G4VMR7_SCHMA Loading...

Putative heat shock protein 70 (Hsp70)-interacting protein

AlphaFold DB , UniProt , Accession G4VMR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 700 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	32.2	Very low	27.3	Very low	76 Å²	76	40.9 Å²	40.9	37%	0.374	22%	0.215	S	C	.	.				0	101.5	0	-59.9	-170.4	-174.8	0	0	107.4	Y213 L448 S451	M1-Y213 VanDerWaalsContact N-CD2 3.35Å; M1-L448 HydrophobicContact CE-CD2 4.36Å; M1-S451 WeakPolarHBondContact CE-OG 3.41Å; M1-S451 WeakPolarHBondContact SD-CB 3.43Å; M1-S451 PolarHBondContact SD-OG 2.82Å
2	S	27	Very low	27	Very low	16 Å²	16	43.7 Å²	43.7	11%	0.112	24%	0.24	C	C	.	.			trans	-76.7	134.9	172.6	55.8	0	0	0	0	108.4	S4 R5	S2-S4 WeakPolarHBondContact CB-OG 3.41Å; S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 PolarHBondContact OG-OG 2.9Å; S2-R5 PolarHBondContact O-N 2.89Å
3	L	29.3	Very low	26.6	Very low	10 Å²	10	52.1 Å²	52.1	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-26.9	179.5	-128.3	83.4	0	0	0	112.8	R5 L6 V7 Q482 L485 L486	L3-R5 PolarHBondContact O-N 3.31Å; L3-R5 VanDerWaalsContact O-N 3.13Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-V7 HydrophobicContact CB-CG2 4.42Å; L3-V7 HydrophobicContact CD2-CG2 3.7Å; L3-V7 HydrophobicContact CG-CG2 3.97Å; L3-V7 WeakPolarHBondContact O-CB 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.3Å; L3-V7 PolarHBondContact O-N 3.43Å; L3-Q482 HydrophobicContact CD1-CB 3.37Å; L3-Q482 HydrophobicContact CD1-CG 3.52Å; L3-Q482 HydrophobicContact CD2-CB 4.38Å; L3-Q482 HydrophobicContact CD2-CG 4.08Å; L3-Q482 HydrophobicContact CG-CG 4.33Å; L3-L485 HydrophobicContact CD2-CD2 3.76Å; L3-L486 HydrophobicContact CD1-CD1 3.77Å; L3-L486 HydrophobicContact CD1-CG 4.2Å; L3-L486 HydrophobicContact CD2-CD2 4.48Å; L3-L486 HydrophobicContact CG-CD1 4.27Å; L3-L486 HydrophobicContact CG-CD2 4.2Å; L3-L486 HydrophobicContact CG-CG 4.3Å
4	S	26.8	Very low	26.2	Very low	16 Å²	16	52 Å²	52	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-45.3	-43.3	172	61	0	0	0	0	111.8	S2 I8	S2-S4 WeakPolarHBondContact CB-OG 3.41Å; S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 PolarHBondContact OG-OG 2.9Å; S4-I8 WeakPolarHBondContact O-CD1 3.31Å; S4-I8 WeakPolarHBondContact O-CG1 3.47Å
5	R	27.2	Very low	25.9	Very low	38 Å²	38	60.1 Å²	60.1	14%	0.143	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-45.5	176.5	-83.2	-168.6	174.5	-165.5	-8.2	114.3	S2 L3 I8 D9 E618	S2-R5 PolarHBondContact O-N 2.89Å; L3-R5 PolarHBondContact O-N 3.31Å; L3-R5 VanDerWaalsContact O-N 3.13Å; R5-I8 WeakPolarHBondContact O-CB 3.22Å; R5-I8 PolarHBondContact O-N 2.84Å; R5-D9 PolarHBondContact O-N 3.39Å; R5-E618 IonicContact CZ-OE2 2.81Å; R5-E618 IonicContact NH1-OE2 2.77Å; R5-E618 PolarHBondContact NH1-OE2 3.46Å; R5-E618 IonicContact NH2-OE2 2.66Å; R5-E618 PolarHBondContact NH2-OE2 2.85Å
6	L	26.8	Very low	25.8	Very low	56 Å²	56	67 Å²	67	29%	0.293	33%	0.327	S	S	.	.	H	α-helix	trans	-83.1	-24.2	-167.7	-134.4	139.9	0	0	0	112.8	L3 I8 L486	L3-L6 PolarHBondContact O-N 3.47Å; L6-I8 VanDerWaalsContact C-N 3.35Å; L6-L486 HydrophobicContact CB-CD1 4.04Å; L6-L486 HydrophobicContact CB-CD2 3.65Å; L6-L486 HydrophobicContact CB-CG 4.45Å; L6-L486 HydrophobicContact CD1-CD1 4.33Å; L6-L486 HydrophobicContact CD2-CB 4.18Å; L6-L486 HydrophobicContact CD2-CD1 3.78Å; L6-L486 HydrophobicContact CD2-CD2 3.6Å; L6-L486 HydrophobicContact CD2-CG 4.01Å; L6-L486 HydrophobicContact CG-CD1 4.25Å; L6-L486 HydrophobicContact CG-CD2 4.22Å
7	V	27.3	Very low	25.7	Very low	11 Å²	11	68.6 Å²	68.6	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-71.5	-29.8	168.6	176.2	0	0	0	0	111.5	L3 N11 L486 Y516	L3-V7 HydrophobicContact CB-CG2 4.42Å; L3-V7 HydrophobicContact CD2-CG2 3.7Å; L3-V7 HydrophobicContact CG-CG2 3.97Å; L3-V7 WeakPolarHBondContact O-CB 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.3Å; L3-V7 PolarHBondContact O-N 3.43Å; V7-N11 PolarHBondContact O-N 2.8Å; V7-L486 HydrophobicContact CG2-CD2 3.98Å; V7-Y516 HydrophobicContact CG1-CE1 4.38Å; V7-Y516 WeakPolarHBondContact CG1-OH 3.31Å
8	I	29.5	Very low	25.7	Very low	34 Å²	34	75.1 Å²	75.1	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-46.1	175.8	-67.5	157.9	0	0	0	110.8	S4 R5 L6 N10 N11 S12 H588	S4-I8 WeakPolarHBondContact O-CD1 3.31Å; S4-I8 WeakPolarHBondContact O-CG1 3.47Å; R5-I8 WeakPolarHBondContact O-CB 3.22Å; R5-I8 PolarHBondContact O-N 2.84Å; L6-I8 VanDerWaalsContact C-N 3.35Å; I8-N10 PolarHBondContact O-N 2.79Å; I8-N11 PolarHBondContact O-N 3.15Å; I8-S12 PolarHBondContact O-N 3.45Å; I8-H588 WeakPolarHBondContact CD1-CE1 3.47Å; I8-H588 VanDerWaalsContact CD1-NE2 3.27Å; I8-H588 WeakPolarHBondContact CD1-NE2 3.1Å
9	D	25.9	Very low	25.5	Very low	58 Å²	58	79.5 Å²	79.5	31%	0.31	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-42.8	-175.6	-72	-26.4	0	0	0	112.3	R5 N11 S12 Y13	R5-D9 PolarHBondContact O-N 3.39Å; D9-N11 VanDerWaalsContact C-N 3.32Å; D9-N11 PolarHBondContact O-N 3.48Å; D9-S12 PolarHBondContact O-N 2.83Å; D9-S12 PolarHBondContact O-OG 3.11Å; D9-Y13 WeakPolarHBondContact O-CD2 3.43Å
10	N	23.7	Very low	25.4	Very low	89 Å²	89	83.8 Å²	83.8	48%	0.476	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-31.1	179.1	-87.8	-11.8	0	0	0	113.4	I8 L486	I8-N10 PolarHBondContact O-N 2.79Å; N10-L486 PolarHBondContact ND2-O 2.99Å
11	N	24.4	Very low	25.4	Very low	46 Å²	46	85 Å²	85	25%	0.246	44%	0.436	C	S	.	.	H	α-helix	trans	-76.9	-25.9	179	-91.2	-5.3	0	0	0	113.5	V7 I8 D9 Y13 S14 Q557 E561	V7-N11 PolarHBondContact O-N 2.8Å; I8-N11 PolarHBondContact O-N 3.15Å; D9-N11 VanDerWaalsContact C-N 3.32Å; D9-N11 PolarHBondContact O-N 3.48Å; N11-Y13 VanDerWaalsContact C-N 3.33Å; N11-Y13 PolarHBondContact O-N 2.76Å; N11-S14 PolarHBondContact O-N 2.93Å; N11-Q557 PolarHBondContact ND2-NE2 2.81Å; N11-E561 PolarHBondContact ND2-OE1 2.79Å
12	S	23.7	Very low	25.1	Very low	74 Å²	74	93 Å²	93	52%	0.517	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-35.2	175.5	76.3	0	0	0	0	112.5	I8 D9	I8-S12 PolarHBondContact O-N 3.45Å; D9-S12 PolarHBondContact O-N 2.83Å; D9-S12 PolarHBondContact O-OG 3.11Å
13	Y	22.3	Very low	25.2	Very low	153 Å²	153	97.8 Å²	97.8	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-76.4	-25.3	179.7	-79.2	-76.9	0	0	0	113.8	D9 N11 W15	D9-Y13 WeakPolarHBondContact O-CD2 3.43Å; N11-Y13 VanDerWaalsContact C-N 3.33Å; N11-Y13 PolarHBondContact O-N 2.76Å; Y13-W15 VanDerWaalsContact C-N 3.31Å; Y13-W15 PolarHBondContact O-N 2.87Å
14	S	20.9	Very low	25.2	Very low	51 Å²	51	100.2 Å²	100.2	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-29.8	-178.1	175.1	0	0	0	0	113.4	N11 K16 S17	N11-S14 PolarHBondContact O-N 2.93Å; S14-K16 VanDerWaalsContact C-N 3.35Å; S14-K16 PolarHBondContact O-N 2.75Å; S14-S17 PolarHBondContact O-N 3.17Å; S14-S17 PolarHBondContact O-OG 2.93Å
15	W	22	Very low	25.4	Very low	173 Å²	173	108.9 Å²	108.9	66%	0.655	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.3	-171.5	-67.8	13.8	0	0	0	113.7	Y13 S17 K595	Y13-W15 VanDerWaalsContact C-N 3.31Å; Y13-W15 PolarHBondContact O-N 2.87Å; W15-S17 VanDerWaalsContact C-N 3.29Å; W15-S17 PolarHBondContact O-N 2.98Å; W15-K595 HydrophobicContact CH2-CD 4.25Å
16	K	24.1	Very low	25.7	Very low	171 Å²	171	116.2 Å²	116.2	74%	0.743	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-18	177.1	-76.8	-174.5	179.1	177.8	0	113.5	S14 D182	S14-K16 VanDerWaalsContact C-N 3.35Å; S14-K16 PolarHBondContact O-N 2.75Å; K16-D182 IonicContact NZ-OD1 2.77Å
17	S	24.2	Very low	26.4	Very low	95 Å²	95	117.6 Å²	117.6	66%	0.664	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-15.9	-173	72.3	0	0	0	0	115.8	S14 W15	S14-S17 PolarHBondContact O-N 3.17Å; S14-S17 PolarHBondContact O-OG 2.93Å; W15-S17 VanDerWaalsContact C-N 3.29Å; W15-S17 PolarHBondContact O-N 2.98Å
18	K	25.5	Very low	26.9	Very low	185 Å²	185	120.1 Å²	120.1	80%	0.804	60%	0.599	S	S	*	*	S	Bend	trans	-96.5	-2.3	-173	-91.3	179.8	177.4	174.1	0	116.5
19	L	22.7	Very low	27.5	Very low	158 Å²	158	122.3 Å²	122.3	83%	0.827	61%	0.614	S	S	*	*			trans	-92.2	4.6	-174.4	-141.4	89.2	0	0	0	116.1	S21	L19-S21 PolarHBondContact O-N 3.45Å
20	L	22.1	Very low	28.4	Very low	165 Å²	165	125 Å²	125	86%	0.864	63%	0.633	S	S	*	*			trans	-99.5	81.2	174.5	-72.7	170.4	0	0	0	110.6	R22	L20-R22 PolarHBondContact O-N 2.69Å
21	S	25.1	Very low	29.4	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	64%	0.64	S	S	*	*			trans	-59	110.4	164.1	65.4	0	0	0	0	109.1	L19 V23	L19-S21 PolarHBondContact O-N 3.45Å; S21-V23 PolarHBondContact O-N 3.04Å
22	R	26.9	Very low	30.3	Very low	245 Å²	245	126.1 Å²	126.1	93%	0.925	65%	0.646	S	S	*	*			trans	-66.2	99.8	175.7	-80	179.9	170.7	173.6	-2.3	108.7	L20 S24	L20-R22 PolarHBondContact O-N 2.69Å; R22-S24 PolarHBondContact O-N 3.09Å; R22-S24 VanDerWaalsContact O-N 3.13Å
23	V	28.6	Very low	31.2	Very low	117 Å²	117	127.9 Å²	127.9	71%	0.709	65%	0.649	S	S	*	*			trans	-60.3	116.2	163.4	177.9	0	0	0	0	107.3	S21 W25	S21-V23 PolarHBondContact O-N 3.04Å; V23-W25 PolarHBondContact O-N 2.91Å; V23-W25 VanDerWaalsContact O-N 3.13Å
24	S	30.1	Very low	32.2	Very low	61 Å²	61	125.3 Å²	125.3	43%	0.427	65%	0.651	S	S	.	*			trans	-56	115.3	179.5	174.3	0	0	0	0	109.8	R22 R26 T27	R22-S24 PolarHBondContact O-N 3.09Å; R22-S24 VanDerWaalsContact O-N 3.13Å; S24-R26 PolarHBondContact O-N 3.47Å; S24-R26 PolarHBondContact OG-N 2.99Å; S24-T27 PolarHBondContact O-N 2.96Å; S24-T27 PolarHBondContact O-OG1 2.75Å
25	W	30.9	Very low	33.4	Very low	198 Å²	198	128.9 Å²	128.9	75%	0.75	67%	0.665	S	S	*	*	H	α-helix	trans	-46.8	-20.9	172.5	67.1	-52.3	0	0	0	114.5	V23 T27 A28 V29	V23-W25 PolarHBondContact O-N 2.91Å; V23-W25 VanDerWaalsContact O-N 3.13Å; W25-T27 PolarHBondContact O-N 3.31Å; W25-A28 PolarHBondContact O-N 3.41Å; W25-V29 WeakPolarHBondContact O-CG2 3.15Å; W25-V29 PolarHBondContact O-N 3.32Å
26	R	33.7	Very low	34.7	Very low	191 Å²	191	122.4 Å²	122.4	72%	0.721	65%	0.652	S	S	*	*	H	α-helix	trans	-66.3	-29.7	174.6	-67.9	-175.2	171.2	178.9	-2.6	114	S24	S24-R26 PolarHBondContact O-N 3.47Å; S24-R26 PolarHBondContact OG-N 2.99Å
27	T	40.6	Very low	36	Very low	85 Å²	85	119.8 Å²	119.8	52%	0.521	65%	0.645	S	S	.	*	H	α-helix	trans	-81.7	-22.4	174.7	40.1	0	0	0	0	113.2	S24 W25 T30	S24-T27 PolarHBondContact O-N 2.96Å; S24-T27 PolarHBondContact O-OG1 2.75Å; W25-T27 PolarHBondContact O-N 3.31Å; T27-T30 PolarHBondContact O-OG1 2.85Å
28	A	38.4	Very low	37.4	Very low	64 Å²	64	117.9 Å²	117.9	53%	0.529	64%	0.635	S	S	.	*	H	α-helix	trans	-73.6	-31.5	174.5	0	0	0	0	0	112.6	W25 G32	W25-A28 PolarHBondContact O-N 3.41Å; A28-G32 PolarHBondContact O-N 2.83Å
29	V	41.9	Very low	38.8	Very low	81 Å²	81	111 Å²	111	49%	0.491	62%	0.617	S	S	.	*	H	α-helix	trans	-73.2	-31.4	-176.3	174.2	0	0	0	0	112.6	W25 I33	W25-V29 WeakPolarHBondContact O-CG2 3.15Å; W25-V29 PolarHBondContact O-N 3.32Å; V29-I33 HydrophobicContact CG1-CD1 4.28Å
30	T	44.4	Very low	40.4	Very low	114 Å²	114	108.9 Å²	108.9	70%	0.699	61%	0.606	S	S	*	*	H	α-helix	trans	-78.4	-22.8	-177.5	49	0	0	0	0	114.2	T27	T27-T30 PolarHBondContact O-OG1 2.85Å
31	I	44.4	Very low	42.2	Very low	122 Å²	122	105.1 Å²	105.1	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-98	-23.7	177.9	-56.4	177	0	0	0	111.4
32	G	43.3	Very low	44.1	Very low	37 Å²	37	104.7 Å²	104.7	38%	0.381	58%	0.582	S	S	.	*	H	α-helix	trans	-78.3	-21.1	-171.3	0	0	0	0	0	116.9	A28 G36	A28-G32 PolarHBondContact O-N 2.83Å; G32-G36 PolarHBondContact O-N 2.78Å
33	I	42.4	Very low	45.9	Very low	110 Å²	110	97.3 Å²	97.3	56%	0.564	56%	0.56	S	S	*	*	H	α-helix	trans	-74.8	-41.9	-169.4	-61.1	173.4	0	0	0	113.2	V29	V29-I33 HydrophobicContact CG1-CD1 4.28Å
34	P	44.2	Very low	48	Very low	99 Å²	99	95.8 Å²	95.8	64%	0.643	55%	0.551	S	S	*	*	H	α-helix	trans	-74.6	-36	178.6	-17.9	32.6	0	0	0	113.6
35	L	45.3	Very low	49.8	Very low	127 Å²	127	100.8 Å²	100.8	67%	0.665	56%	0.562	S	S	*	*	H	α-helix	trans	-72.2	-31.4	176.6	-85.4	154.3	0	0	0	112.3	G39	L35-G39 PolarHBondContact O-N 3.13Å
36	G	49.3	Very low	51.7	Low	37 Å²	37	98.2 Å²	98.2	38%	0.381	55%	0.553	S	S	.	*	H	α-helix	trans	-61.7	-42.7	176.5	0	0	0	0	0	113	G32 L40	G32-G36 PolarHBondContact O-N 2.78Å; G36-L40 VanDerWaalsContact O-CB 3.3Å; G36-L40 WeakPolarHBondContact O-CB 3.39Å; G36-L40 PolarHBondContact O-N 3.11Å
37	I	52.9	Low	53.4	Low	116 Å²	116	93.7 Å²	93.7	60%	0.595	54%	0.543	S	S	*	.	H	α-helix	trans	-73.6	-43.5	-177	-58.9	170.8	0	0	0	111.1	L40 T41	I37-L40 PolarHBondContact O-N 3.41Å; I37-T41 WeakPolarHBondContact O-CG2 3.24Å; I37-T41 PolarHBondContact O-N 2.73Å; I37-T41 PolarHBondContact O-OG1 3.06Å
38	A	52.3	Low	54.4	Low	55 Å²	55	97.3 Å²	97.3	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-64.8	-43	175.4	0	0	0	0	0	111.6	L40 T41 V42	A38-L40 PolarHBondContact O-N 2.86Å; A38-T41 PolarHBondContact O-N 3.21Å; A38-T41 PolarHBondContact O-OG1 3.47Å; A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 3.41Å
39	G	55.4	Low	55.5	Low	40 Å²	40	97.3 Å²	97.3	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-61.3	-40.5	173.4	0	0	0	0	0	112.8	L35 L43	L35-G39 PolarHBondContact O-N 3.13Å; G39-L43 WeakPolarHBondContact O-CB 3.12Å; G39-L43 PolarHBondContact O-N 3.06Å
40	L	55.2	Low	56.2	Low	114 Å²	114	99.5 Å²	99.5	60%	0.597	54%	0.541	S	S	*	.	H	α-helix	trans	-66.9	-40.5	176.9	-140.2	88.2	0	0	0	111.5	G36 I37 A38 L43 V44	G36-L40 VanDerWaalsContact O-CB 3.3Å; G36-L40 WeakPolarHBondContact O-CB 3.39Å; G36-L40 PolarHBondContact O-N 3.11Å; I37-L40 PolarHBondContact O-N 3.41Å; A38-L40 PolarHBondContact O-N 2.86Å; L40-L43 PolarHBondContact O-N 3.21Å; L40-V44 VanDerWaalsContact O-CB 3.28Å; L40-V44 WeakPolarHBondContact O-CB 3.15Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.21Å
41	T	60.4	Low	56.4	Low	86 Å²	86	101.7 Å²	101.7	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-68.5	-40.9	178.1	57.3	0	0	0	0	112.5	I37 A38 V44 Y45	I37-T41 WeakPolarHBondContact O-CG2 3.24Å; I37-T41 PolarHBondContact O-N 2.73Å; I37-T41 PolarHBondContact O-OG1 3.06Å; A38-T41 PolarHBondContact O-N 3.21Å; A38-T41 PolarHBondContact O-OG1 3.47Å; T41-V44 PolarHBondContact O-N 3.21Å; T41-Y45 VanDerWaalsContact O-CB 3.3Å; T41-Y45 WeakPolarHBondContact O-CB 3.4Å; T41-Y45 PolarHBondContact O-N 3.03Å
42	V	65.4	Low	56.5	Low	99 Å²	99	101 Å²	101	60%	0.6	53%	0.53	S	S	*	.	H	α-helix	trans	-66.7	-39.3	173.4	174	0	0	0	0	110.8	A38 Y45 Y46	A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 3.41Å; V42-Y45 PolarHBondContact O-N 3.36Å; V42-Y46 WeakPolarHBondContact O-CB 3.48Å; V42-Y46 PolarHBondContact O-N 3.35Å
43	L	64.8	Low	56.8	Low	91 Å²	91	107 Å²	107	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-68.2	-40.9	175.9	-173.9	67.6	0	0	0	111.4	G39 L40 Y46 L47	G39-L43 WeakPolarHBondContact O-CB 3.12Å; G39-L43 PolarHBondContact O-N 3.06Å; L40-L43 PolarHBondContact O-N 3.21Å; L43-Y46 PolarHBondContact O-N 3.36Å; L43-L47 HydrophobicContact CD1-CD1 4.25Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CD2-CD1 4.37Å; L43-L47 HydrophobicContact CG-CD1 3.83Å; L43-L47 HydrophobicContact CG-CG 4.14Å; L43-L47 WeakPolarHBondContact O-CA 3.35Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 WeakPolarHBondContact O-CG 3.14Å; L43-L47 PolarHBondContact O-N 3.49Å
44	V	71.8	Confident	57.1	Low	84 Å²	84	105 Å²	105	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-65.5	-42.7	175.3	168.2	0	0	0	0	110.3	L40 T41 R48	L40-V44 VanDerWaalsContact O-CB 3.28Å; L40-V44 WeakPolarHBondContact O-CB 3.15Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.21Å; T41-V44 PolarHBondContact O-N 3.21Å; V44-R48 WeakPolarHBondContact O-CB 3.3Å; V44-R48 PolarHBondContact O-N 3.5Å
45	Y	69.5	Low	57	Low	166 Å²	166	105.1 Å²	105.1	65%	0.651	53%	0.533	S	S	*	.	H	α-helix	trans	-63.8	-44.8	174.5	-176.8	-99.7	0	0	0	111.6	T41 V42 R48 N49	T41-Y45 VanDerWaalsContact O-CB 3.3Å; T41-Y45 WeakPolarHBondContact O-CB 3.4Å; T41-Y45 PolarHBondContact O-N 3.03Å; V42-Y45 PolarHBondContact O-N 3.36Å; Y45-R48 PolarHBondContact O-N 3.02Å; Y45-N49 WeakPolarHBondContact O-CB 3.11Å; Y45-N49 PolarHBondContact O-N 3.11Å
46	Y	69.4	Low	57	Low	144 Å²	144	101.9 Å²	101.9	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-41.8	177.7	-173.5	-100.6	0	0	0	112.1	V42 L43 K50	V42-Y46 WeakPolarHBondContact O-CB 3.48Å; V42-Y46 PolarHBondContact O-N 3.35Å; L43-Y46 PolarHBondContact O-N 3.36Å; Y46-K50 HydrophobicContact CE1-CD 4.28Å; Y46-K50 WeakPolarHBondContact O-CB 3.13Å; Y46-K50 PolarHBondContact O-N 2.8Å
47	L	69.2	Low	56.9	Low	97 Å²	97	109 Å²	109	51%	0.508	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-38.7	175.2	-73.3	175.2	0	0	0	111.3	L43 R51	L43-L47 HydrophobicContact CD1-CD1 4.25Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CD2-CD1 4.37Å; L43-L47 HydrophobicContact CG-CD1 3.83Å; L43-L47 HydrophobicContact CG-CG 4.14Å; L43-L47 WeakPolarHBondContact O-CA 3.35Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 WeakPolarHBondContact O-CG 3.14Å; L43-L47 PolarHBondContact O-N 3.49Å; L47-R51 WeakPolarHBondContact O-CB 3.12Å; L47-R51 PolarHBondContact O-N 3.37Å
48	R	63.1	Low	56.7	Low	161 Å²	161	108.5 Å²	108.5	61%	0.608	55%	0.546	S	S	*	.	H	α-helix	trans	-67.3	-45.8	176.1	-172.8	175.4	-175.2	143.5	1.8	111.3	V44 Y45 K50 R51 E52	V44-R48 WeakPolarHBondContact O-CB 3.3Å; V44-R48 PolarHBondContact O-N 3.5Å; Y45-R48 PolarHBondContact O-N 3.02Å; R48-K50 VanDerWaalsContact C-N 3.34Å; R48-K50 PolarHBondContact O-N 2.88Å; R48-R51 CarbonylContact O-C 3.59Å; R48-R51 WeakPolarHBondContact O-CB 3.49Å; R48-R51 PolarHBondContact O-N 3.37Å; R48-R51 VanDerWaalsContact O-N 3.15Å; R48-E52 IonicContact NE-OE1 3.14Å; R48-E52 WeakPolarHBondContact O-CB 3.2Å; R48-E52 WeakPolarHBondContact O-CG 3.44Å; R48-E52 PolarHBondContact O-N 3.37Å
49	N	61.8	Low	56.8	Low	63 Å²	63	111 Å²	111	34%	0.337	56%	0.556	S	S	.	*	H	α-helix	trans	-68.6	-33.9	177.5	-158.2	4.1	0	0	0	111.7	Y45 K53	Y45-N49 WeakPolarHBondContact O-CB 3.11Å; Y45-N49 PolarHBondContact O-N 3.11Å; N49-K53 WeakPolarHBondContact O-CB 3.11Å; N49-K53 WeakPolarHBondContact O-CG 3.42Å; N49-K53 PolarHBondContact O-N 3.31Å
50	K	55.8	Low	56.9	Low	127 Å²	127	112.4 Å²	112.4	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-71.7	-33.3	171.1	-163.9	175.6	-174.1	176.9	0	112	Y46 R48 S54	Y46-K50 HydrophobicContact CE1-CD 4.28Å; Y46-K50 WeakPolarHBondContact O-CB 3.13Å; Y46-K50 PolarHBondContact O-N 2.8Å; R48-K50 VanDerWaalsContact C-N 3.34Å; R48-K50 PolarHBondContact O-N 2.88Å; K50-S54 VanDerWaalsContact O-CB 3.24Å; K50-S54 WeakPolarHBondContact O-CB 3.31Å; K50-S54 PolarHBondContact O-N 3.38Å; K50-S54 PolarHBondContact O-OG 3.27Å
51	R	48	Very low	57.6	Low	160 Å²	160	115.2 Å²	115.2	60%	0.604	57%	0.568	S	S	*	*	H	α-helix	trans	-67	-47.7	173.9	-164.2	179.5	-158.5	159.1	8.1	110.2	L47 R48 K53 S54 E55	L47-R51 WeakPolarHBondContact O-CB 3.12Å; L47-R51 PolarHBondContact O-N 3.37Å; R48-R51 CarbonylContact O-C 3.59Å; R48-R51 WeakPolarHBondContact O-CB 3.49Å; R48-R51 PolarHBondContact O-N 3.37Å; R48-R51 VanDerWaalsContact O-N 3.15Å; R51-K53 PolarHBondContact O-N 2.95Å; R51-S54 WeakPolarHBondContact CA-OG 3.46Å; R51-S54 CarbonylContact O-C 3.46Å; R51-S54 WeakPolarHBondContact O-CA 3.33Å; R51-S54 PolarHBondContact O-N 3.5Å; R51-S54 PolarHBondContact O-OG 2.95Å; R51-E55 HydrophobicContact CG-CG 4.24Å; R51-E55 WeakPolarHBondContact CG-OE1 3.44Å; R51-E55 IonicContact NE-OE1 3.51Å; R51-E55 PolarHBondContact NE-OE1 3.13Å; R51-E55 VanDerWaalsContact NE-OE1 3.11Å; R51-E55 VanDerWaalsContact O-CB 3.31Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 PolarHBondContact O-N 3.49Å
52	E	47	Very low	58.8	Low	109 Å²	109	114.1 Å²	114.1	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-39	174.7	-74.2	170.9	-169.9	0	0	111.8	R48 S54 A56	R48-E52 IonicContact NE-OE1 3.14Å; R48-E52 WeakPolarHBondContact O-CB 3.2Å; R48-E52 WeakPolarHBondContact O-CG 3.44Å; R48-E52 PolarHBondContact O-N 3.37Å; E52-S54 VanDerWaalsContact C-N 3.32Å; E52-S54 PolarHBondContact O-N 3.47Å; E52-A56 PolarHBondContact O-N 3.26Å; E52-A56 VanDerWaalsContact O-N 3.07Å
53	K	48.7	Very low	59.8	Low	162 Å²	162	113.5 Å²	113.5	70%	0.704	56%	0.559	S	S	*	*	H	α-helix	trans	-70.9	-21.2	170.6	-77.8	-175	176.6	-175.9	0	114.8	N49 R51	N49-K53 WeakPolarHBondContact O-CB 3.11Å; N49-K53 WeakPolarHBondContact O-CG 3.42Å; N49-K53 PolarHBondContact O-N 3.31Å; R51-K53 PolarHBondContact O-N 2.95Å
54	S	49.5	Very low	60.9	Low	68 Å²	68	111.7 Å²	111.7	48%	0.476	55%	0.55	S	S	.	*	H	α-helix	trans	-96.5	-18.9	178	73.3	0	0	0	0	114.2	K50 R51 E52	K50-S54 VanDerWaalsContact O-CB 3.24Å; K50-S54 WeakPolarHBondContact O-CB 3.31Å; K50-S54 PolarHBondContact O-N 3.38Å; K50-S54 PolarHBondContact O-OG 3.27Å; R51-S54 WeakPolarHBondContact CA-OG 3.46Å; R51-S54 CarbonylContact O-C 3.46Å; R51-S54 WeakPolarHBondContact O-CA 3.33Å; R51-S54 PolarHBondContact O-N 3.5Å; R51-S54 PolarHBondContact O-OG 2.95Å; E52-S54 VanDerWaalsContact C-N 3.32Å; E52-S54 PolarHBondContact O-N 3.47Å
55	E	42.7	Very low	61.8	Low	101 Å²	101	110.8 Å²	110.8	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-102.2	-7.1	178.8	-75.8	176.6	-178	0	0	112.4	R51 E57	R51-E55 HydrophobicContact CG-CG 4.24Å; R51-E55 WeakPolarHBondContact CG-OE1 3.44Å; R51-E55 IonicContact NE-OE1 3.51Å; R51-E55 PolarHBondContact NE-OE1 3.13Å; R51-E55 VanDerWaalsContact NE-OE1 3.11Å; R51-E55 VanDerWaalsContact O-CB 3.31Å; R51-E55 WeakPolarHBondContact O-CB 3.46Å; R51-E55 PolarHBondContact O-N 3.49Å; E55-E57 PolarHBondContact O-N 3.04Å
56	A	45.9	Very low	62.8	Low	59 Å²	59	103.6 Å²	103.6	49%	0.488	52%	0.515	S	S	.	.	S	Bend	trans	-56	101.1	153.8	0	0	0	0	0	106.2	E52 L58	E52-A56 PolarHBondContact O-N 3.26Å; E52-A56 VanDerWaalsContact O-N 3.07Å; A56-L58 PolarHBondContact O-N 2.86Å
57	E	46.9	Very low	63.9	Low	187 Å²	187	96.8 Å²	96.8	87%	0.874	49%	0.488	S	S	*	.			trans	-57.7	86.3	172.3	-76.6	-179.7	146.5	0	0	106.7	E55 T59	E55-E57 PolarHBondContact O-N 3.04Å; E57-T59 VanDerWaalsContact C-N 3.34Å; E57-T59 PolarHBondContact O-N 3.2Å
58	L	48.4	Very low	65	Low	105 Å²	105	94.6 Å²	94.6	55%	0.55	48%	0.477	S	S	.	.			trans	-57.2	107.3	168.3	-122.2	87.5	0	0	0	104.2	A56 P60 E65	A56-L58 PolarHBondContact O-N 2.86Å; L58-P60 WeakPolarHBondContact O-CD 3.36Å; L58-E65 HydrophobicContact CD2-CB 4.49Å; L58-E65 HydrophobicContact CD2-CG 4.08Å
59	T	53.7	Low	66.3	Low	107 Å²	107	89.2 Å²	89.2	66%	0.656	47%	0.467	S	S	*	.			trans	-57.2	108.9	159	44.4	0	0	0	0	104.9	E57 E61	E57-T59 VanDerWaalsContact C-N 3.34Å; E57-T59 PolarHBondContact O-N 3.2Å; T59-E61 PolarHBondContact O-N 3.3Å
60	P	58.3	Low	67.8	Low	70 Å²	70	87.2 Å²	87.2	46%	0.455	46%	0.456	S	S	.	.			trans	-70.3	111.6	-169.1	26.3	-30.7	0	0	0	108.6	L58 E65 A66	L58-P60 WeakPolarHBondContact O-CD 3.36Å; P60-E65 HydrophobicContact CB-CB 4.09Å; P60-A66 HydrophobicContact CB-CB 3.75Å; P60-A66 HydrophobicContact CG-CB 4.08Å
61	E	70.1	Confident	69.6	Low	174 Å²	174	83 Å²	83	81%	0.813	44%	0.438	S	S	*	.			trans	-84	-28	-179.6	-65.5	-172.8	174.4	0	0	110.7	T59 E65	T59-E61 PolarHBondContact O-N 3.3Å; E61-E65 PolarHBondContact N-OE2 3.03Å; E61-E65 VanDerWaalsContact N-OE2 3.09Å
62	T	84.2	Confident	71.8	Confident	63 Å²	63	79.7 Å²	79.7	39%	0.387	43%	0.432	S	S	.	.	S	Bend	trans	-111.6	151.6	179.6	67.3	0	0	0	0	112.9	L64 E65 A66	T62-L64 PolarHBondContact O-N 3.03Å; T62-E65 PolarHBondContact N-OE2 3.07Å; T62-E65 VanDerWaalsContact N-OE2 3.11Å; T62-E65 PolarHBondContact O-N 2.83Å; T62-E65 WeakPolarHBondContact OG1-CB 3.38Å; T62-E65 VanDerWaalsContact OG1-CD 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.45Å; T62-E65 PolarHBondContact OG1-N 2.97Å; T62-E65 PolarHBondContact OG1-OE2 3.36Å; T62-E65 VanDerWaalsContact OG1-OE2 3.13Å; T62-A66 PolarHBondContact O-N 3.25Å
63	P	87	Confident	74.1	Confident	85 Å²	85	79.9 Å²	79.9	55%	0.552	43%	0.431	S	S	*	.	H	α-helix	trans	-56.1	-33.5	174	-26.2	34.6	0	0	0	113.5	A67 P98	P63-A67 PolarHBondContact O-N 3.05Å; P63-P98 HydrophobicContact CB-CG 4.19Å
64	L	88.7	Confident	76.3	Confident	54 Å²	54	72.1 Å²	72.1	28%	0.283	40%	0.397	S	S	.	.	H	α-helix	trans	-67.8	-46.6	177.3	-176.7	60.7	0	0	0	111.9	T62 A66 A67 L68 P98 A101 E104	T62-L64 PolarHBondContact O-N 3.03Å; L64-A66 VanDerWaalsContact C-N 3.31Å; L64-A66 PolarHBondContact O-N 3.3Å; L64-A67 WeakPolarHBondContact O-CB 3.25Å; L64-A67 PolarHBondContact O-N 3.33Å; L64-L68 HydrophobicContact CD1-CG 4.45Å; L64-L68 HydrophobicContact CG-CD1 4.21Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.1Å; L64-P98 HydrophobicContact CB-CG 4.25Å; L64-A101 HydrophobicContact CD1-CB 3.75Å; L64-E104 HydrophobicContact CD1-CB 4.26Å; L64-E104 HydrophobicContact CD1-CG 4.07Å
65	E	89.6	Confident	78.4	Confident	64 Å²	64	71.1 Å²	71.1	30%	0.299	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-41	175.7	-73.9	164.3	167.5	0	0	111.6	L58 P60 E61 T62 A67 L68 A69	L58-E65 HydrophobicContact CD2-CB 4.49Å; L58-E65 HydrophobicContact CD2-CG 4.08Å; P60-E65 HydrophobicContact CB-CB 4.09Å; E61-E65 PolarHBondContact N-OE2 3.03Å; E61-E65 VanDerWaalsContact N-OE2 3.09Å; T62-E65 PolarHBondContact N-OE2 3.07Å; T62-E65 VanDerWaalsContact N-OE2 3.11Å; T62-E65 PolarHBondContact O-N 2.83Å; T62-E65 WeakPolarHBondContact OG1-CB 3.38Å; T62-E65 VanDerWaalsContact OG1-CD 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.45Å; T62-E65 PolarHBondContact OG1-N 2.97Å; T62-E65 PolarHBondContact OG1-OE2 3.36Å; T62-E65 VanDerWaalsContact OG1-OE2 3.13Å; E65-A67 VanDerWaalsContact C-N 3.3Å; E65-A67 PolarHBondContact O-N 3.2Å; E65-L68 PolarHBondContact O-N 3.39Å; E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 2.9Å
66	A	90.1	Very high	80.9	Confident	16 Å²	16	73 Å²	73	13%	0.132	39%	0.393	C	S	.	.	H	α-helix	trans	-59.4	-42.7	174.7	0	0	0	0	0	111.5	P60 T62 L64 L70 K96	P60-A66 HydrophobicContact CB-CB 3.75Å; P60-A66 HydrophobicContact CG-CB 4.08Å; T62-A66 PolarHBondContact O-N 3.25Å; L64-A66 VanDerWaalsContact C-N 3.31Å; L64-A66 PolarHBondContact O-N 3.3Å; A66-L70 WeakPolarHBondContact O-CG 3.49Å; A66-L70 PolarHBondContact O-N 3.24Å; A66-K96 HydrophobicContact CB-CD 4.05Å
67	A	92.5	Very high	83.3	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-63.6	-49.2	174.1	0	0	0	0	0	110.8	P63 L64 E65 A69 L70 K71 K96 C97 F108	P63-A67 PolarHBondContact O-N 3.05Å; L64-A67 WeakPolarHBondContact O-CB 3.25Å; L64-A67 PolarHBondContact O-N 3.33Å; E65-A67 VanDerWaalsContact C-N 3.3Å; E65-A67 PolarHBondContact O-N 3.2Å; A67-A69 VanDerWaalsContact C-N 3.3Å; A67-A69 PolarHBondContact O-N 3.34Å; A67-L70 CarbonylContact O-C 3.58Å; A67-L70 WeakPolarHBondContact O-CA 3.47Å; A67-L70 WeakPolarHBondContact O-CB 3.43Å; A67-L70 PolarHBondContact O-N 3.41Å; A67-K71 PolarHBondContact O-N 3.02Å; A67-K96 HydrophobicContact CB-CB 4.17Å; A67-C97 HydrophobicContact CB-CB 3.9Å; A67-F108 HydrophobicContact CB-CE2 4.01Å; A67-F108 HydrophobicContact CB-CZ 3.94Å; A67-F108 VanDerWaalsContact O-CZ 3.25Å; A67-F108 WeakPolarHBondContact O-CZ 3.32Å
68	L	92.5	Very high	85.6	Confident	51 Å²	51	66.4 Å²	66.4	27%	0.267	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-37.2	-179.6	-68.9	175.9	0	0	0	112.8	L64 E65 K71 L72 E104	L64-L68 HydrophobicContact CD1-CG 4.45Å; L64-L68 HydrophobicContact CG-CD1 4.21Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.1Å; E65-L68 PolarHBondContact O-N 3.39Å; L68-K71 WeakPolarHBondContact O-CB 3.46Å; L68-K71 PolarHBondContact O-N 3.44Å; L68-L72 WeakPolarHBondContact O-CG 3.43Å; L68-L72 PolarHBondContact O-N 3.37Å; L68-E104 HydrophobicContact CD2-CG 4.05Å
69	A	91.4	Very high	87.8	Confident	48 Å²	48	70.2 Å²	70.2	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-43.8	172.5	0	0	0	0	0	111.7	E65 A67 K71 L72 K73	E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 2.9Å; A67-A69 VanDerWaalsContact C-N 3.3Å; A67-A69 PolarHBondContact O-N 3.34Å; A69-K71 PolarHBondContact O-N 3.08Å; A69-L72 PolarHBondContact O-N 3.02Å; A69-K73 PolarHBondContact O-N 3Å
70	L	93.9	Very high	89.8	Confident	22 Å²	22	67.8 Å²	67.8	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-39.8	173.5	-70.7	170.9	0	0	0	112.1	A66 A67 L72 K73 G74 L89 E92 K96	A66-L70 WeakPolarHBondContact O-CG 3.49Å; A66-L70 PolarHBondContact O-N 3.24Å; A67-L70 CarbonylContact O-C 3.58Å; A67-L70 WeakPolarHBondContact O-CA 3.47Å; A67-L70 WeakPolarHBondContact O-CB 3.43Å; A67-L70 PolarHBondContact O-N 3.41Å; L70-L72 PolarHBondContact O-N 2.79Å; L70-K73 PolarHBondContact O-N 2.84Å; L70-G74 PolarHBondContact O-N 3.44Å; L70-L89 HydrophobicContact CD2-CD2 4.06Å; L70-E92 HydrophobicContact CD1-CB 3.95Å; L70-K96 HydrophobicContact CD1-CD 3.77Å; L70-K96 HydrophobicContact CD1-CG 4.45Å
71	K	93.5	Very high	91.5	Very high	39 Å²	39	66.2 Å²	66.2	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-59	-45.6	173.6	-169.5	179	67.6	-176.5	0	111.5	A67 L68 A69 G74 N75 F108	A67-K71 PolarHBondContact O-N 3.02Å; L68-K71 WeakPolarHBondContact O-CB 3.46Å; L68-K71 PolarHBondContact O-N 3.44Å; A69-K71 PolarHBondContact O-N 3.08Å; K71-G74 PolarHBondContact O-N 2.92Å; K71-N75 WeakPolarHBondContact O-CB 3.31Å; K71-N75 PolarHBondContact O-N 3.36Å; K71-N75 PolarHBondContact O-ND2 3.44Å; K71-N75 PolarHBondContact O-OD1 3.31Å; K71-F108 HydrophobicContact CB-CD1 4.36Å; K71-F108 HydrophobicContact CB-CE1 3.56Å; K71-F108 HydrophobicContact CB-CZ 3.68Å; K71-F108 HydrophobicContact CD-CE1 4.5Å; K71-F108 HydrophobicContact CD-CZ 4.48Å; K71-F108 HydrophobicContact CG-CD1 4.33Å; K71-F108 HydrophobicContact CG-CE1 4.01Å; K71-F108 HydrophobicContact CG-CZ 4.33Å
72	L	94.1	Very high	92.7	Very high	90 Å²	90	62.7 Å²	62.7	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-42	178.2	-71.4	174.8	0	0	0	111.6	L68 A69 L70 N75 K76	L68-L72 WeakPolarHBondContact O-CG 3.43Å; L68-L72 PolarHBondContact O-N 3.37Å; A69-L72 PolarHBondContact O-N 3.02Å; L70-L72 PolarHBondContact O-N 2.79Å; L72-N75 PolarHBondContact O-N 3.27Å; L72-K76 PolarHBondContact O-N 3.07Å; L72-K76 VanDerWaalsContact O-N 3.11Å
73	K	93.8	Very high	93.3	Very high	112 Å²	112	62.6 Å²	62.6	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-48.5	173.6	-166.7	178.3	177	179.7	0	110.7	A69 L70 N75 K76 F77 L89	A69-K73 PolarHBondContact O-N 3Å; L70-K73 PolarHBondContact O-N 2.84Å; K73-N75 VanDerWaalsContact C-N 3.32Å; K73-N75 PolarHBondContact O-N 2.94Å; K73-K76 WeakPolarHBondContact O-CB 3.05Å; K73-K76 PolarHBondContact O-N 3.4Å; K73-F77 HydrophobicContact CG-CD2 4.17Å; K73-F77 HydrophobicContact CG-CE2 3.91Å; K73-F77 VanDerWaalsContact O-CD2 3.31Å; K73-F77 WeakPolarHBondContact O-CD2 3.29Å; K73-F77 PolarHBondContact O-N 3.18Å; K73-F77 VanDerWaalsContact O-N 3.13Å; K73-L89 HydrophobicContact CB-CD1 4.27Å; K73-L89 HydrophobicContact CD-CD1 4.19Å; K73-L89 HydrophobicContact CD-CD2 3.98Å; K73-L89 HydrophobicContact CG-CD1 3.84Å; K73-L89 HydrophobicContact CG-CD2 4.46Å
74	G	94.5	Very high	93.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-42.4	175.9	0	0	0	0	0	112.6	L70 K71 K76 F77 F78 A86 Y90	L70-G74 PolarHBondContact O-N 3.44Å; K71-G74 PolarHBondContact O-N 2.92Å; G74-K76 VanDerWaalsContact C-N 3.3Å; G74-K76 PolarHBondContact O-N 3.33Å; G74-F77 PolarHBondContact O-N 2.84Å; G74-F78 WeakPolarHBondContact O-CB 3.35Å; G74-F78 PolarHBondContact O-N 3.21Å; G74-A86 WeakPolarHBondContact O-CB 3.42Å; G74-Y90 PolarHBondContact O-OH 2.92Å
75	N	95.2	Very high	94.1	Very high	46 Å²	46	64.3 Å²	64.3	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-32.9	175.2	-69.9	-12.9	0	0	0	112.8	K71 L72 K73 K79 Y90 N111	K71-N75 WeakPolarHBondContact O-CB 3.31Å; K71-N75 PolarHBondContact O-N 3.36Å; K71-N75 PolarHBondContact O-ND2 3.44Å; K71-N75 PolarHBondContact O-OD1 3.31Å; L72-N75 PolarHBondContact O-N 3.27Å; K73-N75 VanDerWaalsContact C-N 3.32Å; K73-N75 PolarHBondContact O-N 2.94Å; N75-K79 WeakPolarHBondContact O-CG 3.47Å; N75-K79 PolarHBondContact O-N 2.9Å; N75-Y90 PolarHBondContact N-OH 2.81Å; N75-Y90 PolarHBondContact OD1-OH 3.24Å; N75-N111 PolarHBondContact OD1-ND2 2.76Å
76	K	94.7	Very high	94.4	Very high	141 Å²	141	61.3 Å²	61.3	61%	0.613	33%	0.326	S	S	*	.	H	α-helix	trans	-65.4	-47.3	173.3	-69.6	178.1	-179.7	-179	0	110.5	L72 K73 G74 F78 K79 G80	L72-K76 PolarHBondContact O-N 3.07Å; L72-K76 VanDerWaalsContact O-N 3.11Å; K73-K76 WeakPolarHBondContact O-CB 3.05Å; K73-K76 PolarHBondContact O-N 3.4Å; G74-K76 VanDerWaalsContact C-N 3.3Å; G74-K76 PolarHBondContact O-N 3.33Å; K76-F78 PolarHBondContact O-N 3.14Å; K76-K79 PolarHBondContact O-N 2.66Å; K76-G80 PolarHBondContact O-N 3.39Å
77	F	95.7	Very high	94.8	Very high	53 Å²	53	61.4 Å²	61.4	23%	0.232	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-41.5	175.6	-79.9	-81.1	0	0	0	112.5	K73 G74 K79 G80 G81 Q82 Q85 A86 L89	K73-F77 HydrophobicContact CG-CD2 4.17Å; K73-F77 HydrophobicContact CG-CE2 3.91Å; K73-F77 VanDerWaalsContact O-CD2 3.31Å; K73-F77 WeakPolarHBondContact O-CD2 3.29Å; K73-F77 PolarHBondContact O-N 3.18Å; K73-F77 VanDerWaalsContact O-N 3.13Å; G74-F77 PolarHBondContact O-N 2.84Å; F77-K79 PolarHBondContact O-N 2.86Å; F77-G80 CarbonylContact O-C 3.56Å; F77-G80 WeakPolarHBondContact O-CA 3.42Å; F77-G80 PolarHBondContact O-N 3.18Å; F77-G80 VanDerWaalsContact O-N 3.1Å; F77-G81 PolarHBondContact O-N 3.43Å; F77-Q82 HydrophobicContact CB-CB 4.37Å; F77-Q82 HydrophobicContact CD1-CB 3.92Å; F77-Q82 VanDerWaalsContact CE1-OE1 3.25Å; F77-Q82 PolarHBondContact O-N 3.18Å; F77-Q85 HydrophobicContact CB-CB 4.48Å; F77-Q85 HydrophobicContact CD1-CB 3.76Å; F77-Q85 HydrophobicContact CE1-CB 4.25Å; F77-Q85 HydrophobicContact CG-CB 4.15Å; F77-A86 HydrophobicContact CB-CB 4.06Å; F77-L89 HydrophobicContact CD2-CD1 3.27Å; F77-L89 HydrophobicContact CE2-CD1 3.68Å; F77-L89 HydrophobicContact CG-CD1 4.11Å
78	F	95.7	Very high	95	Very high	55 Å²	55	64.4 Å²	64.4	24%	0.241	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-47.6	175.7	-180	-90.9	0	0	0	111.7	G74 K76 G80 G81 Y83 A86 A114 A115	G74-F78 WeakPolarHBondContact O-CB 3.35Å; G74-F78 PolarHBondContact O-N 3.21Å; K76-F78 PolarHBondContact O-N 3.14Å; F78-G80 PolarHBondContact O-N 3.35Å; F78-G81 PolarHBondContact O-N 3.15Å; F78-Y83 AromaticContact CD2-CD1 3.76Å; F78-Y83 HydrophobicContact CD2-CD1 3.76Å; F78-Y83 AromaticContact CD2-CE1 3.97Å; F78-Y83 HydrophobicContact CD2-CE1 3.97Å; F78-Y83 AromaticContact CE2-CD1 3.94Å; F78-Y83 HydrophobicContact CE2-CD1 3.94Å; F78-Y83 AromaticContact CE2-CE1 3.89Å; F78-Y83 HydrophobicContact CE2-CE1 3.89Å; F78-Y83 HydrophobicContact CZ-CE1 4.41Å; F78-A86 HydrophobicContact CB-CB 4.02Å; F78-A114 HydrophobicContact CE2-CB 3.87Å; F78-A114 HydrophobicContact CZ-CB 3.93Å; F78-A115 HydrophobicContact CD2-CB 3.88Å; F78-A115 HydrophobicContact CE2-CB 4.14Å
79	K	94.5	Very high	95.2	Very high	184 Å²	184	62.7 Å²	62.7	80%	0.8	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-28.1	175.5	-73.5	178.8	179.1	-174	0	113	N75 K76 F77 G81	N75-K79 WeakPolarHBondContact O-CG 3.47Å; N75-K79 PolarHBondContact O-N 2.9Å; K76-K79 PolarHBondContact O-N 2.66Å; F77-K79 PolarHBondContact O-N 2.86Å; K79-G81 PolarHBondContact O-N 3.43Å
80	G	95	Very high	95.5	Very high	57 Å²	57	60.4 Å²	60.4	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	2.7	173	0	0	0	0	0	114.7	K76 F77 F78 Q82	K76-G80 PolarHBondContact O-N 3.39Å; F77-G80 CarbonylContact O-C 3.56Å; F77-G80 WeakPolarHBondContact O-CA 3.42Å; F77-G80 PolarHBondContact O-N 3.18Å; F77-G80 VanDerWaalsContact O-N 3.1Å; F78-G80 PolarHBondContact O-N 3.35Å; G80-Q82 PolarHBondContact O-N 3.35Å
81	G	94.1	Very high	95.6	Very high	36 Å²	36	62 Å²	62	37%	0.371	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	4.2	-177.4	0	0	0	0	0	114.6	F77 F78 K79 Y83	F77-G81 PolarHBondContact O-N 3.43Å; F78-G81 PolarHBondContact O-N 3.15Å; K79-G81 PolarHBondContact O-N 3.43Å; G81-Y83 VanDerWaalsContact C-N 3.29Å; G81-Y83 WeakPolarHBondContact O-CD2 3.46Å; G81-Y83 WeakPolarHBondContact O-CE2 3.29Å; G81-Y83 PolarHBondContact O-N 2.95Å
82	Q	96.4	Very high	95.7	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	34%	0.337	S	S	.	.			trans	-87.5	67	-179.3	-70.5	174.4	-30	0	0	110.4	F77 G80 S84 Q85 A86	F77-Q82 HydrophobicContact CB-CB 4.37Å; F77-Q82 HydrophobicContact CD1-CB 3.92Å; F77-Q82 VanDerWaalsContact CE1-OE1 3.25Å; F77-Q82 PolarHBondContact O-N 3.18Å; G80-Q82 PolarHBondContact O-N 3.35Å; Q82-S84 PolarHBondContact O-N 3.47Å; Q82-Q85 HydrophobicContact CB-CB 4.5Å; Q82-Q85 PolarHBondContact O-N 3.5Å; Q82-A86 PolarHBondContact O-N 2.97Å
83	Y	96.8	Very high	95.7	Very high	62 Å²	62	60 Å²	60	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-36.3	-170.7	-53.1	-58.3	0	0	0	113.8	F78 G81 Q85 A86 I87 N118 Q119	F78-Y83 AromaticContact CD2-CD1 3.76Å; F78-Y83 HydrophobicContact CD2-CD1 3.76Å; F78-Y83 AromaticContact CD2-CE1 3.97Å; F78-Y83 HydrophobicContact CD2-CE1 3.97Å; F78-Y83 AromaticContact CE2-CD1 3.94Å; F78-Y83 HydrophobicContact CE2-CD1 3.94Å; F78-Y83 AromaticContact CE2-CE1 3.89Å; F78-Y83 HydrophobicContact CE2-CE1 3.89Å; F78-Y83 HydrophobicContact CZ-CE1 4.41Å; G81-Y83 VanDerWaalsContact C-N 3.29Å; G81-Y83 WeakPolarHBondContact O-CD2 3.46Å; G81-Y83 WeakPolarHBondContact O-CE2 3.29Å; G81-Y83 PolarHBondContact O-N 2.95Å; Y83-Q85 PolarHBondContact O-N 3.28Å; Y83-A86 WeakPolarHBondContact O-CB 3.38Å; Y83-A86 PolarHBondContact O-N 2.82Å; Y83-I87 VanDerWaalsContact O-CG1 3.29Å; Y83-I87 WeakPolarHBondContact O-CG1 3.09Å; Y83-I87 PolarHBondContact O-N 3.37Å; Y83-N118 HydrophobicContact CD1-CB 3.87Å; Y83-N118 HydrophobicContact CD2-CB 3.67Å; Y83-N118 HydrophobicContact CE1-CB 3.68Å; Y83-N118 HydrophobicContact CE2-CB 3.47Å; Y83-N118 VanDerWaalsContact CE2-CB 3.47Å; Y83-N118 HydrophobicContact CG-CB 3.87Å; Y83-N118 VanDerWaalsContact CZ-CB 3.47Å; Y83-N118 PolarHBondContact OH-OD1 3.2Å; Y83-Q119 HydrophobicContact CD2-CG 4.47Å; Y83-Q119 HydrophobicContact CG-CG 4.47Å
84	S	96.1	Very high	95.8	Very high	81 Å²	81	55.3 Å²	55.3	57%	0.566	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-42.2	-179.9	-52.7	0	0	0	0	111.8	Q82 I87 S88 Q119	Q82-S84 PolarHBondContact O-N 3.47Å; S84-I87 PolarHBondContact O-N 3.06Å; S84-S88 PolarHBondContact O-N 2.95Å; S84-S88 VanDerWaalsContact O-N 3.08Å; S84-Q119 VanDerWaalsContact CA-NE2 3.34Å; S84-Q119 PolarHBondContact OG-NE2 3.49Å
85	Q	95.7	Very high	95.7	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-70	-37.8	177.3	-69.5	175.6	-32	0	0	110.9	F77 Q82 Y83 S88 L89	F77-Q85 HydrophobicContact CB-CB 4.48Å; F77-Q85 HydrophobicContact CD1-CB 3.76Å; F77-Q85 HydrophobicContact CE1-CB 4.25Å; F77-Q85 HydrophobicContact CG-CB 4.15Å; Q82-Q85 HydrophobicContact CB-CB 4.5Å; Q82-Q85 PolarHBondContact O-N 3.5Å; Y83-Q85 PolarHBondContact O-N 3.28Å; Q85-S88 PolarHBondContact O-N 3.46Å; Q85-L89 WeakPolarHBondContact O-CG 3.44Å; Q85-L89 PolarHBondContact O-N 3.41Å
86	A	97	Very high	95.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-46.4	173.2	0	0	0	0	0	111.7	G74 F77 F78 Q82 Y83 L89 Y90	G74-A86 WeakPolarHBondContact O-CB 3.42Å; F77-A86 HydrophobicContact CB-CB 4.06Å; F78-A86 HydrophobicContact CB-CB 4.02Å; Q82-A86 PolarHBondContact O-N 2.97Å; Y83-A86 WeakPolarHBondContact O-CB 3.38Å; Y83-A86 PolarHBondContact O-N 2.82Å; A86-L89 PolarHBondContact O-N 3.38Å; A86-Y90 HydrophobicContact CB-CE2 3.95Å; A86-Y90 WeakPolarHBondContact O-CD2 3.23Å; A86-Y90 PolarHBondContact O-N 3.11Å
87	I	97.5	Very high	95.5	Very high	19 Å²	19	60.1 Å²	60.1	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-49.9	176.8	-68.4	163.4	0	0	0	110.7	Y83 S84 L89 Y90 D91 R112 A115 K116 Q119	Y83-I87 VanDerWaalsContact O-CG1 3.29Å; Y83-I87 WeakPolarHBondContact O-CG1 3.09Å; Y83-I87 PolarHBondContact O-N 3.37Å; S84-I87 PolarHBondContact O-N 3.06Å; I87-L89 VanDerWaalsContact C-N 3.29Å; I87-L89 PolarHBondContact O-N 3.41Å; I87-Y90 PolarHBondContact O-N 3.11Å; I87-D91 PolarHBondContact O-N 2.89Å; I87-R112 HydrophobicContact CG1-CG 4.35Å; I87-R112 HydrophobicContact CG2-CG 4.14Å; I87-A115 HydrophobicContact CD1-CB 4.09Å; I87-A115 HydrophobicContact CG1-CB 3.55Å; I87-K116 HydrophobicContact CD1-CG 3.78Å; I87-K116 HydrophobicContact CG1-CG 4.3Å; I87-Q119 VanDerWaalsContact CD1-OE1 3.28Å
88	S	96.8	Very high	95.3	Very high	62 Å²	62	59.3 Å²	59.3	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-40.8	178.6	176.8	0	0	0	0	112.4	S84 Q85 D91 E92	S84-S88 PolarHBondContact O-N 2.95Å; S84-S88 VanDerWaalsContact O-N 3.08Å; Q85-S88 PolarHBondContact O-N 3.46Å; S88-D91 PolarHBondContact O-N 3.16Å; S88-E92 WeakPolarHBondContact O-CG 3.39Å; S88-E92 PolarHBondContact O-N 3.31Å
89	L	96.4	Very high	95.1	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-69.2	-35	176.3	-71.6	168.5	0	0	0	112.8	L70 K73 F77 Q85 A86 I87 G93	L70-L89 HydrophobicContact CD2-CD2 4.06Å; K73-L89 HydrophobicContact CB-CD1 4.27Å; K73-L89 HydrophobicContact CD-CD1 4.19Å; K73-L89 HydrophobicContact CD-CD2 3.98Å; K73-L89 HydrophobicContact CG-CD1 3.84Å; K73-L89 HydrophobicContact CG-CD2 4.46Å; F77-L89 HydrophobicContact CD2-CD1 3.27Å; F77-L89 HydrophobicContact CE2-CD1 3.68Å; F77-L89 HydrophobicContact CG-CD1 4.11Å; Q85-L89 WeakPolarHBondContact O-CG 3.44Å; Q85-L89 PolarHBondContact O-N 3.41Å; A86-L89 PolarHBondContact O-N 3.38Å; I87-L89 VanDerWaalsContact C-N 3.29Å; I87-L89 PolarHBondContact O-N 3.41Å; L89-G93 PolarHBondContact O-N 3.41Å
90	Y	97.3	Very high	95	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-36.7	173.1	-60.1	-40.4	0	0	0	111.9	G74 N75 A86 I87 G93 L94 F108 N111 R112 A115	G74-Y90 PolarHBondContact O-OH 2.92Å; N75-Y90 PolarHBondContact N-OH 2.81Å; N75-Y90 PolarHBondContact OD1-OH 3.24Å; A86-Y90 HydrophobicContact CB-CE2 3.95Å; A86-Y90 WeakPolarHBondContact O-CD2 3.23Å; A86-Y90 PolarHBondContact O-N 3.11Å; I87-Y90 PolarHBondContact O-N 3.11Å; Y90-G93 CarbonylContact O-C 3.47Å; Y90-G93 PolarHBondContact O-N 2.83Å; Y90-L94 WeakPolarHBondContact O-CB 3.44Å; Y90-L94 WeakPolarHBondContact O-CG 3.42Å; Y90-L94 PolarHBondContact O-N 3.27Å; Y90-F108 HydrophobicContact CD1-CD1 4.09Å; Y90-F108 HydrophobicContact CD1-CE1 4.39Å; Y90-N111 HydrophobicContact CD1-CB 4.45Å; Y90-N111 HydrophobicContact CD2-CB 4.43Å; Y90-N111 HydrophobicContact CE1-CB 3.98Å; Y90-N111 HydrophobicContact CE2-CB 3.94Å; Y90-N111 WeakPolarHBondContact CE2-O 3.18Å; Y90-R112 HydrophobicContact CD2-CB 3.98Å; Y90-R112 HydrophobicContact CD2-CG 4.38Å; Y90-R112 HydrophobicContact CG-CB 4.43Å; Y90-A115 HydrophobicContact CE2-CB 4.3Å
91	D	96.7	Very high	94.8	Very high	54 Å²	54	58.4 Å²	58.4	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-44.2	174.6	-69.2	-21.6	0	0	0	111.5	I87 S88 G93 L94 K95 R112	I87-D91 PolarHBondContact O-N 2.89Å; S88-D91 PolarHBondContact O-N 3.16Å; D91-G93 VanDerWaalsContact C-N 3.32Å; D91-L94 PolarHBondContact O-N 3.25Å; D91-K95 WeakPolarHBondContact O-CG 3.45Å; D91-K95 PolarHBondContact O-N 2.99Å; D91-K95 VanDerWaalsContact O-N 3.14Å; D91-R112 WeakPolarHBondContact OD1-CD 3.33Å; D91-R112 IonicContact OD1-CZ 3.56Å; D91-R112 IonicContact OD1-NE 2.86Å; D91-R112 IonicContact OD1-NH1 3.35Å; D91-R112 PolarHBondContact OD1-NH1 3.46Å
92	E	95.3	Very high	94.8	Very high	87 Å²	87	59.3 Å²	59.3	41%	0.407	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-40.4	172	-71.9	-175.4	178.3	0	0	112	L70 S88 K95 K96	L70-E92 HydrophobicContact CD1-CB 3.95Å; S88-E92 WeakPolarHBondContact O-CG 3.39Å; S88-E92 PolarHBondContact O-N 3.31Å; E92-K95 PolarHBondContact O-N 3.24Å; E92-K96 PolarHBondContact O-N 3.25Å
93	G	94.8	Very high	94.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-44.9	175.4	0	0	0	0	0	112.5	L89 Y90 D91 K95 K96 C97	L89-G93 PolarHBondContact O-N 3.41Å; Y90-G93 CarbonylContact O-C 3.47Å; Y90-G93 PolarHBondContact O-N 2.83Å; D91-G93 VanDerWaalsContact C-N 3.32Å; G93-K95 VanDerWaalsContact C-N 3.31Å; G93-K95 PolarHBondContact O-N 3.42Å; G93-K96 PolarHBondContact O-N 3.37Å; G93-C97 VanDerWaalsContact O-CB 3.29Å; G93-C97 WeakPolarHBondContact O-CB 3.3Å; G93-C97 PolarHBondContact O-N 3.46Å
94	L	94.8	Very high	94.5	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-33.3	177.2	-80.9	166.4	0	0	0	113	Y90 D91 F108 Y109	Y90-L94 WeakPolarHBondContact O-CB 3.44Å; Y90-L94 WeakPolarHBondContact O-CG 3.42Å; Y90-L94 PolarHBondContact O-N 3.27Å; D91-L94 PolarHBondContact O-N 3.25Å; L94-F108 HydrophobicContact CD1-CB 4.31Å; L94-F108 HydrophobicContact CD2-CB 3.51Å; L94-F108 HydrophobicContact CD2-CD2 4.47Å; L94-F108 HydrophobicContact CD2-CG 4.15Å; L94-F108 HydrophobicContact CG-CB 3.68Å; L94-F108 HydrophobicContact CG-CD1 4.49Å; L94-F108 HydrophobicContact CG-CG 4.11Å; L94-Y109 HydrophobicContact CD1-CD1 3.87Å; L94-Y109 HydrophobicContact CD1-CE1 3.66Å; L94-Y109 HydrophobicContact CD2-CD1 4.32Å; L94-Y109 HydrophobicContact CD2-CD2 4.36Å; L94-Y109 HydrophobicContact CD2-CE1 4Å; L94-Y109 HydrophobicContact CD2-CE2 4.05Å; L94-Y109 HydrophobicContact CD2-CG 4.48Å
95	K	94.4	Very high	94.6	Very high	177 Å²	177	59.4 Å²	59.4	77%	0.77	30%	0.298	S	S	*	.	H	α-helix	trans	-68	-36.2	174.3	-71.5	172.4	-175.6	176.3	0	112.5	D91 E92 G93	D91-K95 WeakPolarHBondContact O-CG 3.45Å; D91-K95 PolarHBondContact O-N 2.99Å; D91-K95 VanDerWaalsContact O-N 3.14Å; E92-K95 PolarHBondContact O-N 3.24Å; G93-K95 VanDerWaalsContact C-N 3.31Å; G93-K95 PolarHBondContact O-N 3.42Å
96	K	92.5	Very high	94.6	Very high	107 Å²	107	55 Å²	55	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-85.8	-24.4	179.2	-64.9	-168.9	-173.6	-177	0	113.5	A66 A67 L70 E92 G93 P98	A66-K96 HydrophobicContact CB-CD 4.05Å; A67-K96 HydrophobicContact CB-CB 4.17Å; L70-K96 HydrophobicContact CD1-CD 3.77Å; L70-K96 HydrophobicContact CD1-CG 4.45Å; E92-K96 PolarHBondContact O-N 3.25Å; G93-K96 PolarHBondContact O-N 3.37Å; K96-P98 WeakPolarHBondContact O-CD 3.48Å
97	C	92	Very high	94.6	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.027	28%	0.283	C	S	.	.	S	Bend	trans	-68.1	120.2	-177.2	-163.4	0	0	0	0	110.5	A67 G93 R105 F108	A67-C97 HydrophobicContact CB-CB 3.9Å; G93-C97 VanDerWaalsContact O-CB 3.29Å; G93-C97 WeakPolarHBondContact O-CB 3.3Å; G93-C97 PolarHBondContact O-N 3.46Å; C97-R105 HydrophobicContact CB-CG 4.05Å; C97-R105 PolarHBondContact O-NE 3.07Å; C97-R105 VanDerWaalsContact SG-CG 3.52Å; C97-F108 HydrophobicContact CB-CD2 4.39Å; C97-F108 HydrophobicContact CB-CE2 4.08Å
98	P	91.8	Very high	94.5	Very high	36 Å²	36	54.9 Å²	54.9	23%	0.234	28%	0.279	C	S	.	.			trans	-52.5	148.7	175.9	-27.6	36.7	0	0	0	113.1	P63 L64 K96 D100 A101 R105	P63-P98 HydrophobicContact CB-CG 4.19Å; L64-P98 HydrophobicContact CB-CG 4.25Å; K96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-D100 VanDerWaalsContact C-N 3.28Å; P98-D100 WeakPolarHBondContact CB-OD1 2.93Å; P98-D100 PolarHBondContact O-N 3.29Å; P98-A101 HydrophobicContact CB-CB 4.31Å; P98-A101 PolarHBondContact O-N 2.86Å; P98-R105 VanDerWaalsContact O-CD 3.3Å; P98-R105 WeakPolarHBondContact O-CD 3.31Å; P98-R105 PolarHBondContact O-NE 2.92Å
99	L	91	Very high	94.6	Very high	130 Å²	130	53.7 Å²	53.7	68%	0.681	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.2	-176.7	-57.9	-175.8	0	0	0	112.6	A101	L99-A101 VanDerWaalsContact C-N 3.35Å
100	D	91.9	Very high	94.6	Very high	137 Å²	137	53.1 Å²	53.1	73%	0.733	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.7	177.9	60.7	-37	0	0	0	113.3	P98 V102	P98-D100 VanDerWaalsContact C-N 3.28Å; P98-D100 WeakPolarHBondContact CB-OD1 2.93Å; P98-D100 PolarHBondContact O-N 3.29Å; D100-V102 PolarHBondContact O-N 2.97Å
101	A	92.4	Very high	94.6	Very high	9 Å²	9	54.9 Å²	54.9	7%	0.074	27%	0.272	C	S	.	.			trans	-77	61	173.2	0	0	0	0	0	111.8	L64 P98 L99 Q103 E104 R105	L64-A101 HydrophobicContact CD1-CB 3.75Å; P98-A101 HydrophobicContact CB-CB 4.31Å; P98-A101 PolarHBondContact O-N 2.86Å; L99-A101 VanDerWaalsContact C-N 3.35Å; A101-Q103 PolarHBondContact O-N 3.21Å; A101-E104 HydrophobicContact CB-CB 4.3Å; A101-E104 PolarHBondContact O-N 2.81Å; A101-R105 WeakPolarHBondContact O-CB 3.44Å; A101-R105 WeakPolarHBondContact O-CG 3.21Å; A101-R105 PolarHBondContact O-N 2.77Å
102	V	94	Very high	94.7	Very high	55 Å²	55	54 Å²	54	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-57.8	-45.5	-170.8	177.1	0	0	0	0	112.2	D100 R105 A106 L135 T136	D100-V102 PolarHBondContact O-N 2.97Å; V102-R105 PolarHBondContact O-N 3.38Å; V102-A106 WeakPolarHBondContact O-CB 3.33Å; V102-A106 PolarHBondContact O-N 2.64Å; V102-L135 HydrophobicContact CG1-CB 3.82Å; V102-L135 HydrophobicContact CG1-CD2 4.23Å; V102-L135 VanDerWaalsContact CG1-O 3.26Å; V102-L135 WeakPolarHBondContact CG1-O 3.38Å; V102-T136 HydrophobicContact CG1-CG2 4.27Å
103	Q	93.3	Very high	94.8	Very high	144 Å²	144	49.9 Å²	49.9	67%	0.673	25%	0.245	S	C	*	.	H	α-helix	trans	-68	-41.8	-177.3	-64.7	-177.3	3.9	0	0	111.5	A101 A106 A107 T136	A101-Q103 PolarHBondContact O-N 3.21Å; Q103-A106 PolarHBondContact O-N 3.28Å; Q103-A107 PolarHBondContact O-N 2.92Å; Q103-T136 HydrophobicContact CG-CG2 4.49Å
104	E	93.8	Very high	94.9	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-67.7	-41.6	178.8	-68.3	73.2	-160.1	0	0	111	L64 L68 A101 A107 F108	L64-E104 HydrophobicContact CD1-CB 4.26Å; L64-E104 HydrophobicContact CD1-CG 4.07Å; L68-E104 HydrophobicContact CD2-CG 4.05Å; A101-E104 HydrophobicContact CB-CB 4.3Å; A101-E104 PolarHBondContact O-N 2.81Å; E104-A107 WeakPolarHBondContact O-CB 3.44Å; E104-A107 PolarHBondContact O-N 2.89Å; E104-F108 WeakPolarHBondContact O-CD2 3.49Å; E104-F108 PolarHBondContact O-N 3.48Å
105	R	96.7	Very high	95	Very high	46 Å²	46	49.4 Å²	49.4	17%	0.174	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-45.1	173.5	-74.8	-175.7	129.2	-144.6	-12.1	112.1	C97 P98 A101 V102 A107 F108 Y109 L135	C97-R105 HydrophobicContact CB-CG 4.05Å; C97-R105 PolarHBondContact O-NE 3.07Å; C97-R105 VanDerWaalsContact SG-CG 3.52Å; P98-R105 VanDerWaalsContact O-CD 3.3Å; P98-R105 WeakPolarHBondContact O-CD 3.31Å; P98-R105 PolarHBondContact O-NE 2.92Å; A101-R105 WeakPolarHBondContact O-CB 3.44Å; A101-R105 WeakPolarHBondContact O-CG 3.21Å; A101-R105 PolarHBondContact O-N 2.77Å; V102-R105 PolarHBondContact O-N 3.38Å; R105-A107 VanDerWaalsContact C-N 3.28Å; R105-A107 PolarHBondContact O-N 2.94Å; R105-F108 WeakPolarHBondContact O-CB 3.39Å; R105-F108 PolarHBondContact O-N 2.85Å; R105-F108 VanDerWaalsContact O-N 3.15Å; R105-Y109 VanDerWaalsContact O-CD2 3.23Å; R105-Y109 WeakPolarHBondContact O-CD2 3.38Å; R105-Y109 PolarHBondContact O-N 2.85Å; R105-L135 HydrophobicContact CB-CD1 3.61Å
106	A	96.6	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-40.7	174.4	0	0	0	0	0	111.8	V102 Q103 F108 Y109 Q110 A132 L135 T136 Y139	V102-A106 WeakPolarHBondContact O-CB 3.33Å; V102-A106 PolarHBondContact O-N 2.64Å; Q103-A106 PolarHBondContact O-N 3.28Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.13Å; A106-Y109 PolarHBondContact O-N 3.3Å; A106-Q110 WeakPolarHBondContact O-CB 3.44Å; A106-Q110 PolarHBondContact O-N 3.24Å; A106-A132 HydrophobicContact CB-CB 4.39Å; A106-L135 HydrophobicContact CB-CB 4.04Å; A106-L135 HydrophobicContact CB-CD1 4.25Å; A106-T136 HydrophobicContact CB-CG2 3.85Å; A106-T136 WeakPolarHBondContact CB-OG1 3.44Å; A106-Y139 HydrophobicContact CB-CD1 4.07Å; A106-Y139 HydrophobicContact CB-CE1 4.18Å
107	A	95.8	Very high	95.5	Very high	17 Å²	17	39.1 Å²	39.1	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-36.6	175.7	0	0	0	0	0	113	Q103 E104 R105 Q110 N111	Q103-A107 PolarHBondContact O-N 2.92Å; E104-A107 WeakPolarHBondContact O-CB 3.44Å; E104-A107 PolarHBondContact O-N 2.89Å; R105-A107 VanDerWaalsContact C-N 3.28Å; R105-A107 PolarHBondContact O-N 2.94Å; A107-Q110 PolarHBondContact O-N 3.48Å; A107-N111 WeakPolarHBondContact O-CB 3.39Å; A107-N111 VanDerWaalsContact O-CG 3.28Å; A107-N111 PolarHBondContact O-N 3.33Å; A107-N111 PolarHBondContact O-OD1 3.37Å
108	F	97.1	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-50.3	172.6	-86.5	-73.7	0	0	0	112.3	A67 K71 Y90 L94 C97 E104 R105 A106 Q110 N111 R112	A67-F108 HydrophobicContact CB-CE2 4.01Å; A67-F108 HydrophobicContact CB-CZ 3.94Å; A67-F108 VanDerWaalsContact O-CZ 3.25Å; A67-F108 WeakPolarHBondContact O-CZ 3.32Å; K71-F108 HydrophobicContact CB-CD1 4.36Å; K71-F108 HydrophobicContact CB-CE1 3.56Å; K71-F108 HydrophobicContact CB-CZ 3.68Å; K71-F108 HydrophobicContact CD-CE1 4.5Å; K71-F108 HydrophobicContact CD-CZ 4.48Å; K71-F108 HydrophobicContact CG-CD1 4.33Å; K71-F108 HydrophobicContact CG-CE1 4.01Å; K71-F108 HydrophobicContact CG-CZ 4.33Å; Y90-F108 HydrophobicContact CD1-CD1 4.09Å; Y90-F108 HydrophobicContact CD1-CE1 4.39Å; L94-F108 HydrophobicContact CD1-CB 4.31Å; L94-F108 HydrophobicContact CD2-CB 3.51Å; L94-F108 HydrophobicContact CD2-CD2 4.47Å; L94-F108 HydrophobicContact CD2-CG 4.15Å; L94-F108 HydrophobicContact CG-CB 3.68Å; L94-F108 HydrophobicContact CG-CD1 4.49Å; L94-F108 HydrophobicContact CG-CG 4.11Å; C97-F108 HydrophobicContact CB-CD2 4.39Å; C97-F108 HydrophobicContact CB-CE2 4.08Å; E104-F108 WeakPolarHBondContact O-CD2 3.49Å; E104-F108 PolarHBondContact O-N 3.48Å; R105-F108 WeakPolarHBondContact O-CB 3.39Å; R105-F108 PolarHBondContact O-N 2.85Å; R105-F108 VanDerWaalsContact O-N 3.15Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.13Å; F108-Q110 VanDerWaalsContact C-N 3.27Å; F108-Q110 PolarHBondContact O-N 2.98Å; F108-N111 PolarHBondContact O-N 3.39Å; F108-R112 WeakPolarHBondContact O-CB 3.14Å; F108-R112 PolarHBondContact O-N 2.96Å
109	Y	98.1	Very high	95.8	Very high	37 Å²	37	43.4 Å²	43.4	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-43.9	177.3	-72.6	-55.9	0	0	0	111.2	L94 R105 A106 N111 R112 A113 D128 L131 L135	L94-Y109 HydrophobicContact CD1-CD1 3.87Å; L94-Y109 HydrophobicContact CD1-CE1 3.66Å; L94-Y109 HydrophobicContact CD2-CD1 4.32Å; L94-Y109 HydrophobicContact CD2-CD2 4.36Å; L94-Y109 HydrophobicContact CD2-CE1 4Å; L94-Y109 HydrophobicContact CD2-CE2 4.05Å; L94-Y109 HydrophobicContact CD2-CG 4.48Å; R105-Y109 VanDerWaalsContact O-CD2 3.23Å; R105-Y109 WeakPolarHBondContact O-CD2 3.38Å; R105-Y109 PolarHBondContact O-N 2.85Å; A106-Y109 PolarHBondContact O-N 3.3Å; Y109-N111 PolarHBondContact O-N 2.86Å; Y109-R112 PolarHBondContact O-N 2.98Å; Y109-A113 WeakPolarHBondContact O-CB 3.48Å; Y109-A113 PolarHBondContact O-N 3.35Å; Y109-D128 WeakPolarHBondContact CB-O 3.36Å; Y109-L131 HydrophobicContact CD1-CB 4.1Å; Y109-L131 HydrophobicContact CD1-CD1 4.03Å; Y109-L131 HydrophobicContact CD2-CB 3.97Å; Y109-L131 HydrophobicContact CE1-CB 4.24Å; Y109-L131 HydrophobicContact CE1-CD1 3.67Å; Y109-L131 HydrophobicContact CE2-CB 4.11Å; Y109-L131 HydrophobicContact CG-CB 3.98Å; Y109-L135 HydrophobicContact CD2-CD1 3.85Å; Y109-L135 HydrophobicContact CE2-CD1 3.75Å
110	Q	97.3	Very high	96	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-37.8	179.1	173.7	53.9	-10.7	0	0	113.7	A106 A107 F108 A114 A132 Y139 K141	A106-Q110 WeakPolarHBondContact O-CB 3.44Å; A106-Q110 PolarHBondContact O-N 3.24Å; A107-Q110 PolarHBondContact O-N 3.48Å; F108-Q110 VanDerWaalsContact C-N 3.27Å; F108-Q110 PolarHBondContact O-N 2.98Å; Q110-A114 PolarHBondContact O-N 2.94Å; Q110-A114 VanDerWaalsContact O-N 3.11Å; Q110-A132 HydrophobicContact CB-CB 4.45Å; Q110-Y139 HydrophobicContact CB-CE1 3.66Å; Q110-Y139 HydrophobicContact CG-CE1 4.06Å; Q110-K141 HydrophobicContact CG-CB 4.32Å; Q110-K141 PolarHBondContact NE2-O 3.41Å
111	N	96.5	Very high	96.2	Very high	39 Å²	39	43.6 Å²	43.6	21%	0.209	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-35.6	175.6	-72.9	2.4	0	0	0	111.8	N75 Y90 A107 F108 Y109 A114 A115	N75-N111 PolarHBondContact OD1-ND2 2.76Å; Y90-N111 HydrophobicContact CD1-CB 4.45Å; Y90-N111 HydrophobicContact CD2-CB 4.43Å; Y90-N111 HydrophobicContact CE1-CB 3.98Å; Y90-N111 HydrophobicContact CE2-CB 3.94Å; Y90-N111 WeakPolarHBondContact CE2-O 3.18Å; A107-N111 WeakPolarHBondContact O-CB 3.39Å; A107-N111 VanDerWaalsContact O-CG 3.28Å; A107-N111 PolarHBondContact O-N 3.33Å; A107-N111 PolarHBondContact O-OD1 3.37Å; F108-N111 PolarHBondContact O-N 3.39Å; Y109-N111 PolarHBondContact O-N 2.86Å; N111-A114 WeakPolarHBondContact O-CB 3.41Å; N111-A114 PolarHBondContact O-N 2.92Å; N111-A115 PolarHBondContact O-N 3.39Å; N111-A115 VanDerWaalsContact O-N 3.16Å
112	R	97.9	Very high	96.5	Very high	35 Å²	35	45.5 Å²	45.5	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-41.8	174.4	-166	175.8	69.1	178.7	0.9	111.4	I87 Y90 D91 F108 Y109 A114 A115 K116 D128	I87-R112 HydrophobicContact CG1-CG 4.35Å; I87-R112 HydrophobicContact CG2-CG 4.14Å; Y90-R112 HydrophobicContact CD2-CB 3.98Å; Y90-R112 HydrophobicContact CD2-CG 4.38Å; Y90-R112 HydrophobicContact CG-CB 4.43Å; D91-R112 WeakPolarHBondContact OD1-CD 3.33Å; D91-R112 IonicContact OD1-CZ 3.56Å; D91-R112 IonicContact OD1-NE 2.86Å; D91-R112 IonicContact OD1-NH1 3.35Å; D91-R112 PolarHBondContact OD1-NH1 3.46Å; F108-R112 WeakPolarHBondContact O-CB 3.14Å; F108-R112 PolarHBondContact O-N 2.96Å; Y109-R112 PolarHBondContact O-N 2.98Å; R112-A114 VanDerWaalsContact C-N 3.32Å; R112-A114 PolarHBondContact O-N 3.31Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-A115 VanDerWaalsContact O-N 3.11Å; R112-K116 HydrophobicContact CG-CD 4.49Å; R112-K116 WeakPolarHBondContact O-CG 3.43Å; R112-K116 PolarHBondContact O-N 2.99Å; R112-D128 WeakPolarHBondContact CG-OD2 3.47Å; R112-D128 IonicContact CZ-OD1 3.58Å; R112-D128 IonicContact CZ-OD2 3.73Å; R112-D128 IonicContact NE-OD1 3.74Å; R112-D128 PolarHBondContact NE-OD1 2.65Å; R112-D128 IonicContact NE-OD2 3.87Å; R112-D128 PolarHBondContact NE-OD2 2.89Å; R112-D128 IonicContact NH2-OD1 2.66Å; R112-D128 PolarHBondContact NH2-OD1 3.19Å; R112-D128 IonicContact NH2-OD2 3.79Å
113	A	97.9	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-45.3	172.6	0	0	0	0	0	111.8	Y109 A115 K116 E117 A125 D128 C129	Y109-A113 WeakPolarHBondContact O-CB 3.48Å; Y109-A113 PolarHBondContact O-N 3.35Å; A113-A115 VanDerWaalsContact C-N 3.3Å; A113-A115 PolarHBondContact O-N 3.18Å; A113-K116 PolarHBondContact O-N 3.25Å; A113-E117 WeakPolarHBondContact O-CB 3.26Å; A113-E117 PolarHBondContact O-N 3.49Å; A113-A125 HydrophobicContact CB-CB 4.42Å; A113-A125 WeakPolarHBondContact CB-O 3.45Å; A113-D128 HydrophobicContact CB-CB 3.71Å; A113-C129 WeakPolarHBondContact CB-SG 3.21Å
114	A	97.5	Very high	96.8	Very high	5 Å²	5	43 Å²	43	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-40.3	176.2	0	0	0	0	0	112.4	F78 Q110 N111 R112 N118	F78-A114 HydrophobicContact CE2-CB 3.87Å; F78-A114 HydrophobicContact CZ-CB 3.93Å; Q110-A114 PolarHBondContact O-N 2.94Å; Q110-A114 VanDerWaalsContact O-N 3.11Å; N111-A114 WeakPolarHBondContact O-CB 3.41Å; N111-A114 PolarHBondContact O-N 2.92Å; R112-A114 VanDerWaalsContact C-N 3.32Å; R112-A114 PolarHBondContact O-N 3.31Å; A114-N118 PolarHBondContact O-N 3.39Å; A114-N118 PolarHBondContact O-ND2 3.22Å
115	A	97.4	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-43.2	177.4	0	0	0	0	0	111.9	F78 I87 Y90 N111 R112 A113 N118 Q119	F78-A115 HydrophobicContact CD2-CB 3.88Å; F78-A115 HydrophobicContact CE2-CB 4.14Å; I87-A115 HydrophobicContact CD1-CB 4.09Å; I87-A115 HydrophobicContact CG1-CB 3.55Å; Y90-A115 HydrophobicContact CE2-CB 4.3Å; N111-A115 PolarHBondContact O-N 3.39Å; N111-A115 VanDerWaalsContact O-N 3.16Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-A115 VanDerWaalsContact O-N 3.11Å; A113-A115 VanDerWaalsContact C-N 3.3Å; A113-A115 PolarHBondContact O-N 3.18Å; A115-N118 PolarHBondContact O-N 3.15Å; A115-Q119 PolarHBondContact O-N 3.12Å
116	K	98.1	Very high	97.1	Very high	17 Å²	17	38.9 Å²	38.9	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-39.2	176.4	-73.1	177.8	175.7	177.3	0	113	I87 R112 A113 N118 Q119 R120 Q121 S124 A125 D128	I87-K116 HydrophobicContact CD1-CG 3.78Å; I87-K116 HydrophobicContact CG1-CG 4.3Å; R112-K116 HydrophobicContact CG-CD 4.49Å; R112-K116 WeakPolarHBondContact O-CG 3.43Å; R112-K116 PolarHBondContact O-N 2.99Å; A113-K116 PolarHBondContact O-N 3.25Å; K116-N118 VanDerWaalsContact C-N 3.32Å; K116-N118 PolarHBondContact O-N 3.41Å; K116-Q119 CarbonylContact O-C 3.59Å; K116-Q119 WeakPolarHBondContact O-CA 3.42Å; K116-Q119 WeakPolarHBondContact O-CB 3.5Å; K116-Q119 PolarHBondContact O-N 2.96Å; K116-R120 PolarHBondContact O-N 3.5Å; K116-Q121 HydrophobicContact CB-CB 4.19Å; K116-Q121 PolarHBondContact O-N 3.36Å; K116-S124 WeakPolarHBondContact CE-OG 3.49Å; K116-S124 PolarHBondContact NZ-O 3.19Å; K116-S124 PolarHBondContact NZ-OG 3.13Å; K116-A125 HydrophobicContact CB-CB 3.87Å; K116-D128 VanDerWaalsContact CD-OD2 3.31Å; K116-D128 WeakPolarHBondContact CD-OD2 3.5Å; K116-D128 WeakPolarHBondContact CE-OD2 3.34Å; K116-D128 IonicContact NZ-OD1 3.11Å; K116-D128 PolarHBondContact NZ-OD1 3Å; K116-D128 VanDerWaalsContact NZ-OD1 3.07Å; K116-D128 IonicContact NZ-OD2 2.81Å; K116-D128 PolarHBondContact NZ-OD2 3.38Å
117	E	97.4	Very high	97.2	Very high	52 Å²	52	44.5 Å²	44.5	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-56.3	-46.1	173.2	177.3	-175	174.8	0	0	111.3	A113 Q119 R120 R145 L149	A113-E117 WeakPolarHBondContact O-CB 3.26Å; A113-E117 PolarHBondContact O-N 3.49Å; E117-Q119 PolarHBondContact O-N 3.4Å; E117-R120 WeakPolarHBondContact O-CA 3.42Å; E117-R120 PolarHBondContact O-N 3.19Å; E117-R145 WeakPolarHBondContact OE2-CD 3.37Å; E117-R145 WeakPolarHBondContact OE2-CG 3.36Å; E117-R145 IonicContact OE2-CZ 2.81Å; E117-R145 IonicContact OE2-NE 3.68Å; E117-R145 IonicContact OE2-NH1 3.63Å; E117-R145 PolarHBondContact OE2-NH1 3.18Å; E117-L149 HydrophobicContact CB-CD2 4.04Å; E117-L149 HydrophobicContact CG-CD2 3.8Å
118	N	95.7	Very high	97.3	Very high	76 Å²	76	43.8 Å²	43.8	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-67.8	-18	176.8	-78.3	-83.9	0	0	0	113.3	Y83 A114 A115 K116 R120	Y83-N118 HydrophobicContact CD1-CB 3.87Å; Y83-N118 HydrophobicContact CD2-CB 3.67Å; Y83-N118 HydrophobicContact CE1-CB 3.68Å; Y83-N118 HydrophobicContact CE2-CB 3.47Å; Y83-N118 VanDerWaalsContact CE2-CB 3.47Å; Y83-N118 HydrophobicContact CG-CB 3.87Å; Y83-N118 VanDerWaalsContact CZ-CB 3.47Å; Y83-N118 PolarHBondContact OH-OD1 3.2Å; A114-N118 PolarHBondContact O-N 3.39Å; A114-N118 PolarHBondContact O-ND2 3.22Å; A115-N118 PolarHBondContact O-N 3.15Å; K116-N118 VanDerWaalsContact C-N 3.32Å; K116-N118 PolarHBondContact O-N 3.41Å; N118-R120 VanDerWaalsContact C-N 3.34Å
119	Q	95.8	Very high	97.4	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.252	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6	169.8	-64.8	-167.4	-22.3	0	0	113.7	Y83 S84 I87 A115 K116 E117 Q121	Y83-Q119 HydrophobicContact CD2-CG 4.47Å; Y83-Q119 HydrophobicContact CG-CG 4.47Å; S84-Q119 VanDerWaalsContact CA-NE2 3.34Å; S84-Q119 PolarHBondContact OG-NE2 3.49Å; I87-Q119 VanDerWaalsContact CD1-OE1 3.28Å; A115-Q119 PolarHBondContact O-N 3.12Å; K116-Q119 CarbonylContact O-C 3.59Å; K116-Q119 WeakPolarHBondContact O-CA 3.42Å; K116-Q119 WeakPolarHBondContact O-CB 3.5Å; K116-Q119 PolarHBondContact O-N 2.96Å; E117-Q119 PolarHBondContact O-N 3.4Å; Q119-Q121 HydrophobicContact CB-CG 4.16Å; Q119-Q121 PolarHBondContact O-N 3.07Å; Q119-Q121 VanDerWaalsContact OE1-NE2 3.1Å
120	R	95.4	Very high	97.4	Very high	187 Å²	187	43.7 Å²	43.7	71%	0.706	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	22.1	-174.8	-52.2	-180	177.9	-83.8	4.5	114	K116 E117 N118 Y122	K116-R120 PolarHBondContact O-N 3.5Å; E117-R120 WeakPolarHBondContact O-CA 3.42Å; E117-R120 PolarHBondContact O-N 3.19Å; N118-R120 VanDerWaalsContact C-N 3.34Å; R120-Y122 VanDerWaalsContact C-N 3.29Å; R120-Y122 HydrophobicContact CB-CE1 4.27Å; R120-Y122 HydrophobicContact CB-CE2 4.49Å; R120-Y122 PolarHBondContact NH1-OH 3.21Å; R120-Y122 PolarHBondContact O-N 3.29Å
121	Q	96.5	Very high	97.4	Very high	84 Å²	84	46.9 Å²	46.9	39%	0.393	22%	0.222	S	C	.	.			trans	-88.7	67.5	174	-64.8	174.7	10.6	0	0	109.4	K116 Q119 A125	K116-Q121 HydrophobicContact CB-CB 4.19Å; K116-Q121 PolarHBondContact O-N 3.36Å; Q119-Q121 HydrophobicContact CB-CG 4.16Å; Q119-Q121 PolarHBondContact O-N 3.07Å; Q119-Q121 VanDerWaalsContact OE1-NE2 3.1Å; Q121-A125 WeakPolarHBondContact O-CB 3.45Å; Q121-A125 PolarHBondContact O-N 3.49Å
122	Y	97.8	Very high	97.4	Very high	48 Å²	48	45 Å²	45	19%	0.188	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-44	-167.9	-54.6	-46.5	0	0	0	112.9	R120 S124 A125 I126 L149 K152 L153	R120-Y122 VanDerWaalsContact C-N 3.29Å; R120-Y122 HydrophobicContact CB-CE1 4.27Å; R120-Y122 HydrophobicContact CB-CE2 4.49Å; R120-Y122 PolarHBondContact NH1-OH 3.21Å; R120-Y122 PolarHBondContact O-N 3.29Å; Y122-S124 PolarHBondContact O-N 3.42Å; Y122-A125 WeakPolarHBondContact O-CB 3.48Å; Y122-A125 PolarHBondContact O-N 3.1Å; Y122-I126 WeakPolarHBondContact O-CG1 3.26Å; Y122-I126 PolarHBondContact O-N 3.08Å; Y122-L149 HydrophobicContact CD1-CD2 3.78Å; Y122-L149 HydrophobicContact CG-CD2 4.41Å; Y122-K152 HydrophobicContact CD2-CB 4.42Å; Y122-K152 HydrophobicContact CE2-CB 4.33Å; Y122-L153 HydrophobicContact CD2-CD2 3.99Å; Y122-L153 HydrophobicContact CG-CD2 4.48Å
123	E	97.5	Very high	97.4	Very high	110 Å²	110	44 Å²	44	51%	0.514	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-46.7	179.7	-67.2	75.3	-168.9	0	0	111	A125 I126 E127 L153	E123-A125 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 2.89Å; E123-I126 WeakPolarHBondContact O-CB 3.36Å; E123-I126 PolarHBondContact O-N 2.88Å; E123-I126 VanDerWaalsContact O-N 3.17Å; E123-E127 PolarHBondContact O-N 3.37Å; E123-L153 HydrophobicContact CG-CD1 4.23Å; E123-L153 VanDerWaalsContact OE1-CD2 3.31Å; E123-L153 WeakPolarHBondContact OE1-CD2 3.14Å
124	S	97	Very high	97.3	Very high	36 Å²	36	49 Å²	49	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-70.5	-26.5	178.1	-163.4	0	0	0	0	112.9	K116 Y122 D128	K116-S124 WeakPolarHBondContact CE-OG 3.49Å; K116-S124 PolarHBondContact NZ-O 3.19Å; K116-S124 PolarHBondContact NZ-OG 3.13Å; Y122-S124 PolarHBondContact O-N 3.42Å; S124-D128 PolarHBondContact O-N 3.38Å
125	A	98.1	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.3	-35.8	171	0	0	0	0	0	111.9	A113 K116 Q121 Y122 E123 D128 C129 L149	A113-A125 HydrophobicContact CB-CB 4.42Å; A113-A125 WeakPolarHBondContact CB-O 3.45Å; K116-A125 HydrophobicContact CB-CB 3.87Å; Q121-A125 WeakPolarHBondContact O-CB 3.45Å; Q121-A125 PolarHBondContact O-N 3.49Å; Y122-A125 WeakPolarHBondContact O-CB 3.48Å; Y122-A125 PolarHBondContact O-N 3.1Å; E123-A125 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 2.89Å; A125-D128 PolarHBondContact O-N 3.5Å; A125-C129 PolarHBondContact O-N 3.22Å; A125-C129 PolarHBondContact O-SG 3.23Å; A125-L149 HydrophobicContact CB-CD1 3.55Å; A125-L149 HydrophobicContact CB-CD2 4.06Å; A125-L149 HydrophobicContact CB-CG 4.48Å
126	I	98.5	Very high	97.2	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-41.4	174.7	-71.4	164.5	0	0	0	110.8	Y122 E123 D128 C129 S130 R146 L149 Y150 L153	Y122-I126 WeakPolarHBondContact O-CG1 3.26Å; Y122-I126 PolarHBondContact O-N 3.08Å; E123-I126 WeakPolarHBondContact O-CB 3.36Å; E123-I126 PolarHBondContact O-N 2.88Å; E123-I126 VanDerWaalsContact O-N 3.17Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 3.39Å; I126-C129 PolarHBondContact O-N 3.35Å; I126-S130 WeakPolarHBondContact O-CB 3.4Å; I126-S130 PolarHBondContact O-N 2.94Å; I126-S130 PolarHBondContact O-OG 3.17Å; I126-R146 HydrophobicContact CG1-CG 4.45Å; I126-R146 HydrophobicContact CG2-CG 4.17Å; I126-L149 HydrophobicContact CD1-CB 3.94Å; I126-L149 HydrophobicContact CG1-CB 3.53Å; I126-L149 HydrophobicContact CG1-CD1 3.96Å; I126-L149 HydrophobicContact CG1-CG 4.35Å; I126-Y150 HydrophobicContact CD1-CD1 3.81Å; I126-Y150 HydrophobicContact CD1-CE1 3.87Å; I126-Y150 HydrophobicContact CG1-CE1 4.39Å; I126-Y150 HydrophobicContact CG2-CE1 3.78Å; I126-L153 HydrophobicContact CD1-CD1 3.42Å; I126-L153 VanDerWaalsContact CD1-CD1 3.42Å; I126-L153 HydrophobicContact CD1-CG 4.42Å
127	E	98	Very high	97	Very high	118 Å²	118	54.4 Å²	54.4	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-57.3	-48.1	173.7	-71.9	171.1	-179.8	0	0	111.1	E123 S130 L131	E123-E127 PolarHBondContact O-N 3.37Å; E127-S130 WeakPolarHBondContact O-CB 3.25Å; E127-S130 PolarHBondContact O-N 3.29Å; E127-S130 VanDerWaalsContact O-N 3.15Å; E127-L131 WeakPolarHBondContact O-CG 3.18Å; E127-L131 PolarHBondContact O-N 2.93Å
128	D	98.1	Very high	96.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.011	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-44	177.6	-76.8	-2.8	0	0	0	112.4	Y109 R112 A113 K116 S124 A125 I126 S130 L131 A132	Y109-D128 WeakPolarHBondContact CB-O 3.36Å; R112-D128 WeakPolarHBondContact CG-OD2 3.47Å; R112-D128 IonicContact CZ-OD1 3.58Å; R112-D128 IonicContact CZ-OD2 3.73Å; R112-D128 IonicContact NE-OD1 3.74Å; R112-D128 PolarHBondContact NE-OD1 2.65Å; R112-D128 IonicContact NE-OD2 3.87Å; R112-D128 PolarHBondContact NE-OD2 2.89Å; R112-D128 IonicContact NH2-OD1 2.66Å; R112-D128 PolarHBondContact NH2-OD1 3.19Å; R112-D128 IonicContact NH2-OD2 3.79Å; A113-D128 HydrophobicContact CB-CB 3.71Å; K116-D128 VanDerWaalsContact CD-OD2 3.31Å; K116-D128 WeakPolarHBondContact CD-OD2 3.5Å; K116-D128 WeakPolarHBondContact CE-OD2 3.34Å; K116-D128 IonicContact NZ-OD1 3.11Å; K116-D128 PolarHBondContact NZ-OD1 3Å; K116-D128 VanDerWaalsContact NZ-OD1 3.07Å; K116-D128 IonicContact NZ-OD2 2.81Å; K116-D128 PolarHBondContact NZ-OD2 3.38Å; S124-D128 PolarHBondContact O-N 3.38Å; A125-D128 PolarHBondContact O-N 3.5Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 3.39Å; D128-S130 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 3.05Å; D128-L131 PolarHBondContact O-N 2.91Å; D128-A132 PolarHBondContact O-N 2.84Å
129	C	98.2	Very high	96.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-40.4	174.5	-65.2	0	0	0	0	111	A113 A125 I126 A132 L133 R146	A113-C129 WeakPolarHBondContact CB-SG 3.21Å; A125-C129 PolarHBondContact O-N 3.22Å; A125-C129 PolarHBondContact O-SG 3.23Å; I126-C129 PolarHBondContact O-N 3.35Å; C129-A132 WeakPolarHBondContact O-CB 3.27Å; C129-A132 PolarHBondContact O-N 3.48Å; C129-L133 VanDerWaalsContact O-CG 3.25Å; C129-L133 WeakPolarHBondContact O-CG 3.26Å; C129-L133 PolarHBondContact O-N 3.44Å; C129-R146 HydrophobicContact CB-CB 3.69Å; C129-R146 HydrophobicContact CB-CG 3.92Å
130	S	98.1	Very high	96.8	Very high	34 Å²	34	56.5 Å²	56.5	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-42	178.4	-58	0	0	0	0	111.6	I126 E127 D128 A132 L133 T134 R146	I126-S130 WeakPolarHBondContact O-CB 3.4Å; I126-S130 PolarHBondContact O-N 2.94Å; I126-S130 PolarHBondContact O-OG 3.17Å; E127-S130 WeakPolarHBondContact O-CB 3.25Å; E127-S130 PolarHBondContact O-N 3.29Å; E127-S130 VanDerWaalsContact O-N 3.15Å; D128-S130 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 3.05Å; S130-A132 VanDerWaalsContact C-N 3.33Å; S130-A132 PolarHBondContact O-N 3.12Å; S130-L133 CarbonylContact O-C 3.26Å; S130-L133 PolarHBondContact O-N 3.47Å; S130-L133 VanDerWaalsContact O-N 3.12Å; S130-T134 WeakPolarHBondContact O-CG2 3.23Å; S130-T134 PolarHBondContact O-N 2.88Å; S130-R146 WeakPolarHBondContact OG-CD 3.35Å; S130-R146 PolarHBondContact OG-NH1 3.4Å
131	L	97.6	Very high	96.8	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.366	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-37	171.9	-69.3	172.7	0	0	0	112.5	Y109 E127 D128 L133 T134 L135	Y109-L131 HydrophobicContact CD1-CB 4.1Å; Y109-L131 HydrophobicContact CD1-CD1 4.03Å; Y109-L131 HydrophobicContact CD2-CB 3.97Å; Y109-L131 HydrophobicContact CE1-CB 4.24Å; Y109-L131 HydrophobicContact CE1-CD1 3.67Å; Y109-L131 HydrophobicContact CE2-CB 4.11Å; Y109-L131 HydrophobicContact CG-CB 3.98Å; E127-L131 WeakPolarHBondContact O-CG 3.18Å; E127-L131 PolarHBondContact O-N 2.93Å; D128-L131 PolarHBondContact O-N 2.91Å; L131-L133 VanDerWaalsContact C-N 3.27Å; L131-L133 PolarHBondContact O-N 3.21Å; L131-T134 PolarHBondContact O-OG1 2.87Å; L131-L135 WeakPolarHBondContact O-CG 3.41Å; L131-L135 PolarHBondContact O-N 2.9Å
132	A	97.9	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-35.4	173.6	0	0	0	0	0	111.7	A106 Q110 D128 C129 S130 T136 Y139 A142	A106-A132 HydrophobicContact CB-CB 4.39Å; Q110-A132 HydrophobicContact CB-CB 4.45Å; D128-A132 PolarHBondContact O-N 2.84Å; C129-A132 WeakPolarHBondContact O-CB 3.27Å; C129-A132 PolarHBondContact O-N 3.48Å; S130-A132 VanDerWaalsContact C-N 3.33Å; S130-A132 PolarHBondContact O-N 3.12Å; A132-T136 PolarHBondContact O-N 3Å; A132-T136 PolarHBondContact O-OG1 3.15Å; A132-Y139 HydrophobicContact CB-CD1 4.2Å; A132-A142 HydrophobicContact CB-CB 3.91Å
133	L	97	Very high	96.9	Very high	13 Å²	13	48 Å²	48	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-80.4	-26.8	-179.7	-66.3	167.9	0	0	0	113.6	C129 S130 L131 L135 T136 P137 A142 L143	C129-L133 VanDerWaalsContact O-CG 3.25Å; C129-L133 WeakPolarHBondContact O-CG 3.26Å; C129-L133 PolarHBondContact O-N 3.44Å; S130-L133 CarbonylContact O-C 3.26Å; S130-L133 PolarHBondContact O-N 3.47Å; S130-L133 VanDerWaalsContact O-N 3.12Å; L131-L133 VanDerWaalsContact C-N 3.27Å; L131-L133 PolarHBondContact O-N 3.21Å; L133-L135 VanDerWaalsContact C-N 3.29Å; L133-T136 CarbonylContact O-C 3.53Å; L133-P137 VanDerWaalsContact O-CA 3.25Å; L133-P137 WeakPolarHBondContact O-CA 3.39Å; L133-A142 HydrophobicContact CD2-CB 3.96Å; L133-A142 HydrophobicContact CG-CB 4.01Å; L133-L143 HydrophobicContact CD1-CD2 3.61Å; L133-L143 HydrophobicContact CD1-CG 4.14Å; L133-L143 HydrophobicContact CD2-CD1 4.42Å; L133-L143 HydrophobicContact CD2-CD2 3.82Å; L133-L143 HydrophobicContact CD2-CG 3.59Å; L133-L143 HydrophobicContact CG-CD2 4.37Å
134	T	96.1	Very high	96.8	Very high	105 Å²	105	44.9 Å²	44.9	64%	0.644	23%	0.234	S	C	*	.	H	α-helix	trans	-66.5	-34.5	169.7	60.8	0	0	0	0	111.7	S130 L131	S130-T134 WeakPolarHBondContact O-CG2 3.23Å; S130-T134 PolarHBondContact O-N 2.88Å; L131-T134 PolarHBondContact O-OG1 2.87Å
135	L	96.1	Very high	96.9	Very high	50 Å²	50	46.3 Å²	46.3	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-77.8	-45.1	175.6	-67.2	179.3	0	0	0	112.4	V102 R105 A106 Y109 L131 L133	V102-L135 HydrophobicContact CG1-CB 3.82Å; V102-L135 HydrophobicContact CG1-CD2 4.23Å; V102-L135 VanDerWaalsContact CG1-O 3.26Å; V102-L135 WeakPolarHBondContact CG1-O 3.38Å; R105-L135 HydrophobicContact CB-CD1 3.61Å; A106-L135 HydrophobicContact CB-CB 4.04Å; A106-L135 HydrophobicContact CB-CD1 4.25Å; Y109-L135 HydrophobicContact CD2-CD1 3.85Å; Y109-L135 HydrophobicContact CE2-CD1 3.75Å; L131-L135 WeakPolarHBondContact O-CG 3.41Å; L131-L135 PolarHBondContact O-N 2.9Å; L133-L135 VanDerWaalsContact C-N 3.29Å
136	T	95.5	Very high	96.9	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.184	24%	0.24	C	C	.	.			trans	-133.2	87.5	-176.2	50.7	0	0	0	0	110.3	V102 Q103 A106 A132 L133 H138 Y139	V102-T136 HydrophobicContact CG1-CG2 4.27Å; Q103-T136 HydrophobicContact CG-CG2 4.49Å; A106-T136 HydrophobicContact CB-CG2 3.85Å; A106-T136 WeakPolarHBondContact CB-OG1 3.44Å; A132-T136 PolarHBondContact O-N 3Å; A132-T136 PolarHBondContact O-OG1 3.15Å; L133-T136 CarbonylContact O-C 3.53Å; T136-H138 PolarHBondContact O-N 2.86Å; T136-H138 VanDerWaalsContact O-N 3.12Å; T136-Y139 WeakPolarHBondContact O-CB 3.4Å; T136-Y139 PolarHBondContact O-N 2.89Å; T136-Y139 WeakPolarHBondContact OG1-CB 3.4Å; T136-Y139 WeakPolarHBondContact OG1-CD1 3.43Å
137	P	94.5	Very high	96.8	Very high	57 Å²	57	47 Å²	47	37%	0.37	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.6	-173.7	-28.5	35.5	0	0	0	114.7	L133 Y139 Y674	L133-P137 VanDerWaalsContact O-CA 3.25Å; L133-P137 WeakPolarHBondContact O-CA 3.39Å; P137-Y139 VanDerWaalsContact C-N 3.29Å; P137-Y139 PolarHBondContact O-N 3.21Å; P137-Y674 HydrophobicContact CB-CD1 4.28Å; P137-Y674 HydrophobicContact CB-CE1 3.92Å; P137-Y674 WeakPolarHBondContact O-CE1 3.42Å
138	H	93.3	Very high	96.8	Very high	115 Å²	115	44 Å²	44	53%	0.532	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	19.4	-178.6	-62	77.6	0	0	0	113.1	T136 L140 F169	T136-H138 PolarHBondContact O-N 2.86Å; T136-H138 VanDerWaalsContact O-N 3.12Å; H138-L140 PolarHBondContact O-N 3.13Å; H138-F169 AromaticContact CD2-CD1 3.76Å; H138-F169 AromaticContact CD2-CE1 3.12Å; H138-F169 WeakPolarHBondContact CD2-CE1 3.3Å; H138-F169 AromaticContact CD2-CZ 3.36Å; H138-F169 WeakPolarHBondContact CD2-CZ 3.48Å; H138-F169 AromaticContact NE2-CE1 3.48Å; H138-F169 WeakPolarHBondContact NE2-CE1 3.34Å; H138-F169 AromaticContact NE2-CZ 3.76Å
139	Y	96	Very high	96.8	Very high	51 Å²	51	44 Å²	44	20%	0.2	22%	0.222	C	C	.	.			trans	-79.9	86.8	-175.2	-167.3	-175.6	0	0	0	111.9	A106 Q110 A132 T136 P137 K141 A142 L143	A106-Y139 HydrophobicContact CB-CD1 4.07Å; A106-Y139 HydrophobicContact CB-CE1 4.18Å; Q110-Y139 HydrophobicContact CB-CE1 3.66Å; Q110-Y139 HydrophobicContact CG-CE1 4.06Å; A132-Y139 HydrophobicContact CB-CD1 4.2Å; T136-Y139 WeakPolarHBondContact O-CB 3.4Å; T136-Y139 PolarHBondContact O-N 2.89Å; T136-Y139 WeakPolarHBondContact OG1-CB 3.4Å; T136-Y139 WeakPolarHBondContact OG1-CD1 3.43Å; P137-Y139 VanDerWaalsContact C-N 3.29Å; P137-Y139 PolarHBondContact O-N 3.21Å; Y139-K141 VanDerWaalsContact C-N 3.28Å; Y139-K141 HydrophobicContact CD2-CB 4.18Å; Y139-K141 HydrophobicContact CE2-CB 3.74Å; Y139-K141 HydrophobicContact CE2-CD 4.21Å; Y139-K141 HydrophobicContact CE2-CG 4.14Å; Y139-K141 PolarHBondContact O-N 3.16Å; Y139-K141 VanDerWaalsContact O-N 3.12Å; Y139-A142 HydrophobicContact CD1-CB 3.85Å; Y139-A142 HydrophobicContact CE1-CB 4.45Å; Y139-A142 HydrophobicContact CG-CB 4Å; Y139-A142 WeakPolarHBondContact O-CA 3.35Å; Y139-A142 WeakPolarHBondContact O-CB 3.44Å; Y139-A142 PolarHBondContact O-N 3.5Å; Y139-L143 PolarHBondContact O-N 3.47Å
140	L	95.4	Very high	96.8	Very high	59 Å²	59	45.4 Å²	45.4	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-46.8	-44.3	-177.2	-71.3	176.8	0	0	0	114.4	H138 A142 L143 N144 F169 E170	H138-L140 PolarHBondContact O-N 3.13Å; L140-A142 VanDerWaalsContact C-N 3.31Å; L140-A142 PolarHBondContact O-N 3.49Å; L140-L143 PolarHBondContact O-N 3.49Å; L140-N144 VanDerWaalsContact O-CB 3.26Å; L140-N144 WeakPolarHBondContact O-CB 3.31Å; L140-N144 PolarHBondContact O-N 2.78Å; L140-F169 HydrophobicContact CD2-CB 3.59Å; L140-F169 HydrophobicContact CD2-CD2 4.09Å; L140-F169 HydrophobicContact CD2-CG 4.33Å; L140-E170 HydrophobicContact CD1-CG 3.84Å; L140-E170 HydrophobicContact CD2-CG 3.98Å
141	K	95.9	Very high	96.8	Very high	142 Å²	142	46 Å²	46	62%	0.617	23%	0.226	S	C	*	.	H	α-helix	trans	-62.4	-40.6	180	-64.4	-175.9	178.5	177.3	0	111.5	Q110 Y139 R145	Q110-K141 HydrophobicContact CG-CB 4.32Å; Q110-K141 PolarHBondContact NE2-O 3.41Å; Y139-K141 VanDerWaalsContact C-N 3.28Å; Y139-K141 HydrophobicContact CD2-CB 4.18Å; Y139-K141 HydrophobicContact CE2-CB 3.74Å; Y139-K141 HydrophobicContact CE2-CD 4.21Å; Y139-K141 HydrophobicContact CE2-CG 4.14Å; Y139-K141 PolarHBondContact O-N 3.16Å; Y139-K141 VanDerWaalsContact O-N 3.12Å; K141-R145 WeakPolarHBondContact O-CB 3.32Å; K141-R145 PolarHBondContact O-N 3.07Å; K141-R145 VanDerWaalsContact O-N 3.08Å
142	A	97.6	Very high	96.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.1	-41.8	179.4	0	0	0	0	0	111.4	A132 L133 Y139 L140 R146	A132-A142 HydrophobicContact CB-CB 3.91Å; L133-A142 HydrophobicContact CD2-CB 3.96Å; L133-A142 HydrophobicContact CG-CB 4.01Å; Y139-A142 HydrophobicContact CD1-CB 3.85Å; Y139-A142 HydrophobicContact CE1-CB 4.45Å; Y139-A142 HydrophobicContact CG-CB 4Å; Y139-A142 WeakPolarHBondContact O-CA 3.35Å; Y139-A142 WeakPolarHBondContact O-CB 3.44Å; Y139-A142 PolarHBondContact O-N 3.5Å; L140-A142 VanDerWaalsContact C-N 3.31Å; L140-A142 PolarHBondContact O-N 3.49Å; A142-R146 VanDerWaalsContact O-CB 3.3Å; A142-R146 WeakPolarHBondContact O-CB 3.37Å; A142-R146 PolarHBondContact O-N 3.13Å
143	L	97.5	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-51.7	173.6	-73.4	167.4	0	0	0	111.9	L133 Y139 L140 R145 R146 A147 A165 C166 F169 Y674	L133-L143 HydrophobicContact CD1-CD2 3.61Å; L133-L143 HydrophobicContact CD1-CG 4.14Å; L133-L143 HydrophobicContact CD2-CD1 4.42Å; L133-L143 HydrophobicContact CD2-CD2 3.82Å; L133-L143 HydrophobicContact CD2-CG 3.59Å; L133-L143 HydrophobicContact CG-CD2 4.37Å; Y139-L143 PolarHBondContact O-N 3.47Å; L140-L143 PolarHBondContact O-N 3.49Å; L143-R145 PolarHBondContact O-N 3.43Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-R146 VanDerWaalsContact O-N 3.17Å; L143-A147 PolarHBondContact O-N 3.03Å; L143-A165 HydrophobicContact CD1-CB 4.19Å; L143-C166 WeakPolarHBondContact CB-SG 3.25Å; L143-F169 HydrophobicContact CD1-CD2 3.74Å; L143-F169 HydrophobicContact CD1-CE2 3.61Å; L143-Y674 WeakPolarHBondContact CD2-OH 3.44Å
144	N	97.2	Very high	96.6	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-44	-177.8	-178.6	-78.4	0	0	0	111.4	L140 R146 A147 H148 C166 N177	L140-N144 VanDerWaalsContact O-CB 3.26Å; L140-N144 WeakPolarHBondContact O-CB 3.31Å; L140-N144 PolarHBondContact O-N 2.78Å; N144-R146 PolarHBondContact O-N 3.07Å; N144-A147 PolarHBondContact O-N 3.3Å; N144-H148 PolarHBondContact O-CD2 3.48Å; N144-H148 PolarHBondContact O-N 3.35Å; N144-H148 VanDerWaalsContact O-N 3.1Å; N144-H148 PolarHBondContact OD1-CD2 3.38Å; N144-H148 VanDerWaalsContact OD1-CD2 3.29Å; N144-C166 PolarHBondContact N-SG 3.17Å; N144-N177 PolarHBondContact ND2-OD1 3.01Å
145	R	97.4	Very high	96.7	Very high	66 Å²	66	56.3 Å²	56.3	25%	0.249	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.7	175.1	-169.9	178.9	-55.5	-70.2	-8.4	111.6	E117 K141 L143 A147 H148 L149	E117-R145 WeakPolarHBondContact OE2-CD 3.37Å; E117-R145 WeakPolarHBondContact OE2-CG 3.36Å; E117-R145 IonicContact OE2-CZ 2.81Å; E117-R145 IonicContact OE2-NE 3.68Å; E117-R145 IonicContact OE2-NH1 3.63Å; E117-R145 PolarHBondContact OE2-NH1 3.18Å; K141-R145 WeakPolarHBondContact O-CB 3.32Å; K141-R145 PolarHBondContact O-N 3.07Å; K141-R145 VanDerWaalsContact O-N 3.08Å; L143-R145 PolarHBondContact O-N 3.43Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 3.43Å; R145-H148 PolarHBondContact O-N 3.47Å; R145-L149 HydrophobicContact CG-CD1 4.08Å; R145-L149 HydrophobicContact CG-CG 4.46Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.33Å; R145-L149 PolarHBondContact O-N 2.96Å
146	R	98.4	Very high	96.7	Very high	31 Å²	31	56 Å²	56	12%	0.117	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-39	179.3	-161.4	173.1	64.6	174.2	1.1	112	I126 C129 S130 A142 L143 N144 L149 Y150 D162	I126-R146 HydrophobicContact CG1-CG 4.45Å; I126-R146 HydrophobicContact CG2-CG 4.17Å; C129-R146 HydrophobicContact CB-CB 3.69Å; C129-R146 HydrophobicContact CB-CG 3.92Å; S130-R146 WeakPolarHBondContact OG-CD 3.35Å; S130-R146 PolarHBondContact OG-NH1 3.4Å; A142-R146 VanDerWaalsContact O-CB 3.3Å; A142-R146 WeakPolarHBondContact O-CB 3.37Å; A142-R146 PolarHBondContact O-N 3.13Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-R146 VanDerWaalsContact O-N 3.17Å; N144-R146 PolarHBondContact O-N 3.07Å; R146-L149 PolarHBondContact O-N 3.27Å; R146-Y150 HydrophobicContact CG-CD2 4.03Å; R146-Y150 HydrophobicContact CG-CE2 3.54Å; R146-Y150 VanDerWaalsContact O-CD2 3.27Å; R146-Y150 WeakPolarHBondContact O-CD2 3.36Å; R146-Y150 PolarHBondContact O-N 3.23Å; R146-D162 WeakPolarHBondContact CB-OD2 3.08Å; R146-D162 WeakPolarHBondContact CG-OD2 3.38Å; R146-D162 IonicContact CZ-OD1 3.65Å; R146-D162 IonicContact CZ-OD2 3.7Å; R146-D162 IonicContact NE-OD1 2.73Å; R146-D162 IonicContact NE-OD2 3.59Å; R146-D162 PolarHBondContact NE-OD2 2.89Å; R146-D162 IonicContact NH2-OD1 3.38Å; R146-D162 PolarHBondContact NH2-OD1 3.22Å; R146-D162 IonicContact NH2-OD2 3.79Å; R146-D162 PolarHBondContact NH2-OD2 3Å
147	A	97.9	Very high	96.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-49.6	172.2	0	0	0	0	0	112	L143 N144 R145 L149 Y150 E151 C159 D162 M163	L143-A147 PolarHBondContact O-N 3.03Å; N144-A147 PolarHBondContact O-N 3.3Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 3.43Å; A147-L149 VanDerWaalsContact C-N 3.28Å; A147-L149 PolarHBondContact O-N 3.48Å; A147-Y150 PolarHBondContact O-N 2.94Å; A147-Y150 VanDerWaalsContact O-N 3.16Å; A147-E151 PolarHBondContact O-N 3.42Å; A147-C159 PolarHBondContact O-SG 3.44Å; A147-C159 VanDerWaalsContact O-SG 3.33Å; A147-D162 HydrophobicContact CB-CB 3.77Å; A147-M163 HydrophobicContact CB-CB 4.43Å; A147-M163 HydrophobicContact CB-CE 3.5Å
148	H	97.6	Very high	96.9	Very high	57 Å²	57	59.1 Å²	59.1	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-33.3	176.4	-76.7	-60.4	0	0	0	113.1	N144 R145 E151 K152 F180	N144-H148 PolarHBondContact O-CD2 3.48Å; N144-H148 PolarHBondContact O-N 3.35Å; N144-H148 VanDerWaalsContact O-N 3.1Å; N144-H148 PolarHBondContact OD1-CD2 3.38Å; N144-H148 VanDerWaalsContact OD1-CD2 3.29Å; R145-H148 PolarHBondContact O-N 3.47Å; H148-E151 IonicContact ND1-OE2 2.78Å; H148-E151 PolarHBondContact ND1-OE2 2.97Å; H148-E151 WeakPolarHBondContact O-CB 3.3Å; H148-E151 PolarHBondContact O-N 2.95Å; H148-K152 WeakPolarHBondContact O-CG 3.36Å; H148-K152 PolarHBondContact O-N 3.12Å; H148-K152 VanDerWaalsContact O-N 3.13Å; H148-F180 AromaticContact CE1-CE1 3.99Å; H148-F180 AromaticContact CE1-CZ 3.9Å; H148-F180 AromaticContact ND1-CZ 3.64Å
149	L	98.2	Very high	97.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-68.6	-41.2	173.6	-69.1	166.7	0	0	0	111.7	E117 Y122 A125 I126 R145 R146 A147 E151 K152 L153	E117-L149 HydrophobicContact CB-CD2 4.04Å; E117-L149 HydrophobicContact CG-CD2 3.8Å; Y122-L149 HydrophobicContact CD1-CD2 3.78Å; Y122-L149 HydrophobicContact CG-CD2 4.41Å; A125-L149 HydrophobicContact CB-CD1 3.55Å; A125-L149 HydrophobicContact CB-CD2 4.06Å; A125-L149 HydrophobicContact CB-CG 4.48Å; I126-L149 HydrophobicContact CD1-CB 3.94Å; I126-L149 HydrophobicContact CG1-CB 3.53Å; I126-L149 HydrophobicContact CG1-CD1 3.96Å; I126-L149 HydrophobicContact CG1-CG 4.35Å; R145-L149 HydrophobicContact CG-CD1 4.08Å; R145-L149 HydrophobicContact CG-CG 4.46Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.33Å; R145-L149 PolarHBondContact O-N 2.96Å; R146-L149 PolarHBondContact O-N 3.27Å; A147-L149 VanDerWaalsContact C-N 3.28Å; A147-L149 PolarHBondContact O-N 3.48Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-E151 PolarHBondContact O-N 3.24Å; L149-K152 PolarHBondContact O-N 3.5Å; L149-L153 PolarHBondContact O-N 2.83Å; L149-L153 VanDerWaalsContact O-N 3.16Å
150	Y	98.4	Very high	97.2	Very high	30 Å²	30	51.4 Å²	51.4	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-38.3	173.9	-74.3	-46.3	0	0	0	112.5	I126 R146 A147 K152 L153 K154 K155 E158 D162	I126-Y150 HydrophobicContact CD1-CD1 3.81Å; I126-Y150 HydrophobicContact CD1-CE1 3.87Å; I126-Y150 HydrophobicContact CG1-CE1 4.39Å; I126-Y150 HydrophobicContact CG2-CE1 3.78Å; R146-Y150 HydrophobicContact CG-CD2 4.03Å; R146-Y150 HydrophobicContact CG-CE2 3.54Å; R146-Y150 VanDerWaalsContact O-CD2 3.27Å; R146-Y150 WeakPolarHBondContact O-CD2 3.36Å; R146-Y150 PolarHBondContact O-N 3.23Å; A147-Y150 PolarHBondContact O-N 2.94Å; A147-Y150 VanDerWaalsContact O-N 3.16Å; Y150-K152 PolarHBondContact O-N 2.9Å; Y150-L153 CarbonylContact O-C 3.47Å; Y150-L153 PolarHBondContact O-N 2.71Å; Y150-L153 VanDerWaalsContact O-N 3.15Å; Y150-K154 PolarHBondContact O-N 3.39Å; Y150-K155 HydrophobicContact CD1-CB 3.9Å; Y150-K155 HydrophobicContact CD1-CD 3.91Å; Y150-K155 HydrophobicContact CD1-CG 4.48Å; Y150-K155 HydrophobicContact CE1-CD 4.18Å; Y150-K155 HydrophobicContact CG-CB 4.37Å; Y150-K155 PolarHBondContact O-N 3.42Å; Y150-E158 HydrophobicContact CD1-CB 4.04Å; Y150-E158 HydrophobicContact CD2-CB 3.69Å; Y150-E158 HydrophobicContact CE1-CB 4.03Å; Y150-E158 HydrophobicContact CE1-CG 4.48Å; Y150-E158 HydrophobicContact CE2-CB 3.67Å; Y150-E158 HydrophobicContact CG-CB 3.88Å; Y150-D162 WeakPolarHBondContact CE2-OD2 3.46Å
151	E	97.1	Very high	97.3	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-46.1	171.1	-178.7	-136.8	137.3	0	0	111.5	A147 H148 L149 L153 K154 W156 F180	A147-E151 PolarHBondContact O-N 3.42Å; H148-E151 IonicContact ND1-OE2 2.78Å; H148-E151 PolarHBondContact ND1-OE2 2.97Å; H148-E151 WeakPolarHBondContact O-CB 3.3Å; H148-E151 PolarHBondContact O-N 2.95Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-E151 PolarHBondContact O-N 3.24Å; E151-L153 PolarHBondContact O-N 3.34Å; E151-K154 PolarHBondContact O-N 3.28Å; E151-W156 HydrophobicContact CG-CZ3 4.12Å; E151-F180 HydrophobicContact CB-CZ 3.79Å; E151-F180 HydrophobicContact CG-CE2 3.91Å; E151-F180 HydrophobicContact CG-CZ 3.69Å; E151-F180 VanDerWaalsContact OE2-CE2 3.23Å; E151-F180 WeakPolarHBondContact OE2-CE2 3.34Å; E151-F180 WeakPolarHBondContact OE2-CZ 3.46Å
152	K	96	Very high	97.3	Very high	111 Å²	111	44.2 Å²	44.2	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-31.1	176.6	-62.1	-42.6	172.1	-151.3	0	113.1	Y122 H148 L149 Y150	Y122-K152 HydrophobicContact CD2-CB 4.42Å; Y122-K152 HydrophobicContact CE2-CB 4.33Å; H148-K152 WeakPolarHBondContact O-CG 3.36Å; H148-K152 PolarHBondContact O-N 3.12Å; H148-K152 VanDerWaalsContact O-N 3.13Å; L149-K152 PolarHBondContact O-N 3.5Å; Y150-K152 PolarHBondContact O-N 2.9Å
153	L	97	Very high	97.3	Very high	44 Å²	44	44.2 Å²	44.2	23%	0.23	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.1	175.8	-62.5	-176.3	0	0	0	113.7	Y122 E123 I126 L149 Y150 E151 K155	Y122-L153 HydrophobicContact CD2-CD2 3.99Å; Y122-L153 HydrophobicContact CG-CD2 4.48Å; E123-L153 HydrophobicContact CG-CD1 4.23Å; E123-L153 VanDerWaalsContact OE1-CD2 3.31Å; E123-L153 WeakPolarHBondContact OE1-CD2 3.14Å; I126-L153 HydrophobicContact CD1-CD1 3.42Å; I126-L153 VanDerWaalsContact CD1-CD1 3.42Å; I126-L153 HydrophobicContact CD1-CG 4.42Å; L149-L153 PolarHBondContact O-N 2.83Å; L149-L153 VanDerWaalsContact O-N 3.16Å; Y150-L153 CarbonylContact O-C 3.47Å; Y150-L153 PolarHBondContact O-N 2.71Å; Y150-L153 VanDerWaalsContact O-N 3.15Å; E151-L153 PolarHBondContact O-N 3.34Å; L153-K155 HydrophobicContact CB-CD 4.5Å; L153-K155 HydrophobicContact CB-CG 4.15Å; L153-K155 PolarHBondContact O-N 3.21Å
154	K	96.1	Very high	97.2	Very high	156 Å²	156	44.3 Å²	44.3	68%	0.678	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	29.7	-175	-55.7	-179.1	178.4	-178.8	0	113.7	Y150 E151 W156	Y150-K154 PolarHBondContact O-N 3.39Å; E151-K154 PolarHBondContact O-N 3.28Å; K154-W156 VanDerWaalsContact C-N 3.34Å; K154-W156 HydrophobicContact CB-CZ2 4.12Å; K154-W156 HydrophobicContact CG-CZ2 4.07Å; K154-W156 PolarHBondContact O-N 3.39Å
155	K	97.1	Very high	97.2	Very high	95 Å²	95	42.3 Å²	42.3	41%	0.413	19%	0.19	S	C	.	.			trans	-86.8	76.3	173.6	-71.4	-169	177.6	-173.1	0	109.2	Y150 L153 E158 C159	Y150-K155 HydrophobicContact CD1-CB 3.9Å; Y150-K155 HydrophobicContact CD1-CD 3.91Å; Y150-K155 HydrophobicContact CD1-CG 4.48Å; Y150-K155 HydrophobicContact CE1-CD 4.18Å; Y150-K155 HydrophobicContact CG-CB 4.37Å; Y150-K155 PolarHBondContact O-N 3.42Å; L153-K155 HydrophobicContact CB-CD 4.5Å; L153-K155 HydrophobicContact CB-CG 4.15Å; L153-K155 PolarHBondContact O-N 3.21Å; K155-E158 WeakPolarHBondContact CB-OE2 3.43Å; K155-C159 VanDerWaalsContact O-CB 3.25Å; K155-C159 WeakPolarHBondContact O-CB 3.48Å; K155-C159 PolarHBondContact O-N 3.16Å
156	W	97.1	Very high	97.1	Very high	44 Å²	44	39.2 Å²	39.2	17%	0.167	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-40.2	-165.8	-56.5	117.7	0	0	0	113.7	E151 K154 C159 L160 V184 T187 I188	E151-W156 HydrophobicContact CG-CZ3 4.12Å; K154-W156 VanDerWaalsContact C-N 3.34Å; K154-W156 HydrophobicContact CB-CZ2 4.12Å; K154-W156 HydrophobicContact CG-CZ2 4.07Å; K154-W156 PolarHBondContact O-N 3.39Å; W156-C159 WeakPolarHBondContact O-CB 3.12Å; W156-C159 PolarHBondContact O-N 3.33Å; W156-L160 WeakPolarHBondContact O-CB 3.33Å; W156-L160 PolarHBondContact O-N 2.71Å; W156-V184 HydrophobicContact CE3-CG1 4.44Å; W156-T187 HydrophobicContact CD2-CG2 4.05Å; W156-T187 HydrophobicContact CE3-CG2 4.45Å; W156-T187 HydrophobicContact CH2-CG2 4.2Å; W156-T187 HydrophobicContact CZ2-CG2 3.76Å; W156-I188 HydrophobicContact CB-CD1 3.88Å; W156-I188 HydrophobicContact CB-CG1 3.5Å; W156-I188 VanDerWaalsContact CB-CG1 3.5Å; W156-I188 HydrophobicContact CG-CG1 4.35Å
157	D	96.2	Very high	96.8	Very high	76 Å²	76	37.7 Å²	37.7	41%	0.406	17%	0.173	S	C	.	.	H	α-helix	trans	-63.9	-43.6	-179.9	-65.2	-71.5	0	0	0	111.2	L160 L161 K192	D157-L160 PolarHBondContact O-N 2.7Å; D157-L161 WeakPolarHBondContact O-CG 3.3Å; D157-L161 PolarHBondContact O-N 3.28Å; D157-L161 VanDerWaalsContact O-N 3.12Å; D157-K192 IonicContact OD1-NZ 2.69Å; D157-K192 PolarHBondContact OD1-NZ 2.93Å
158	E	97	Very high	96.5	Very high	75 Å²	75	37.9 Å²	37.9	35%	0.35	17%	0.174	S	C	.	.	H	α-helix	trans	-68.7	-38.4	175.5	-60.6	93.9	144.7	0	0	112.4	Y150 K155 L160 L161 D162	Y150-E158 HydrophobicContact CD1-CB 4.04Å; Y150-E158 HydrophobicContact CD2-CB 3.69Å; Y150-E158 HydrophobicContact CE1-CB 4.03Å; Y150-E158 HydrophobicContact CE1-CG 4.48Å; Y150-E158 HydrophobicContact CE2-CB 3.67Å; Y150-E158 HydrophobicContact CG-CB 3.88Å; K155-E158 WeakPolarHBondContact CB-OE2 3.43Å; E158-L160 VanDerWaalsContact C-N 3.31Å; E158-L160 PolarHBondContact O-N 2.99Å; E158-L161 PolarHBondContact O-N 2.91Å; E158-D162 PolarHBondContact O-N 2.98Å; E158-D162 VanDerWaalsContact O-N 3.16Å
159	C	98.1	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-44.2	172.8	-176.8	0	0	0	0	111.3	A147 K155 W156 M163 V184	A147-C159 PolarHBondContact O-SG 3.44Å; A147-C159 VanDerWaalsContact O-SG 3.33Å; K155-C159 VanDerWaalsContact O-CB 3.25Å; K155-C159 WeakPolarHBondContact O-CB 3.48Å; K155-C159 PolarHBondContact O-N 3.16Å; W156-C159 WeakPolarHBondContact O-CB 3.12Å; W156-C159 PolarHBondContact O-N 3.33Å; C159-M163 WeakPolarHBondContact O-CB 3.35Å; C159-M163 PolarHBondContact O-N 3.09Å; C159-V184 HydrophobicContact CB-CG1 4.45Å
160	L	97.8	Very high	95.9	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-43.6	179.1	178.8	61.4	0	0	0	111.5	W156 D157 E158 M163 T164 M181 V184 L185 I188 E662 A666	W156-L160 WeakPolarHBondContact O-CB 3.33Å; W156-L160 PolarHBondContact O-N 2.71Å; D157-L160 PolarHBondContact O-N 2.7Å; E158-L160 VanDerWaalsContact C-N 3.31Å; E158-L160 PolarHBondContact O-N 2.99Å; L160-M163 PolarHBondContact O-N 3.25Å; L160-T164 VanDerWaalsContact O-CB 3.22Å; L160-T164 WeakPolarHBondContact O-CB 3.25Å; L160-T164 PolarHBondContact O-N 3.34Å; L160-T164 PolarHBondContact O-OG1 3Å; L160-M181 HydrophobicContact CD1-CG 4.08Å; L160-V184 HydrophobicContact CB-CG1 3.93Å; L160-V184 HydrophobicContact CD1-CG1 4.39Å; L160-L185 HydrophobicContact CD1-CD1 4.41Å; L160-L185 HydrophobicContact CD1-CD2 3.55Å; L160-L185 HydrophobicContact CD1-CG 3.66Å; L160-L185 HydrophobicContact CD2-CD2 3.58Å; L160-L185 HydrophobicContact CG-CD2 4.22Å; L160-I188 HydrophobicContact CB-CD1 3.85Å; L160-I188 HydrophobicContact CD2-CD1 3.73Å; L160-I188 HydrophobicContact CG-CD1 4.33Å; L160-E662 HydrophobicContact CD2-CB 4.44Å; L160-A666 HydrophobicContact CD1-CB 4.49Å; L160-A666 HydrophobicContact CD2-CB 3.7Å; L160-A666 HydrophobicContact CG-CB 3.7Å
161	L	97	Very high	95.5	Very high	42 Å²	42	41.3 Å²	41.3	22%	0.22	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-48.8	179.2	-71.2	172.2	0	0	0	112.2	D157 E158 M163 T164 A165 A666 K669 V670	D157-L161 WeakPolarHBondContact O-CG 3.3Å; D157-L161 PolarHBondContact O-N 3.28Å; D157-L161 VanDerWaalsContact O-N 3.12Å; E158-L161 PolarHBondContact O-N 2.91Å; L161-M163 PolarHBondContact O-N 2.99Å; L161-T164 PolarHBondContact O-N 2.96Å; L161-A165 PolarHBondContact O-N 3.37Å; L161-A666 HydrophobicContact CD2-CB 4.17Å; L161-K669 HydrophobicContact CD2-CB 3.77Å; L161-K669 HydrophobicContact CD2-CD 3.85Å; L161-K669 HydrophobicContact CD2-CG 4.48Å; L161-V670 HydrophobicContact CD2-CG2 4.22Å; L161-V670 WeakPolarHBondContact O-CG2 3.39Å
162	D	97.5	Very high	95	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-39.8	179.7	-79.6	-10.1	0	0	0	112.1	R146 A147 Y150 E158 A165 C166	R146-D162 WeakPolarHBondContact CB-OD2 3.08Å; R146-D162 WeakPolarHBondContact CG-OD2 3.38Å; R146-D162 IonicContact CZ-OD1 3.65Å; R146-D162 IonicContact CZ-OD2 3.7Å; R146-D162 IonicContact NE-OD1 2.73Å; R146-D162 IonicContact NE-OD2 3.59Å; R146-D162 PolarHBondContact NE-OD2 2.89Å; R146-D162 IonicContact NH2-OD1 3.38Å; R146-D162 PolarHBondContact NH2-OD1 3.22Å; R146-D162 IonicContact NH2-OD2 3.79Å; R146-D162 PolarHBondContact NH2-OD2 3Å; A147-D162 HydrophobicContact CB-CB 3.77Å; Y150-D162 WeakPolarHBondContact CE2-OD2 3.46Å; E158-D162 PolarHBondContact O-N 2.98Å; E158-D162 VanDerWaalsContact O-N 3.16Å; D162-A165 PolarHBondContact O-N 3.15Å; D162-C166 PolarHBondContact O-N 3.48Å; D162-C166 PolarHBondContact O-SG 3.27Å
163	M	97.2	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71.2	-36.2	178.9	-164.7	55.2	57.8	0	0	112.2	A147 C159 L160 L161 A165 C166 C167 N177 F180 M181	A147-M163 HydrophobicContact CB-CB 4.43Å; A147-M163 HydrophobicContact CB-CE 3.5Å; C159-M163 WeakPolarHBondContact O-CB 3.35Å; C159-M163 PolarHBondContact O-N 3.09Å; L160-M163 PolarHBondContact O-N 3.25Å; L161-M163 PolarHBondContact O-N 2.99Å; M163-A165 VanDerWaalsContact C-N 3.34Å; M163-C166 WeakPolarHBondContact O-CB 3.44Å; M163-C166 PolarHBondContact O-N 2.92Å; M163-C166 HydrophobicContact SD-CB 4.22Å; M163-C167 PolarHBondContact O-N 3.02Å; M163-C167 PolarHBondContact O-SG 3.06Å; M163-N177 HydrophobicContact SD-CB 3.67Å; M163-F180 HydrophobicContact CE-CD1 3.21Å; M163-F180 HydrophobicContact CE-CE1 3.49Å; M163-F180 VanDerWaalsContact CE-CE1 3.49Å; M163-F180 HydrophobicContact CE-CG 4.36Å; M163-F180 HydrophobicContact CG-CD1 3.87Å; M163-F180 HydrophobicContact SD-CD1 3.92Å; M163-M181 HydrophobicContact CG-CB 3.78Å; M163-M181 HydrophobicContact CG-CG 4.46Å
164	T	95.4	Very high	94.4	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-43.3	172.7	-59.7	0	0	0	0	110.5	L160 L161 C167 I168 A666 Q667 V670	L160-T164 VanDerWaalsContact O-CB 3.22Å; L160-T164 WeakPolarHBondContact O-CB 3.25Å; L160-T164 PolarHBondContact O-N 3.34Å; L160-T164 PolarHBondContact O-OG1 3Å; L161-T164 PolarHBondContact O-N 2.96Å; T164-C167 PolarHBondContact O-N 3.43Å; T164-I168 HydrophobicContact CG2-CD1 3.93Å; T164-I168 WeakPolarHBondContact O-CG1 3.36Å; T164-I168 PolarHBondContact O-N 2.93Å; T164-A666 HydrophobicContact CG2-CB 4.43Å; T164-Q667 HydrophobicContact CG2-CG 3.87Å; T164-V670 HydrophobicContact CG2-CB 4.35Å; T164-V670 HydrophobicContact CG2-CG2 4.05Å
165	A	95.9	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-44.8	174.1	0	0	0	0	0	112.3	L143 L161 D162 M163 C167 I168 F169 V670 Y674	L143-A165 HydrophobicContact CD1-CB 4.19Å; L161-A165 PolarHBondContact O-N 3.37Å; D162-A165 PolarHBondContact O-N 3.15Å; M163-A165 VanDerWaalsContact C-N 3.34Å; A165-C167 PolarHBondContact O-N 3.47Å; A165-I168 PolarHBondContact O-N 3.26Å; A165-F169 HydrophobicContact CB-CD2 4.49Å; A165-F169 HydrophobicContact CB-CE2 4.22Å; A165-F169 WeakPolarHBondContact O-CB 3.47Å; A165-F169 WeakPolarHBondContact O-CD2 3.49Å; A165-F169 VanDerWaalsContact O-CG 3.3Å; A165-F169 WeakPolarHBondContact O-CG 3.48Å; A165-F169 PolarHBondContact O-N 2.96Å; A165-V670 HydrophobicContact CB-CG1 3.81Å; A165-V670 HydrophobicContact CB-CG2 4.26Å; A165-Y674 HydrophobicContact CB-CD2 4.46Å; A165-Y674 HydrophobicContact CB-CE2 3.78Å
166	C	95.6	Very high	94.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-50.5	174.3	-67.7	0	0	0	0	111.5	L143 N144 D162 M163 I168 F169 E170	L143-C166 WeakPolarHBondContact CB-SG 3.25Å; N144-C166 PolarHBondContact N-SG 3.17Å; D162-C166 PolarHBondContact O-N 3.48Å; D162-C166 PolarHBondContact O-SG 3.27Å; M163-C166 WeakPolarHBondContact O-CB 3.44Å; M163-C166 PolarHBondContact O-N 2.92Å; M163-C166 HydrophobicContact SD-CB 4.22Å; C166-I168 PolarHBondContact O-N 2.93Å; C166-F169 PolarHBondContact O-N 3.21Å; C166-E170 WeakPolarHBondContact O-CB 3.08Å; C166-E170 WeakPolarHBondContact O-CG 3.23Å; C166-E170 PolarHBondContact O-N 2.86Å
167	C	93.3	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-42.3	-178	-67.6	0	0	0	0	112.1	M163 T164 A165 K171 F172 M181	M163-C167 PolarHBondContact O-N 3.02Å; M163-C167 PolarHBondContact O-SG 3.06Å; T164-C167 PolarHBondContact O-N 3.43Å; A165-C167 PolarHBondContact O-N 3.47Å; C167-K171 PolarHBondContact O-N 3.25Å; C167-K171 VanDerWaalsContact O-N 3.15Å; C167-F172 HydrophobicContact CB-CD1 3.81Å; C167-F172 HydrophobicContact CB-CE1 3.7Å; C167-F172 HydrophobicContact CB-CZ 4.41Å; C167-F172 PolarHBondContact O-N 3.19Å; C167-M181 HydrophobicContact CB-CE 3.93Å; C167-M181 HydrophobicContact CB-SD 4.27Å; C167-M181 WeakPolarHBondContact SG-CE 3.41Å
168	I	91	Very high	93.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-47.9	177.7	-70.3	173.2	0	0	0	110.9	T164 A165 C166 E170 K171 F172 V670 I676 I678 V681	T164-I168 HydrophobicContact CG2-CD1 3.93Å; T164-I168 WeakPolarHBondContact O-CG1 3.36Å; T164-I168 PolarHBondContact O-N 2.93Å; A165-I168 PolarHBondContact O-N 3.26Å; C166-I168 PolarHBondContact O-N 2.93Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 3.1Å; I168-K171 WeakPolarHBondContact O-CA 3.42Å; I168-K171 PolarHBondContact O-N 2.81Å; I168-F172 HydrophobicContact CG1-CE2 4.22Å; I168-F172 HydrophobicContact CG1-CZ 3.93Å; I168-V670 HydrophobicContact CD1-CB 4.4Å; I168-V670 HydrophobicContact CD1-CG1 3.82Å; I168-I676 HydrophobicContact CG2-CD1 3.69Å; I168-I676 HydrophobicContact CG2-CG2 4.08Å; I168-I678 HydrophobicContact CD1-CD1 4.39Å; I168-V681 HydrophobicContact CG2-CG2 4.26Å
169	F	91.8	Very high	93.6	Very high	46 Å²	46	39.6 Å²	39.6	20%	0.202	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-34.3	180	-70.5	-36.1	0	0	0	113.5	H138 L140 L143 A165 C166 K171 Y674 I676	H138-F169 AromaticContact CD2-CD1 3.76Å; H138-F169 AromaticContact CD2-CE1 3.12Å; H138-F169 WeakPolarHBondContact CD2-CE1 3.3Å; H138-F169 AromaticContact CD2-CZ 3.36Å; H138-F169 WeakPolarHBondContact CD2-CZ 3.48Å; H138-F169 AromaticContact NE2-CE1 3.48Å; H138-F169 WeakPolarHBondContact NE2-CE1 3.34Å; H138-F169 AromaticContact NE2-CZ 3.76Å; L140-F169 HydrophobicContact CD2-CB 3.59Å; L140-F169 HydrophobicContact CD2-CD2 4.09Å; L140-F169 HydrophobicContact CD2-CG 4.33Å; L143-F169 HydrophobicContact CD1-CD2 3.74Å; L143-F169 HydrophobicContact CD1-CE2 3.61Å; A165-F169 HydrophobicContact CB-CD2 4.49Å; A165-F169 HydrophobicContact CB-CE2 4.22Å; A165-F169 WeakPolarHBondContact O-CB 3.47Å; A165-F169 WeakPolarHBondContact O-CD2 3.49Å; A165-F169 VanDerWaalsContact O-CG 3.3Å; A165-F169 WeakPolarHBondContact O-CG 3.48Å; A165-F169 PolarHBondContact O-N 2.96Å; C166-F169 PolarHBondContact O-N 3.21Å; F169-K171 PolarHBondContact O-N 2.67Å; F169-Y674 HydrophobicContact CE1-CD1 4.49Å; F169-Y674 HydrophobicContact CE1-CG 4.33Å; F169-Y674 HydrophobicContact CE2-CD1 4.22Å; F169-Y674 HydrophobicContact CE2-CD2 4.48Å; F169-Y674 HydrophobicContact CE2-CE1 4.08Å; F169-Y674 HydrophobicContact CE2-CE2 4.39Å; F169-Y674 HydrophobicContact CE2-CG 4.4Å; F169-Y674 AromaticContact CZ-CD1 3.5Å; F169-Y674 HydrophobicContact CZ-CD1 3.5Å; F169-Y674 VanDerWaalsContact CZ-CD1 3.5Å; F169-Y674 AromaticContact CZ-CD2 3.98Å; F169-Y674 HydrophobicContact CZ-CD2 3.98Å; F169-Y674 AromaticContact CZ-CE1 3.83Å; F169-Y674 HydrophobicContact CZ-CE1 3.83Å; F169-Y674 HydrophobicContact CZ-CE2 4.3Å; F169-Y674 AromaticContact CZ-CG 3.56Å; F169-Y674 HydrophobicContact CZ-CG 3.56Å; F169-I676 HydrophobicContact CD1-CD1 3.97Å; F169-I676 HydrophobicContact CE1-CD1 3.39Å; F169-I676 HydrophobicContact CE1-CG1 4.36Å; F169-I676 HydrophobicContact CZ-CD1 4.13Å
170	E	91.2	Very high	93.5	Very high	47 Å²	47	40.7 Å²	40.7	22%	0.22	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	3.8	174.3	-66.3	176.3	142.9	0	0	112.9	L140 C166 I168 F172 K173 N174 N177	L140-E170 HydrophobicContact CD1-CG 3.84Å; L140-E170 HydrophobicContact CD2-CG 3.98Å; C166-E170 WeakPolarHBondContact O-CB 3.08Å; C166-E170 WeakPolarHBondContact O-CG 3.23Å; C166-E170 PolarHBondContact O-N 2.86Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 3.1Å; E170-F172 PolarHBondContact O-N 3.49Å; E170-K173 WeakPolarHBondContact O-CB 3.29Å; E170-K173 WeakPolarHBondContact O-CG 3.28Å; E170-K173 PolarHBondContact O-N 3.39Å; E170-K173 VanDerWaalsContact O-N 3.13Å; E170-N174 PolarHBondContact OE1-ND2 2.82Å; E170-N174 WeakPolarHBondContact OE2-CB 3.5Å; E170-N174 PolarHBondContact OE2-ND2 2.99Å; E170-N177 PolarHBondContact OE2-ND2 3.25Å
171	K	89.6	Confident	93.3	Very high	67 Å²	67	41.3 Å²	41.3	29%	0.291	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	39.7	-175.6	-55.7	-173.9	-172.2	-176.5	0	112.7	C167 I168 F169 K173 S684 I685 E688	C167-K171 PolarHBondContact O-N 3.25Å; C167-K171 VanDerWaalsContact O-N 3.15Å; I168-K171 WeakPolarHBondContact O-CA 3.42Å; I168-K171 PolarHBondContact O-N 2.81Å; F169-K171 PolarHBondContact O-N 2.67Å; K171-K173 PolarHBondContact O-N 3.33Å; K171-S684 PolarHBondContact NZ-OG 3.35Å; K171-I685 HydrophobicContact CB-CD1 4.15Å; K171-I685 HydrophobicContact CB-CG1 3.98Å; K171-E688 IonicContact NZ-OE1 2.59Å; K171-E688 PolarHBondContact NZ-OE1 2.94Å
172	F	88.1	Confident	93.1	Very high	74 Å²	74	43.2 Å²	43.2	33%	0.325	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	33.8	-179.5	-55.2	-91.9	0	0	0	113.8	C167 I168 E170 I178 M181 I685	C167-F172 HydrophobicContact CB-CD1 3.81Å; C167-F172 HydrophobicContact CB-CE1 3.7Å; C167-F172 HydrophobicContact CB-CZ 4.41Å; C167-F172 PolarHBondContact O-N 3.19Å; I168-F172 HydrophobicContact CG1-CE2 4.22Å; I168-F172 HydrophobicContact CG1-CZ 3.93Å; E170-F172 PolarHBondContact O-N 3.49Å; F172-I178 HydrophobicContact CB-CD1 3.99Å; F172-I178 HydrophobicContact CD1-CG1 4.4Å; F172-I178 VanDerWaalsContact O-CD1 3.28Å; F172-I178 WeakPolarHBondContact O-CD1 3.46Å; F172-M181 HydrophobicContact CE1-CE 4.18Å; F172-I685 HydrophobicContact CD2-CD1 4.01Å
173	K	88	Confident	93	Very high	137 Å²	137	48.5 Å²	48.5	60%	0.596	25%	0.249	S	C	*	.			trans	-88.2	-23.5	176	-65.6	179.9	-178.9	-178.3	0	113.5	E170 K171 A175 E688	E170-K173 WeakPolarHBondContact O-CB 3.29Å; E170-K173 WeakPolarHBondContact O-CG 3.28Å; E170-K173 PolarHBondContact O-N 3.39Å; E170-K173 VanDerWaalsContact O-N 3.13Å; K171-K173 PolarHBondContact O-N 3.33Å; K173-A175 PolarHBondContact O-N 3.47Å; K173-E688 VanDerWaalsContact CE-OE2 3.23Å; K173-E688 WeakPolarHBondContact CE-OE2 3.4Å; K173-E688 IonicContact NZ-OE1 3.69Å; K173-E688 IonicContact NZ-OE2 2.91Å; K173-E688 PolarHBondContact NZ-OE2 3.03Å
174	N	91.1	Very high	93	Very high	47 Å²	47	48.6 Å²	48.6	25%	0.251	25%	0.25	S	C	.	.			trans	-88.8	103	-177.4	-171.5	-20.7	0	0	0	110.5	E170 D176 N177 I178	E170-N174 PolarHBondContact OE1-ND2 2.82Å; E170-N174 WeakPolarHBondContact OE2-CB 3.5Å; E170-N174 PolarHBondContact OE2-ND2 2.99Å; N174-D176 VanDerWaalsContact C-N 3.3Å; N174-D176 PolarHBondContact O-N 3.33Å; N174-D176 PolarHBondContact OD1-N 2.97Å; N174-N177 HydrophobicContact CB-CB 4.24Å; N174-N177 PolarHBondContact ND2-ND2 3.15Å; N174-N177 VanDerWaalsContact ND2-ND2 3.15Å; N174-N177 PolarHBondContact O-N 3.38Å; N174-N177 PolarHBondContact OD1-N 3.35Å; N174-I178 WeakPolarHBondContact O-CG1 3.47Å; N174-I178 PolarHBondContact O-N 3.46Å
175	A	92.9	Very high	93	Very high	63 Å²	63	49.9 Å²	49.9	52%	0.521	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-36.9	-178.1	0	0	0	0	0	112.9	K173 N177 I178 V179	K173-A175 PolarHBondContact O-N 3.47Å; A175-N177 PolarHBondContact O-N 3.22Å; A175-I178 PolarHBondContact O-N 2.98Å; A175-V179 WeakPolarHBondContact O-CG2 3.41Å; A175-V179 PolarHBondContact O-N 3.38Å
176	D	93.9	Very high	93	Very high	128 Å²	128	55.6 Å²	55.6	68%	0.684	28%	0.281	S	S	*	.	H	α-helix	trans	-63.8	-43.9	-178.1	-63.1	-25.8	0	0	0	110.8	N174 I178 V179 F180	N174-D176 VanDerWaalsContact C-N 3.3Å; N174-D176 PolarHBondContact O-N 3.33Å; N174-D176 PolarHBondContact OD1-N 2.97Å; D176-I178 PolarHBondContact O-N 2.94Å; D176-V179 PolarHBondContact O-N 3.45Å; D176-F180 VanDerWaalsContact O-CB 3.3Å; D176-F180 WeakPolarHBondContact O-CB 3.49Å; D176-F180 PolarHBondContact O-N 2.98Å
177	N	93.2	Very high	93	Very high	6 Å²	6	57 Å²	57	3%	0.032	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-36.3	177.5	-72	-8.6	0	0	0	112.3	N144 M163 E170 N174 A175 F180 M181	N144-N177 PolarHBondContact ND2-OD1 3.01Å; M163-N177 HydrophobicContact SD-CB 3.67Å; E170-N177 PolarHBondContact OE2-ND2 3.25Å; N174-N177 HydrophobicContact CB-CB 4.24Å; N174-N177 PolarHBondContact ND2-ND2 3.15Å; N174-N177 VanDerWaalsContact ND2-ND2 3.15Å; N174-N177 PolarHBondContact O-N 3.38Å; N174-N177 PolarHBondContact OD1-N 3.35Å; A175-N177 PolarHBondContact O-N 3.22Å; N177-F180 PolarHBondContact O-N 2.98Å; N177-M181 WeakPolarHBondContact O-CB 3.34Å; N177-M181 PolarHBondContact O-N 3.46Å
178	I	92.1	Very high	93.2	Very high	58 Å²	58	57.1 Å²	57.1	30%	0.297	29%	0.29	S	S	.	.	H	α-helix	trans	-67.4	-46.7	177.5	-64.8	164.6	0	0	0	110.9	F172 N174 A175 D176 F180 M181 D182	F172-I178 HydrophobicContact CB-CD1 3.99Å; F172-I178 HydrophobicContact CD1-CG1 4.4Å; F172-I178 VanDerWaalsContact O-CD1 3.28Å; F172-I178 WeakPolarHBondContact O-CD1 3.46Å; N174-I178 WeakPolarHBondContact O-CG1 3.47Å; N174-I178 PolarHBondContact O-N 3.46Å; A175-I178 PolarHBondContact O-N 2.98Å; D176-I178 PolarHBondContact O-N 2.94Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 3.35Å; I178-M181 PolarHBondContact O-N 2.88Å; I178-D182 WeakPolarHBondContact O-CB 3.5Å; I178-D182 PolarHBondContact O-N 3.25Å
179	V	95	Very high	93.3	Very high	96 Å²	96	56.9 Å²	56.9	58%	0.582	29%	0.289	S	S	*	.	H	α-helix	trans	-62.5	-41.5	177.4	171.6	0	0	0	0	110.5	A175 D176 D182 Q183	A175-V179 WeakPolarHBondContact O-CG2 3.41Å; A175-V179 PolarHBondContact O-N 3.38Å; D176-V179 PolarHBondContact O-N 3.45Å; V179-D182 WeakPolarHBondContact O-CB 3.27Å; V179-D182 PolarHBondContact O-N 3.48Å; V179-Q183 PolarHBondContact O-N 3.42Å
180	F	95.5	Very high	93.4	Very high	23 Å²	23	59.5 Å²	59.5	10%	0.101	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-42.5	177.5	-175.2	-110.3	0	0	0	112.5	H148 E151 M163 D176 N177 I178 D182 Q183 V184	H148-F180 AromaticContact CE1-CE1 3.99Å; H148-F180 AromaticContact CE1-CZ 3.9Å; H148-F180 AromaticContact ND1-CZ 3.64Å; E151-F180 HydrophobicContact CB-CZ 3.79Å; E151-F180 HydrophobicContact CG-CE2 3.91Å; E151-F180 HydrophobicContact CG-CZ 3.69Å; E151-F180 VanDerWaalsContact OE2-CE2 3.23Å; E151-F180 WeakPolarHBondContact OE2-CE2 3.34Å; E151-F180 WeakPolarHBondContact OE2-CZ 3.46Å; M163-F180 HydrophobicContact CE-CD1 3.21Å; M163-F180 HydrophobicContact CE-CE1 3.49Å; M163-F180 VanDerWaalsContact CE-CE1 3.49Å; M163-F180 HydrophobicContact CE-CG 4.36Å; M163-F180 HydrophobicContact CG-CD1 3.87Å; M163-F180 HydrophobicContact SD-CD1 3.92Å; D176-F180 VanDerWaalsContact O-CB 3.3Å; D176-F180 WeakPolarHBondContact O-CB 3.49Å; D176-F180 PolarHBondContact O-N 2.98Å; N177-F180 PolarHBondContact O-N 2.98Å; I178-F180 VanDerWaalsContact C-N 3.3Å; I178-F180 PolarHBondContact O-N 3.35Å; F180-D182 VanDerWaalsContact C-N 3.35Å; F180-D182 PolarHBondContact O-N 3.44Å; F180-Q183 WeakPolarHBondContact O-CB 3.49Å; F180-Q183 PolarHBondContact O-N 2.97Å; F180-V184 HydrophobicContact CD1-CG2 4.41Å; F180-V184 HydrophobicContact CE1-CG2 4.13Å; F180-V184 HydrophobicContact CE2-CG2 4.49Å; F180-V184 HydrophobicContact CZ-CG2 4.18Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 2.98Å
181	M	93.9	Very high	93.5	Very high	19 Å²	19	61.6 Å²	61.6	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-43.9	173.2	-176.1	173.9	48.9	0	0	112.1	L160 M163 C167 F172 N177 I178 Q183 V184 L185	L160-M181 HydrophobicContact CD1-CG 4.08Å; M163-M181 HydrophobicContact CG-CB 3.78Å; M163-M181 HydrophobicContact CG-CG 4.46Å; C167-M181 HydrophobicContact CB-CE 3.93Å; C167-M181 HydrophobicContact CB-SD 4.27Å; C167-M181 WeakPolarHBondContact SG-CE 3.41Å; F172-M181 HydrophobicContact CE1-CE 4.18Å; N177-M181 WeakPolarHBondContact O-CB 3.34Å; N177-M181 PolarHBondContact O-N 3.46Å; I178-M181 PolarHBondContact O-N 2.88Å; M181-Q183 VanDerWaalsContact C-N 3.33Å; M181-Q183 PolarHBondContact O-N 3.07Å; M181-V184 PolarHBondContact O-N 3.4Å; M181-L185 HydrophobicContact CG-CD1 4.24Å; M181-L185 WeakPolarHBondContact O-CB 3.35Å; M181-L185 WeakPolarHBondContact O-CG 3.22Å; M181-L185 PolarHBondContact O-N 2.84Å
182	D	93	Very high	93.7	Very high	81 Å²	81	60.2 Å²	60.2	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-42.1	176.2	-174	89.5	0	0	0	111.5	K16 I178 V179 F180 L185 K186	K16-D182 IonicContact NZ-OD1 2.77Å; I178-D182 WeakPolarHBondContact O-CB 3.5Å; I178-D182 PolarHBondContact O-N 3.25Å; V179-D182 WeakPolarHBondContact O-CB 3.27Å; V179-D182 PolarHBondContact O-N 3.48Å; F180-D182 VanDerWaalsContact C-N 3.35Å; F180-D182 PolarHBondContact O-N 3.44Å; D182-L185 PolarHBondContact O-N 3.04Å; D182-K186 WeakPolarHBondContact O-CB 3.31Å; D182-K186 PolarHBondContact O-N 2.69Å
183	Q	95.5	Very high	93.9	Very high	119 Å²	119	56.7 Å²	56.7	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-42.3	175.1	-175.8	177.1	3	0	0	112.6	V179 F180 M181 K186 T187	V179-Q183 PolarHBondContact O-N 3.42Å; F180-Q183 WeakPolarHBondContact O-CB 3.49Å; F180-Q183 PolarHBondContact O-N 2.97Å; M181-Q183 VanDerWaalsContact C-N 3.33Å; M181-Q183 PolarHBondContact O-N 3.07Å; Q183-K186 PolarHBondContact O-N 3.48Å; Q183-T187 PolarHBondContact O-N 2.85Å; Q183-T187 PolarHBondContact O-OG1 3.16Å
184	V	97	Very high	93.8	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-46.5	176	173.1	0	0	0	0	110.4	W156 C159 L160 F180 M181 K186 T187 I188	W156-V184 HydrophobicContact CE3-CG1 4.44Å; C159-V184 HydrophobicContact CB-CG1 4.45Å; L160-V184 HydrophobicContact CB-CG1 3.93Å; L160-V184 HydrophobicContact CD1-CG1 4.39Å; F180-V184 HydrophobicContact CD1-CG2 4.41Å; F180-V184 HydrophobicContact CE1-CG2 4.13Å; F180-V184 HydrophobicContact CE2-CG2 4.49Å; F180-V184 HydrophobicContact CZ-CG2 4.18Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 2.98Å; M181-V184 PolarHBondContact O-N 3.4Å; V184-K186 PolarHBondContact O-N 3.37Å; V184-T187 WeakPolarHBondContact O-CB 3.23Å; V184-T187 PolarHBondContact O-N 3.2Å; V184-T187 VanDerWaalsContact O-N 3.15Å; V184-I188 HydrophobicContact CG1-CD1 3.78Å; V184-I188 HydrophobicContact CG1-CG1 4.44Å; V184-I188 WeakPolarHBondContact O-CG1 3.39Å; V184-I188 PolarHBondContact O-N 3.35Å
185	L	96.3	Very high	93.8	Very high	30 Å²	30	60 Å²	60	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-59.1	-44.7	176.5	-78.3	172.8	0	0	0	112.3	L160 M181 D182 T187 I188 G189 A659	L160-L185 HydrophobicContact CD1-CD1 4.41Å; L160-L185 HydrophobicContact CD1-CD2 3.55Å; L160-L185 HydrophobicContact CD1-CG 3.66Å; L160-L185 HydrophobicContact CD2-CD2 3.58Å; L160-L185 HydrophobicContact CG-CD2 4.22Å; M181-L185 HydrophobicContact CG-CD1 4.24Å; M181-L185 WeakPolarHBondContact O-CB 3.35Å; M181-L185 WeakPolarHBondContact O-CG 3.22Å; M181-L185 PolarHBondContact O-N 2.84Å; D182-L185 PolarHBondContact O-N 3.04Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 2.99Å; L185-I188 PolarHBondContact O-N 3.12Å; L185-G189 PolarHBondContact O-N 3.46Å; L185-A659 HydrophobicContact CB-CB 4.33Å; L185-A659 WeakPolarHBondContact CD2-O 3.49Å; L185-A659 WeakPolarHBondContact O-CB 3.4Å
186	K	94.8	Very high	93.5	Very high	119 Å²	119	59.1 Å²	59.1	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-42.1	175.6	-175	175.6	-178.5	175.4	0	111.6	D182 Q183 V184 G189 Q190	D182-K186 WeakPolarHBondContact O-CB 3.31Å; D182-K186 PolarHBondContact O-N 2.69Å; Q183-K186 PolarHBondContact O-N 3.48Å; V184-K186 PolarHBondContact O-N 3.37Å; K186-G189 PolarHBondContact O-N 2.85Å; K186-Q190 VanDerWaalsContact O-CG 3.25Å; K186-Q190 WeakPolarHBondContact O-CG 3.39Å; K186-Q190 PolarHBondContact O-N 3.32Å
187	T	95.9	Very high	93	Very high	31 Å²	31	56.1 Å²	56.1	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-45.8	179	-54.2	0	0	0	0	111.5	W156 Q183 V184 L185 Q190 Q191	W156-T187 HydrophobicContact CD2-CG2 4.05Å; W156-T187 HydrophobicContact CE3-CG2 4.45Å; W156-T187 HydrophobicContact CH2-CG2 4.2Å; W156-T187 HydrophobicContact CZ2-CG2 3.76Å; Q183-T187 PolarHBondContact O-N 2.85Å; Q183-T187 PolarHBondContact O-OG1 3.16Å; V184-T187 WeakPolarHBondContact O-CB 3.23Å; V184-T187 PolarHBondContact O-N 3.2Å; V184-T187 VanDerWaalsContact O-N 3.15Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 2.99Å; T187-Q190 PolarHBondContact O-N 2.9Å; T187-Q191 WeakPolarHBondContact O-CG 3.43Å; T187-Q191 PolarHBondContact O-N 3.4Å
188	I	96.5	Very high	92.4	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-46.7	176.1	-68.8	168.1	0	0	0	110.6	W156 L160 V184 L185 Q190 Q191 K192 E662	W156-I188 HydrophobicContact CB-CD1 3.88Å; W156-I188 HydrophobicContact CB-CG1 3.5Å; W156-I188 VanDerWaalsContact CB-CG1 3.5Å; W156-I188 HydrophobicContact CG-CG1 4.35Å; L160-I188 HydrophobicContact CB-CD1 3.85Å; L160-I188 HydrophobicContact CD2-CD1 3.73Å; L160-I188 HydrophobicContact CG-CD1 4.33Å; V184-I188 HydrophobicContact CG1-CD1 3.78Å; V184-I188 HydrophobicContact CG1-CG1 4.44Å; V184-I188 WeakPolarHBondContact O-CG1 3.39Å; V184-I188 PolarHBondContact O-N 3.35Å; L185-I188 PolarHBondContact O-N 3.12Å; I188-Q190 VanDerWaalsContact C-N 3.3Å; I188-Q190 PolarHBondContact O-N 3.19Å; I188-Q191 PolarHBondContact O-N 2.9Å; I188-K192 HydrophobicContact CG2-CD 3.8Å; I188-K192 HydrophobicContact CG2-CG 4.25Å; I188-K192 WeakPolarHBondContact O-CB 3.4Å; I188-K192 PolarHBondContact O-N 3.42Å; I188-E662 HydrophobicContact CG2-CB 4.21Å; I188-E662 HydrophobicContact CG2-CG 3.86Å
189	G	94.8	Very high	91.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55.1	-46.1	177.1	0	0	0	0	0	111.8	L185 K186 A193 S655	L185-G189 PolarHBondContact O-N 3.46Å; K186-G189 PolarHBondContact O-N 2.85Å; G189-A193 WeakPolarHBondContact O-CB 3.47Å; G189-A193 PolarHBondContact O-N 3.04Å; G189-S655 WeakPolarHBondContact CA-O 3.22Å
190	Q	93.1	Very high	91.2	Very high	100 Å²	100	62.3 Å²	62.3	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-44.5	178.7	-73.2	174.6	-16.6	0	0	112.5	K186 T187 I188 Q194 S655	K186-Q190 VanDerWaalsContact O-CG 3.25Å; K186-Q190 WeakPolarHBondContact O-CG 3.39Å; K186-Q190 PolarHBondContact O-N 3.32Å; T187-Q190 PolarHBondContact O-N 2.9Å; I188-Q190 VanDerWaalsContact C-N 3.3Å; I188-Q190 PolarHBondContact O-N 3.19Å; Q190-Q194 PolarHBondContact O-N 2.91Å; Q190-S655 WeakPolarHBondContact CA-OG 3.35Å; Q190-S655 WeakPolarHBondContact CG-OG 3.41Å; Q190-S655 PolarHBondContact N-OG 3.39Å; Q190-S655 VanDerWaalsContact N-OG 3.11Å
191	Q	93.5	Very high	90.3	Very high	92 Å²	92	67.8 Å²	67.8	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-52.7	179.4	-72.2	-173.2	-22	0	0	111.6	T187 I188 A193 Q194 E195	T187-Q191 WeakPolarHBondContact O-CG 3.43Å; T187-Q191 PolarHBondContact O-N 3.4Å; I188-Q191 PolarHBondContact O-N 2.9Å; Q191-A193 VanDerWaalsContact C-N 3.32Å; Q191-A193 PolarHBondContact O-N 3.42Å; Q191-Q194 WeakPolarHBondContact O-CB 3.21Å; Q191-Q194 PolarHBondContact O-N 3.46Å; Q191-Q194 VanDerWaalsContact O-N 3.14Å; Q191-E195 PolarHBondContact O-N 3.42Å
192	K	94.5	Very high	89.7	Confident	37 Å²	37	71.3 Å²	71.3	16%	0.161	35%	0.347	C	S	.	.	H	α-helix	trans	-66.9	-32.8	-179.9	-70.1	-173.5	-174.3	179.4	0	111.8	D157 I188 Q194 E195 E196 I658 E662	D157-K192 IonicContact OD1-NZ 2.69Å; D157-K192 PolarHBondContact OD1-NZ 2.93Å; I188-K192 HydrophobicContact CG2-CD 3.8Å; I188-K192 HydrophobicContact CG2-CG 4.25Å; I188-K192 WeakPolarHBondContact O-CB 3.4Å; I188-K192 PolarHBondContact O-N 3.42Å; K192-Q194 VanDerWaalsContact C-N 3.32Å; K192-Q194 PolarHBondContact O-N 2.98Å; K192-E195 PolarHBondContact O-N 3.14Å; K192-E196 VanDerWaalsContact O-CB 3.31Å; K192-E196 WeakPolarHBondContact O-CB 3.34Å; K192-E196 WeakPolarHBondContact O-CG 3.35Å; K192-E196 PolarHBondContact O-N 3.49Å; K192-I658 HydrophobicContact CB-CG2 3.75Å; K192-I658 HydrophobicContact CD-CG2 4.37Å; K192-E662 HydrophobicContact CD-CG 4.02Å; K192-E662 VanDerWaalsContact NZ-CD 3.31Å; K192-E662 IonicContact NZ-OE1 2.74Å; K192-E662 IonicContact NZ-OE2 2.64Å; K192-E662 PolarHBondContact NZ-OE2 3.13Å
193	A	91	Very high	89.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-39.9	172.1	0	0	0	0	0	112.1	G189 Q191 E195 R197 L654 I658	G189-A193 WeakPolarHBondContact O-CB 3.47Å; G189-A193 PolarHBondContact O-N 3.04Å; Q191-A193 VanDerWaalsContact C-N 3.32Å; Q191-A193 PolarHBondContact O-N 3.42Å; A193-E195 VanDerWaalsContact C-N 3.29Å; A193-E195 PolarHBondContact O-N 2.98Å; A193-R197 WeakPolarHBondContact O-CB 3.12Å; A193-R197 PolarHBondContact O-N 3.42Å; A193-L654 HydrophobicContact CB-CB 4.42Å; A193-L654 HydrophobicContact CB-CD2 4.01Å; A193-L654 HydrophobicContact CB-CG 3.84Å; A193-I658 HydrophobicContact CB-CD1 3.96Å
194	Q	87.4	Confident	89.2	Confident	137 Å²	137	67.1 Å²	67.1	64%	0.64	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-38	175.7	-170.3	64.7	22.2	0	0	111.9	Q190 Q191 K192	Q190-Q194 PolarHBondContact O-N 2.91Å; Q191-Q194 WeakPolarHBondContact O-CB 3.21Å; Q191-Q194 PolarHBondContact O-N 3.46Å; Q191-Q194 VanDerWaalsContact O-N 3.14Å; K192-Q194 VanDerWaalsContact C-N 3.32Å; K192-Q194 PolarHBondContact O-N 2.98Å
195	E	89.3	Confident	88.9	Confident	118 Å²	118	67.6 Å²	67.6	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-77	-41.9	-179.6	-65.1	173.6	-170.4	0	0	112.9	Q191 K192 A193 S198	Q191-E195 PolarHBondContact O-N 3.42Å; K192-E195 PolarHBondContact O-N 3.14Å; A193-E195 VanDerWaalsContact C-N 3.29Å; A193-E195 PolarHBondContact O-N 2.98Å; E195-S198 PolarHBondContact O-OG 2.93Å
196	E	88	Confident	88.6	Confident	43 Å²	43	67 Å²	67	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-82.5	-22.6	-175.6	-70.6	-177.3	-144.8	0	0	113	K192 S198 K199 L200 I658 R661	K192-E196 VanDerWaalsContact O-CB 3.31Å; K192-E196 WeakPolarHBondContact O-CB 3.34Å; K192-E196 WeakPolarHBondContact O-CG 3.35Å; K192-E196 PolarHBondContact O-N 3.49Å; E196-S198 PolarHBondContact O-N 3.36Å; E196-K199 WeakPolarHBondContact O-CA 3.45Å; E196-K199 WeakPolarHBondContact O-CB 3.34Å; E196-K199 PolarHBondContact O-N 2.87Å; E196-L200 PolarHBondContact O-N 2.84Å; E196-I658 HydrophobicContact CB-CD1 4.28Å; E196-R661 IonicContact OE1-CZ 2.65Å; E196-R661 IonicContact OE1-NH1 3.44Å; E196-R661 IonicContact OE1-NH2 3.22Å; E196-R661 PolarHBondContact OE1-NH2 2.73Å; E196-R661 IonicContact OE2-CZ 3.66Å; E196-R661 IonicContact OE2-NH1 3.49Å; E196-R661 PolarHBondContact OE2-NH1 3.1Å; E196-R661 IonicContact OE2-NH2 3.94Å; E196-R661 PolarHBondContact OE2-NH2 2.66Å
197	R	83.1	Confident	88.5	Confident	66 Å²	66	63.4 Å²	63.4	25%	0.249	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-53.5	-41.3	179.7	-172.9	-178.3	-170.6	83.6	6.2	112.5	A193 K199 L200 L654	A193-R197 WeakPolarHBondContact O-CB 3.12Å; A193-R197 PolarHBondContact O-N 3.42Å; R197-K199 PolarHBondContact O-N 2.82Å; R197-L200 PolarHBondContact O-N 3.04Å; R197-L654 HydrophobicContact CB-CD2 3.95Å; R197-L654 HydrophobicContact CG-CD2 4.35Å
198	S	80	Confident	88.3	Confident	101 Å²	101	62.2 Å²	62.2	71%	0.706	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.3	178.2	64.1	0	0	0	0	114.3	E195 E196	E195-S198 PolarHBondContact O-OG 2.93Å; E196-S198 PolarHBondContact O-N 3.36Å
199	K	82.5	Confident	87.9	Confident	152 Å²	152	63 Å²	63	66%	0.661	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-96.8	-11.9	-177.4	-56.6	174.6	-171.6	165.2	0	112.6	E196 R197 L201	E196-K199 WeakPolarHBondContact O-CA 3.45Å; E196-K199 WeakPolarHBondContact O-CB 3.34Å; E196-K199 PolarHBondContact O-N 2.87Å; R197-K199 PolarHBondContact O-N 2.82Å; K199-L201 PolarHBondContact O-N 3.03Å
200	L	80.3	Confident	87.8	Confident	36 Å²	36	63 Å²	63	19%	0.188	32%	0.316	C	S	.	.	S	Bend	trans	-65.1	132.2	179.8	-76.5	165.9	0	0	0	110.5	E196 R197 H202 I645 L654	E196-L200 PolarHBondContact O-N 2.84Å; R197-L200 PolarHBondContact O-N 3.04Å; L200-H202 PolarHBondContact O-N 3.22Å; L200-I645 HydrophobicContact CD2-CG2 4.07Å; L200-I645 WeakPolarHBondContact CD2-O 3.2Å; L200-L654 HydrophobicContact CD1-CD1 3.88Å; L200-L654 HydrophobicContact CD1-CD2 3.72Å; L200-L654 HydrophobicContact CD1-CG 4.44Å
201	L	77.1	Confident	87.7	Confident	139 Å²	139	63 Å²	63	73%	0.728	31%	0.312	S	S	*	.			trans	-72.7	121.3	173.2	-73.1	164.1	0	0	0	108.9	K199 E203	K199-L201 PolarHBondContact O-N 3.03Å; L201-E203 PolarHBondContact O-N 3.09Å
202	H	80.3	Confident	87.4	Confident	92 Å²	92	60.4 Å²	60.4	43%	0.426	30%	0.3	S	S	.	.			trans	-76.5	88.3	179.9	-62.4	105.5	0	0	0	111.1	L200 A413 R415	L200-H202 PolarHBondContact O-N 3.22Å; H202-A413 VanDerWaalsContact CA-O 3.27Å; H202-A413 WeakPolarHBondContact CA-O 3.49Å; H202-A413 HydrophobicContact CB-CB 4.48Å; H202-A413 VanDerWaalsContact CB-O 3.31Å; H202-A413 WeakPolarHBondContact CB-O 3.43Å; H202-A413 PolarHBondContact CD2-O 3.39Å; H202-R415 HydrophobicContact CB-CG 4.04Å
203	E	87.1	Confident	87.2	Confident	99 Å²	99	60.1 Å²	60.1	46%	0.463	30%	0.298	S	S	.	.			trans	-106.6	148	177.3	-69.1	-171.4	-165.8	0	0	112.5	L201 A413 K616	L201-E203 PolarHBondContact O-N 3.09Å; E203-A413 WeakPolarHBondContact O-CA 3.33Å; E203-K616 IonicContact OE2-NZ 3.94Å; E203-K616 PolarHBondContact OE2-NZ 3.16Å
204	L	91.3	Very high	87.2	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.073	31%	0.307	C	S	.	.			trans	-65.3	144.4	171	-74.6	174.9	0	0	0	111.4	I210 A302 Y409 L412 A413 K616	L204-I210 HydrophobicContact CB-CD1 4.22Å; L204-I210 HydrophobicContact CD2-CD1 4.34Å; L204-A302 HydrophobicContact CD1-CB 3.85Å; L204-Y409 HydrophobicContact CD1-CD1 4.3Å; L204-Y409 HydrophobicContact CD2-CD1 3.85Å; L204-Y409 HydrophobicContact CD2-CG 4.38Å; L204-L412 HydrophobicContact CD2-CB 4.26Å; L204-A413 HydrophobicContact CD2-CB 4.16Å; L204-K616 PolarHBondContact O-NZ 3.36Å
205	P	89.9	Confident	87.2	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.071	30%	0.301	C	S	.	.			trans	-70.3	177.4	173.7	30.3	-33.2	0	0	0	110.9	F209 I210 L412	P205-F209 HydrophobicContact CB-CB 4.23Å; P205-F209 HydrophobicContact CB-CD1 3.72Å; P205-F209 HydrophobicContact CB-CE1 4.38Å; P205-F209 HydrophobicContact CB-CG 4.11Å; P205-F209 HydrophobicContact CG-CD1 3.48Å; P205-F209 VanDerWaalsContact CG-CD1 3.48Å; P205-F209 HydrophobicContact CG-CE1 4.01Å; P205-F209 HydrophobicContact CG-CG 4.33Å; P205-I210 HydrophobicContact CG-CD1 4.19Å; P205-I210 HydrophobicContact CG-CG1 3.76Å; P205-L412 WeakPolarHBondContact CD-O 3.4Å; P205-L412 HydrophobicContact CG-CB 4.27Å
206	S	91.2	Very high	87.1	Confident	18 Å²	18	54 Å²	54	13%	0.126	28%	0.283	C	S	.	.			trans	-58.1	150.7	179.1	67.4	0	0	0	0	112.9	S208 F209 I210 D614	S206-S208 PolarHBondContact O-N 3.34Å; S206-F209 WeakPolarHBondContact O-CB 3.35Å; S206-F209 PolarHBondContact O-N 3.09Å; S206-F209 PolarHBondContact OG-N 2.97Å; S206-I210 PolarHBondContact O-N 3.45Å; S206-D614 VanDerWaalsContact CB-CG 3.46Å; S206-D614 WeakPolarHBondContact CB-OD1 3.24Å; S206-D614 WeakPolarHBondContact CB-OD2 3.26Å; S206-D614 PolarHBondContact OG-OD1 2.89Å; S206-D614 PolarHBondContact OG-OD2 3.45Å
207	A	92.4	Very high	87.2	Confident	44 Å²	44	53 Å²	53	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-38.6	179.1	0	0	0	0	0	111.9	F209 I210 R211 Y298	A207-F209 VanDerWaalsContact C-N 3.31Å; A207-F209 PolarHBondContact O-N 2.87Å; A207-I210 PolarHBondContact O-N 2.91Å; A207-R211 VanDerWaalsContact O-CB 3.3Å; A207-R211 WeakPolarHBondContact O-CB 3.42Å; A207-R211 PolarHBondContact O-N 3.4Å; A207-Y298 HydrophobicContact CB-CD2 3.84Å; A207-Y298 HydrophobicContact CB-CE2 3.81Å; A207-Y298 VanDerWaalsContact O-CE2 3.32Å; A207-Y298 WeakPolarHBondContact O-CE2 3.44Å
208	S	90.2	Very high	87.5	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-57.7	-43.4	174.9	-161.3	0	0	0	0	112	S206 R211 N212 D581 S582	S206-S208 PolarHBondContact O-N 3.34Å; S208-R211 PolarHBondContact OG-NH2 3.19Å; S208-N212 WeakPolarHBondContact O-CB 3.41Å; S208-N212 PolarHBondContact O-N 3.38Å; S208-D581 WeakPolarHBondContact CB-O 3.19Å; S208-D581 WeakPolarHBondContact CB-OD1 3.41Å; S208-D581 PolarHBondContact OG-OD1 3.49Å; S208-S582 WeakPolarHBondContact OG-CA 3.38Å; S208-S582 WeakPolarHBondContact OG-CB 3.35Å
209	F	90.1	Very high	87.9	Confident	18 Å²	18	47.3 Å²	47.3	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-46.7	176.2	-176.8	-87.8	0	0	0	112.4	P205 S206 A207 N212 Y213 L412 K649	P205-F209 HydrophobicContact CB-CB 4.23Å; P205-F209 HydrophobicContact CB-CD1 3.72Å; P205-F209 HydrophobicContact CB-CE1 4.38Å; P205-F209 HydrophobicContact CB-CG 4.11Å; P205-F209 HydrophobicContact CG-CD1 3.48Å; P205-F209 VanDerWaalsContact CG-CD1 3.48Å; P205-F209 HydrophobicContact CG-CE1 4.01Å; P205-F209 HydrophobicContact CG-CG 4.33Å; S206-F209 WeakPolarHBondContact O-CB 3.35Å; S206-F209 PolarHBondContact O-N 3.09Å; S206-F209 PolarHBondContact OG-N 2.97Å; A207-F209 VanDerWaalsContact C-N 3.31Å; A207-F209 PolarHBondContact O-N 2.87Å; F209-N212 PolarHBondContact O-N 2.97Å; F209-Y213 WeakPolarHBondContact O-CB 3.39Å; F209-Y213 PolarHBondContact O-N 3.38Å; F209-L412 HydrophobicContact CD1-CD2 4.46Å; F209-L412 HydrophobicContact CE1-CD2 3.82Å; F209-K649 HydrophobicContact CZ-CD 4.18Å
210	I	91.2	Very high	88.2	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-43.9	-178.7	-59.5	175.7	0	0	0	110.4	L204 P205 S206 A207 N212 Y213 L214 Y298 Y409 L412	L204-I210 HydrophobicContact CB-CD1 4.22Å; L204-I210 HydrophobicContact CD2-CD1 4.34Å; P205-I210 HydrophobicContact CG-CD1 4.19Å; P205-I210 HydrophobicContact CG-CG1 3.76Å; S206-I210 PolarHBondContact O-N 3.45Å; A207-I210 PolarHBondContact O-N 2.91Å; I210-N212 PolarHBondContact O-N 3.39Å; I210-Y213 PolarHBondContact O-N 2.9Å; I210-L214 HydrophobicContact CG2-CD1 3.96Å; I210-L214 HydrophobicContact CG2-CG 4.28Å; I210-L214 WeakPolarHBondContact O-CG 3.44Å; I210-L214 PolarHBondContact O-N 3.46Å; I210-Y298 HydrophobicContact CB-CD1 4.31Å; I210-Y298 HydrophobicContact CB-CD2 3.74Å; I210-Y298 HydrophobicContact CB-CE1 4.36Å; I210-Y298 HydrophobicContact CB-CE2 3.77Å; I210-Y298 HydrophobicContact CB-CG 4.01Å; I210-Y298 HydrophobicContact CD1-CD2 3.8Å; I210-Y298 HydrophobicContact CD1-CG 3.73Å; I210-Y298 HydrophobicContact CG1-CD2 4.3Å; I210-Y298 HydrophobicContact CG1-CG 4.46Å; I210-Y298 HydrophobicContact CG2-CD1 3.53Å; I210-Y298 HydrophobicContact CG2-CD2 3.91Å; I210-Y298 HydrophobicContact CG2-CE1 3.62Å; I210-Y298 HydrophobicContact CG2-CE2 3.97Å; I210-Y298 HydrophobicContact CG2-CG 3.68Å; I210-Y409 HydrophobicContact CG2-CE1 4.36Å; I210-L412 HydrophobicContact CG1-CD1 4.35Å; I210-L412 HydrophobicContact CG2-CD1 4.24Å
211	R	90.5	Very high	88.7	Confident	100 Å²	100	41.4 Å²	41.4	38%	0.377	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-49.6	176.6	-171.5	172.9	60.8	-117.9	-3.1	111.3	A207 S208 Y213 L214 S215 Y298 D581	A207-R211 VanDerWaalsContact O-CB 3.3Å; A207-R211 WeakPolarHBondContact O-CB 3.42Å; A207-R211 PolarHBondContact O-N 3.4Å; S208-R211 PolarHBondContact OG-NH2 3.19Å; R211-Y213 VanDerWaalsContact C-N 3.32Å; R211-Y213 PolarHBondContact O-N 3.25Å; R211-L214 PolarHBondContact O-N 2.98Å; R211-S215 WeakPolarHBondContact O-CB 3.25Å; R211-S215 PolarHBondContact O-N 2.92Å; R211-S215 PolarHBondContact O-OG 3.01Å; R211-S215 VanDerWaalsContact O-OG 3.11Å; R211-Y298 WeakPolarHBondContact CA-OH 3.17Å; R211-Y298 WeakPolarHBondContact CB-OH 3.39Å; R211-D581 IonicContact CZ-OD1 2.73Å; R211-D581 IonicContact CZ-OD2 2.88Å; R211-D581 VanDerWaalsContact CZ-OD2 3.32Å; R211-D581 IonicContact NH1-OD2 2.78Å; R211-D581 PolarHBondContact NH1-OD2 3.43Å; R211-D581 IonicContact NH2-OD1 3.32Å; R211-D581 PolarHBondContact NH2-OD1 2.91Å; R211-D581 IonicContact NH2-OD2 2.82Å; R211-D581 PolarHBondContact NH2-OD2 3.07Å
212	N	88.4	Confident	89.2	Confident	37 Å²	37	35.3 Å²	35.3	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-39.3	178.3	-170.1	43.7	0	0	0	112.1	S208 F209 I210 S215 A216	S208-N212 WeakPolarHBondContact O-CB 3.41Å; S208-N212 PolarHBondContact O-N 3.38Å; F209-N212 PolarHBondContact O-N 2.97Å; I210-N212 PolarHBondContact O-N 3.39Å; N212-S215 WeakPolarHBondContact CA-OG 3.2Å; N212-S215 PolarHBondContact O-N 3.39Å; N212-S215 PolarHBondContact O-OG 3.46Å; N212-A216 PolarHBondContact O-N 3.48Å
213	Y	90.4	Very high	88.7	Confident	30 Å²	30	33.3 Å²	33.3	12%	0.118	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-44.9	176.8	173.3	-96.1	0	0	0	112.5	M1 F209 I210 R211 A216 F217 T408 L412 K444	M1-Y213 VanDerWaalsContact N-CD2 3.35Å; F209-Y213 WeakPolarHBondContact O-CB 3.39Å; F209-Y213 PolarHBondContact O-N 3.38Å; I210-Y213 PolarHBondContact O-N 2.9Å; R211-Y213 VanDerWaalsContact C-N 3.32Å; R211-Y213 PolarHBondContact O-N 3.25Å; Y213-A216 WeakPolarHBondContact O-CB 3.45Å; Y213-A216 PolarHBondContact O-N 3.39Å; Y213-F217 HydrophobicContact CE1-CE2 4.43Å; Y213-T408 HydrophobicContact CD1-CG2 4.39Å; Y213-T408 HydrophobicContact CE1-CG2 3.61Å; Y213-L412 HydrophobicContact CD1-CD1 3.98Å; Y213-L412 HydrophobicContact CD1-CD2 4.09Å; Y213-L412 HydrophobicContact CD2-CD2 4.4Å; Y213-L412 HydrophobicContact CE1-CD1 4.23Å; Y213-L412 HydrophobicContact CE1-CD2 4.33Å; Y213-L412 HydrophobicContact CG-CD2 4.12Å; Y213-K444 VanDerWaalsContact CE1-NZ 3.34Å; Y213-K444 PolarHBondContact OH-NZ 2.88Å
214	L	90.2	Very high	86.8	Confident	33 Å²	33	31 Å²	31	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-69.9	-34.3	179.2	-66.9	176.3	0	0	0	112.1	I210 R211 A216 F222 M293 Y298 T408	I210-L214 HydrophobicContact CG2-CD1 3.96Å; I210-L214 HydrophobicContact CG2-CG 4.28Å; I210-L214 WeakPolarHBondContact O-CG 3.44Å; I210-L214 PolarHBondContact O-N 3.46Å; R211-L214 PolarHBondContact O-N 2.98Å; L214-A216 PolarHBondContact O-N 3.15Å; L214-F222 HydrophobicContact CD2-CE2 4.15Å; L214-M293 HydrophobicContact CD1-CG 4.07Å; L214-M293 HydrophobicContact CD1-SD 4.2Å; L214-Y298 HydrophobicContact CD1-CE1 3.99Å; L214-T408 HydrophobicContact CD2-CG2 4.4Å
215	S	87.1	Confident	84	Confident	74 Å²	74	32.3 Å²	32.3	52%	0.517	19%	0.188	S	C	.	.	H	α-helix	trans	-73.8	-9.1	178	60.4	0	0	0	0	114.6	R211 N212 F217	R211-S215 WeakPolarHBondContact O-CB 3.25Å; R211-S215 PolarHBondContact O-N 2.92Å; R211-S215 PolarHBondContact O-OG 3.01Å; R211-S215 VanDerWaalsContact O-OG 3.11Å; N212-S215 WeakPolarHBondContact CA-OG 3.2Å; N212-S215 PolarHBondContact O-N 3.39Å; N212-S215 PolarHBondContact O-OG 3.46Å; S215-F217 PolarHBondContact O-N 2.99Å
216	A	87.4	Confident	81.1	Confident	21 Å²	21	35.8 Å²	35.8	17%	0.174	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.9	-178.8	0	0	0	0	0	113.8	N212 Y213 L214 F507	N212-A216 PolarHBondContact O-N 3.48Å; Y213-A216 WeakPolarHBondContact O-CB 3.45Å; Y213-A216 PolarHBondContact O-N 3.39Å; L214-A216 PolarHBondContact O-N 3.15Å; A216-F507 WeakPolarHBondContact O-CZ 3.24Å
217	F	90.3	Very high	78.1	Confident	21 Å²	21	39.1 Å²	39.1	9%	0.092	24%	0.236	C	C	.	.			trans	-94.3	131.5	179.8	-65.8	-92.4	0	0	0	111.1	Y213 S215 N440 I443 K444 D475 H479	Y213-F217 HydrophobicContact CE1-CE2 4.43Å; S215-F217 PolarHBondContact O-N 2.99Å; F217-N440 WeakPolarHBondContact CD1-ND2 3.47Å; F217-N440 WeakPolarHBondContact CE1-ND2 3.36Å; F217-I443 HydrophobicContact CE1-CG2 4.07Å; F217-K444 HydrophobicContact CZ-CG 4.43Å; F217-D475 WeakPolarHBondContact CA-OD1 3.49Å; F217-D475 HydrophobicContact CD1-CB 4.34Å; F217-H479 AromaticContact CD1-NE2 3.5Å; F217-H479 AromaticContact CE1-CD2 3.73Å; F217-H479 AromaticContact CE1-NE2 3.24Å; F217-H479 WeakPolarHBondContact CE1-NE2 3.36Å; F217-H479 AromaticContact CZ-NE2 3.62Å
218	A	89.8	Confident	75.2	Confident	20 Å²	20	45.2 Å²	45.2	17%	0.165	26%	0.257	C	S	.	.	S	Bend	trans	-67.9	-35	172.3	0	0	0	0	0	112.5	P474 D475 K504 F507	A218-P474 HydrophobicContact CB-CG 3.93Å; A218-D475 WeakPolarHBondContact CB-OD1 3.38Å; A218-D475 PolarHBondContact N-OD1 3.43Å; A218-D475 PolarHBondContact N-OD2 3.09Å; A218-K504 HydrophobicContact CB-CD 3.68Å; A218-K504 PolarHBondContact O-NZ 3.36Å; A218-K504 VanDerWaalsContact O-NZ 3.14Å; A218-F507 HydrophobicContact CB-CD1 3.87Å; A218-F507 HydrophobicContact CB-CD2 4.23Å; A218-F507 HydrophobicContact CB-CE1 3.55Å; A218-F507 HydrophobicContact CB-CE2 3.95Å; A218-F507 HydrophobicContact CB-CG 4.19Å; A218-F507 HydrophobicContact CB-CZ 3.59Å
219	C	89.1	Confident	72.5	Confident	27 Å²	27	47.7 Å²	47.7	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-107.9	105.3	177.6	-64.3	0	0	0	0	109.4	P221 V436 W470 D475	C219-P221 VanDerWaalsContact O-CD 3.26Å; C219-P221 WeakPolarHBondContact O-CD 3.41Å; C219-V436 HydrophobicContact CB-CG1 4.02Å; C219-W470 HydrophobicContact CB-CH2 4.38Å; C219-W470 HydrophobicContact CB-CZ3 4.46Å; C219-D475 WeakPolarHBondContact CB-OD2 3.48Å; C219-D475 PolarHBondContact N-OD2 3.48Å
220	N	88	Confident	69.5	Low	58 Å²	58	51.7 Å²	51.7	31%	0.31	30%	0.3	S	S	.	.			trans	-78.3	112.4	179.3	-176.6	-12.9	0	0	0	110.4	F222 T223 V224	N220-F222 PolarHBondContact O-N 2.81Å; N220-F222 VanDerWaalsContact O-N 3.08Å; N220-F222 WeakPolarHBondContact OD1-CA 3.33Å; N220-F222 WeakPolarHBondContact OD1-CB 3.42Å; N220-F222 PolarHBondContact OD1-N 3.45Å; N220-T223 WeakPolarHBondContact CB-OG1 3.39Å; N220-T223 VanDerWaalsContact ND2-CG2 3.3Å; N220-T223 WeakPolarHBondContact ND2-CG2 3.49Å; N220-T223 PolarHBondContact ND2-OG1 3.34Å; N220-V224 WeakPolarHBondContact O-CG2 3.3Å
221	P	89.8	Confident	66.7	Low	7 Å²	7	61.1 Å²	61.1	5%	0.045	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.1	-179.4	31.9	-37.7	0	0	0	113.4	C219 Q401 L404 V436 V437 N440	C219-P221 VanDerWaalsContact O-CD 3.26Å; C219-P221 WeakPolarHBondContact O-CD 3.41Å; P221-Q401 PolarHBondContact O-NE2 2.59Å; P221-L404 HydrophobicContact CB-CD2 3.65Å; P221-L404 HydrophobicContact CG-CD2 3.78Å; P221-V436 HydrophobicContact CB-CG1 4.13Å; P221-V437 HydrophobicContact CB-CG2 4.11Å; P221-N440 HydrophobicContact CB-CB 4.28Å; P221-N440 HydrophobicContact CG-CB 4.27Å
222	F	88.7	Confident	63.7	Low	10 Å²	10	63.7 Å²	63.7	4%	0.044	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	2.4	-171.9	-49.7	-57.3	0	0	0	114.5	L214 N220 L290 M293 Q401 L404 L405	L214-F222 HydrophobicContact CD2-CE2 4.15Å; N220-F222 PolarHBondContact O-N 2.81Å; N220-F222 VanDerWaalsContact O-N 3.08Å; N220-F222 WeakPolarHBondContact OD1-CA 3.33Å; N220-F222 WeakPolarHBondContact OD1-CB 3.42Å; N220-F222 PolarHBondContact OD1-N 3.45Å; F222-L290 HydrophobicContact CB-CD2 3.99Å; F222-L290 HydrophobicContact CD1-CD2 4.45Å; F222-L290 HydrophobicContact CG-CD2 4.48Å; F222-M293 HydrophobicContact CB-CE 3.68Å; F222-M293 HydrophobicContact CB-SD 4.23Å; F222-M293 HydrophobicContact CD2-CE 4.35Å; F222-M293 HydrophobicContact CD2-SD 3.86Å; F222-M293 HydrophobicContact CG-CE 4.26Å; F222-M293 HydrophobicContact CG-SD 4.15Å; F222-Q401 HydrophobicContact CD1-CG 4.2Å; F222-L404 HydrophobicContact CE1-CB 4.35Å; F222-L404 HydrophobicContact CE1-CD2 4.08Å; F222-L404 HydrophobicContact CE1-CG 4.13Å; F222-L404 HydrophobicContact CZ-CD2 4.15Å; F222-L404 HydrophobicContact CZ-CG 4.06Å; F222-L405 HydrophobicContact CD1-CB 4.2Å; F222-L405 HydrophobicContact CD2-CD1 4.38Å; F222-L405 HydrophobicContact CE1-CB 3.55Å; F222-L405 HydrophobicContact CE1-CD1 4.12Å; F222-L405 HydrophobicContact CE1-CG 4.36Å; F222-L405 HydrophobicContact CE2-CD1 3.92Å; F222-L405 HydrophobicContact CZ-CB 3.9Å; F222-L405 HydrophobicContact CZ-CD1 3.78Å; F222-L405 HydrophobicContact CZ-CG 4.44Å
223	T	69.8	Low	60.8	Low	51 Å²	51	69.3 Å²	69.3	31%	0.313	39%	0.387	S	S	.	.	S	Bend	trans	-130.1	8.6	-179.5	59.6	0	0	0	0	114.9	N220 T225	N220-T223 WeakPolarHBondContact CB-OG1 3.39Å; N220-T223 VanDerWaalsContact ND2-CG2 3.3Å; N220-T223 WeakPolarHBondContact ND2-CG2 3.49Å; N220-T223 PolarHBondContact ND2-OG1 3.34Å; T223-T225 PolarHBondContact O-N 2.92Å
224	V	45.9	Very low	57.6	Low	50 Å²	50	72.8 Å²	72.8	30%	0.303	42%	0.415	S	S	.	.			trans	-87.7	119.2	-167.9	176	0	0	0	0	113.1	N220 L229	N220-V224 WeakPolarHBondContact O-CG2 3.3Å; V224-L229 HydrophobicContact CG1-CD1 4.24Å
225	T	32.9	Very low	54.8	Low	41 Å²	41	77.2 Å²	77.2	25%	0.252	45%	0.446	S	S	.	.			trans	-65.6	130.4	157.3	-43.8	0	0	0	0	110.8	T223 S227 Q228 N266	T223-T225 PolarHBondContact O-N 2.92Å; T225-S227 WeakPolarHBondContact CG2-OG 3.35Å; T225-S227 PolarHBondContact O-N 3.05Å; T225-Q228 PolarHBondContact O-N 3.38Å; T225-N266 HydrophobicContact CG2-CB 3.82Å; T225-N266 WeakPolarHBondContact CG2-ND2 3.15Å; T225-N266 WeakPolarHBondContact OG1-CB 3.14Å; T225-N266 VanDerWaalsContact OG1-CG 3.26Å; T225-N266 PolarHBondContact OG1-ND2 3.27Å
226	S	30	Very low	51.7	Low	85 Å²	85	79.7 Å²	79.7	59%	0.594	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-56.2	-10.2	-179.6	-41.3	0	0	0	0	115.4	Q228	S226-Q228 PolarHBondContact O-N 2.88Å
227	S	28.2	Very low	48.7	Very low	87 Å²	87	86.9 Å²	86.9	61%	0.608	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-74.3	-18	-176.7	61.9	0	0	0	0	115.3	T225 L229	T225-S227 WeakPolarHBondContact CG2-OG 3.35Å; T225-S227 PolarHBondContact O-N 3.05Å; S227-L229 VanDerWaalsContact C-N 3.34Å; S227-L229 PolarHBondContact O-N 3.35Å
228	Q	30.4	Very low	45.6	Very low	172 Å²	172	91.3 Å²	91.3	80%	0.804	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-83.2	-3.6	179.8	-71.5	-167	-17.5	0	0	114.7	T225 S226	T225-Q228 PolarHBondContact O-N 3.38Å; S226-Q228 PolarHBondContact O-N 2.88Å
229	L	33.6	Very low	42.3	Very low	58 Å²	58	98.1 Å²	98.1	30%	0.304	55%	0.549	S	S	.	.	S	Bend	trans	-121.6	-3.7	-170	-78.5	151.7	0	0	0	115.6	V224 S227 K231 L435 V436	V224-L229 HydrophobicContact CG1-CD1 4.24Å; S227-L229 VanDerWaalsContact C-N 3.34Å; S227-L229 PolarHBondContact O-N 3.35Å; L229-K231 PolarHBondContact O-N 2.88Å; L229-L435 HydrophobicContact CD2-CD2 4.08Å; L229-V436 HydrophobicContact CD1-CG2 3.82Å
230	S	27.8	Very low	39.1	Very low	103 Å²	103	106 Å²	106	72%	0.72	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-70	0.9	-176.5	69.3	0	0	0	0	115.5	H232	S230-H232 VanDerWaalsContact C-N 3.33Å; S230-H232 PolarHBondContact O-N 2.74Å
231	K	32.2	Very low	35.9	Very low	199 Å²	199	109.1 Å²	109.1	87%	0.865	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-81.4	-1.2	176.1	-74.5	-171.7	177.4	-178.7	0	115.3	L229	L229-K231 PolarHBondContact O-N 2.88Å
232	H	27.6	Very low	32.7	Very low	153 Å²	153	113.9 Å²	113.9	71%	0.708	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-110.6	6.2	-174.8	-93.4	-64.9	0	0	0	117.7	S230 S234	S230-H232 VanDerWaalsContact C-N 3.33Å; S230-H232 PolarHBondContact O-N 2.74Å; H232-S234 PolarHBondContact O-N 3.36Å
233	N	26.9	Very low	29.4	Very low	156 Å²	156	118.7 Å²	118.7	83%	0.834	67%	0.672	S	S	*	*	S	Bend	trans	-99.7	65.7	169.2	-74	-10.1	0	0	0	111.2
234	S	24.1	Very low	27	Very low	102 Å²	102	123.7 Å²	123.7	71%	0.713	70%	0.697	S	S	*	*			trans	-158.5	114.3	159.3	-74.9	0	0	0	0	108.7	H232 T236	H232-S234 PolarHBondContact O-N 3.36Å; S234-T236 PolarHBondContact O-N 3.27Å
235	P	31.5	Very low	25.7	Very low	127 Å²	127	124.5 Å²	124.5	83%	0.825	72%	0.715	S	S	*	*			trans	-87.4	96	-180	32	-26.9	0	0	0	108.7
236	T	22.3	Very low	25.2	Very low	126 Å²	126	128.7 Å²	128.7	77%	0.773	74%	0.74	S	S	*	*			trans	-176.8	140.2	152.5	11.6	0	0	0	0	113	S234	S234-T236 PolarHBondContact O-N 3.27Å
237	E	24	Very low	24.9	Very low	171 Å²	171	130.6 Å²	130.6	80%	0.799	75%	0.748	S	S	*	*			trans	90.5	98.4	149.1	-70.3	179.5	-176.7	0	0	121.4
238	T	24.2	Very low	24.5	Very low	114 Å²	114	132.6 Å²	132.6	70%	0.699	75%	0.752	S	S	*	*				75.9	93.4	125	-34.8	0	0	0	0	118.1	K240	T238-K240 PolarHBondContact O-N 3.06Å
239	I	21.4	Very low	24.1	Very low	163 Å²	163	131.4 Å²	131.4	84%	0.836	75%	0.751	S	S	*	*			trans	-48.3	104.5	161.4	-59.2	164.4	0	0	0	109.5
240	K	21.9	Very low	23.8	Very low	192 Å²	192	137.6 Å²	137.6	84%	0.835	78%	0.778	S	S	*	*			trans	-104	108.9	159.2	-81	-174.2	178.6	177	0	108.7	T238 A242	T238-K240 PolarHBondContact O-N 3.06Å; K240-A242 PolarHBondContact O-N 2.96Å
241	T	21.4	Very low	23.6	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	78%	0.78	S	S	*	*			trans	-48.8	113.3	166.5	46.1	0	0	0	0	111.2
242	A	21	Very low	23.1	Very low	107 Å²	107	136 Å²	136	88%	0.884	78%	0.783	S	S	*	*			trans	-106.8	107.3	163.4	0	0	0	0	0	108.1	K240	K240-A242 PolarHBondContact O-N 2.96Å
243	V	19.5	Very low	22.9	Very low	111 Å²	111	133.5 Å²	133.5	67%	0.673	78%	0.782	S	S	*	*			trans	-108.5	130.5	179.4	165.2	0	0	0	0	107.2
244	N	19.9	Very low	22.7	Very low	157 Å²	157	133.1 Å²	133.1	84%	0.84	78%	0.78	S	S	*	*			trans	68.8	128	155.3	-63.3	-13.8	0	0	0	120.7
245	G	19.4	Very low	22.5	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	79%	0.79	S	S	*	*				124.3	101.6	108.6	0	0	0	0	0	117
246	V	21.2	Very low	22.2	Very low	129 Å²	129	136.7 Å²	136.7	78%	0.782	79%	0.787	S	S	*	*				39	121.7	127.9	-173.1	0	0	0	0	118.9
247	T	23.6	Very low	22.1	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	78%	0.784	S	S	*	*			trans	-169.2	109.6	135.1	46.3	0	0	0	0	106.8
248	D	21.7	Very low	22	Very low	130 Å²	130	133.7 Å²	133.7	70%	0.695	79%	0.785	S	S	*	*				90.3	119.1	87.4	-75.6	-20.1	0	0	0	113.3
249	D	21.4	Very low	21.9	Very low	147 Å²	147	135 Å²	135	79%	0.786	79%	0.793	S	S	*	*			trans	27.2	104.6	149.8	-67.5	-25.6	0	0	0	119.4
250	H	25.9	Very low	21.9	Very low	187 Å²	187	136 Å²	136	87%	0.866	79%	0.794	S	S	*	*			trans	-140.9	135.5	140.2	-83.7	-54.7	0	0	0	111.6
251	P	24.9	Very low	21.8	Very low	118 Å²	118	134.8 Å²	134.8	77%	0.766	80%	0.796	S	S	*	*			trans	-79.5	147.4	-169.6	32.9	-33.7	0	0	0	112.1	S253	P251-S253 PolarHBondContact O-N 3.17Å
252	V	21.8	Very low	21.9	Very low	151 Å²	151	134.4 Å²	134.4	92%	0.915	80%	0.796	S	S	*	*			trans	-36.4	115.3	171.2	-178.8	0	0	0	0	112.6
253	S	22.2	Very low	22	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	79%	0.791	S	S	*	*			trans	-146.2	124.5	152.5	84.4	0	0	0	0	111	P251	P251-S253 PolarHBondContact O-N 3.17Å
254	N	23.4	Very low	22.2	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	79%	0.786	S	S	*	*			trans	72	82.2	160.3	-58.9	-12	0	0	0	117.9	P256	N254-P256 WeakPolarHBondContact O-CD 3.39Å
255	M	19.6	Very low	22.4	Very low	186 Å²	186	135 Å²	135	92%	0.916	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-50.8	121.3	148.2	-83.5	-81.4	-135.1	0	0	110.4
256	P	24.6	Very low	23.1	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-80.8	127.5	157.4	15	1.2	0	0	0	108.7	N254	N254-P256 WeakPolarHBondContact O-CD 3.39Å
257	S	20.6	Very low	24.1	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-47.3	129.3	171.6	44.2	0	0	0	0	113.9
258	T	22.2	Very low	25.2	Very low	132 Å²	132	130.1 Å²	130.1	81%	0.81	73%	0.729	S	S	*	*			trans	48	78.5	143.7	56.1	0	0	0	0	116.8	E260	T258-E260 PolarHBondContact O-N 3.07Å
259	T	22.1	Very low	26.8	Very low	141 Å²	141	130 Å²	130	87%	0.865	72%	0.724	S	S	*	*			trans	-79.1	110.6	153.7	34.3	0	0	0	0	109.4
260	E	20.9	Very low	28.6	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.864	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-46.5	132.7	167.7	-63.4	176.8	152.1	0	0	110.6	T258	T258-E260 PolarHBondContact O-N 3.07Å
261	L	21.2	Very low	30.7	Very low	167 Å²	167	119 Å²	119	87%	0.874	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-59.4	127.9	177.9	-89.4	99.4	0	0	0	109.7	N263	L261-N263 PolarHBondContact O-N 3.38Å
262	P	22.7	Very low	33.1	Very low	116 Å²	116	116.7 Å²	116.7	75%	0.753	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-67.7	130.7	-175.5	26.6	-32.8	0	0	0	110.7	N264	P262-N264 PolarHBondContact O-N 3.22Å; P262-N264 VanDerWaalsContact O-N 3.16Å
263	N	22.9	Very low	35.6	Very low	148 Å²	148	112.5 Å²	112.5	79%	0.791	62%	0.621	S	S	*	*			trans	-44.4	117.7	173	-87	-31.5	0	0	0	111.2	L261 N265	L261-N263 PolarHBondContact O-N 3.38Å; N263-N265 PolarHBondContact O-N 2.96Å
264	N	24.8	Very low	38.3	Very low	106 Å²	106	110.5 Å²	110.5	57%	0.567	60%	0.601	S	S	*	*			trans	-75.9	64.8	-175.3	-153.1	9.1	0	0	0	110.8	P262	P262-N264 PolarHBondContact O-N 3.22Å; P262-N264 VanDerWaalsContact O-N 3.16Å
265	N	24.6	Very low	41.2	Very low	132 Å²	132	103.6 Å²	103.6	71%	0.706	56%	0.564	S	S	*	*			trans	-104.8	93.4	176.9	-80.3	-11	0	0	0	109.1	N263	N263-N265 PolarHBondContact O-N 2.96Å
266	N	33.3	Very low	44.4	Very low	99 Å²	99	98.2 Å²	98.2	53%	0.529	54%	0.535	S	S	.	.			trans	-158.4	43.4	165.2	-87.8	-48.6	0	0	0	113.7	T225	T225-N266 HydrophobicContact CG2-CB 3.82Å; T225-N266 WeakPolarHBondContact CG2-ND2 3.15Å; T225-N266 WeakPolarHBondContact OG1-CB 3.14Å; T225-N266 VanDerWaalsContact OG1-CG 3.26Å; T225-N266 PolarHBondContact OG1-ND2 3.27Å
267	L	42.8	Very low	47.4	Very low	37 Å²	37	97.7 Å²	97.7	19%	0.194	52%	0.523	C	S	.	.	S	Bend	trans	-91.7	-9.8	164.8	-149.1	84.3	0	0	0	114	V286 N287 L290 Y394	L267-V286 HydrophobicContact CD2-CG1 3.67Å; L267-N287 WeakPolarHBondContact CD2-OD1 3.24Å; L267-L290 HydrophobicContact CD1-CD1 3.43Å; L267-L290 VanDerWaalsContact CD1-CD1 3.43Å; L267-L290 HydrophobicContact CD2-CD1 3.74Å; L267-L290 HydrophobicContact CG-CD1 4.2Å; L267-Y394 PolarHBondContact O-OH 3.19Å
268	N	46.4	Very low	50.7	Low	82 Å²	82	95.8 Å²	95.8	44%	0.439	51%	0.508	S	S	.	.			trans	-118.5	81.7	-163.7	-63.7	-18.4	0	0	0	111.2	Y270	N268-Y270 WeakPolarHBondContact CB-O 3.5Å; N268-Y270 PolarHBondContact O-N 3.18Å
269	Q	55.7	Low	53.9	Low	128 Å²	128	89.6 Å²	89.6	60%	0.598	47%	0.47	S	S	*	.	S	Bend	trans	-60.9	-28.9	159	-173.3	174.4	-5.5	0	0	110.1	Y394	Q269-Y394 HydrophobicContact CB-CD2 4.15Å; Q269-Y394 HydrophobicContact CB-CE2 3.83Å
270	Y	58.1	Low	57.2	Low	30 Å²	30	85.5 Å²	85.5	12%	0.118	44%	0.441	C	S	.	.	S	Bend	trans	-125.9	137	173.3	-61.9	-85.5	0	0	0	110	N268 Y272 F275 S390 I391 Y394	N268-Y270 WeakPolarHBondContact CB-O 3.5Å; N268-Y270 PolarHBondContact O-N 3.18Å; Y270-Y272 PolarHBondContact O-N 3.28Å; Y270-F275 HydrophobicContact CG-CZ 4.24Å; Y270-S390 PolarHBondContact OH-OG 3.15Å; Y270-I391 HydrophobicContact CE1-CD1 4.32Å; Y270-I391 HydrophobicContact CE1-CG1 4.02Å; Y270-I391 HydrophobicContact CE2-CG1 4.36Å; Y270-Y394 AromaticContact CD2-CD1 3.5Å; Y270-Y394 HydrophobicContact CD2-CD1 3.5Å; Y270-Y394 HydrophobicContact CD2-CD2 4.27Å; Y270-Y394 AromaticContact CD2-CE1 3.68Å; Y270-Y394 HydrophobicContact CD2-CE1 3.68Å; Y270-Y394 HydrophobicContact CD2-CE2 4.44Å; Y270-Y394 AromaticContact CD2-CG 3.8Å; Y270-Y394 HydrophobicContact CD2-CG 3.8Å; Y270-Y394 HydrophobicContact CE2-CD1 4.07Å; Y270-Y394 AromaticContact CE2-CG 4Å; Y270-Y394 HydrophobicContact CE2-CG 4Å; Y270-Y394 HydrophobicContact CG-CD1 4.46Å; Y270-Y394 HydrophobicContact CG-CE1 4.38Å
271	D	70.7	Confident	60.6	Low	73 Å²	73	78.4 Å²	78.4	39%	0.39	41%	0.411	S	S	.	.			trans	-67.7	120.9	167.5	-179.6	2.7	0	0	0	108.4	T273 Q274	D271-T273 PolarHBondContact O-N 3.41Å; D271-T273 WeakPolarHBondContact OD1-CG2 3.28Å; D271-T273 PolarHBondContact OD1-N 3.27Å; D271-T273 VanDerWaalsContact OD1-N 3.13Å; D271-T273 PolarHBondContact OD1-OG1 3.03Å; D271-T273 PolarHBondContact OD2-OG1 3.36Å; D271-Q274 HydrophobicContact CB-CG 4.27Å; D271-Q274 VanDerWaalsContact O-CB 3.25Å; D271-Q274 WeakPolarHBondContact O-CB 3.41Å; D271-Q274 VanDerWaalsContact O-CG 3.29Å; D271-Q274 WeakPolarHBondContact O-CG 3.44Å; D271-Q274 PolarHBondContact O-N 3.5Å
272	Y	73.8	Confident	64.1	Low	70 Å²	70	70.4 Å²	70.4	28%	0.275	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-61.9	-18.6	-176	69	-91.4	0	0	0	113	Y270 Q274 F275 Q280 F283 K284	Y270-Y272 PolarHBondContact O-N 3.28Å; Y272-Q274 PolarHBondContact O-N 3.43Å; Y272-F275 PolarHBondContact O-N 3.14Å; Y272-Q280 HydrophobicContact CD2-CG 4.1Å; Y272-F283 VanDerWaalsContact CB-CB 3.47Å; Y272-F283 HydrophobicContact CG-CB 4.24Å; Y272-K284 HydrophobicContact CE2-CB 4.37Å
273	T	74.8	Confident	67.4	Low	63 Å²	63	65 Å²	65	39%	0.387	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-64.7	-15.4	173.1	70.7	0	0	0	0	113.6	D271 F275 N329	D271-T273 PolarHBondContact O-N 3.41Å; D271-T273 WeakPolarHBondContact OD1-CG2 3.28Å; D271-T273 PolarHBondContact OD1-N 3.27Å; D271-T273 VanDerWaalsContact OD1-N 3.13Å; D271-T273 PolarHBondContact OD1-OG1 3.03Å; D271-T273 PolarHBondContact OD2-OG1 3.36Å; T273-F275 VanDerWaalsContact C-N 3.31Å; T273-N329 PolarHBondContact O-ND2 2.92Å
274	Q	79	Confident	70.7	Confident	58 Å²	58	63.4 Å²	63.4	27%	0.271	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-75	-21.8	175.6	-62.1	173.8	-1.2	0	0	112.5	D271 Y272 I328 N329	D271-Q274 HydrophobicContact CB-CG 4.27Å; D271-Q274 VanDerWaalsContact O-CB 3.25Å; D271-Q274 WeakPolarHBondContact O-CB 3.41Å; D271-Q274 VanDerWaalsContact O-CG 3.29Å; D271-Q274 WeakPolarHBondContact O-CG 3.44Å; D271-Q274 PolarHBondContact O-N 3.5Å; Y272-Q274 PolarHBondContact O-N 3.43Å; Q274-I328 WeakPolarHBondContact O-CA 3.3Å; Q274-N329 PolarHBondContact O-N 3.06Å; Q274-N329 PolarHBondContact O-ND2 2.89Å
275	F	84.5	Confident	74.1	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.009	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-85.3	153.1	-178.8	-59.5	-66.3	0	0	0	112.3	Y270 Y272 T273 L279 Q280 F283 L327 N329 I391	Y270-F275 HydrophobicContact CG-CZ 4.24Å; Y272-F275 PolarHBondContact O-N 3.14Å; T273-F275 VanDerWaalsContact C-N 3.31Å; F275-L279 HydrophobicContact CB-CB 4.28Å; F275-L279 HydrophobicContact CB-CD2 4.02Å; F275-L279 HydrophobicContact CB-CG 4.07Å; F275-L279 HydrophobicContact CD1-CD2 3.55Å; F275-L279 HydrophobicContact CD1-CG 4.38Å; F275-L279 HydrophobicContact CE1-CD2 4.16Å; F275-L279 HydrophobicContact CG-CD2 3.78Å; F275-L279 HydrophobicContact CG-CG 4.11Å; F275-Q280 HydrophobicContact CB-CB 4.49Å; F275-F283 AromaticContact CD2-CD2 3.56Å; F275-F283 HydrophobicContact CD2-CD2 3.56Å; F275-F283 AromaticContact CD2-CE2 3.48Å; F275-F283 HydrophobicContact CD2-CE2 3.48Å; F275-F283 VanDerWaalsContact CD2-CE2 3.48Å; F275-F283 HydrophobicContact CD2-CG 4.5Å; F275-F283 HydrophobicContact CD2-CZ 4.38Å; F275-F283 AromaticContact CE2-CD2 3.87Å; F275-F283 HydrophobicContact CE2-CD2 3.87Å; F275-F283 AromaticContact CE2-CE2 3.42Å; F275-F283 HydrophobicContact CE2-CE2 3.42Å; F275-F283 VanDerWaalsContact CE2-CE2 3.42Å; F275-F283 AromaticContact CE2-CZ 3.88Å; F275-F283 HydrophobicContact CE2-CZ 3.88Å; F275-F283 HydrophobicContact CG-CD2 4.33Å; F275-F283 HydrophobicContact CG-CE2 4.16Å; F275-F283 HydrophobicContact CZ-CE2 4.04Å; F275-F283 HydrophobicContact CZ-CZ 4.33Å; F275-L327 CarbonylContact C-O 3.54Å; F275-L327 WeakPolarHBondContact CA-O 3.33Å; F275-N329 PolarHBondContact O-ND2 3.13Å; F275-I391 HydrophobicContact CE1-CG2 3.94Å
276	K	86.4	Confident	77.4	Confident	73 Å²	73	53.1 Å²	53.1	32%	0.317	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-83.1	160.1	170.2	-75	171.3	175.1	159.9	0	111	L279 Q280 K325 N326 L327 I328 N329	K276-L279 WeakPolarHBondContact O-CB 3.42Å; K276-L279 PolarHBondContact O-N 3.49Å; K276-Q280 PolarHBondContact O-N 3.25Å; K276-K325 PolarHBondContact NZ-O 2.92Å; K276-N326 WeakPolarHBondContact CD-O 3.46Å; K276-L327 PolarHBondContact N-O 2.99Å; K276-I328 WeakPolarHBondContact CE-O 3.5Å; K276-I328 PolarHBondContact NZ-O 3.18Å; K276-I328 VanDerWaalsContact NZ-O 3.13Å; K276-N329 WeakPolarHBondContact CG-OD1 3.26Å
277	E	88	Confident	80.2	Confident	108 Å²	108	50.4 Å²	50.4	51%	0.505	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	143.4	168.9	-69.3	-65	-177	0	0	111.1	S281	E277-S281 PolarHBondContact OE1-OG 3.44Å; E277-S281 WeakPolarHBondContact OE2-CB 3.47Å; E277-S281 PolarHBondContact OE2-N 3.48Å; E277-S281 PolarHBondContact OE2-OG 3.32Å
278	P	89.7	Confident	82.7	Confident	61 Å²	61	50.9 Å²	50.9	40%	0.396	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.5	0.7	7.3	33.4	-33.4	0	0	0	115.4	S281 A282 L311 I315	P278-S281 PolarHBondContact O-N 2.81Å; P278-A282 PolarHBondContact O-N 3.35Å; P278-A282 VanDerWaalsContact O-N 3.1Å; P278-L311 HydrophobicContact CB-CD2 4.33Å; P278-I315 HydrophobicContact CB-CD1 4.44Å; P278-I315 HydrophobicContact CG-CD1 3.98Å; P278-I315 HydrophobicContact CG-CG1 3.7Å
279	L	90	Very high	85.1	Confident	3 Å²	3	47 Å²	47	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-38.7	-174.7	-177.4	62.6	0	0	0	112.2	F275 K276 S281 A282 F283 F312 I315 L327 I395	F275-L279 HydrophobicContact CB-CB 4.28Å; F275-L279 HydrophobicContact CB-CD2 4.02Å; F275-L279 HydrophobicContact CB-CG 4.07Å; F275-L279 HydrophobicContact CD1-CD2 3.55Å; F275-L279 HydrophobicContact CD1-CG 4.38Å; F275-L279 HydrophobicContact CE1-CD2 4.16Å; F275-L279 HydrophobicContact CG-CD2 3.78Å; F275-L279 HydrophobicContact CG-CG 4.11Å; K276-L279 WeakPolarHBondContact O-CB 3.42Å; K276-L279 PolarHBondContact O-N 3.49Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.45Å; L279-A282 WeakPolarHBondContact O-CB 3.17Å; L279-A282 PolarHBondContact O-N 2.94Å; L279-A282 VanDerWaalsContact O-N 3.08Å; L279-F283 HydrophobicContact CD1-CD2 3.93Å; L279-F283 HydrophobicContact CD1-CE2 3.54Å; L279-F283 HydrophobicContact CD1-CZ 4.46Å; L279-F283 HydrophobicContact CD2-CE2 4.07Å; L279-F283 HydrophobicContact CG-CD2 3.86Å; L279-F283 HydrophobicContact CG-CE2 3.61Å; L279-F283 VanDerWaalsContact O-CD2 3.3Å; L279-F283 WeakPolarHBondContact O-CD2 3.43Å; L279-F283 PolarHBondContact O-N 3.32Å; L279-F312 HydrophobicContact CD1-CD1 4.19Å; L279-F312 HydrophobicContact CD1-CE1 3.69Å; L279-I315 HydrophobicContact CB-CD1 3.94Å; L279-I315 HydrophobicContact CD1-CD1 3.91Å; L279-L327 HydrophobicContact CD2-CB 4.17Å; L279-L327 HydrophobicContact CD2-CD2 4.2Å; L279-I395 HydrophobicContact CD1-CD1 4.44Å; L279-I395 HydrophobicContact CD1-CG1 4.43Å; L279-I395 HydrophobicContact CD1-CG2 4.23Å; L279-I395 HydrophobicContact CD2-CD1 3.61Å; L279-I395 HydrophobicContact CD2-CG1 4.26Å
280	Q	90.8	Very high	86.9	Confident	55 Å²	55	41.7 Å²	41.7	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-54.8	-47.9	172.7	-173.8	177	18	0	0	111.8	Y272 F275 K276 A282 F283 K284	Y272-Q280 HydrophobicContact CD2-CG 4.1Å; F275-Q280 HydrophobicContact CB-CB 4.49Å; K276-Q280 PolarHBondContact O-N 3.25Å; Q280-A282 VanDerWaalsContact C-N 3.34Å; Q280-A282 PolarHBondContact O-N 2.81Å; Q280-F283 PolarHBondContact O-N 3.34Å; Q280-K284 WeakPolarHBondContact O-CB 3.42Å; Q280-K284 PolarHBondContact O-N 3.21Å
281	S	92.7	Very high	88.6	Confident	35 Å²	35	43.6 Å²	43.6	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-38.1	174.5	-80.4	0	0	0	0	112.6	E277 P278 L279 K284 N285	E277-S281 PolarHBondContact OE1-OG 3.44Å; E277-S281 WeakPolarHBondContact OE2-CB 3.47Å; E277-S281 PolarHBondContact OE2-N 3.48Å; E277-S281 PolarHBondContact OE2-OG 3.32Å; P278-S281 PolarHBondContact O-N 2.81Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.45Å; S281-K284 PolarHBondContact O-N 2.89Å; S281-N285 PolarHBondContact O-N 3.21Å; S281-N285 PolarHBondContact O-ND2 2.66Å
282	A	94	Very high	89.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-52.8	176.9	0	0	0	0	0	111.1	P278 L279 Q280 K284 N285 V286 L311 F312 I315	P278-A282 PolarHBondContact O-N 3.35Å; P278-A282 VanDerWaalsContact O-N 3.1Å; L279-A282 WeakPolarHBondContact O-CB 3.17Å; L279-A282 PolarHBondContact O-N 2.94Å; L279-A282 VanDerWaalsContact O-N 3.08Å; Q280-A282 VanDerWaalsContact C-N 3.34Å; Q280-A282 PolarHBondContact O-N 2.81Å; A282-K284 PolarHBondContact O-N 3.21Å; A282-N285 PolarHBondContact O-N 3.41Å; A282-N285 VanDerWaalsContact O-N 3.14Å; A282-V286 WeakPolarHBondContact O-CG2 3.45Å; A282-V286 PolarHBondContact O-N 3.39Å; A282-L311 HydrophobicContact CB-CB 3.76Å; A282-L311 HydrophobicContact CB-CD1 4.33Å; A282-F312 HydrophobicContact CB-CD1 4.18Å; A282-F312 HydrophobicContact CB-CD2 4.12Å; A282-F312 HydrophobicContact CB-CE1 3.97Å; A282-F312 HydrophobicContact CB-CE2 3.91Å; A282-F312 HydrophobicContact CB-CG 4.23Å; A282-F312 HydrophobicContact CB-CZ 3.84Å; A282-I315 HydrophobicContact CB-CD1 4.24Å
283	F	92.9	Very high	90.9	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-40	176.8	-79.7	-71.7	0	0	0	113.3	Y272 F275 L279 Q280 N285 V286 N287 F312 Y394 I395 V398	Y272-F283 VanDerWaalsContact CB-CB 3.47Å; Y272-F283 HydrophobicContact CG-CB 4.24Å; F275-F283 AromaticContact CD2-CD2 3.56Å; F275-F283 HydrophobicContact CD2-CD2 3.56Å; F275-F283 AromaticContact CD2-CE2 3.48Å; F275-F283 HydrophobicContact CD2-CE2 3.48Å; F275-F283 VanDerWaalsContact CD2-CE2 3.48Å; F275-F283 HydrophobicContact CD2-CG 4.5Å; F275-F283 HydrophobicContact CD2-CZ 4.38Å; F275-F283 AromaticContact CE2-CD2 3.87Å; F275-F283 HydrophobicContact CE2-CD2 3.87Å; F275-F283 AromaticContact CE2-CE2 3.42Å; F275-F283 HydrophobicContact CE2-CE2 3.42Å; F275-F283 VanDerWaalsContact CE2-CE2 3.42Å; F275-F283 AromaticContact CE2-CZ 3.88Å; F275-F283 HydrophobicContact CE2-CZ 3.88Å; F275-F283 HydrophobicContact CG-CD2 4.33Å; F275-F283 HydrophobicContact CG-CE2 4.16Å; F275-F283 HydrophobicContact CZ-CE2 4.04Å; F275-F283 HydrophobicContact CZ-CZ 4.33Å; L279-F283 HydrophobicContact CD1-CD2 3.93Å; L279-F283 HydrophobicContact CD1-CE2 3.54Å; L279-F283 HydrophobicContact CD1-CZ 4.46Å; L279-F283 HydrophobicContact CD2-CE2 4.07Å; L279-F283 HydrophobicContact CG-CD2 3.86Å; L279-F283 HydrophobicContact CG-CE2 3.61Å; L279-F283 VanDerWaalsContact O-CD2 3.3Å; L279-F283 WeakPolarHBondContact O-CD2 3.43Å; L279-F283 PolarHBondContact O-N 3.32Å; Q280-F283 PolarHBondContact O-N 3.34Å; F283-N285 VanDerWaalsContact C-N 3.3Å; F283-N285 PolarHBondContact O-N 3.16Å; F283-V286 WeakPolarHBondContact O-CB 3.43Å; F283-V286 PolarHBondContact O-N 2.93Å; F283-N287 PolarHBondContact O-N 3.15Å; F283-F312 HydrophobicContact CD1-CZ 4.39Å; F283-F312 HydrophobicContact CE1-CZ 4.38Å; F283-F312 HydrophobicContact CZ-CE1 4.5Å; F283-Y394 HydrophobicContact CE1-CD1 4.3Å; F283-Y394 AromaticContact CE1-CE1 3.51Å; F283-Y394 HydrophobicContact CE1-CE1 3.51Å; F283-Y394 HydrophobicContact CZ-CD1 4.01Å; F283-Y394 AromaticContact CZ-CE1 3.57Å; F283-Y394 HydrophobicContact CZ-CE1 3.57Å; F283-I395 HydrophobicContact CE2-CG1 4.27Å; F283-I395 HydrophobicContact CZ-CG1 4Å; F283-V398 HydrophobicContact CD1-CG1 4.04Å; F283-V398 HydrophobicContact CE1-CB 4.03Å; F283-V398 HydrophobicContact CE1-CG1 3.75Å; F283-V398 HydrophobicContact CE1-CG2 4.01Å
284	K	92.2	Very high	91.7	Very high	114 Å²	114	41.8 Å²	41.8	50%	0.496	21%	0.212	S	C	.	.	H	α-helix	trans	-58.1	-43.7	174.4	-177.6	-178.1	178	-179.2	0	111.6	Y272 Q280 S281 A282 N287 L288	Y272-K284 HydrophobicContact CE2-CB 4.37Å; Q280-K284 WeakPolarHBondContact O-CB 3.42Å; Q280-K284 PolarHBondContact O-N 3.21Å; S281-K284 PolarHBondContact O-N 2.89Å; A282-K284 PolarHBondContact O-N 3.21Å; K284-N287 PolarHBondContact O-N 3.01Å; K284-L288 HydrophobicContact CG-CD1 4.33Å; K284-L288 WeakPolarHBondContact O-CG 3.38Å; K284-L288 PolarHBondContact O-N 3.34Å
285	N	95.6	Very high	92.3	Very high	22 Å²	22	46 Å²	46	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-34.9	177.8	-75	-80	0	0	0	112.1	S281 A282 F283 L288 A289 Y304 K307 A308	S281-N285 PolarHBondContact O-N 3.21Å; S281-N285 PolarHBondContact O-ND2 2.66Å; A282-N285 PolarHBondContact O-N 3.41Å; A282-N285 VanDerWaalsContact O-N 3.14Å; F283-N285 VanDerWaalsContact C-N 3.3Å; F283-N285 PolarHBondContact O-N 3.16Å; N285-L288 PolarHBondContact O-N 3.35Å; N285-A289 WeakPolarHBondContact O-CB 3.36Å; N285-A289 PolarHBondContact O-N 3.34Å; N285-Y304 HydrophobicContact CB-CD1 4.47Å; N285-Y304 VanDerWaalsContact OD1-CD1 3.23Å; N285-Y304 WeakPolarHBondContact OD1-CD1 3.42Å; N285-K307 HydrophobicContact CB-CB 4.45Å; N285-A308 HydrophobicContact CB-CB 3.79Å
286	V	95	Very high	92.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-51.3	172.1	179.1	0	0	0	0	110.8	L267 A282 F283 L288 A289 L290 A308 F312 V398 I402	L267-V286 HydrophobicContact CD2-CG1 3.67Å; A282-V286 WeakPolarHBondContact O-CG2 3.45Å; A282-V286 PolarHBondContact O-N 3.39Å; F283-V286 WeakPolarHBondContact O-CB 3.43Å; F283-V286 PolarHBondContact O-N 2.93Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 2.97Å; V286-A289 WeakPolarHBondContact O-CB 3.38Å; V286-A289 PolarHBondContact O-N 3.29Å; V286-A289 VanDerWaalsContact O-N 3.14Å; V286-L290 HydrophobicContact CG1-CD1 3.98Å; V286-L290 HydrophobicContact CG1-CG 4.41Å; V286-L290 WeakPolarHBondContact O-CG 3.32Å; V286-L290 PolarHBondContact O-N 2.9Å; V286-A308 HydrophobicContact CG2-CB 3.86Å; V286-F312 HydrophobicContact CG2-CE2 3.58Å; V286-F312 HydrophobicContact CG2-CZ 4.2Å; V286-V398 HydrophobicContact CG1-CG1 4.21Å; V286-V398 HydrophobicContact CG2-CG1 4.04Å; V286-I402 HydrophobicContact CG1-CB 4.45Å; V286-I402 HydrophobicContact CG1-CD1 4.35Å; V286-I402 HydrophobicContact CG2-CB 4.06Å; V286-I402 HydrophobicContact CG2-CG1 4.08Å; V286-I402 HydrophobicContact CG2-CG2 4.14Å
287	N	92.2	Very high	93.2	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.219	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-41.4	179.8	-78.4	-33.1	0	0	0	111.9	L267 F283 K284 N291	L267-N287 WeakPolarHBondContact CD2-OD1 3.24Å; F283-N287 PolarHBondContact O-N 3.15Å; K284-N287 PolarHBondContact O-N 3.01Å; N287-N291 WeakPolarHBondContact O-CB 3.49Å; N287-N291 PolarHBondContact O-N 3.49Å
288	L	95	Very high	93.6	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-45.7	174.9	-70.1	171.7	0	0	0	111.8	K284 N285 V286 L290 N291 Y292 Y304	K284-L288 HydrophobicContact CG-CD1 4.33Å; K284-L288 WeakPolarHBondContact O-CG 3.38Å; K284-L288 PolarHBondContact O-N 3.34Å; N285-L288 PolarHBondContact O-N 3.35Å; V286-L288 VanDerWaalsContact C-N 3.29Å; V286-L288 PolarHBondContact O-N 2.97Å; L288-L290 VanDerWaalsContact C-N 3.35Å; L288-L290 PolarHBondContact O-N 3.48Å; L288-N291 PolarHBondContact O-N 3.07Å; L288-Y292 WeakPolarHBondContact O-CD2 3.33Å; L288-Y292 PolarHBondContact O-N 2.95Å; L288-Y304 HydrophobicContact CB-CD1 3.83Å; L288-Y304 HydrophobicContact CB-CD2 4.21Å; L288-Y304 HydrophobicContact CB-CE1 4.16Å; L288-Y304 HydrophobicContact CB-CG 3.86Å; L288-Y304 HydrophobicContact CD1-CD1 3.85Å; L288-Y304 HydrophobicContact CD1-CE1 3.43Å; L288-Y304 VanDerWaalsContact CD1-CE1 3.43Å; L288-Y304 HydrophobicContact CG-CE1 4.41Å
289	A	96.4	Very high	93.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-46.2	179.2	0	0	0	0	0	111.9	N285 V286 M293 S301 I402 L405	N285-A289 WeakPolarHBondContact O-CB 3.36Å; N285-A289 PolarHBondContact O-N 3.34Å; V286-A289 WeakPolarHBondContact O-CB 3.38Å; V286-A289 PolarHBondContact O-N 3.29Å; V286-A289 VanDerWaalsContact O-N 3.14Å; A289-M293 WeakPolarHBondContact O-CB 3.36Å; A289-M293 PolarHBondContact O-N 3.39Å; A289-S301 WeakPolarHBondContact O-CB 3.49Å; A289-S301 PolarHBondContact O-OG 2.73Å; A289-I402 HydrophobicContact CB-CD1 3.8Å; A289-L405 HydrophobicContact CB-CD2 4.49Å
290	L	94.2	Very high	94.3	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-38	178.9	-65.7	177.8	0	0	0	112.3	F222 L267 V286 L288 M293 T294 L405	F222-L290 HydrophobicContact CB-CD2 3.99Å; F222-L290 HydrophobicContact CD1-CD2 4.45Å; F222-L290 HydrophobicContact CG-CD2 4.48Å; L267-L290 HydrophobicContact CD1-CD1 3.43Å; L267-L290 VanDerWaalsContact CD1-CD1 3.43Å; L267-L290 HydrophobicContact CD2-CD1 3.74Å; L267-L290 HydrophobicContact CG-CD1 4.2Å; V286-L290 HydrophobicContact CG1-CD1 3.98Å; V286-L290 HydrophobicContact CG1-CG 4.41Å; V286-L290 WeakPolarHBondContact O-CG 3.32Å; V286-L290 PolarHBondContact O-N 2.9Å; L288-L290 VanDerWaalsContact C-N 3.35Å; L288-L290 PolarHBondContact O-N 3.48Å; L290-M293 HydrophobicContact CD2-CE 4.02Å; L290-M293 WeakPolarHBondContact O-CB 3.49Å; L290-M293 PolarHBondContact O-N 2.88Å; L290-T294 WeakPolarHBondContact O-CG2 3.31Å; L290-T294 PolarHBondContact O-N 3.09Å; L290-T294 PolarHBondContact O-OG1 3.23Å; L290-L405 HydrophobicContact CD2-CD2 3.94Å
291	N	93.2	Very high	94.6	Very high	70 Å²	70	44.6 Å²	44.6	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-43.8	175.8	-171.1	-38	0	0	0	112	N287 L288 T294 K295	N287-N291 WeakPolarHBondContact O-CB 3.49Å; N287-N291 PolarHBondContact O-N 3.49Å; L288-N291 PolarHBondContact O-N 3.07Å; N291-T294 PolarHBondContact O-N 3.42Å; N291-T294 PolarHBondContact O-OG1 2.92Å; N291-K295 WeakPolarHBondContact O-CG 3.41Å; N291-K295 PolarHBondContact O-N 3.46Å; N291-K295 VanDerWaalsContact O-N 3.12Å; N291-K295 WeakPolarHBondContact OD1-CD 3.32Å; N291-K295 WeakPolarHBondContact OD1-CE 3.03Å; N291-K295 PolarHBondContact OD1-NZ 3.35Å
292	Y	96.8	Very high	94.8	Very high	64 Å²	64	43.5 Å²	43.5	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-67.4	-36.1	175.2	-77.5	-62.9	0	0	0	112.3	L288 T294 K295 G296 D297 Q300 Y304	L288-Y292 WeakPolarHBondContact O-CD2 3.33Å; L288-Y292 PolarHBondContact O-N 2.95Å; Y292-T294 PolarHBondContact O-N 3.43Å; Y292-K295 PolarHBondContact O-N 3.11Å; Y292-G296 PolarHBondContact O-N 3.13Å; Y292-D297 HydrophobicContact CD1-CB 3.89Å; Y292-D297 PolarHBondContact O-N 3.47Å; Y292-Q300 HydrophobicContact CD1-CB 3.78Å; Y292-Q300 HydrophobicContact CD1-CG 4.35Å; Y292-Q300 HydrophobicContact CD2-CB 3.79Å; Y292-Q300 HydrophobicContact CE1-CB 4.09Å; Y292-Q300 HydrophobicContact CE1-CG 4.26Å; Y292-Q300 HydrophobicContact CE2-CB 4.12Å; Y292-Q300 HydrophobicContact CG-CB 3.61Å; Y292-Y304 AromaticContact CD2-CD2 3.65Å; Y292-Y304 HydrophobicContact CD2-CD2 3.65Å; Y292-Y304 AromaticContact CD2-CE2 3.89Å; Y292-Y304 HydrophobicContact CD2-CE2 3.89Å; Y292-Y304 AromaticContact CE2-CD2 3.67Å; Y292-Y304 HydrophobicContact CE2-CD2 3.67Å; Y292-Y304 AromaticContact CE2-CE2 3.37Å; Y292-Y304 HydrophobicContact CE2-CE2 3.37Å
293	M	95.1	Very high	95	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.069	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-46.7	174.4	-175.7	-167.3	63.5	0	0	111.6	L214 F222 A289 L290 K295 G296 Y298 S301 L405	L214-M293 HydrophobicContact CD1-CG 4.07Å; L214-M293 HydrophobicContact CD1-SD 4.2Å; F222-M293 HydrophobicContact CB-CE 3.68Å; F222-M293 HydrophobicContact CB-SD 4.23Å; F222-M293 HydrophobicContact CD2-CE 4.35Å; F222-M293 HydrophobicContact CD2-SD 3.86Å; F222-M293 HydrophobicContact CG-CE 4.26Å; F222-M293 HydrophobicContact CG-SD 4.15Å; A289-M293 WeakPolarHBondContact O-CB 3.36Å; A289-M293 PolarHBondContact O-N 3.39Å; L290-M293 HydrophobicContact CD2-CE 4.02Å; L290-M293 WeakPolarHBondContact O-CB 3.49Å; L290-M293 PolarHBondContact O-N 2.88Å; M293-K295 VanDerWaalsContact C-N 3.3Å; M293-K295 PolarHBondContact O-N 3.23Å; M293-G296 PolarHBondContact O-N 3.41Å; M293-G296 VanDerWaalsContact O-N 3.11Å; M293-Y298 HydrophobicContact CG-CE1 4.27Å; M293-S301 WeakPolarHBondContact CB-OG 3.25Å; M293-L405 HydrophobicContact SD-CD1 3.77Å; M293-L405 HydrophobicContact SD-CD2 4.28Å
294	T	91.7	Very high	95.3	Very high	89 Å²	89	48 Å²	48	55%	0.546	24%	0.242	S	C	.	.	H	α-helix	trans	-69	-29.7	-179.9	54.9	0	0	0	0	112.5	L290 N291 Y292 G296	L290-T294 WeakPolarHBondContact O-CG2 3.31Å; L290-T294 PolarHBondContact O-N 3.09Å; L290-T294 PolarHBondContact O-OG1 3.23Å; N291-T294 PolarHBondContact O-N 3.42Å; N291-T294 PolarHBondContact O-OG1 2.92Å; Y292-T294 PolarHBondContact O-N 3.43Å; T294-G296 VanDerWaalsContact C-N 3.27Å; T294-G296 PolarHBondContact O-N 3.04Å
295	K	92.9	Very high	95.5	Very high	146 Å²	146	42.6 Å²	42.6	64%	0.635	22%	0.218	S	C	*	.	H	α-helix	trans	-75.8	-10.7	171.4	-72.8	172.5	174.7	162.8	0	114.2	N291 Y292 M293 D297	N291-K295 WeakPolarHBondContact O-CG 3.41Å; N291-K295 PolarHBondContact O-N 3.46Å; N291-K295 VanDerWaalsContact O-N 3.12Å; N291-K295 WeakPolarHBondContact OD1-CD 3.32Å; N291-K295 WeakPolarHBondContact OD1-CE 3.03Å; N291-K295 PolarHBondContact OD1-NZ 3.35Å; Y292-K295 PolarHBondContact O-N 3.11Å; M293-K295 VanDerWaalsContact C-N 3.3Å; M293-K295 PolarHBondContact O-N 3.23Å; K295-D297 VanDerWaalsContact C-N 3.34Å
296	G	92.7	Very high	95.6	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	9.3	-177.1	0	0	0	0	0	114.9	Y292 M293 T294 Y298	Y292-G296 PolarHBondContact O-N 3.13Å; M293-G296 PolarHBondContact O-N 3.41Å; M293-G296 VanDerWaalsContact O-N 3.11Å; T294-G296 VanDerWaalsContact C-N 3.27Å; T294-G296 PolarHBondContact O-N 3.04Å; G296-Y298 VanDerWaalsContact C-N 3.32Å; G296-Y298 VanDerWaalsContact O-CD2 3.24Å; G296-Y298 WeakPolarHBondContact O-CD2 3.31Å; G296-Y298 WeakPolarHBondContact O-CE2 3.2Å; G296-Y298 PolarHBondContact O-N 3.44Å; G296-Y298 VanDerWaalsContact O-N 3.15Å
297	D	95.8	Very high	95.8	Very high	66 Å²	66	49.9 Å²	49.9	35%	0.353	25%	0.251	S	S	.	.			trans	-86.8	76.7	172	-170.3	-17.3	0	0	0	109.6	Y292 K295 Q299 Q300 S301	Y292-D297 HydrophobicContact CD1-CB 3.89Å; Y292-D297 PolarHBondContact O-N 3.47Å; K295-D297 VanDerWaalsContact C-N 3.34Å; D297-Q299 VanDerWaalsContact C-N 3.28Å; D297-Q299 PolarHBondContact O-N 2.99Å; D297-Q300 HydrophobicContact CB-CB 4.46Å; D297-Q300 PolarHBondContact O-N 2.86Å; D297-Q300 WeakPolarHBondContact OD1-CG 3.47Å; D297-Q300 PolarHBondContact OD1-N 3.4Å; D297-Q300 WeakPolarHBondContact OD2-CG 3.29Å; D297-S301 WeakPolarHBondContact O-CB 3.48Å; D297-S301 PolarHBondContact O-N 3.15Å
298	Y	96.7	Very high	96	Very high	17 Å²	17	48 Å²	48	7%	0.067	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-25	-172.6	-58.8	-63.3	0	0	0	113.5	A207 I210 R211 L214 M293 G296 A302 Y409	A207-Y298 HydrophobicContact CB-CD2 3.84Å; A207-Y298 HydrophobicContact CB-CE2 3.81Å; A207-Y298 VanDerWaalsContact O-CE2 3.32Å; A207-Y298 WeakPolarHBondContact O-CE2 3.44Å; I210-Y298 HydrophobicContact CB-CD1 4.31Å; I210-Y298 HydrophobicContact CB-CD2 3.74Å; I210-Y298 HydrophobicContact CB-CE1 4.36Å; I210-Y298 HydrophobicContact CB-CE2 3.77Å; I210-Y298 HydrophobicContact CB-CG 4.01Å; I210-Y298 HydrophobicContact CD1-CD2 3.8Å; I210-Y298 HydrophobicContact CD1-CG 3.73Å; I210-Y298 HydrophobicContact CG1-CD2 4.3Å; I210-Y298 HydrophobicContact CG1-CG 4.46Å; I210-Y298 HydrophobicContact CG2-CD1 3.53Å; I210-Y298 HydrophobicContact CG2-CD2 3.91Å; I210-Y298 HydrophobicContact CG2-CE1 3.62Å; I210-Y298 HydrophobicContact CG2-CE2 3.97Å; I210-Y298 HydrophobicContact CG2-CG 3.68Å; R211-Y298 WeakPolarHBondContact CA-OH 3.17Å; R211-Y298 WeakPolarHBondContact CB-OH 3.39Å; L214-Y298 HydrophobicContact CD1-CE1 3.99Å; M293-Y298 HydrophobicContact CG-CE1 4.27Å; G296-Y298 VanDerWaalsContact C-N 3.32Å; G296-Y298 VanDerWaalsContact O-CD2 3.24Å; G296-Y298 WeakPolarHBondContact O-CD2 3.31Å; G296-Y298 WeakPolarHBondContact O-CE2 3.2Å; G296-Y298 PolarHBondContact O-N 3.44Å; G296-Y298 VanDerWaalsContact O-N 3.15Å; Y298-A302 VanDerWaalsContact O-CB 3.31Å; Y298-A302 WeakPolarHBondContact O-CB 3.38Å; Y298-A302 PolarHBondContact O-N 2.88Å; Y298-Y409 HydrophobicContact CD1-CE1 4.19Å
299	Q	96	Very high	96.2	Very high	96 Å²	96	45.9 Å²	45.9	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-68.8	-50.2	176.4	-172.4	61.1	51.3	0	0	110.3	D297 S301 A302 D303	D297-Q299 VanDerWaalsContact C-N 3.28Å; D297-Q299 PolarHBondContact O-N 2.99Å; Q299-S301 VanDerWaalsContact C-N 3.3Å; Q299-S301 PolarHBondContact O-N 2.86Å; Q299-A302 PolarHBondContact O-N 3.42Å; Q299-D303 PolarHBondContact NE2-OD1 3.45Å; Q299-D303 VanDerWaalsContact O-CG 3.31Å; Q299-D303 PolarHBondContact O-N 3.17Å
300	Q	97.5	Very high	96.2	Very high	66 Å²	66	50.1 Å²	50.1	31%	0.308	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-42.1	174.3	-69.1	-60.8	-37.8	0	0	111.2	Y292 D297 A302 D303 Y304	Y292-Q300 HydrophobicContact CD1-CB 3.78Å; Y292-Q300 HydrophobicContact CD1-CG 4.35Å; Y292-Q300 HydrophobicContact CD2-CB 3.79Å; Y292-Q300 HydrophobicContact CE1-CB 4.09Å; Y292-Q300 HydrophobicContact CE1-CG 4.26Å; Y292-Q300 HydrophobicContact CE2-CB 4.12Å; Y292-Q300 HydrophobicContact CG-CB 3.61Å; D297-Q300 HydrophobicContact CB-CB 4.46Å; D297-Q300 PolarHBondContact O-N 2.86Å; D297-Q300 WeakPolarHBondContact OD1-CG 3.47Å; D297-Q300 PolarHBondContact OD1-N 3.4Å; D297-Q300 WeakPolarHBondContact OD2-CG 3.29Å; Q300-A302 VanDerWaalsContact C-N 3.31Å; Q300-A302 PolarHBondContact O-N 2.98Å; Q300-D303 PolarHBondContact O-N 3.18Å; Q300-Y304 HydrophobicContact CB-CD2 4.47Å; Q300-Y304 WeakPolarHBondContact O-CD2 3.46Å; Q300-Y304 PolarHBondContact O-N 3.34Å
301	S	97.8	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-44.4	176.4	-175.2	0	0	0	0	112.5	A289 M293 D297 Q299 S305 Y409	A289-S301 WeakPolarHBondContact O-CB 3.49Å; A289-S301 PolarHBondContact O-OG 2.73Å; M293-S301 WeakPolarHBondContact CB-OG 3.25Å; D297-S301 WeakPolarHBondContact O-CB 3.48Å; D297-S301 PolarHBondContact O-N 3.15Å; Q299-S301 VanDerWaalsContact C-N 3.3Å; Q299-S301 PolarHBondContact O-N 2.86Å; S301-S305 WeakPolarHBondContact O-CB 3.38Å; S301-S305 PolarHBondContact O-N 3.42Å; S301-S305 PolarHBondContact O-OG 2.8Å; S301-Y409 WeakPolarHBondContact CB-OH 3.36Å; S301-Y409 WeakPolarHBondContact OG-CE2 3.44Å; S301-Y409 PolarHBondContact OG-OH 3.34Å
302	A	97.5	Very high	96.4	Very high	12 Å²	12	48 Å²	48	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-45.5	177.2	0	0	0	0	0	112	L204 Y298 Q299 Q300 Y304 S305 M306 Y409	L204-A302 HydrophobicContact CD1-CB 3.85Å; Y298-A302 VanDerWaalsContact O-CB 3.31Å; Y298-A302 WeakPolarHBondContact O-CB 3.38Å; Y298-A302 PolarHBondContact O-N 2.88Å; Q299-A302 PolarHBondContact O-N 3.42Å; Q300-A302 VanDerWaalsContact C-N 3.31Å; Q300-A302 PolarHBondContact O-N 2.98Å; A302-Y304 PolarHBondContact O-N 2.93Å; A302-S305 WeakPolarHBondContact CA-OG 3.5Å; A302-S305 PolarHBondContact O-N 3.01Å; A302-S305 PolarHBondContact O-OG 2.67Å; A302-M306 PolarHBondContact O-N 3.16Å; A302-Y409 VanDerWaalsContact CA-CD2 3.49Å; A302-Y409 HydrophobicContact CB-CD1 4.32Å; A302-Y409 HydrophobicContact CB-CD2 3.62Å; A302-Y409 HydrophobicContact CB-CE2 4.08Å; A302-Y409 HydrophobicContact CB-CG 3.74Å
303	D	97.9	Very high	96.3	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-43.8	179.6	-66	-14.7	0	0	0	111.8	Q299 Q300 K307	Q299-D303 PolarHBondContact NE2-OD1 3.45Å; Q299-D303 VanDerWaalsContact O-CG 3.31Å; Q299-D303 PolarHBondContact O-N 3.17Å; Q300-D303 PolarHBondContact O-N 3.18Å; D303-K307 WeakPolarHBondContact O-CG 3.37Å; D303-K307 PolarHBondContact O-N 2.84Å; D303-K307 VanDerWaalsContact O-N 3.14Å
304	Y	98.4	Very high	96.1	Very high	47 Å²	47	56.5 Å²	56.5	18%	0.184	28%	0.275	C	S	.	.	H	α-helix	trans	-70.4	-35	176.7	-79.6	-70.3	0	0	0	112.7	N285 L288 Y292 Q300 A302 M306 K307 A308	N285-Y304 HydrophobicContact CB-CD1 4.47Å; N285-Y304 VanDerWaalsContact OD1-CD1 3.23Å; N285-Y304 WeakPolarHBondContact OD1-CD1 3.42Å; L288-Y304 HydrophobicContact CB-CD1 3.83Å; L288-Y304 HydrophobicContact CB-CD2 4.21Å; L288-Y304 HydrophobicContact CB-CE1 4.16Å; L288-Y304 HydrophobicContact CB-CG 3.86Å; L288-Y304 HydrophobicContact CD1-CD1 3.85Å; L288-Y304 HydrophobicContact CD1-CE1 3.43Å; L288-Y304 VanDerWaalsContact CD1-CE1 3.43Å; L288-Y304 HydrophobicContact CG-CE1 4.41Å; Y292-Y304 AromaticContact CD2-CD2 3.65Å; Y292-Y304 HydrophobicContact CD2-CD2 3.65Å; Y292-Y304 AromaticContact CD2-CE2 3.89Å; Y292-Y304 HydrophobicContact CD2-CE2 3.89Å; Y292-Y304 AromaticContact CE2-CD2 3.67Å; Y292-Y304 HydrophobicContact CE2-CD2 3.67Å; Y292-Y304 AromaticContact CE2-CE2 3.37Å; Y292-Y304 HydrophobicContact CE2-CE2 3.37Å; Q300-Y304 HydrophobicContact CB-CD2 4.47Å; Q300-Y304 WeakPolarHBondContact O-CD2 3.46Å; Q300-Y304 PolarHBondContact O-N 3.34Å; A302-Y304 PolarHBondContact O-N 2.93Å; Y304-M306 VanDerWaalsContact C-N 3.33Å; Y304-M306 PolarHBondContact O-N 3.2Å; Y304-K307 HydrophobicContact CD1-CD 4.3Å; Y304-K307 PolarHBondContact O-N 3.27Å; Y304-A308 WeakPolarHBondContact O-CB 3.44Å; Y304-A308 PolarHBondContact O-N 3.43Å
305	S	97.9	Very high	96.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-41.9	174.9	74.5	0	0	0	0	111.7	S301 A302 A308 V309 H406	S301-S305 WeakPolarHBondContact O-CB 3.38Å; S301-S305 PolarHBondContact O-N 3.42Å; S301-S305 PolarHBondContact O-OG 2.8Å; A302-S305 WeakPolarHBondContact CA-OG 3.5Å; A302-S305 PolarHBondContact O-N 3.01Å; A302-S305 PolarHBondContact O-OG 2.67Å; S305-A308 PolarHBondContact O-N 3.44Å; S305-V309 WeakPolarHBondContact O-CG2 3.42Å; S305-V309 PolarHBondContact O-N 3.14Å; S305-H406 PolarHBondContact OG-ND1 2.74Å
306	M	97.9	Very high	95.8	Very high	82 Å²	82	48.2 Å²	48.2	40%	0.404	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-46	176.5	-174.4	177.2	60.5	0	0	111.4	A302 Y304 A308 V309 N310	A302-M306 PolarHBondContact O-N 3.16Å; Y304-M306 VanDerWaalsContact C-N 3.33Å; Y304-M306 PolarHBondContact O-N 3.2Å; M306-A308 VanDerWaalsContact C-N 3.31Å; M306-A308 PolarHBondContact O-N 3.2Å; M306-V309 PolarHBondContact O-N 3.42Å; M306-N310 VanDerWaalsContact O-CG 3.26Å; M306-N310 PolarHBondContact O-N 2.91Å
307	K	98.1	Very high	95.5	Very high	94 Å²	94	51.5 Å²	51.5	41%	0.409	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-43.4	176.4	-72.2	170.6	-173.5	169.7	0	111.9	N285 D303 Y304 L311	N285-K307 HydrophobicContact CB-CB 4.45Å; D303-K307 WeakPolarHBondContact O-CG 3.37Å; D303-K307 PolarHBondContact O-N 2.84Å; D303-K307 VanDerWaalsContact O-N 3.14Å; Y304-K307 HydrophobicContact CD1-CD 4.3Å; Y304-K307 PolarHBondContact O-N 3.27Å; K307-L311 VanDerWaalsContact O-CG 3.31Å; K307-L311 WeakPolarHBondContact O-CG 3.41Å; K307-L311 PolarHBondContact O-N 3.16Å
308	A	97.3	Very high	94.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-48.7	177.3	0	0	0	0	0	111.7	N285 V286 Y304 S305 M306 N310 L311 F312 I402	N285-A308 HydrophobicContact CB-CB 3.79Å; V286-A308 HydrophobicContact CG2-CB 3.86Å; Y304-A308 WeakPolarHBondContact O-CB 3.44Å; Y304-A308 PolarHBondContact O-N 3.43Å; S305-A308 PolarHBondContact O-N 3.44Å; M306-A308 VanDerWaalsContact C-N 3.31Å; M306-A308 PolarHBondContact O-N 3.2Å; A308-N310 PolarHBondContact O-N 3.23Å; A308-L311 PolarHBondContact O-N 2.86Å; A308-F312 WeakPolarHBondContact O-CD2 3.49Å; A308-F312 PolarHBondContact O-N 3.2Å; A308-I402 HydrophobicContact CB-CG1 3.81Å; A308-I402 HydrophobicContact CB-CG2 4.37Å
309	V	97.6	Very high	93.7	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-50.4	178.1	166.9	0	0	0	0	111.2	S305 M306 L311 F312 E313 I402 H406 R422	S305-V309 WeakPolarHBondContact O-CG2 3.42Å; S305-V309 PolarHBondContact O-N 3.14Å; M306-V309 PolarHBondContact O-N 3.42Å; V309-L311 VanDerWaalsContact C-N 3.28Å; V309-L311 PolarHBondContact O-N 3.48Å; V309-F312 PolarHBondContact O-N 2.97Å; V309-F312 VanDerWaalsContact O-N 3.16Å; V309-E313 HydrophobicContact CG1-CG 4.3Å; V309-E313 WeakPolarHBondContact CG1-OE1 3.38Å; V309-E313 WeakPolarHBondContact O-CG 3.46Å; V309-E313 PolarHBondContact O-N 3.45Å; V309-I402 HydrophobicContact CG2-CG2 4.1Å; V309-H406 HydrophobicContact CG2-CB 3.9Å; V309-R422 VanDerWaalsContact CG1-NH2 3.28Å
310	N	97.4	Very high	92.4	Very high	90 Å²	90	58.8 Å²	58.8	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-37.6	-179.3	-68.1	-10.7	0	0	0	112.5	M306 A308 R314	M306-N310 VanDerWaalsContact O-CG 3.26Å; M306-N310 PolarHBondContact O-N 2.91Å; A308-N310 PolarHBondContact O-N 3.23Å; N310-R314 PolarHBondContact O-N 2.8Å
311	L	96	Very high	91.2	Very high	43 Å²	43	56.5 Å²	56.5	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-46	176	-72.6	169.9	0	0	0	111.4	P278 A282 K307 A308 V309 R314 I315	P278-L311 HydrophobicContact CB-CD2 4.33Å; A282-L311 HydrophobicContact CB-CB 3.76Å; A282-L311 HydrophobicContact CB-CD1 4.33Å; K307-L311 VanDerWaalsContact O-CG 3.31Å; K307-L311 WeakPolarHBondContact O-CG 3.41Å; K307-L311 PolarHBondContact O-N 3.16Å; A308-L311 PolarHBondContact O-N 2.86Å; V309-L311 VanDerWaalsContact C-N 3.28Å; V309-L311 PolarHBondContact O-N 3.48Å; L311-R314 PolarHBondContact O-N 2.81Å; L311-I315 VanDerWaalsContact O-CD1 3.31Å; L311-I315 WeakPolarHBondContact O-CD1 3.23Å; L311-I315 VanDerWaalsContact O-CG1 3.22Å; L311-I315 WeakPolarHBondContact O-CG1 3.48Å; L311-I315 PolarHBondContact O-N 3.3Å
312	F	95.1	Very high	90	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-42.8	177.7	-80.6	-63.6	0	0	0	112.6	L279 A282 F283 V286 A308 V309 R314 I315 L316 I395 V398 Y399 I402	L279-F312 HydrophobicContact CD1-CD1 4.19Å; L279-F312 HydrophobicContact CD1-CE1 3.69Å; A282-F312 HydrophobicContact CB-CD1 4.18Å; A282-F312 HydrophobicContact CB-CD2 4.12Å; A282-F312 HydrophobicContact CB-CE1 3.97Å; A282-F312 HydrophobicContact CB-CE2 3.91Å; A282-F312 HydrophobicContact CB-CG 4.23Å; A282-F312 HydrophobicContact CB-CZ 3.84Å; F283-F312 HydrophobicContact CD1-CZ 4.39Å; F283-F312 HydrophobicContact CE1-CZ 4.38Å; F283-F312 HydrophobicContact CZ-CE1 4.5Å; V286-F312 HydrophobicContact CG2-CE2 3.58Å; V286-F312 HydrophobicContact CG2-CZ 4.2Å; A308-F312 WeakPolarHBondContact O-CD2 3.49Å; A308-F312 PolarHBondContact O-N 3.2Å; V309-F312 PolarHBondContact O-N 2.97Å; V309-F312 VanDerWaalsContact O-N 3.16Å; F312-R314 VanDerWaalsContact C-N 3.3Å; F312-R314 PolarHBondContact O-N 3.33Å; F312-I315 PolarHBondContact O-N 3.22Å; F312-I315 VanDerWaalsContact O-N 3.12Å; F312-L316 WeakPolarHBondContact O-CB 3.37Å; F312-L316 VanDerWaalsContact O-CG 3.28Å; F312-L316 WeakPolarHBondContact O-CG 3.49Å; F312-L316 PolarHBondContact O-N 3.1Å; F312-I395 HydrophobicContact CD1-CG2 4.14Å; F312-I395 HydrophobicContact CE1-CG2 4Å; F312-V398 HydrophobicContact CE2-CG1 4.33Å; F312-V398 HydrophobicContact CZ-CG1 3.98Å; F312-Y399 HydrophobicContact CB-CD2 3.3Å; F312-Y399 HydrophobicContact CB-CE2 3.94Å; F312-Y399 HydrophobicContact CB-CG 4.05Å; F312-Y399 HydrophobicContact CD2-CD2 4.2Å; F312-Y399 AromaticContact CG-CD2 3.91Å; F312-Y399 HydrophobicContact CG-CD2 3.91Å; F312-Y399 HydrophobicContact CG-CG 4.38Å; F312-I402 HydrophobicContact CD2-CG2 4.05Å; F312-I402 HydrophobicContact CE2-CG2 4.1Å
313	E	94.5	Very high	88.8	Confident	69 Å²	69	64.7 Å²	64.7	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-42.6	178.1	-74.5	177.8	172.6	0	0	111.5	V309 I315 L316 S317 Y399 R422	V309-E313 HydrophobicContact CG1-CG 4.3Å; V309-E313 WeakPolarHBondContact CG1-OE1 3.38Å; V309-E313 WeakPolarHBondContact O-CG 3.46Å; V309-E313 PolarHBondContact O-N 3.45Å; E313-I315 VanDerWaalsContact C-N 3.33Å; E313-I315 PolarHBondContact O-N 3.48Å; E313-L316 PolarHBondContact O-N 3.12Å; E313-S317 VanDerWaalsContact O-CB 3.24Å; E313-S317 WeakPolarHBondContact O-CB 3.39Å; E313-S317 PolarHBondContact O-N 3.34Å; E313-S317 PolarHBondContact O-OG 3.06Å; E313-Y399 HydrophobicContact CG-CE2 3.82Å; E313-Y399 WeakPolarHBondContact CG-OH 3.5Å; E313-Y399 PolarHBondContact OE1-OH 3.45Å; E313-R422 IonicContact OE1-CZ 2.73Å; E313-R422 IonicContact OE1-NH1 2.67Å; E313-R422 PolarHBondContact OE1-NH1 3.01Å; E313-R422 IonicContact OE1-NH2 2.74Å; E313-R422 PolarHBondContact OE1-NH2 3.34Å
314	R	92.1	Very high	87.2	Confident	188 Å²	188	62.3 Å²	62.3	71%	0.709	32%	0.315	S	S	*	.	H	α-helix	trans	-60.8	-43.6	174.5	-171.5	177.5	179.4	-178.9	0.2	111.6	N310 L311 F312 S317 D318	N310-R314 PolarHBondContact O-N 2.8Å; L311-R314 PolarHBondContact O-N 2.81Å; F312-R314 VanDerWaalsContact C-N 3.3Å; F312-R314 PolarHBondContact O-N 3.33Å; R314-S317 PolarHBondContact O-OG 2.89Å; R314-D318 PolarHBondContact O-N 3.2Å
315	I	90.1	Very high	85.7	Confident	13 Å²	13	68.4 Å²	68.4	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-66.9	-47	179.4	-66.7	159.2	0	0	0	111.6	P278 L279 A282 L311 F312 E313 S317 D318 F321	P278-I315 HydrophobicContact CB-CD1 4.44Å; P278-I315 HydrophobicContact CG-CD1 3.98Å; P278-I315 HydrophobicContact CG-CG1 3.7Å; L279-I315 HydrophobicContact CB-CD1 3.94Å; L279-I315 HydrophobicContact CD1-CD1 3.91Å; A282-I315 HydrophobicContact CB-CD1 4.24Å; L311-I315 VanDerWaalsContact O-CD1 3.31Å; L311-I315 WeakPolarHBondContact O-CD1 3.23Å; L311-I315 VanDerWaalsContact O-CG1 3.22Å; L311-I315 WeakPolarHBondContact O-CG1 3.48Å; L311-I315 PolarHBondContact O-N 3.3Å; F312-I315 PolarHBondContact O-N 3.22Å; F312-I315 VanDerWaalsContact O-N 3.12Å; E313-I315 VanDerWaalsContact C-N 3.33Å; E313-I315 PolarHBondContact O-N 3.48Å; I315-S317 VanDerWaalsContact C-N 3.28Å; I315-S317 PolarHBondContact O-N 3.26Å; I315-D318 WeakPolarHBondContact O-CB 3.45Å; I315-D318 PolarHBondContact O-N 3Å; I315-D318 VanDerWaalsContact O-N 3.15Å; I315-F321 HydrophobicContact CG2-CD2 3.8Å; I315-F321 HydrophobicContact CG2-CE2 4.19Å
316	L	87.5	Confident	84.4	Confident	47 Å²	47	72.5 Å²	72.5	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-71.3	-24.3	-177.1	-68.1	172.6	0	0	0	112.4	F312 E313 D318 F321 I395 K396 Y399	F312-L316 WeakPolarHBondContact O-CB 3.37Å; F312-L316 VanDerWaalsContact O-CG 3.28Å; F312-L316 WeakPolarHBondContact O-CG 3.49Å; F312-L316 PolarHBondContact O-N 3.1Å; E313-L316 PolarHBondContact O-N 3.12Å; L316-D318 VanDerWaalsContact C-N 3.31Å; L316-F321 HydrophobicContact CD2-CD1 4.17Å; L316-F321 HydrophobicContact CD2-CD2 4.35Å; L316-F321 HydrophobicContact CD2-CE1 3.77Å; L316-F321 HydrophobicContact CD2-CE2 3.97Å; L316-F321 HydrophobicContact CD2-CG 4.44Å; L316-F321 HydrophobicContact CD2-CZ 3.66Å; L316-I395 HydrophobicContact CD2-CG2 4.36Å; L316-K396 HydrophobicContact CD2-CG 4.36Å; L316-Y399 HydrophobicContact CD1-CD1 3.5Å; L316-Y399 VanDerWaalsContact CD1-CD1 3.5Å; L316-Y399 HydrophobicContact CD1-CD2 4.14Å; L316-Y399 HydrophobicContact CD1-CE1 3.81Å; L316-Y399 HydrophobicContact CD1-CE2 4.39Å; L316-Y399 HydrophobicContact CD1-CG 3.64Å
317	S	86.7	Confident	83.2	Confident	97 Å²	97	69.3 Å²	69.3	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.9	172.4	73.1	0	0	0	0	113.7	E313 R314 I315	E313-S317 VanDerWaalsContact O-CB 3.24Å; E313-S317 WeakPolarHBondContact O-CB 3.39Å; E313-S317 PolarHBondContact O-N 3.34Å; E313-S317 PolarHBondContact O-OG 3.06Å; R314-S317 PolarHBondContact O-OG 2.89Å; I315-S317 VanDerWaalsContact C-N 3.28Å; I315-S317 PolarHBondContact O-N 3.26Å
318	D	82.5	Confident	82.1	Confident	84 Å²	84	66.1 Å²	66.1	45%	0.449	34%	0.336	S	S	.	.	S	Bend	trans	-78.3	128.5	-179.7	-170.5	-6.8	0	0	0	110.7	R314 I315 L316 S320 F321	R314-D318 PolarHBondContact O-N 3.2Å; I315-D318 WeakPolarHBondContact O-CB 3.45Å; I315-D318 PolarHBondContact O-N 3Å; I315-D318 VanDerWaalsContact O-N 3.15Å; L316-D318 VanDerWaalsContact C-N 3.31Å; D318-S320 PolarHBondContact O-N 3.38Å; D318-S320 VanDerWaalsContact O-N 3.1Å; D318-S320 PolarHBondContact OD1-N 2.95Å; D318-S320 PolarHBondContact OD1-OG 3.35Å; D318-S320 PolarHBondContact OD2-OG 2.86Å; D318-F321 WeakPolarHBondContact O-CB 3.16Å; D318-F321 PolarHBondContact O-N 3.19Å; D318-F321 VanDerWaalsContact O-N 3.09Å
319	K	72.6	Confident	80.9	Confident	201 Å²	201	68.6 Å²	68.6	87%	0.874	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-58	-24.6	175.1	-64	-174.3	-179.8	-177.3	0	112.1	F321	K319-F321 PolarHBondContact O-N 2.97Å
320	S	68.9	Low	79.1	Confident	47 Å²	47	74.3 Å²	74.3	33%	0.329	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-68.4	-15.6	178.7	78.8	0	0	0	0	114.3	D318 S322 D323	D318-S320 PolarHBondContact O-N 3.38Å; D318-S320 VanDerWaalsContact O-N 3.1Å; D318-S320 PolarHBondContact OD1-N 2.95Å; D318-S320 PolarHBondContact OD1-OG 3.35Å; D318-S320 PolarHBondContact OD2-OG 2.86Å; S320-S322 PolarHBondContact O-N 3.49Å; S320-S322 VanDerWaalsContact O-N 3.07Å; S320-D323 PolarHBondContact O-N 3.14Å
321	F	72.5	Confident	76.6	Confident	19 Å²	19	75.3 Å²	75.3	8%	0.083	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.7	-178	-174.8	-104.8	0	0	0	113.6	I315 L316 D318 K319 D323 L327 Q392 I395	I315-F321 HydrophobicContact CG2-CD2 3.8Å; I315-F321 HydrophobicContact CG2-CE2 4.19Å; L316-F321 HydrophobicContact CD2-CD1 4.17Å; L316-F321 HydrophobicContact CD2-CD2 4.35Å; L316-F321 HydrophobicContact CD2-CE1 3.77Å; L316-F321 HydrophobicContact CD2-CE2 3.97Å; L316-F321 HydrophobicContact CD2-CG 4.44Å; L316-F321 HydrophobicContact CD2-CZ 3.66Å; D318-F321 WeakPolarHBondContact O-CB 3.16Å; D318-F321 PolarHBondContact O-N 3.19Å; D318-F321 VanDerWaalsContact O-N 3.09Å; K319-F321 PolarHBondContact O-N 2.97Å; F321-D323 PolarHBondContact O-N 3.37Å; F321-L327 HydrophobicContact CD2-CD1 4Å; F321-L327 HydrophobicContact CD2-CD2 4.33Å; F321-L327 HydrophobicContact CE2-CD1 3.86Å; F321-Q392 HydrophobicContact CE1-CB 4.04Å; F321-Q392 HydrophobicContact CE1-CG 3.78Å; F321-Q392 HydrophobicContact CZ-CB 4.16Å; F321-Q392 HydrophobicContact CZ-CG 3.94Å; F321-Q392 PolarHBondContact O-NE2 2.97Å; F321-Q392 VanDerWaalsContact O-NE2 3.09Å; F321-I395 HydrophobicContact CE2-CB 4.42Å; F321-I395 HydrophobicContact CE2-CD1 3.8Å; F321-I395 HydrophobicContact CE2-CG2 3.91Å; F321-I395 HydrophobicContact CZ-CB 4.14Å; F321-I395 HydrophobicContact CZ-CD1 4.06Å; F321-I395 HydrophobicContact CZ-CG2 3.91Å
322	S	70.9	Confident	74.1	Confident	86 Å²	86	75 Å²	75	60%	0.601	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24	175.3	-165.3	0	0	0	0	113.2	S320 Q392	S320-S322 PolarHBondContact O-N 3.49Å; S320-S322 VanDerWaalsContact O-N 3.07Å; S322-Q392 PolarHBondContact O-NE2 3.03Å
323	D	72.2	Confident	71.4	Confident	97 Å²	97	83.8 Å²	83.8	52%	0.519	45%	0.446	S	S	.	.			trans	-105.2	94.4	-174.9	-72.5	-29.8	0	0	0	112.2	S320 F321 K325 N326	S320-D323 PolarHBondContact O-N 3.14Å; F321-D323 PolarHBondContact O-N 3.37Å; D323-K325 PolarHBondContact O-N 2.95Å; D323-K325 VanDerWaalsContact O-N 3.07Å; D323-N326 WeakPolarHBondContact CB-ND2 3.33Å; D323-N326 WeakPolarHBondContact O-CB 3.4Å; D323-N326 PolarHBondContact O-N 2.92Å
324	V	66.2	Low	68.7	Low	2 Å²	2	84.1 Å²	84.1	1%	0.012	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-58.8	-25.7	-177.6	173.3	0	0	0	0	114	N326 L327 I328 N388 I391 Q392	V324-N326 PolarHBondContact O-N 3.24Å; V324-N326 VanDerWaalsContact O-N 3.15Å; V324-L327 HydrophobicContact CG2-CD1 4.44Å; V324-L327 WeakPolarHBondContact O-CA 3.19Å; V324-L327 WeakPolarHBondContact O-CB 3.44Å; V324-L327 PolarHBondContact O-N 3.31Å; V324-I328 HydrophobicContact CG1-CD1 3.57Å; V324-I328 HydrophobicContact CG1-CG1 4.12Å; V324-I328 PolarHBondContact O-N 3.4Å; V324-N388 HydrophobicContact CB-CB 3.99Å; V324-N388 VanDerWaalsContact CB-OD1 3.3Å; V324-N388 WeakPolarHBondContact CB-OD1 3.32Å; V324-N388 WeakPolarHBondContact CG1-OD1 3.34Å; V324-N388 HydrophobicContact CG2-CB 3.58Å; V324-N388 WeakPolarHBondContact CG2-O 3.13Å; V324-I391 HydrophobicContact CG1-CB 4.36Å; V324-I391 HydrophobicContact CG1-CD1 3.93Å; V324-I391 HydrophobicContact CG1-CG2 4.26Å; V324-Q392 HydrophobicContact CG2-CG 4.02Å
325	K	65.4	Low	65.9	Low	174 Å²	174	81 Å²	81	76%	0.757	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-58	-27.3	173.1	-73.1	-177.2	179.6	176	0	113.2	K276 D323 L327	K276-K325 PolarHBondContact NZ-O 2.92Å; D323-K325 PolarHBondContact O-N 2.95Å; D323-K325 VanDerWaalsContact O-N 3.07Å; K325-L327 VanDerWaalsContact C-N 3.29Å
326	N	71	Confident	63.2	Low	87 Å²	87	87.1 Å²	87.1	47%	0.465	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-78.9	-16.1	176.6	-62.9	-26	0	0	0	112.3	K276 D323 V324	K276-N326 WeakPolarHBondContact CD-O 3.46Å; D323-N326 WeakPolarHBondContact CB-ND2 3.33Å; D323-N326 WeakPolarHBondContact O-CB 3.4Å; D323-N326 PolarHBondContact O-N 2.92Å; V324-N326 PolarHBondContact O-N 3.24Å; V324-N326 VanDerWaalsContact O-N 3.15Å
327	L	72	Confident	60.3	Low	15 Å²	15	94.4 Å²	94.4	8%	0.079	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-23.6	-177	-55.9	177.8	0	0	0	113.2	F275 K276 L279 F321 V324 K325 I395	F275-L327 CarbonylContact C-O 3.54Å; F275-L327 WeakPolarHBondContact CA-O 3.33Å; K276-L327 PolarHBondContact N-O 2.99Å; L279-L327 HydrophobicContact CD2-CB 4.17Å; L279-L327 HydrophobicContact CD2-CD2 4.2Å; F321-L327 HydrophobicContact CD2-CD1 4Å; F321-L327 HydrophobicContact CD2-CD2 4.33Å; F321-L327 HydrophobicContact CE2-CD1 3.86Å; V324-L327 HydrophobicContact CG2-CD1 4.44Å; V324-L327 WeakPolarHBondContact O-CA 3.19Å; V324-L327 WeakPolarHBondContact O-CB 3.44Å; V324-L327 PolarHBondContact O-N 3.31Å; K325-L327 VanDerWaalsContact C-N 3.29Å; L327-I395 HydrophobicContact CD1-CD1 3.92Å
328	I	76	Confident	57.5	Low	27 Å²	27	98.1 Å²	98.1	14%	0.138	52%	0.516	C	S	.	.	B	Isolated β-bridge	trans	-109.1	143.5	-171.7	-55	174.8	0	0	0	111.6	Q274 K276 V324 S330 S332 I391	Q274-I328 WeakPolarHBondContact O-CA 3.3Å; K276-I328 WeakPolarHBondContact CE-O 3.5Å; K276-I328 PolarHBondContact NZ-O 3.18Å; K276-I328 VanDerWaalsContact NZ-O 3.13Å; V324-I328 HydrophobicContact CG1-CD1 3.57Å; V324-I328 HydrophobicContact CG1-CG1 4.12Å; V324-I328 PolarHBondContact O-N 3.4Å; I328-S330 PolarHBondContact O-N 3.39Å; I328-S332 WeakPolarHBondContact CG2-OG 3.26Å; I328-I391 HydrophobicContact CD1-CD1 3.49Å; I328-I391 VanDerWaalsContact CD1-CD1 3.49Å
329	N	72.7	Confident	54.8	Low	51 Å²	51	97.1 Å²	97.1	27%	0.273	53%	0.525	S	S	.	.			trans	-67	125.4	171.3	-71.5	-35.7	0	0	0	110.3	T273 Q274 F275 K276 S331 S332	T273-N329 PolarHBondContact O-ND2 2.92Å; Q274-N329 PolarHBondContact O-N 3.06Å; Q274-N329 PolarHBondContact O-ND2 2.89Å; F275-N329 PolarHBondContact O-ND2 3.13Å; K276-N329 WeakPolarHBondContact CG-OD1 3.26Å; N329-S331 PolarHBondContact O-N 3.19Å; N329-S332 PolarHBondContact O-N 3.24Å; N329-S332 VanDerWaalsContact O-N 3.11Å; N329-S332 PolarHBondContact O-OG 2.82Å; N329-S332 VanDerWaalsContact O-OG 3.08Å
330	S	58	Low	52.5	Low	124 Å²	124	96.5 Å²	96.5	87%	0.867	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-6.5	-170.7	43.7	0	0	0	0	115.8	I328	I328-S330 PolarHBondContact O-N 3.39Å
331	S	46.3	Very low	50.4	Low	111 Å²	111	100.6 Å²	100.6	78%	0.776	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	1.1	-179.7	49.5	0	0	0	0	114.8	N329 Q333	N329-S331 PolarHBondContact O-N 3.19Å; S331-Q333 PolarHBondContact O-N 3.44Å
332	S	42.6	Very low	48.1	Very low	37 Å²	37	107.1 Å²	107.1	26%	0.259	58%	0.583	S	S	.	*			trans	-89.1	94.8	171.9	55.8	0	0	0	0	109.9	I328 N329 L334	I328-S332 WeakPolarHBondContact CG2-OG 3.26Å; N329-S332 PolarHBondContact O-N 3.24Å; N329-S332 VanDerWaalsContact O-N 3.11Å; N329-S332 PolarHBondContact O-OG 2.82Å; N329-S332 VanDerWaalsContact O-OG 3.08Å; S332-L334 PolarHBondContact O-N 2.92Å; S332-L334 VanDerWaalsContact O-N 3.14Å
333	Q	38.1	Very low	45.9	Very low	184 Å²	184	108.6 Å²	108.6	86%	0.86	59%	0.593	S	S	*	*			trans	-60.8	113.8	155.9	-77.2	-177.5	-25.7	0	0	105.9	S331 D335	S331-Q333 PolarHBondContact O-N 3.44Å; Q333-D335 PolarHBondContact O-N 3.48Å
334	L	39.2	Very low	43.7	Very low	75 Å²	75	112.9 Å²	112.9	39%	0.393	61%	0.607	S	S	.	*			trans	-60.2	109.7	171	-72.1	151.9	0	0	0	106.3	S332 D336 T387	S332-L334 PolarHBondContact O-N 2.92Å; S332-L334 VanDerWaalsContact O-N 3.14Å; L334-D336 VanDerWaalsContact C-N 3.33Å; L334-D336 PolarHBondContact O-N 3.44Å; L334-T387 HydrophobicContact CD1-CG2 3.82Å
335	D	33	Very low	42	Very low	123 Å²	123	118.7 Å²	118.7	66%	0.658	65%	0.645	S	S	*	*			trans	-61.5	97.5	172.9	-95.8	-18.2	0	0	0	107.7	Q333 R337	Q333-D335 PolarHBondContact O-N 3.48Å; D335-R337 HydrophobicContact CB-CG 4.49Å; D335-R337 PolarHBondContact O-N 3.3Å
336	D	32.5	Very low	39.9	Very low	141 Å²	141	117.8 Å²	117.8	75%	0.754	65%	0.648	S	S	*	*			trans	-69.1	51.2	168.7	-80.5	-29.2	0	0	0	110.4	L334 N338	L334-D336 VanDerWaalsContact C-N 3.33Å; L334-D336 PolarHBondContact O-N 3.44Å; D336-N338 VanDerWaalsContact C-N 3.26Å; D336-N338 PolarHBondContact O-N 2.81Å
337	R	27.8	Very low	37.7	Very low	201 Å²	201	120.8 Å²	120.8	76%	0.758	66%	0.664	S	S	*	*			trans	-82.8	74.5	169	-69.3	-166.7	-157.3	-169.4	6.4	109.7	D335	D335-R337 HydrophobicContact CB-CG 4.49Å; D335-R337 PolarHBondContact O-N 3.3Å
338	N	27.1	Very low	35.5	Very low	175 Å²	175	127.1 Å²	127.1	94%	0.936	70%	0.698	S	S	*	*			trans	-144.1	43.4	159.7	-88.4	-27.8	0	0	0	110.4	D336	D336-N338 VanDerWaalsContact C-N 3.26Å; D336-N338 PolarHBondContact O-N 2.81Å
339	G	25	Very low	33.9	Very low	62 Å²	62	131.1 Å²	131.1	64%	0.639	73%	0.726	S	S	*	*			trans	-140.2	31.3	178.4	0	0	0	0	0	113	T341	G339-T341 PolarHBondContact O-N 3.02Å; G339-T341 VanDerWaalsContact O-N 3.16Å
340	E	24.9	Very low	31.5	Very low	188 Å²	188	133.3 Å²	133.3	88%	0.879	75%	0.751	S	S	*	*			trans	-80.6	97.3	166.8	-88.2	-177.7	170.7	0	0	108.9	I342	E340-I342 PolarHBondContact O-N 3.45Å; E340-I342 VanDerWaalsContact O-N 3.1Å
341	T	24.9	Very low	30	Very low	134 Å²	134	133.2 Å²	133.2	82%	0.822	75%	0.751	S	S	*	*			trans	-39.8	110.5	162.4	17.3	0	0	0	0	110.5	G339 S343	G339-T341 PolarHBondContact O-N 3.02Å; G339-T341 VanDerWaalsContact O-N 3.16Å; T341-S343 PolarHBondContact O-N 2.91Å
342	I	25.2	Very low	28.8	Very low	156 Å²	156	134.6 Å²	134.6	80%	0.8	75%	0.754	S	S	*	*			trans	-52.9	104	166.2	-64.2	168.1	0	0	0	107.4	E340 K344	E340-I342 PolarHBondContact O-N 3.45Å; E340-I342 VanDerWaalsContact O-N 3.1Å; I342-K344 PolarHBondContact O-N 2.97Å
343	S	23.8	Very low	27.8	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	78%	0.782	S	S	*	*			trans	-61	102.9	167.6	33.8	0	0	0	0	108.1	T341	T341-S343 PolarHBondContact O-N 2.91Å
344	K	26.8	Very low	27.2	Very low	188 Å²	188	138.4 Å²	138.4	82%	0.817	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-64	148.8	171.2	-81.9	-178.7	174.4	178.5	0	110.3	I342	I342-K344 PolarHBondContact O-N 2.97Å
345	P	29.2	Very low	26.4	Very low	124 Å²	124	142.8 Å²	142.8	81%	0.805	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-77.3	140.1	-171.3	15.9	-3	0	0	0	111.7	D347	P345-D347 PolarHBondContact O-N 3Å
346	N	22.7	Very low	26.2	Very low	154 Å²	154	145.9 Å²	145.9	82%	0.824	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.3	126.1	166.3	-84.6	-21.9	0	0	0	110.6
347	D	24.6	Very low	25.8	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	82%	0.819	S	S	*	*			trans	-168.2	108.1	141.9	-92	-30.4	0	0	0	110.6	P345	P345-D347 PolarHBondContact O-N 3Å
348	N	25.3	Very low	25.6	Very low	149 Å²	149	144.7 Å²	144.7	80%	0.797	82%	0.818	S	S	*	*			trans	56.8	165.4	145	-72.4	-23.8	0	0	0	121.5
349	P	42.1	Very low	25.4	Very low	111 Å²	111	144.5 Å²	144.5	72%	0.721	81%	0.811	S	S	*	*				-131.7	169.3	-53.9	37.5	-21.4	0	0	0	112.6
350	A	23.4	Very low	25.4	Very low	97 Å²	97	147.4 Å²	147.4	80%	0.802	81%	0.812	S	S	*	*			trans	26.6	111.8	145.6	0	0	0	0	0	120.5
351	S	25.1	Very low	25.4	Very low	122 Å²	122	146.1 Å²	146.1	85%	0.853	81%	0.806	S	S	*	*			trans	-163.1	96.1	136.5	57.6	0	0	0	0	109.4
352	V	22.1	Very low	25.3	Very low	139 Å²	139	145.6 Å²	145.6	84%	0.842	80%	0.798	S	S	*	*			trans	-92.6	122.5	164.2	173	0	0	0	0	105.7
353	E	21.7	Very low	25.2	Very low	182 Å²	182	146.7 Å²	146.7	85%	0.85	80%	0.8	S	S	*	*			trans	159.7	115.5	147	-92.3	169.4	-168.9	0	0	109.9
354	S	25.4	Very low	25.1	Very low	119 Å²	119	149.6 Å²	149.6	83%	0.832	81%	0.805	S	S	*	*				171.1	117.5	115.1	39.6	0	0	0	0	109.8
355	N	23.1	Very low	25.1	Very low	168 Å²	168	148.3 Å²	148.3	90%	0.898	81%	0.808	S	S	*	*			trans	-79.5	127.3	163.3	-79.8	-39.7	0	0	0	108.3
356	E	27.5	Very low	24.9	Very low	187 Å²	187	148.5 Å²	148.5	87%	0.874	80%	0.802	S	S	*	*			trans	-136.6	96.7	155.6	-73.2	-171	159.2	0	0	106.8
357	H	24.6	Very low	25	Very low	179 Å²	179	149 Å²	149	83%	0.829	80%	0.797	S	S	*	*				61.5	95.1	95.9	-108.1	35.8	0	0	0	115.2
358	N	23	Very low	25	Very low	139 Å²	139	151.3 Å²	151.3	74%	0.743	80%	0.803	S	S	*	*			trans	3.1	132.4	135.3	-73.4	-19.7	0	0	0	116.5
359	Q	23.5	Very low	25	Very low	171 Å²	171	149.4 Å²	149.4	80%	0.799	80%	0.801	S	S	*	*				-179.8	146.8	107	-99.9	173.7	5.9	0	0	113.7
360	N	25.7	Very low	24.1	Very low	123 Å²	123	151.9 Å²	151.9	66%	0.658	81%	0.808	S	S	*	*			trans	87.3	104.4	154.8	-57.5	-12.6	0	0	0	117.2
361	E	23	Very low	24.2	Very low	161 Å²	161	152.7 Å²	152.7	75%	0.752	81%	0.808	S	S	*	*				64.9	130.6	75.6	-71.3	-169.8	179.5	0	0	111
362	N	23.2	Very low	24.1	Very low	122 Å²	122	154.3 Å²	154.3	65%	0.652	81%	0.805	S	S	*	*			cis	-171	165.3	9.5	-113.8	-26.8	0	0	0	107.9
363	E	23.5	Very low	24.2	Very low	180 Å²	180	153.7 Å²	153.7	84%	0.841	80%	0.802	S	S	*	*			trans	74.9	92.4	154.4	-72	171.1	176.2	0	0	119.1
364	L	22.4	Very low	24.5	Very low	176 Å²	176	151 Å²	151	92%	0.921	80%	0.798	S	S	*	*			trans	-135.2	137.3	149	-98	163.2	0	0	0	109.6
365	D	26.1	Very low	24.6	Very low	161 Å²	161	151.5 Å²	151.5	86%	0.861	79%	0.792	S	S	*	*			trans	-58.8	143.6	-162.1	-70.9	-54.3	0	0	0	116.8
366	D	25	Very low	24.9	Very low	129 Å²	129	148.1 Å²	148.1	69%	0.69	78%	0.781	S	S	*	*			trans	-65.6	125.4	174.7	-97.3	-48.7	0	0	0	112.6
367	K	24.3	Very low	25.2	Very low	165 Å²	165	144.7 Å²	144.7	72%	0.717	77%	0.769	S	S	*	*				62.6	118.8	127.5	-65.6	171.9	-175.2	139.7	0	119.6
368	E	25.2	Very low	25.5	Very low	198 Å²	198	141.8 Å²	141.8	93%	0.925	76%	0.76	S	S	*	*				-155.3	123.3	96	-108.8	175.1	179.5	0	0	111.4
369	S	24.4	Very low	25.8	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	75%	0.752	S	S	*	*			trans	-90.8	119.1	-167.2	46.1	0	0	0	0	112.2
370	N	24	Very low	26.5	Very low	163 Å²	163	136.2 Å²	136.2	87%	0.872	74%	0.739	S	S	*	*			trans	-86.4	117.8	160.2	-91.2	-25.5	0	0	0	109.4	I372	N370-I372 PolarHBondContact O-N 3.08Å
371	S	24.9	Very low	26.8	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	73%	0.729	S	S	*	*			trans	-67.8	112.4	179.3	47.1	0	0	0	0	111.6
372	I	24.5	Very low	27.1	Very low	156 Å²	156	131.2 Å²	131.2	80%	0.8	72%	0.719	S	S	*	*			trans	-90.1	100.7	167.7	-62.4	172.8	0	0	0	107.2	N370 T374	N370-I372 PolarHBondContact O-N 3.08Å; I372-T374 PolarHBondContact O-N 3.3Å
373	T	24.3	Very low	27.9	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	71%	0.712	S	S	*	*			trans	-71.2	113.4	171.6	-41.7	0	0	0	0	109	N375	T373-N375 PolarHBondContact O-N 3.21Å
374	T	26.1	Very low	29.1	Very low	126 Å²	126	127 Å²	127	77%	0.773	70%	0.697	S	S	*	*			trans	-68.8	115.3	179.9	46.4	0	0	0	0	111.6	I372 S376	I372-T374 PolarHBondContact O-N 3.3Å; T374-S376 PolarHBondContact O-N 3.48Å
375	N	27.5	Very low	30.5	Very low	129 Å²	129	122.5 Å²	122.5	69%	0.69	67%	0.674	S	S	*	*			trans	-72.2	101.6	175.6	-93.3	-23.5	0	0	0	111.7	T373 N377	T373-N375 PolarHBondContact O-N 3.21Å; N375-N377 PolarHBondContact O-N 2.93Å
376	S	30.9	Very low	31.9	Very low	97 Å²	97	121 Å²	121	68%	0.678	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	8.3	170.1	-172.8	0	0	0	0	114.2	T374	T374-S376 PolarHBondContact O-N 3.48Å
377	N	32.8	Very low	34	Very low	115 Å²	115	116.6 Å²	116.6	62%	0.615	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-6.6	-171.3	-70.9	-12.3	0	0	0	115.3	N375 T381	N375-N377 PolarHBondContact O-N 2.93Å; N377-T381 PolarHBondContact O-OG1 2.95Å; N377-T381 VanDerWaalsContact O-OG1 3.07Å
378	N	30.3	Very low	36.3	Very low	119 Å²	119	111.1 Å²	111.1	64%	0.636	62%	0.616	S	S	*	*	H	α-helix	trans	-84.5	-29.8	-173.1	-79.3	-7.5	0	0	0	114.4	L382	N378-L382 PolarHBondContact O-N 3.44Å
379	T	30.3	Very low	38.8	Very low	94 Å²	94	107.7 Å²	107.7	58%	0.577	60%	0.6	S	S	*	*	H	α-helix	trans	-70.2	-41.5	-178.8	41	0	0	0	0	112.7	T381 L382 N383	T379-T381 VanDerWaalsContact C-N 3.29Å; T379-T381 PolarHBondContact O-N 3.37Å; T379-L382 PolarHBondContact O-N 3.38Å; T379-N383 PolarHBondContact O-N 3.49Å; T379-N383 VanDerWaalsContact O-N 3.14Å
380	D	37.3	Very low	41.5	Very low	99 Å²	99	104.7 Å²	104.7	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-35.2	176.9	-90.5	7.2	0	0	0	112.9	K384	D380-K384 WeakPolarHBondContact O-CB 3.45Å; D380-K384 WeakPolarHBondContact O-CD 3.41Å; D380-K384 VanDerWaalsContact O-CG 3.27Å; D380-K384 WeakPolarHBondContact O-CG 3.29Å; D380-K384 PolarHBondContact O-N 3.15Å; D380-K384 VanDerWaalsContact O-N 3.15Å
381	T	32.6	Very low	44.3	Very low	74 Å²	74	97 Å²	97	45%	0.454	54%	0.538	S	S	.	.	H	α-helix	trans	-72.1	-40.8	179.8	-49.8	0	0	0	0	110.8	N377 T379 K384 N385	N377-T381 PolarHBondContact O-OG1 2.95Å; N377-T381 VanDerWaalsContact O-OG1 3.07Å; T379-T381 VanDerWaalsContact C-N 3.29Å; T379-T381 PolarHBondContact O-N 3.37Å; T381-K384 PolarHBondContact O-N 3.38Å; T381-N385 VanDerWaalsContact O-CG 3.26Å; T381-N385 PolarHBondContact O-N 2.92Å
382	L	29.5	Very low	47.1	Very low	105 Å²	105	93.5 Å²	93.5	55%	0.55	51%	0.509	S	S	.	.	H	α-helix	trans	-66.2	-41.7	179.1	-169.6	69.3	0	0	0	112.3	N378 T379 N385 K386	N378-L382 PolarHBondContact O-N 3.44Å; T379-L382 PolarHBondContact O-N 3.38Å; L382-N385 PolarHBondContact O-N 3.38Å; L382-K386 PolarHBondContact O-N 3.42Å
383	N	40.2	Very low	50	Low	94 Å²	94	90.3 Å²	90.3	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-66.6	-44.8	175.8	-85.3	-2.3	0	0	0	111.7	T379 N385 K386 T387	T379-N383 PolarHBondContact O-N 3.49Å; T379-N383 VanDerWaalsContact O-N 3.14Å; N383-N385 VanDerWaalsContact C-N 3.3Å; N383-N385 PolarHBondContact O-N 3.18Å; N383-K386 PolarHBondContact O-N 3.13Å; N383-T387 PolarHBondContact O-N 2.95Å; N383-T387 VanDerWaalsContact O-N 3.07Å; N383-T387 PolarHBondContact O-OG1 3.36Å
384	K	48.1	Very low	53	Low	120 Å²	120	85 Å²	85	52%	0.522	46%	0.462	S	S	.	.	H	α-helix	trans	-58.1	-40.5	175.9	-78.2	169.6	-177.5	155.5	0	112.7	D380 T381 T387 N388	D380-K384 WeakPolarHBondContact O-CB 3.45Å; D380-K384 WeakPolarHBondContact O-CD 3.41Å; D380-K384 VanDerWaalsContact O-CG 3.27Å; D380-K384 WeakPolarHBondContact O-CG 3.29Å; D380-K384 PolarHBondContact O-N 3.15Å; D380-K384 VanDerWaalsContact O-N 3.15Å; T381-K384 PolarHBondContact O-N 3.38Å; K384-T387 PolarHBondContact O-N 2.86Å; K384-N388 PolarHBondContact O-N 2.78Å; K384-N388 PolarHBondContact O-OD1 2.93Å
385	N	53.2	Low	56	Low	80 Å²	80	79 Å²	79	43%	0.428	43%	0.426	S	S	.	.	H	α-helix	trans	-66.1	-43.6	178.8	-72.5	-7.2	0	0	0	112.1	T381 L382 N383 T387 N388 E389	T381-N385 VanDerWaalsContact O-CG 3.26Å; T381-N385 PolarHBondContact O-N 2.92Å; L382-N385 PolarHBondContact O-N 3.38Å; N383-N385 VanDerWaalsContact C-N 3.3Å; N383-N385 PolarHBondContact O-N 3.18Å; N385-T387 VanDerWaalsContact C-N 3.3Å; N385-T387 PolarHBondContact O-N 3.43Å; N385-N388 PolarHBondContact O-N 3.48Å; N385-E389 PolarHBondContact O-N 3.13Å
386	K	54.2	Low	59	Low	129 Å²	129	77.1 Å²	77.1	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-59.2	-41.3	174.9	-73.8	-179.6	178	-179.7	0	112.1	L382 N383 S390	L382-K386 PolarHBondContact O-N 3.42Å; N383-K386 PolarHBondContact O-N 3.13Å; K386-S390 PolarHBondContact O-N 3.08Å; K386-S390 VanDerWaalsContact O-N 3.09Å
387	T	68.9	Low	61.9	Low	37 Å²	37	75.7 Å²	75.7	23%	0.227	39%	0.394	C	S	.	.	H	α-helix	trans	-66.6	-41	177.4	-46.3	0	0	0	0	111.7	L334 N383 K384 N385 S390 I391	L334-T387 HydrophobicContact CD1-CG2 3.82Å; N383-T387 PolarHBondContact O-N 2.95Å; N383-T387 VanDerWaalsContact O-N 3.07Å; N383-T387 PolarHBondContact O-OG1 3.36Å; K384-T387 PolarHBondContact O-N 2.86Å; N385-T387 VanDerWaalsContact C-N 3.3Å; N385-T387 PolarHBondContact O-N 3.43Å; T387-S390 PolarHBondContact O-N 3.44Å; T387-S390 PolarHBondContact O-OG 2.89Å; T387-I391 HydrophobicContact CG2-CD1 4.29Å; T387-I391 WeakPolarHBondContact O-CG1 3.2Å; T387-I391 PolarHBondContact O-N 3.33Å; T387-I391 VanDerWaalsContact O-N 3.14Å
388	N	73.1	Confident	64.7	Low	50 Å²	50	70.5 Å²	70.5	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-47.5	177.9	-72.1	-8.9	0	0	0	112.3	V324 K384 N385 S390 I391 Q392	V324-N388 HydrophobicContact CB-CB 3.99Å; V324-N388 VanDerWaalsContact CB-OD1 3.3Å; V324-N388 WeakPolarHBondContact CB-OD1 3.32Å; V324-N388 WeakPolarHBondContact CG1-OD1 3.34Å; V324-N388 HydrophobicContact CG2-CB 3.58Å; V324-N388 WeakPolarHBondContact CG2-O 3.13Å; K384-N388 PolarHBondContact O-N 2.78Å; K384-N388 PolarHBondContact O-OD1 2.93Å; N385-N388 PolarHBondContact O-N 3.48Å; N388-S390 VanDerWaalsContact C-N 3.32Å; N388-S390 PolarHBondContact O-N 3.14Å; N388-I391 PolarHBondContact O-N 3.49Å; N388-Q392 PolarHBondContact O-N 3.28Å; N388-Q392 VanDerWaalsContact O-N 3.13Å
389	E	77.3	Confident	67.8	Low	126 Å²	126	66.5 Å²	66.5	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-60.2	-42.7	176.9	-72.4	174.6	-173.7	0	0	111.3	N385 I391 Q392 V393	N385-E389 PolarHBondContact O-N 3.13Å; E389-I391 VanDerWaalsContact C-N 3.31Å; E389-I391 PolarHBondContact O-N 2.75Å; E389-Q392 PolarHBondContact O-N 3.12Å; E389-V393 VanDerWaalsContact O-CG2 3.3Å; E389-V393 WeakPolarHBondContact O-CG2 3.49Å; E389-V393 PolarHBondContact O-N 3.32Å
390	S	80.9	Confident	70.9	Confident	46 Å²	46	62.5 Å²	62.5	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-38.9	178.8	74.1	0	0	0	0	113.2	Y270 K386 T387 N388 V393 Y394	Y270-S390 PolarHBondContact OH-OG 3.15Å; K386-S390 PolarHBondContact O-N 3.08Å; K386-S390 VanDerWaalsContact O-N 3.09Å; T387-S390 PolarHBondContact O-N 3.44Å; T387-S390 PolarHBondContact O-OG 2.89Å; N388-S390 VanDerWaalsContact C-N 3.32Å; N388-S390 PolarHBondContact O-N 3.14Å; S390-V393 PolarHBondContact O-N 3.44Å; S390-Y394 WeakPolarHBondContact O-CB 3.44Å; S390-Y394 PolarHBondContact O-N 2.87Å
391	I	82.6	Confident	73.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-70.8	-42	179.1	-69	174.9	0	0	0	110.8	Y270 F275 V324 I328 T387 N388 E389 V393 Y394 I395	Y270-I391 HydrophobicContact CE1-CD1 4.32Å; Y270-I391 HydrophobicContact CE1-CG1 4.02Å; Y270-I391 HydrophobicContact CE2-CG1 4.36Å; F275-I391 HydrophobicContact CE1-CG2 3.94Å; V324-I391 HydrophobicContact CG1-CB 4.36Å; V324-I391 HydrophobicContact CG1-CD1 3.93Å; V324-I391 HydrophobicContact CG1-CG2 4.26Å; I328-I391 HydrophobicContact CD1-CD1 3.49Å; I328-I391 VanDerWaalsContact CD1-CD1 3.49Å; T387-I391 HydrophobicContact CG2-CD1 4.29Å; T387-I391 WeakPolarHBondContact O-CG1 3.2Å; T387-I391 PolarHBondContact O-N 3.33Å; T387-I391 VanDerWaalsContact O-N 3.14Å; N388-I391 PolarHBondContact O-N 3.49Å; E389-I391 VanDerWaalsContact C-N 3.31Å; E389-I391 PolarHBondContact O-N 2.75Å; I391-V393 VanDerWaalsContact C-N 3.34Å; I391-V393 PolarHBondContact O-N 3.48Å; I391-Y394 PolarHBondContact O-N 3.19Å; I391-I395 HydrophobicContact CG2-CD1 3.84Å; I391-I395 HydrophobicContact CG2-CG1 4.48Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.49Å; I391-I395 PolarHBondContact O-N 3.48Å
392	Q	84	Confident	76.8	Confident	41 Å²	41	55.3 Å²	55.3	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-40.2	176.5	-71.1	-179.5	2.6	0	0	112	F321 S322 V324 N388 E389 I395 K396	F321-Q392 HydrophobicContact CE1-CB 4.04Å; F321-Q392 HydrophobicContact CE1-CG 3.78Å; F321-Q392 HydrophobicContact CZ-CB 4.16Å; F321-Q392 HydrophobicContact CZ-CG 3.94Å; F321-Q392 PolarHBondContact O-NE2 2.97Å; F321-Q392 VanDerWaalsContact O-NE2 3.09Å; S322-Q392 PolarHBondContact O-NE2 3.03Å; V324-Q392 HydrophobicContact CG2-CG 4.02Å; N388-Q392 PolarHBondContact O-N 3.28Å; N388-Q392 VanDerWaalsContact O-N 3.13Å; E389-Q392 PolarHBondContact O-N 3.12Å; Q392-I395 PolarHBondContact O-N 3.41Å; Q392-K396 WeakPolarHBondContact O-CG 3.34Å; Q392-K396 PolarHBondContact O-N 2.99Å
393	V	86.3	Confident	80	Confident	88 Å²	88	50.3 Å²	50.3	53%	0.533	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-48.5	174.7	170.5	0	0	0	0	110.3	E389 S390 I391 I395 K396 E397	E389-V393 VanDerWaalsContact O-CG2 3.3Å; E389-V393 WeakPolarHBondContact O-CG2 3.49Å; E389-V393 PolarHBondContact O-N 3.32Å; S390-V393 PolarHBondContact O-N 3.44Å; I391-V393 VanDerWaalsContact C-N 3.34Å; I391-V393 PolarHBondContact O-N 3.48Å; V393-I395 PolarHBondContact O-N 3.47Å; V393-K396 PolarHBondContact O-N 3.18Å; V393-E397 WeakPolarHBondContact O-CB 3.22Å; V393-E397 PolarHBondContact O-N 3.32Å
394	Y	87	Confident	82.8	Confident	15 Å²	15	45.9 Å²	45.9	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-44.4	177.3	173.8	-105.6	0	0	0	112.7	L267 Q269 Y270 F283 S390 I391 K396 E397 V398	L267-Y394 PolarHBondContact O-OH 3.19Å; Q269-Y394 HydrophobicContact CB-CD2 4.15Å; Q269-Y394 HydrophobicContact CB-CE2 3.83Å; Y270-Y394 AromaticContact CD2-CD1 3.5Å; Y270-Y394 HydrophobicContact CD2-CD1 3.5Å; Y270-Y394 HydrophobicContact CD2-CD2 4.27Å; Y270-Y394 AromaticContact CD2-CE1 3.68Å; Y270-Y394 HydrophobicContact CD2-CE1 3.68Å; Y270-Y394 HydrophobicContact CD2-CE2 4.44Å; Y270-Y394 AromaticContact CD2-CG 3.8Å; Y270-Y394 HydrophobicContact CD2-CG 3.8Å; Y270-Y394 HydrophobicContact CE2-CD1 4.07Å; Y270-Y394 AromaticContact CE2-CG 4Å; Y270-Y394 HydrophobicContact CE2-CG 4Å; Y270-Y394 HydrophobicContact CG-CD1 4.46Å; Y270-Y394 HydrophobicContact CG-CE1 4.38Å; F283-Y394 HydrophobicContact CE1-CD1 4.3Å; F283-Y394 AromaticContact CE1-CE1 3.51Å; F283-Y394 HydrophobicContact CE1-CE1 3.51Å; F283-Y394 HydrophobicContact CZ-CD1 4.01Å; F283-Y394 AromaticContact CZ-CE1 3.57Å; F283-Y394 HydrophobicContact CZ-CE1 3.57Å; S390-Y394 WeakPolarHBondContact O-CB 3.44Å; S390-Y394 PolarHBondContact O-N 2.87Å; I391-Y394 PolarHBondContact O-N 3.19Å; Y394-K396 PolarHBondContact O-N 3.38Å; Y394-E397 PolarHBondContact O-N 2.91Å; Y394-V398 HydrophobicContact CD2-CG2 4.21Å; Y394-V398 HydrophobicContact CE1-CG2 4.25Å; Y394-V398 HydrophobicContact CE2-CG2 3.79Å; Y394-V398 WeakPolarHBondContact O-CG2 3.4Å; Y394-V398 PolarHBondContact O-N 3.43Å
395	I	89	Confident	85.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-44.8	177.3	-68.7	164.8	0	0	0	110.9	L279 F283 F312 L316 F321 L327 I391 Q392 V393 E397 V398 Y399	L279-I395 HydrophobicContact CD1-CD1 4.44Å; L279-I395 HydrophobicContact CD1-CG1 4.43Å; L279-I395 HydrophobicContact CD1-CG2 4.23Å; L279-I395 HydrophobicContact CD2-CD1 3.61Å; L279-I395 HydrophobicContact CD2-CG1 4.26Å; F283-I395 HydrophobicContact CE2-CG1 4.27Å; F283-I395 HydrophobicContact CZ-CG1 4Å; F312-I395 HydrophobicContact CD1-CG2 4.14Å; F312-I395 HydrophobicContact CE1-CG2 4Å; L316-I395 HydrophobicContact CD2-CG2 4.36Å; F321-I395 HydrophobicContact CE2-CB 4.42Å; F321-I395 HydrophobicContact CE2-CD1 3.8Å; F321-I395 HydrophobicContact CE2-CG2 3.91Å; F321-I395 HydrophobicContact CZ-CB 4.14Å; F321-I395 HydrophobicContact CZ-CD1 4.06Å; F321-I395 HydrophobicContact CZ-CG2 3.91Å; L327-I395 HydrophobicContact CD1-CD1 3.92Å; I391-I395 HydrophobicContact CG2-CD1 3.84Å; I391-I395 HydrophobicContact CG2-CG1 4.48Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.49Å; I391-I395 PolarHBondContact O-N 3.48Å; Q392-I395 PolarHBondContact O-N 3.41Å; V393-I395 PolarHBondContact O-N 3.47Å; I395-E397 VanDerWaalsContact C-N 3.35Å; I395-V398 PolarHBondContact O-N 3.34Å; I395-Y399 VanDerWaalsContact O-CB 3.3Å; I395-Y399 WeakPolarHBondContact O-CB 3.39Å; I395-Y399 PolarHBondContact O-N 2.98Å
396	K	90.3	Very high	87.3	Confident	89 Å²	89	37.2 Å²	37.2	39%	0.387	19%	0.185	S	C	.	.	H	α-helix	trans	-64.5	-39.4	177	-73.8	-179.6	179.3	-178.9	0	111.9	L316 Q392 V393 Y394 Y399 N400	L316-K396 HydrophobicContact CD2-CG 4.36Å; Q392-K396 WeakPolarHBondContact O-CG 3.34Å; Q392-K396 PolarHBondContact O-N 2.99Å; V393-K396 PolarHBondContact O-N 3.18Å; Y394-K396 PolarHBondContact O-N 3.38Å; K396-Y399 PolarHBondContact O-N 2.73Å; K396-N400 PolarHBondContact O-N 3.44Å; K396-N400 PolarHBondContact O-ND2 3.06Å
397	E	92.2	Very high	89.3	Confident	67 Å²	67	31.1 Å²	31.1	31%	0.313	16%	0.158	S	C	.	.	H	α-helix	trans	-62.3	-48.2	178.2	-173.9	172	177.3	0	0	111.2	V393 Y394 I395 N400 Q401 G432 S434	V393-E397 WeakPolarHBondContact O-CB 3.22Å; V393-E397 PolarHBondContact O-N 3.32Å; Y394-E397 PolarHBondContact O-N 2.91Å; I395-E397 VanDerWaalsContact C-N 3.35Å; E397-N400 PolarHBondContact O-N 3.13Å; E397-Q401 PolarHBondContact O-N 2.96Å; E397-G432 WeakPolarHBondContact CA-O 3.37Å; E397-G432 PolarHBondContact N-O 2.85Å; E397-S434 WeakPolarHBondContact OE1-CB 3.38Å
398	V	92.4	Very high	90.6	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-41.2	178.2	173.4	0	0	0	0	111.4	F283 V286 F312 Y394 I395 N400 Q401 I402	F283-V398 HydrophobicContact CD1-CG1 4.04Å; F283-V398 HydrophobicContact CE1-CB 4.03Å; F283-V398 HydrophobicContact CE1-CG1 3.75Å; F283-V398 HydrophobicContact CE1-CG2 4.01Å; V286-V398 HydrophobicContact CG1-CG1 4.21Å; V286-V398 HydrophobicContact CG2-CG1 4.04Å; F312-V398 HydrophobicContact CE2-CG1 4.33Å; F312-V398 HydrophobicContact CZ-CG1 3.98Å; Y394-V398 HydrophobicContact CD2-CG2 4.21Å; Y394-V398 HydrophobicContact CE1-CG2 4.25Å; Y394-V398 HydrophobicContact CE2-CG2 3.79Å; Y394-V398 WeakPolarHBondContact O-CG2 3.4Å; Y394-V398 PolarHBondContact O-N 3.43Å; I395-V398 PolarHBondContact O-N 3.34Å; V398-N400 VanDerWaalsContact C-N 3.34Å; V398-N400 PolarHBondContact O-N 3.42Å; V398-Q401 PolarHBondContact O-N 3.36Å; V398-I402 WeakPolarHBondContact O-CG2 3.2Å; V398-I402 PolarHBondContact O-N 3.18Å
399	Y	94.4	Very high	91.7	Very high	36 Å²	36	27.1 Å²	27.1	14%	0.141	14%	0.135	C	C	.	.	H	α-helix	trans	-56.9	-46.4	173.6	164.1	-114.4	0	0	0	112	F312 E313 L316 I395 K396 I402 S403 R422	F312-Y399 HydrophobicContact CB-CD2 3.3Å; F312-Y399 HydrophobicContact CB-CE2 3.94Å; F312-Y399 HydrophobicContact CB-CG 4.05Å; F312-Y399 HydrophobicContact CD2-CD2 4.2Å; F312-Y399 AromaticContact CG-CD2 3.91Å; F312-Y399 HydrophobicContact CG-CD2 3.91Å; F312-Y399 HydrophobicContact CG-CG 4.38Å; E313-Y399 HydrophobicContact CG-CE2 3.82Å; E313-Y399 WeakPolarHBondContact CG-OH 3.5Å; E313-Y399 PolarHBondContact OE1-OH 3.45Å; L316-Y399 HydrophobicContact CD1-CD1 3.5Å; L316-Y399 VanDerWaalsContact CD1-CD1 3.5Å; L316-Y399 HydrophobicContact CD1-CD2 4.14Å; L316-Y399 HydrophobicContact CD1-CE1 3.81Å; L316-Y399 HydrophobicContact CD1-CE2 4.39Å; L316-Y399 HydrophobicContact CD1-CG 3.64Å; I395-Y399 VanDerWaalsContact O-CB 3.3Å; I395-Y399 WeakPolarHBondContact O-CB 3.39Å; I395-Y399 PolarHBondContact O-N 2.98Å; K396-Y399 PolarHBondContact O-N 2.73Å; Y399-I402 VanDerWaalsContact O-CG2 3.31Å; Y399-I402 WeakPolarHBondContact O-CG2 3.2Å; Y399-S403 VanDerWaalsContact CE2-OG 3.26Å; Y399-S403 WeakPolarHBondContact CE2-OG 3.47Å; Y399-S403 WeakPolarHBondContact O-CB 3.48Å; Y399-S403 PolarHBondContact O-N 2.97Å; Y399-S403 PolarHBondContact O-OG 2.92Å; Y399-R422 VanDerWaalsContact CE2-NH2 3.34Å; Y399-R422 VanDerWaalsContact CZ-NH2 3.29Å; Y399-R422 PolarHBondContact OH-NH1 3.21Å; Y399-R422 PolarHBondContact OH-NH2 3.38Å
400	N	96.4	Very high	92.5	Very high	9 Å²	9	22 Å²	22	5%	0.048	11%	0.111	C	C	.	.	H	α-helix	trans	-69.2	-36.3	179.3	-79.6	-70.2	0	0	0	112.2	K396 E397 V398 S403 L404 S431 A433 V437	K396-N400 PolarHBondContact O-N 3.44Å; K396-N400 PolarHBondContact O-ND2 3.06Å; E397-N400 PolarHBondContact O-N 3.13Å; V398-N400 VanDerWaalsContact C-N 3.34Å; V398-N400 PolarHBondContact O-N 3.42Å; N400-S403 PolarHBondContact O-N 3.5Å; N400-L404 WeakPolarHBondContact O-CB 3.33Å; N400-L404 PolarHBondContact O-N 3.09Å; N400-S431 PolarHBondContact ND2-O 3.46Å; N400-A433 HydrophobicContact CB-CB 3.47Å; N400-A433 VanDerWaalsContact CB-CB 3.47Å; N400-A433 PolarHBondContact ND2-N 3.47Å; N400-V437 HydrophobicContact CB-CG1 4.3Å
401	Q	95.5	Very high	93	Very high	22 Å²	22	20.8 Å²	20.8	10%	0.103	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-48	175.2	-172.7	-174.6	39.9	0	0	111.6	P221 F222 E397 V398 S403 L404 L405 V437	P221-Q401 PolarHBondContact O-NE2 2.59Å; F222-Q401 HydrophobicContact CD1-CG 4.2Å; E397-Q401 PolarHBondContact O-N 2.96Å; V398-Q401 PolarHBondContact O-N 3.36Å; Q401-S403 VanDerWaalsContact C-N 3.34Å; Q401-L404 WeakPolarHBondContact O-CB 3.46Å; Q401-L404 PolarHBondContact O-N 3.35Å; Q401-L405 PolarHBondContact O-N 3.4Å; Q401-V437 HydrophobicContact CB-CG2 4.11Å; Q401-V437 HydrophobicContact CG-CG2 4.14Å
402	I	96.7	Very high	93.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-71.6	-32.1	178.5	-164.7	59.9	0	0	0	112.1	V286 A289 A308 V309 F312 V398 Y399 L404 L405 H406	V286-I402 HydrophobicContact CG1-CB 4.45Å; V286-I402 HydrophobicContact CG1-CD1 4.35Å; V286-I402 HydrophobicContact CG2-CB 4.06Å; V286-I402 HydrophobicContact CG2-CG1 4.08Å; V286-I402 HydrophobicContact CG2-CG2 4.14Å; A289-I402 HydrophobicContact CB-CD1 3.8Å; A308-I402 HydrophobicContact CB-CG1 3.81Å; A308-I402 HydrophobicContact CB-CG2 4.37Å; V309-I402 HydrophobicContact CG2-CG2 4.1Å; F312-I402 HydrophobicContact CD2-CG2 4.05Å; F312-I402 HydrophobicContact CE2-CG2 4.1Å; V398-I402 WeakPolarHBondContact O-CG2 3.2Å; V398-I402 PolarHBondContact O-N 3.18Å; Y399-I402 VanDerWaalsContact O-CG2 3.31Å; Y399-I402 WeakPolarHBondContact O-CG2 3.2Å; I402-L404 VanDerWaalsContact C-N 3.34Å; I402-L405 HydrophobicContact CD1-CB 4.31Å; I402-L405 HydrophobicContact CD1-CD2 3.95Å; I402-L405 PolarHBondContact O-N 3.25Å; I402-H406 WeakPolarHBondContact O-CB 3.37Å; I402-H406 PolarHBondContact O-N 3.01Å
403	S	97.9	Very high	93.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-40.4	172.1	-68.8	0	0	0	0	112.2	Y399 N400 Q401 L405 H406 A407 R422	Y399-S403 VanDerWaalsContact CE2-OG 3.26Å; Y399-S403 WeakPolarHBondContact CE2-OG 3.47Å; Y399-S403 WeakPolarHBondContact O-CB 3.48Å; Y399-S403 PolarHBondContact O-N 2.97Å; Y399-S403 PolarHBondContact O-OG 2.92Å; N400-S403 PolarHBondContact O-N 3.5Å; Q401-S403 VanDerWaalsContact C-N 3.34Å; S403-L405 VanDerWaalsContact C-N 3.34Å; S403-H406 PolarHBondContact O-N 3.31Å; S403-A407 VanDerWaalsContact O-CB 3.25Å; S403-A407 WeakPolarHBondContact O-CB 3.49Å; S403-A407 PolarHBondContact O-N 3.21Å; S403-R422 PolarHBondContact OG-NH2 2.94Å
404	L	98	Very high	93.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-41.7	174.1	175.7	67.2	0	0	0	111.3	P221 F222 N400 Q401 I402 T408 F423 I426 V437 N440 A441 K444	P221-L404 HydrophobicContact CB-CD2 3.65Å; P221-L404 HydrophobicContact CG-CD2 3.78Å; F222-L404 HydrophobicContact CE1-CB 4.35Å; F222-L404 HydrophobicContact CE1-CD2 4.08Å; F222-L404 HydrophobicContact CE1-CG 4.13Å; F222-L404 HydrophobicContact CZ-CD2 4.15Å; F222-L404 HydrophobicContact CZ-CG 4.06Å; N400-L404 WeakPolarHBondContact O-CB 3.33Å; N400-L404 PolarHBondContact O-N 3.09Å; Q401-L404 WeakPolarHBondContact O-CB 3.46Å; Q401-L404 PolarHBondContact O-N 3.35Å; I402-L404 VanDerWaalsContact C-N 3.34Å; L404-T408 WeakPolarHBondContact O-CB 3.31Å; L404-T408 PolarHBondContact O-N 3.19Å; L404-T408 PolarHBondContact O-OG1 2.94Å; L404-F423 HydrophobicContact CD1-CD1 3.84Å; L404-F423 HydrophobicContact CD1-CE1 3.82Å; L404-I426 HydrophobicContact CB-CD1 4.05Å; L404-V437 HydrophobicContact CB-CG1 4.14Å; L404-V437 HydrophobicContact CD2-CB 4.25Å; L404-V437 HydrophobicContact CD2-CG1 3.87Å; L404-V437 HydrophobicContact CD2-CG2 4.3Å; L404-N440 HydrophobicContact CD2-CB 4.08Å; L404-A441 HydrophobicContact CD1-CB 3.86Å; L404-K444 HydrophobicContact CD1-CD 4.02Å
405	L	97.4	Very high	93.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-47.7	176.9	-176.4	58.9	0	0	0	111.1	F222 A289 L290 M293 Q401 I402 S403 T408 Y409	F222-L405 HydrophobicContact CD1-CB 4.2Å; F222-L405 HydrophobicContact CD2-CD1 4.38Å; F222-L405 HydrophobicContact CE1-CB 3.55Å; F222-L405 HydrophobicContact CE1-CD1 4.12Å; F222-L405 HydrophobicContact CE1-CG 4.36Å; F222-L405 HydrophobicContact CE2-CD1 3.92Å; F222-L405 HydrophobicContact CZ-CB 3.9Å; F222-L405 HydrophobicContact CZ-CD1 3.78Å; F222-L405 HydrophobicContact CZ-CG 4.44Å; A289-L405 HydrophobicContact CB-CD2 4.49Å; L290-L405 HydrophobicContact CD2-CD2 3.94Å; M293-L405 HydrophobicContact SD-CD1 3.77Å; M293-L405 HydrophobicContact SD-CD2 4.28Å; Q401-L405 PolarHBondContact O-N 3.4Å; I402-L405 HydrophobicContact CD1-CB 4.31Å; I402-L405 HydrophobicContact CD1-CD2 3.95Å; I402-L405 PolarHBondContact O-N 3.25Å; S403-L405 VanDerWaalsContact C-N 3.34Å; L405-T408 WeakPolarHBondContact O-CB 3.41Å; L405-T408 PolarHBondContact O-N 3.22Å; L405-T408 VanDerWaalsContact O-N 3.17Å; L405-Y409 HydrophobicContact CD1-CD2 4.29Å; L405-Y409 HydrophobicContact CD1-CE2 3.64Å; L405-Y409 HydrophobicContact CD2-CE2 4.1Å; L405-Y409 HydrophobicContact CG-CD2 4.1Å; L405-Y409 HydrophobicContact CG-CE2 3.57Å; L405-Y409 WeakPolarHBondContact O-CD2 3.42Å; L405-Y409 PolarHBondContact O-N 3.4Å
406	H	97.9	Very high	93.3	Very high	19 Å²	19	20.1 Å²	20.1	9%	0.088	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-48.1	178.4	-177.6	57.8	0	0	0	112	S305 V309 I402 S403 T408 Y409 Q410	S305-H406 PolarHBondContact OG-ND1 2.74Å; V309-H406 HydrophobicContact CG2-CB 3.9Å; I402-H406 WeakPolarHBondContact O-CB 3.37Å; I402-H406 PolarHBondContact O-N 3.01Å; S403-H406 PolarHBondContact O-N 3.31Å; H406-T408 VanDerWaalsContact C-N 3.26Å; H406-T408 PolarHBondContact O-N 2.97Å; H406-Y409 WeakPolarHBondContact O-CA 3.37Å; H406-Y409 WeakPolarHBondContact O-CB 3.31Å; H406-Y409 PolarHBondContact O-N 3Å; H406-Q410 PolarHBondContact O-N 3.46Å
407	A	97.7	Very high	93.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-35.5	175.5	0	0	0	0	0	112.2	S403 Y409 Q410 A411 A419 R422 F423	S403-A407 VanDerWaalsContact O-CB 3.25Å; S403-A407 WeakPolarHBondContact O-CB 3.49Å; S403-A407 PolarHBondContact O-N 3.21Å; A407-Y409 VanDerWaalsContact C-N 3.34Å; A407-Y409 PolarHBondContact O-N 3.5Å; A407-Q410 PolarHBondContact O-N 3.13Å; A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 3.49Å; A407-A419 VanDerWaalsContact O-CB 3.28Å; A407-A419 WeakPolarHBondContact O-CB 3.21Å; A407-R422 HydrophobicContact CB-CB 3.8Å; A407-R422 HydrophobicContact CB-CG 3.7Å; A407-F423 HydrophobicContact CB-CD1 3.85Å; A407-F423 HydrophobicContact CB-CE1 3.37Å; A407-F423 HydrophobicContact CB-CZ 3.87Å
408	T	96.4	Very high	93	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-43.7	172.2	-64.2	0	0	0	0	111.2	Y213 L214 L404 L405 H406 A411 L412 K444	Y213-T408 HydrophobicContact CD1-CG2 4.39Å; Y213-T408 HydrophobicContact CE1-CG2 3.61Å; L214-T408 HydrophobicContact CD2-CG2 4.4Å; L404-T408 WeakPolarHBondContact O-CB 3.31Å; L404-T408 PolarHBondContact O-N 3.19Å; L404-T408 PolarHBondContact O-OG1 2.94Å; L405-T408 WeakPolarHBondContact O-CB 3.41Å; L405-T408 PolarHBondContact O-N 3.22Å; L405-T408 VanDerWaalsContact O-N 3.17Å; H406-T408 VanDerWaalsContact C-N 3.26Å; H406-T408 PolarHBondContact O-N 2.97Å; T408-A411 PolarHBondContact O-N 3.27Å; T408-L412 HydrophobicContact CG2-CD1 3.88Å; T408-L412 HydrophobicContact CG2-CG 4.41Å; T408-L412 WeakPolarHBondContact O-CB 3.31Å; T408-L412 WeakPolarHBondContact O-CG 3.5Å; T408-L412 PolarHBondContact O-N 2.93Å; T408-K444 WeakPolarHBondContact OG1-CE 3.3Å; T408-K444 PolarHBondContact OG1-NZ 3.28Å; T408-K444 VanDerWaalsContact OG1-NZ 3.14Å
409	Y	96	Very high	93.1	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-38.6	175	-68.9	-50.3	0	0	0	113	L204 I210 Y298 S301 A302 L405 H406 A407 L412 A413	L204-Y409 HydrophobicContact CD1-CD1 4.3Å; L204-Y409 HydrophobicContact CD2-CD1 3.85Å; L204-Y409 HydrophobicContact CD2-CG 4.38Å; I210-Y409 HydrophobicContact CG2-CE1 4.36Å; Y298-Y409 HydrophobicContact CD1-CE1 4.19Å; S301-Y409 WeakPolarHBondContact CB-OH 3.36Å; S301-Y409 WeakPolarHBondContact OG-CE2 3.44Å; S301-Y409 PolarHBondContact OG-OH 3.34Å; A302-Y409 VanDerWaalsContact CA-CD2 3.49Å; A302-Y409 HydrophobicContact CB-CD1 4.32Å; A302-Y409 HydrophobicContact CB-CD2 3.62Å; A302-Y409 HydrophobicContact CB-CE2 4.08Å; A302-Y409 HydrophobicContact CB-CG 3.74Å; L405-Y409 HydrophobicContact CD1-CD2 4.29Å; L405-Y409 HydrophobicContact CD1-CE2 3.64Å; L405-Y409 HydrophobicContact CD2-CE2 4.1Å; L405-Y409 HydrophobicContact CG-CD2 4.1Å; L405-Y409 HydrophobicContact CG-CE2 3.57Å; L405-Y409 WeakPolarHBondContact O-CD2 3.42Å; L405-Y409 PolarHBondContact O-N 3.4Å; H406-Y409 WeakPolarHBondContact O-CA 3.37Å; H406-Y409 WeakPolarHBondContact O-CB 3.31Å; H406-Y409 PolarHBondContact O-N 3Å; A407-Y409 VanDerWaalsContact C-N 3.34Å; A407-Y409 PolarHBondContact O-N 3.5Å; Y409-L412 PolarHBondContact O-N 2.69Å; Y409-A413 VanDerWaalsContact O-CB 3.27Å; Y409-A413 WeakPolarHBondContact O-CB 3.16Å; Y409-A413 PolarHBondContact O-N 2.95Å
410	Q	93.7	Very high	93	Very high	20 Å²	20	22.8 Å²	22.8	9%	0.093	12%	0.116	C	C	.	.	H	α-helix	trans	-58.7	-49.6	172.9	-74.5	173.8	-55	0	0	111.1	H406 A407 L412 A413 G414 R415 E418 A419	H406-Q410 PolarHBondContact O-N 3.46Å; A407-Q410 PolarHBondContact O-N 3.13Å; Q410-L412 VanDerWaalsContact C-N 3.35Å; Q410-L412 PolarHBondContact O-N 2.74Å; Q410-A413 CarbonylContact O-C 3.24Å; Q410-A413 PolarHBondContact O-N 3Å; Q410-G414 PolarHBondContact O-N 3.44Å; Q410-R415 HydrophobicContact CB-CB 4.02Å; Q410-R415 WeakPolarHBondContact O-CA 3.46Å; Q410-R415 WeakPolarHBondContact O-CB 3.3Å; Q410-R415 PolarHBondContact O-N 3.23Å; Q410-E418 PolarHBondContact NE2-OE2 3.08Å; Q410-A419 HydrophobicContact CB-CB 3.98Å
411	A	91.8	Very high	92.9	Very high	19 Å²	19	28.1 Å²	28.1	16%	0.157	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-45.5	177	0	0	0	0	0	111.9	A407 T408 A413 G414 A419 F423 L448	A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 3.49Å; T408-A411 PolarHBondContact O-N 3.27Å; A411-A413 VanDerWaalsContact C-N 3.3Å; A411-A413 PolarHBondContact O-N 3.13Å; A411-G414 PolarHBondContact O-N 3.25Å; A411-G414 VanDerWaalsContact O-N 3.15Å; A411-A419 HydrophobicContact CB-CB 3.67Å; A411-F423 HydrophobicContact CB-CE2 4.14Å; A411-F423 HydrophobicContact CB-CZ 4.28Å; A411-L448 HydrophobicContact CB-CD1 4.12Å; A411-L448 HydrophobicContact CB-CD2 4.34Å
412	L	90.4	Very high	93	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-30.4	179.7	-70.3	171.8	0	0	0	112.9	L204 P205 F209 I210 Y213 T408 Y409 Q410 G414	L204-L412 HydrophobicContact CD2-CB 4.26Å; P205-L412 WeakPolarHBondContact CD-O 3.4Å; P205-L412 HydrophobicContact CG-CB 4.27Å; F209-L412 HydrophobicContact CD1-CD2 4.46Å; F209-L412 HydrophobicContact CE1-CD2 3.82Å; I210-L412 HydrophobicContact CG1-CD1 4.35Å; I210-L412 HydrophobicContact CG2-CD1 4.24Å; Y213-L412 HydrophobicContact CD1-CD1 3.98Å; Y213-L412 HydrophobicContact CD1-CD2 4.09Å; Y213-L412 HydrophobicContact CD2-CD2 4.4Å; Y213-L412 HydrophobicContact CE1-CD1 4.23Å; Y213-L412 HydrophobicContact CE1-CD2 4.33Å; Y213-L412 HydrophobicContact CG-CD2 4.12Å; T408-L412 HydrophobicContact CG2-CD1 3.88Å; T408-L412 HydrophobicContact CG2-CG 4.41Å; T408-L412 WeakPolarHBondContact O-CB 3.31Å; T408-L412 WeakPolarHBondContact O-CG 3.5Å; T408-L412 PolarHBondContact O-N 2.93Å; Y409-L412 PolarHBondContact O-N 2.69Å; Q410-L412 VanDerWaalsContact C-N 3.35Å; Q410-L412 PolarHBondContact O-N 2.74Å; L412-G414 VanDerWaalsContact C-N 3.26Å
413	A	89.5	Confident	93.1	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.9	174.9	0	0	0	0	0	113.8	H202 E203 L204 Y409 Q410 A411	H202-A413 VanDerWaalsContact CA-O 3.27Å; H202-A413 WeakPolarHBondContact CA-O 3.49Å; H202-A413 HydrophobicContact CB-CB 4.48Å; H202-A413 VanDerWaalsContact CB-O 3.31Å; H202-A413 WeakPolarHBondContact CB-O 3.43Å; H202-A413 PolarHBondContact CD2-O 3.39Å; E203-A413 WeakPolarHBondContact O-CA 3.33Å; L204-A413 HydrophobicContact CD2-CB 4.16Å; Y409-A413 VanDerWaalsContact O-CB 3.27Å; Y409-A413 WeakPolarHBondContact O-CB 3.16Å; Y409-A413 PolarHBondContact O-N 2.95Å; Q410-A413 CarbonylContact O-C 3.24Å; Q410-A413 PolarHBondContact O-N 3Å; A411-A413 VanDerWaalsContact C-N 3.3Å; A411-A413 PolarHBondContact O-N 3.13Å
414	G	82.9	Confident	93	Very high	25 Å²	25	32.3 Å²	32.3	26%	0.258	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-4.4	178.8	0	0	0	0	0	115.5	Q410 A411 L412 S416	Q410-G414 PolarHBondContact O-N 3.44Å; A411-G414 PolarHBondContact O-N 3.25Å; A411-G414 VanDerWaalsContact O-N 3.15Å; L412-G414 VanDerWaalsContact C-N 3.26Å; G414-S416 PolarHBondContact O-N 3.49Å; G414-S416 PolarHBondContact O-OG 2.71Å
415	R	86.2	Confident	92.9	Very high	74 Å²	74	36.3 Å²	36.3	28%	0.279	18%	0.179	S	C	.	.			trans	-77.9	66.3	174.5	-67.7	-171.9	-69.8	-86	-0.7	110.8	H202 Q410 A419	H202-R415 HydrophobicContact CB-CG 4.04Å; Q410-R415 HydrophobicContact CB-CB 4.02Å; Q410-R415 WeakPolarHBondContact O-CA 3.46Å; Q410-R415 WeakPolarHBondContact O-CB 3.3Å; Q410-R415 PolarHBondContact O-N 3.23Å; R415-A419 VanDerWaalsContact O-CB 3.3Å; R415-A419 WeakPolarHBondContact O-CB 3.28Å; R415-A419 PolarHBondContact O-N 3.41Å
416	S	85	Confident	92.9	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-73.1	-37.8	-167.8	-57.6	0	0	0	0	113.4	G414 A419 K420	G414-S416 PolarHBondContact O-N 3.49Å; G414-S416 PolarHBondContact O-OG 2.71Å; S416-A419 PolarHBondContact O-N 2.98Å; S416-K420 VanDerWaalsContact O-CB 3.24Å; S416-K420 WeakPolarHBondContact O-CB 3.2Å; S416-K420 PolarHBondContact O-N 3.36Å
417	E	86.2	Confident	92.8	Very high	123 Å²	123	35.5 Å²	35.5	58%	0.575	18%	0.176	S	C	*	.	H	α-helix	trans	-62.3	-55.1	179.6	-63.2	-56.7	149.5	0	0	111.7	A419 K420 E421	E417-A419 VanDerWaalsContact C-N 3.28Å; E417-A419 PolarHBondContact O-N 2.71Å; E417-K420 PolarHBondContact O-N 3.16Å; E417-K420 VanDerWaalsContact O-N 3.17Å; E417-E421 PolarHBondContact O-N 2.92Å
418	E	90.5	Very high	92.6	Very high	101 Å²	101	39.4 Å²	39.4	47%	0.472	20%	0.195	S	C	.	.	H	α-helix	trans	-56.5	-43.9	177.3	-65.3	169	-150.3	0	0	111.3	Q410 R422	Q410-E418 PolarHBondContact NE2-OE2 3.08Å; E418-R422 WeakPolarHBondContact O-CB 3.49Å; E418-R422 PolarHBondContact O-N 3.3Å; E418-R422 VanDerWaalsContact O-N 3.08Å
419	A	94	Very high	92.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-41.4	179.6	0	0	0	0	0	112.2	A407 Q410 A411 R415 S416 E417 R422 F423 L448	A407-A419 VanDerWaalsContact O-CB 3.28Å; A407-A419 WeakPolarHBondContact O-CB 3.21Å; Q410-A419 HydrophobicContact CB-CB 3.98Å; A411-A419 HydrophobicContact CB-CB 3.67Å; R415-A419 VanDerWaalsContact O-CB 3.3Å; R415-A419 WeakPolarHBondContact O-CB 3.28Å; R415-A419 PolarHBondContact O-N 3.41Å; S416-A419 PolarHBondContact O-N 2.98Å; E417-A419 VanDerWaalsContact C-N 3.28Å; E417-A419 PolarHBondContact O-N 2.71Å; A419-R422 PolarHBondContact O-N 3.3Å; A419-F423 HydrophobicContact CB-CE2 4.01Å; A419-F423 HydrophobicContact CB-CZ 4.37Å; A419-F423 WeakPolarHBondContact O-CD2 3.15Å; A419-F423 WeakPolarHBondContact O-CG 3.4Å; A419-F423 PolarHBondContact O-N 2.91Å; A419-L448 HydrophobicContact CB-CD1 4.11Å
420	K	93.2	Very high	92.1	Very high	30 Å²	30	51.5 Å²	51.5	13%	0.13	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-49.4	179.7	-176.4	-177.3	174.3	-177	0	110.8	S416 E417 R422 F423 Q424 L448 S449 D453	S416-K420 VanDerWaalsContact O-CB 3.24Å; S416-K420 WeakPolarHBondContact O-CB 3.2Å; S416-K420 PolarHBondContact O-N 3.36Å; E417-K420 PolarHBondContact O-N 3.16Å; E417-K420 VanDerWaalsContact O-N 3.17Å; K420-R422 VanDerWaalsContact C-N 3.27Å; K420-R422 PolarHBondContact O-N 3.19Å; K420-F423 PolarHBondContact O-N 3.42Å; K420-Q424 WeakPolarHBondContact O-CG 3.42Å; K420-Q424 PolarHBondContact O-N 3.34Å; K420-L448 HydrophobicContact CB-CD1 4Å; K420-S449 VanDerWaalsContact CE-OG 3.22Å; K420-S449 WeakPolarHBondContact CE-OG 3.36Å; K420-S449 PolarHBondContact NZ-OG 3.24Å; K420-D453 IonicContact NZ-OD2 3.67Å; K420-D453 PolarHBondContact NZ-OD2 2.66Å
421	E	95	Very high	92	Very high	121 Å²	121	51.6 Å²	51.6	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-56.2	-46	175.9	-174.3	-174.5	171.1	0	0	110.5	E417 F423 Q424 N425	E417-E421 PolarHBondContact O-N 2.92Å; E421-F423 PolarHBondContact O-N 2.93Å; E421-Q424 PolarHBondContact O-N 3.3Å; E421-N425 PolarHBondContact O-N 2.94Å; E421-N425 PolarHBondContact O-ND2 2.9Å
422	R	97.1	Very high	92	Very high	44 Å²	44	52.3 Å²	52.3	17%	0.166	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.6	179	-165.1	59.4	167.5	-151	-3.5	112.5	V309 E313 Y399 S403 A407 E418 A419 K420 N425 I426	V309-R422 VanDerWaalsContact CG1-NH2 3.28Å; E313-R422 IonicContact OE1-CZ 2.73Å; E313-R422 IonicContact OE1-NH1 2.67Å; E313-R422 PolarHBondContact OE1-NH1 3.01Å; E313-R422 IonicContact OE1-NH2 2.74Å; E313-R422 PolarHBondContact OE1-NH2 3.34Å; Y399-R422 VanDerWaalsContact CE2-NH2 3.34Å; Y399-R422 VanDerWaalsContact CZ-NH2 3.29Å; Y399-R422 PolarHBondContact OH-NH1 3.21Å; Y399-R422 PolarHBondContact OH-NH2 3.38Å; S403-R422 PolarHBondContact OG-NH2 2.94Å; A407-R422 HydrophobicContact CB-CB 3.8Å; A407-R422 HydrophobicContact CB-CG 3.7Å; E418-R422 WeakPolarHBondContact O-CB 3.49Å; E418-R422 PolarHBondContact O-N 3.3Å; E418-R422 VanDerWaalsContact O-N 3.08Å; A419-R422 PolarHBondContact O-N 3.3Å; K420-R422 VanDerWaalsContact C-N 3.27Å; K420-R422 PolarHBondContact O-N 3.19Å; R422-N425 PolarHBondContact O-N 3.46Å; R422-I426 HydrophobicContact CG-CD1 4.15Å; R422-I426 WeakPolarHBondContact O-CD1 3.27Å; R422-I426 VanDerWaalsContact O-CG1 3.24Å; R422-I426 WeakPolarHBondContact O-CG1 2.99Å; R422-I426 PolarHBondContact O-N 3.41Å
423	F	97.8	Very high	92.1	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-41	175.6	-65.3	-38.2	0	0	0	112.7	L404 A407 A411 A419 K420 E421 I426 G427 A441 K444 L448	L404-F423 HydrophobicContact CD1-CD1 3.84Å; L404-F423 HydrophobicContact CD1-CE1 3.82Å; A407-F423 HydrophobicContact CB-CD1 3.85Å; A407-F423 HydrophobicContact CB-CE1 3.37Å; A407-F423 HydrophobicContact CB-CZ 3.87Å; A411-F423 HydrophobicContact CB-CE2 4.14Å; A411-F423 HydrophobicContact CB-CZ 4.28Å; A419-F423 HydrophobicContact CB-CE2 4.01Å; A419-F423 HydrophobicContact CB-CZ 4.37Å; A419-F423 WeakPolarHBondContact O-CD2 3.15Å; A419-F423 WeakPolarHBondContact O-CG 3.4Å; A419-F423 PolarHBondContact O-N 2.91Å; K420-F423 PolarHBondContact O-N 3.42Å; E421-F423 PolarHBondContact O-N 2.93Å; F423-I426 PolarHBondContact O-N 3.01Å; F423-G427 PolarHBondContact O-N 2.83Å; F423-A441 HydrophobicContact CB-CB 4.33Å; F423-A441 WeakPolarHBondContact CB-O 3.39Å; F423-A441 HydrophobicContact CD1-CB 4.4Å; F423-A441 WeakPolarHBondContact O-CB 3.27Å; F423-K444 HydrophobicContact CD1-CB 4.22Å; F423-K444 HydrophobicContact CD1-CD 4.29Å; F423-K444 HydrophobicContact CD2-CB 3.72Å; F423-K444 HydrophobicContact CE1-CB 4.13Å; F423-K444 HydrophobicContact CE1-CD 3.65Å; F423-K444 HydrophobicContact CE2-CB 3.62Å; F423-K444 HydrophobicContact CE2-CD 4.34Å; F423-K444 HydrophobicContact CG-CB 4.05Å; F423-K444 HydrophobicContact CZ-CB 3.85Å; F423-K444 HydrophobicContact CZ-CD 3.69Å; F423-K444 HydrophobicContact CZ-CG 4.36Å; F423-L448 HydrophobicContact CD2-CD1 3.9Å; F423-L448 HydrophobicContact CE2-CD1 3.67Å; F423-L448 HydrophobicContact CE2-CG 4.5Å
424	Q	95.7	Very high	92.2	Very high	65 Å²	65	53.2 Å²	53.2	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-43.5	178.5	-70.5	178.3	-28.4	0	0	111.3	K420 E421 G427 M428 S445	K420-Q424 WeakPolarHBondContact O-CG 3.42Å; K420-Q424 PolarHBondContact O-N 3.34Å; E421-Q424 PolarHBondContact O-N 3.3Å; Q424-G427 PolarHBondContact O-N 3.27Å; Q424-M428 WeakPolarHBondContact O-CG 3.33Å; Q424-M428 PolarHBondContact O-N 2.88Å; Q424-S445 WeakPolarHBondContact CG-OG 3.37Å
425	N	96.5	Very high	92.7	Very high	84 Å²	84	54.8 Å²	54.8	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-44.7	176.9	-70.8	-20.6	0	0	0	112	E421 R422 G427 M428 S431	E421-N425 PolarHBondContact O-N 2.94Å; E421-N425 PolarHBondContact O-ND2 2.9Å; R422-N425 PolarHBondContact O-N 3.46Å; N425-G427 VanDerWaalsContact C-N 3.28Å; N425-G427 PolarHBondContact O-N 3.18Å; N425-M428 WeakPolarHBondContact O-CB 3.4Å; N425-M428 PolarHBondContact O-N 3.38Å; N425-S431 WeakPolarHBondContact O-CB 3.46Å
426	I	97.5	Very high	93.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-38.1	175.3	-66.9	164	0	0	0	110.9	L404 R422 F423 M428 S431 A433 V437 A441	L404-I426 HydrophobicContact CB-CD1 4.05Å; R422-I426 HydrophobicContact CG-CD1 4.15Å; R422-I426 WeakPolarHBondContact O-CD1 3.27Å; R422-I426 VanDerWaalsContact O-CG1 3.24Å; R422-I426 WeakPolarHBondContact O-CG1 2.99Å; R422-I426 PolarHBondContact O-N 3.41Å; F423-I426 PolarHBondContact O-N 3.01Å; I426-M428 VanDerWaalsContact C-N 3.25Å; I426-M428 PolarHBondContact O-N 3.48Å; I426-S431 VanDerWaalsContact O-CB 3.32Å; I426-S431 WeakPolarHBondContact O-CB 2.84Å; I426-S431 PolarHBondContact O-OG 3.43Å; I426-A433 HydrophobicContact CG2-CB 3.97Å; I426-V437 HydrophobicContact CG2-CG1 3.68Å; I426-A441 HydrophobicContact CB-CB 3.83Å; I426-A441 HydrophobicContact CG2-CB 3.59Å
427	G	95.5	Very high	93.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.2	-178.6	0	0	0	0	0	115.9	F423 Q424 N425 R465	F423-G427 PolarHBondContact O-N 2.83Å; Q424-G427 PolarHBondContact O-N 3.27Å; N425-G427 VanDerWaalsContact C-N 3.28Å; N425-G427 PolarHBondContact O-N 3.18Å; G427-R465 PolarHBondContact O-NH2 2.92Å
428	M	94.8	Very high	94.1	Very high	82 Å²	82	47 Å²	47	40%	0.404	25%	0.251	S	S	.	.	S	Bend	trans	-62.9	157.7	177.2	-64.8	-59.1	-72.2	0	0	112.4	Q424 N425 I426 D430 S431 R438 R465	Q424-M428 WeakPolarHBondContact O-CG 3.33Å; Q424-M428 PolarHBondContact O-N 2.88Å; N425-M428 WeakPolarHBondContact O-CB 3.4Å; N425-M428 PolarHBondContact O-N 3.38Å; I426-M428 VanDerWaalsContact C-N 3.25Å; I426-M428 PolarHBondContact O-N 3.48Å; M428-D430 VanDerWaalsContact C-N 3.33Å; M428-D430 WeakPolarHBondContact CB-OD1 3.16Å; M428-S431 PolarHBondContact O-OG 2.89Å; M428-R438 PolarHBondContact O-NE 3.14Å; M428-R465 PolarHBondContact SD-NH2 2.94Å
429	V	90.8	Very high	94.4	Very high	119 Å²	119	42.2 Å²	42.2	72%	0.721	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.7	-176.6	178.1	0	0	0	0	112
430	D	90.5	Very high	94.6	Very high	137 Å²	137	42.4 Å²	42.4	73%	0.733	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	7.7	-175.2	58.9	-26.6	0	0	0	113.6	M428 G432	M428-D430 VanDerWaalsContact C-N 3.33Å; M428-D430 WeakPolarHBondContact CB-OD1 3.16Å; D430-G432 PolarHBondContact O-N 3.49Å
431	S	92	Very high	94.8	Very high	23 Å²	23	41 Å²	41	16%	0.161	22%	0.223	C	C	.	.	S	Bend	trans	-63.7	-23	-177.7	66.3	0	0	0	0	113.8	N400 N425 I426 M428 A433	N400-S431 PolarHBondContact ND2-O 3.46Å; N425-S431 WeakPolarHBondContact O-CB 3.46Å; I426-S431 VanDerWaalsContact O-CB 3.32Å; I426-S431 WeakPolarHBondContact O-CB 2.84Å; I426-S431 PolarHBondContact O-OG 3.43Å; M428-S431 PolarHBondContact O-OG 2.89Å; S431-A433 VanDerWaalsContact C-N 3.26Å; S431-A433 WeakPolarHBondContact OG-CB 3.49Å; S431-A433 PolarHBondContact OG-N 2.83Å
432	G	90.3	Very high	94.9	Very high	33 Å²	33	35.2 Å²	35.2	34%	0.34	20%	0.197	S	C	.	.			trans	77.8	9.5	-172.4	0	0	0	0	0	113.8	E397 D430	E397-G432 WeakPolarHBondContact CA-O 3.37Å; E397-G432 PolarHBondContact N-O 2.85Å; D430-G432 PolarHBondContact O-N 3.49Å
433	A	93.6	Very high	94.9	Very high	14 Å²	14	33.1 Å²	33.1	12%	0.116	19%	0.189	C	C	.	.			trans	-78.5	148.3	175.1	0	0	0	0	0	112	N400 I426 S431 V437 R438	N400-A433 HydrophobicContact CB-CB 3.47Å; N400-A433 VanDerWaalsContact CB-CB 3.47Å; N400-A433 PolarHBondContact ND2-N 3.47Å; I426-A433 HydrophobicContact CG2-CB 3.97Å; S431-A433 VanDerWaalsContact C-N 3.26Å; S431-A433 WeakPolarHBondContact OG-CB 3.49Å; S431-A433 PolarHBondContact OG-N 2.83Å; A433-V437 HydrophobicContact CB-CB 4.36Å; A433-V437 HydrophobicContact CB-CG1 3.91Å; A433-R438 HydrophobicContact CB-CG 3.45Å; A433-R438 VanDerWaalsContact CB-CG 3.45Å; A433-R438 WeakPolarHBondContact O-CD 3.36Å
434	S	92	Very high	94.8	Very high	29 Å²	29	33.3 Å²	33.3	20%	0.203	19%	0.19	C	C	.	.			trans	-62.7	158	173.8	83.3	0	0	0	0	111.8	E397 V436 V437 R438	E397-S434 WeakPolarHBondContact OE1-CB 3.38Å; S434-V436 VanDerWaalsContact C-N 3.29Å; S434-V436 PolarHBondContact O-N 3.25Å; S434-V437 PolarHBondContact O-N 3.17Å; S434-V437 VanDerWaalsContact O-N 3.14Å; S434-V437 VanDerWaalsContact OG-CG2 3.28Å; S434-V437 WeakPolarHBondContact OG-CG2 3.46Å; S434-V437 PolarHBondContact OG-N 2.9Å; S434-R438 WeakPolarHBondContact O-CG 3.43Å; S434-R438 PolarHBondContact O-N 3.47Å
435	L	93.7	Very high	94.8	Very high	57 Å²	57	30.2 Å²	30.2	30%	0.298	18%	0.175	S	C	.	.	H	α-helix	trans	-52.6	-47.3	-179.1	-178	65.1	0	0	0	112.4	L229 R438 V439 V469 W470	L229-L435 HydrophobicContact CD2-CD2 4.08Å; L435-R438 PolarHBondContact O-N 3.4Å; L435-V439 HydrophobicContact CD1-CG2 4.45Å; L435-V439 WeakPolarHBondContact O-CG2 3.37Å; L435-V439 PolarHBondContact O-N 3.21Å; L435-V439 VanDerWaalsContact O-N 3.11Å; L435-V469 HydrophobicContact CD1-CG1 3.49Å; L435-V469 VanDerWaalsContact CD1-CG1 3.49Å; L435-W470 HydrophobicContact CD1-CB 4.23Å; L435-W470 HydrophobicContact CD2-CD2 3.98Å; L435-W470 HydrophobicContact CD2-CE3 4.2Å; L435-W470 HydrophobicContact CD2-CG 4.17Å; L435-W470 HydrophobicContact CG-CB 4.49Å; L435-W470 HydrophobicContact CG-CD2 4.22Å; L435-W470 HydrophobicContact CG-CE3 4.02Å; L435-W470 HydrophobicContact CG-CG 4.45Å
436	V	94	Very high	94.7	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-43.3	-179	-174	0	0	0	0	110.9	C219 P221 L229 S434 N440 W470	C219-V436 HydrophobicContact CB-CG1 4.02Å; P221-V436 HydrophobicContact CB-CG1 4.13Å; L229-V436 HydrophobicContact CD1-CG2 3.82Å; S434-V436 VanDerWaalsContact C-N 3.29Å; S434-V436 PolarHBondContact O-N 3.25Å; V436-N440 WeakPolarHBondContact O-CB 3.43Å; V436-N440 PolarHBondContact O-N 3Å; V436-W470 HydrophobicContact CB-CZ3 4.31Å; V436-W470 HydrophobicContact CG1-CZ3 4.46Å; V436-W470 HydrophobicContact CG2-CH2 4.13Å; V436-W470 HydrophobicContact CG2-CZ3 3.81Å
437	V	95.6	Very high	94.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-43.5	179.7	169.6	0	0	0	0	111	P221 N400 Q401 L404 I426 A433 S434 N440 A441	P221-V437 HydrophobicContact CB-CG2 4.11Å; N400-V437 HydrophobicContact CB-CG1 4.3Å; Q401-V437 HydrophobicContact CB-CG2 4.11Å; Q401-V437 HydrophobicContact CG-CG2 4.14Å; L404-V437 HydrophobicContact CB-CG1 4.14Å; L404-V437 HydrophobicContact CD2-CB 4.25Å; L404-V437 HydrophobicContact CD2-CG1 3.87Å; L404-V437 HydrophobicContact CD2-CG2 4.3Å; I426-V437 HydrophobicContact CG2-CG1 3.68Å; A433-V437 HydrophobicContact CB-CB 4.36Å; A433-V437 HydrophobicContact CB-CG1 3.91Å; S434-V437 PolarHBondContact O-N 3.17Å; S434-V437 VanDerWaalsContact O-N 3.14Å; S434-V437 VanDerWaalsContact OG-CG2 3.28Å; S434-V437 WeakPolarHBondContact OG-CG2 3.46Å; S434-V437 PolarHBondContact OG-N 2.9Å; V437-N440 PolarHBondContact O-N 2.83Å; V437-A441 WeakPolarHBondContact O-CB 3.33Å; V437-A441 PolarHBondContact O-N 2.94Å
438	R	96.9	Very high	94	Very high	35 Å²	35	28 Å²	28	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-50.2	178.4	-71.1	179	60.3	-147.4	-15.4	112.2	M428 A433 S434 L435 N440 A441 L442	M428-R438 PolarHBondContact O-NE 3.14Å; A433-R438 HydrophobicContact CB-CG 3.45Å; A433-R438 VanDerWaalsContact CB-CG 3.45Å; A433-R438 WeakPolarHBondContact O-CD 3.36Å; S434-R438 WeakPolarHBondContact O-CG 3.43Å; S434-R438 PolarHBondContact O-N 3.47Å; L435-R438 PolarHBondContact O-N 3.4Å; R438-N440 VanDerWaalsContact C-N 3.35Å; R438-A441 WeakPolarHBondContact O-CB 3.49Å; R438-A441 PolarHBondContact O-N 3.49Å; R438-L442 WeakPolarHBondContact O-CG 3.48Å; R438-L442 PolarHBondContact O-N 3.37Å
439	V	96.9	Very high	93.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-42.6	-178.9	172.1	0	0	0	0	110.6	L435 A441 L442 I443 A466 V469 W470 C473 V476	L435-V439 HydrophobicContact CD1-CG2 4.45Å; L435-V439 WeakPolarHBondContact O-CG2 3.37Å; L435-V439 PolarHBondContact O-N 3.21Å; L435-V439 VanDerWaalsContact O-N 3.11Å; V439-A441 VanDerWaalsContact C-N 3.34Å; V439-A441 PolarHBondContact O-N 2.97Å; V439-L442 PolarHBondContact O-N 3Å; V439-I443 HydrophobicContact CG1-CD1 3.9Å; V439-I443 VanDerWaalsContact O-CG1 3.31Å; V439-I443 WeakPolarHBondContact O-CG1 3.49Å; V439-I443 PolarHBondContact O-N 3.11Å; V439-A466 HydrophobicContact CG1-CB 4.39Å; V439-V469 HydrophobicContact CG2-CB 4.15Å; V439-V469 HydrophobicContact CG2-CG1 3.66Å; V439-W470 HydrophobicContact CB-CE3 4.3Å; V439-W470 HydrophobicContact CG1-CE3 4.42Å; V439-W470 HydrophobicContact CG2-CB 3.63Å; V439-W470 HydrophobicContact CG2-CE3 4.1Å; V439-C473 HydrophobicContact CG1-CB 4.24Å; V439-V476 HydrophobicContact CG1-CG2 3.65Å
440	N	96.4	Very high	93.4	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-39.8	176.9	-168.5	-86.8	0	0	0	112.2	F217 P221 L404 V436 V437 R438 I443 K444	F217-N440 WeakPolarHBondContact CD1-ND2 3.47Å; F217-N440 WeakPolarHBondContact CE1-ND2 3.36Å; P221-N440 HydrophobicContact CB-CB 4.28Å; P221-N440 HydrophobicContact CG-CB 4.27Å; L404-N440 HydrophobicContact CD2-CB 4.08Å; V436-N440 WeakPolarHBondContact O-CB 3.43Å; V436-N440 PolarHBondContact O-N 3Å; V437-N440 PolarHBondContact O-N 2.83Å; R438-N440 VanDerWaalsContact C-N 3.35Å; N440-I443 PolarHBondContact O-N 3.05Å; N440-K444 WeakPolarHBondContact O-CG 3.47Å; N440-K444 PolarHBondContact O-N 3.05Å; N440-K444 VanDerWaalsContact O-N 3.07Å; N440-K444 WeakPolarHBondContact OD1-CE 3.42Å
441	A	97.7	Very high	92.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-48.5	173.7	0	0	0	0	0	111.9	L404 F423 I426 V437 R438 V439 I443 K444 S445	L404-A441 HydrophobicContact CD1-CB 3.86Å; F423-A441 HydrophobicContact CB-CB 4.33Å; F423-A441 WeakPolarHBondContact CB-O 3.39Å; F423-A441 HydrophobicContact CD1-CB 4.4Å; F423-A441 WeakPolarHBondContact O-CB 3.27Å; I426-A441 HydrophobicContact CB-CB 3.83Å; I426-A441 HydrophobicContact CG2-CB 3.59Å; V437-A441 WeakPolarHBondContact O-CB 3.33Å; V437-A441 PolarHBondContact O-N 2.94Å; R438-A441 WeakPolarHBondContact O-CB 3.49Å; R438-A441 PolarHBondContact O-N 3.49Å; V439-A441 VanDerWaalsContact C-N 3.34Å; V439-A441 PolarHBondContact O-N 2.97Å; A441-I443 PolarHBondContact O-N 3.13Å; A441-K444 PolarHBondContact O-N 3.28Å; A441-K444 VanDerWaalsContact O-N 3.15Å; A441-S445 PolarHBondContact O-N 3.43Å
442	L	97.8	Very high	91.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-42.7	178.8	-69.2	168.4	0	0	0	112.1	R438 V439 K444 S445 A446 R465 A466 V469	R438-L442 WeakPolarHBondContact O-CG 3.48Å; R438-L442 PolarHBondContact O-N 3.37Å; V439-L442 PolarHBondContact O-N 3Å; L442-K444 VanDerWaalsContact C-N 3.34Å; L442-K444 PolarHBondContact O-N 2.97Å; L442-S445 PolarHBondContact O-N 3.43Å; L442-A446 WeakPolarHBondContact O-CB 3.27Å; L442-A446 PolarHBondContact O-N 3.16Å; L442-R465 HydrophobicContact CD1-CB 4.03Å; L442-R465 HydrophobicContact CD2-CB 4.22Å; L442-A466 HydrophobicContact CB-CB 3.82Å; L442-A466 HydrophobicContact CD1-CB 4.24Å; L442-V469 HydrophobicContact CD1-CG2 4.42Å
443	I	96.7	Very high	91.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-44.8	174.7	-69.3	166.3	0	0	0	111.1	F217 V439 N440 A441 A446 C447 F463 A466 D475 V476 H479	F217-I443 HydrophobicContact CE1-CG2 4.07Å; V439-I443 HydrophobicContact CG1-CD1 3.9Å; V439-I443 VanDerWaalsContact O-CG1 3.31Å; V439-I443 WeakPolarHBondContact O-CG1 3.49Å; V439-I443 PolarHBondContact O-N 3.11Å; N440-I443 PolarHBondContact O-N 3.05Å; A441-I443 PolarHBondContact O-N 3.13Å; I443-A446 PolarHBondContact O-N 2.99Å; I443-C447 PolarHBondContact O-N 2.85Å; I443-C447 PolarHBondContact O-SG 2.98Å; I443-F463 HydrophobicContact CG1-CE1 4.48Å; I443-F463 HydrophobicContact CG2-CE1 4.38Å; I443-A466 HydrophobicContact CG1-CB 4.37Å; I443-D475 HydrophobicContact CD1-CB 3.75Å; I443-V476 HydrophobicContact CD1-CG2 3.9Å; I443-V476 HydrophobicContact CG1-CG2 4.23Å; I443-H479 HydrophobicContact CG2-CB 3.72Å; I443-H479 VanDerWaalsContact CG2-CD2 3.47Å; I443-H479 WeakPolarHBondContact CG2-CD2 3.41Å
444	K	95.4	Very high	90.4	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-38.6	178.7	-70.6	173.6	-170.9	-90	0	111.9	Y213 F217 L404 T408 F423 N440 A441 L442 C447 L448	Y213-K444 VanDerWaalsContact CE1-NZ 3.34Å; Y213-K444 PolarHBondContact OH-NZ 2.88Å; F217-K444 HydrophobicContact CZ-CG 4.43Å; L404-K444 HydrophobicContact CD1-CD 4.02Å; T408-K444 WeakPolarHBondContact OG1-CE 3.3Å; T408-K444 PolarHBondContact OG1-NZ 3.28Å; T408-K444 VanDerWaalsContact OG1-NZ 3.14Å; F423-K444 HydrophobicContact CD1-CB 4.22Å; F423-K444 HydrophobicContact CD1-CD 4.29Å; F423-K444 HydrophobicContact CD2-CB 3.72Å; F423-K444 HydrophobicContact CE1-CB 4.13Å; F423-K444 HydrophobicContact CE1-CD 3.65Å; F423-K444 HydrophobicContact CE2-CB 3.62Å; F423-K444 HydrophobicContact CE2-CD 4.34Å; F423-K444 HydrophobicContact CG-CB 4.05Å; F423-K444 HydrophobicContact CZ-CB 3.85Å; F423-K444 HydrophobicContact CZ-CD 3.69Å; F423-K444 HydrophobicContact CZ-CG 4.36Å; N440-K444 WeakPolarHBondContact O-CG 3.47Å; N440-K444 PolarHBondContact O-N 3.05Å; N440-K444 VanDerWaalsContact O-N 3.07Å; N440-K444 WeakPolarHBondContact OD1-CE 3.42Å; A441-K444 PolarHBondContact O-N 3.28Å; A441-K444 VanDerWaalsContact O-N 3.15Å; L442-K444 VanDerWaalsContact C-N 3.34Å; L442-K444 PolarHBondContact O-N 2.97Å; K444-C447 PolarHBondContact O-N 3.23Å; K444-L448 PolarHBondContact O-N 3.43Å
445	S	95.4	Very high	90.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-44.4	175.3	-162.2	0	0	0	0	112	Q424 A441 L442 C447 L448 S449 D462	Q424-S445 WeakPolarHBondContact CG-OG 3.37Å; A441-S445 PolarHBondContact O-N 3.43Å; L442-S445 PolarHBondContact O-N 3.43Å; S445-C447 PolarHBondContact O-N 3.37Å; S445-L448 PolarHBondContact O-N 3.49Å; S445-S449 PolarHBondContact O-N 3.27Å; S445-S449 PolarHBondContact O-OG 2.87Å; S445-D462 PolarHBondContact OG-OD2 3.33Å
446	A	94.4	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-47	174.9	0	0	0	0	0	111.6	L442 I443 L448 S449 M450 C459 D462 F463	L442-A446 WeakPolarHBondContact O-CB 3.27Å; L442-A446 PolarHBondContact O-N 3.16Å; I443-A446 PolarHBondContact O-N 2.99Å; A446-L448 VanDerWaalsContact C-N 3.32Å; A446-L448 PolarHBondContact O-N 3.3Å; A446-S449 PolarHBondContact O-N 3.45Å; A446-M450 PolarHBondContact O-N 3.49Å; A446-C459 WeakPolarHBondContact CB-O 3.34Å; A446-C459 PolarHBondContact O-SG 2.68Å; A446-D462 HydrophobicContact CB-CB 3.89Å; A446-F463 HydrophobicContact CB-CD1 4.22Å; A446-F463 HydrophobicContact CB-CD2 3.68Å; A446-F463 HydrophobicContact CB-CE1 4.18Å; A446-F463 HydrophobicContact CB-CE2 3.64Å; A446-F463 HydrophobicContact CB-CG 3.97Å; A446-F463 HydrophobicContact CB-CZ 3.89Å
447	C	91.4	Very high	89.7	Confident	30 Å²	30	27.5 Å²	27.5	20%	0.203	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-41	176.2	-67.9	0	0	0	0	112.7	I443 K444 S445 S451	I443-C447 PolarHBondContact O-N 2.85Å; I443-C447 PolarHBondContact O-SG 2.98Å; K444-C447 PolarHBondContact O-N 3.23Å; S445-C447 PolarHBondContact O-N 3.37Å; C447-S451 WeakPolarHBondContact O-CB 3.18Å; C447-S451 PolarHBondContact O-N 3.28Å; C447-S451 PolarHBondContact O-OG 3.08Å
448	L	87.8	Confident	89.5	Confident	12 Å²	12	28.4 Å²	28.4	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-40.5	176.7	-75.5	-176	0	0	0	112	M1 A411 A419 K420 F423 K444 S445 A446 M450 S451 V452	M1-L448 HydrophobicContact CE-CD2 4.36Å; A411-L448 HydrophobicContact CB-CD1 4.12Å; A411-L448 HydrophobicContact CB-CD2 4.34Å; A419-L448 HydrophobicContact CB-CD1 4.11Å; K420-L448 HydrophobicContact CB-CD1 4Å; F423-L448 HydrophobicContact CD2-CD1 3.9Å; F423-L448 HydrophobicContact CE2-CD1 3.67Å; F423-L448 HydrophobicContact CE2-CG 4.5Å; K444-L448 PolarHBondContact O-N 3.43Å; S445-L448 PolarHBondContact O-N 3.49Å; A446-L448 VanDerWaalsContact C-N 3.32Å; A446-L448 PolarHBondContact O-N 3.3Å; L448-M450 VanDerWaalsContact C-N 3.29Å; L448-M450 PolarHBondContact O-N 3.01Å; L448-S451 WeakPolarHBondContact CA-OG 3.44Å; L448-S451 PolarHBondContact O-N 3.27Å; L448-S451 PolarHBondContact O-OG 3.27Å; L448-V452 HydrophobicContact CD2-CG2 4.14Å; L448-V452 WeakPolarHBondContact O-CB 3.35Å; L448-V452 PolarHBondContact O-N 3.09Å
449	S	88.6	Confident	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-40.3	178.3	-57.7	0	0	0	0	112.3	K420 S445 A446 D453 Q454 D455	K420-S449 VanDerWaalsContact CE-OG 3.22Å; K420-S449 WeakPolarHBondContact CE-OG 3.36Å; K420-S449 PolarHBondContact NZ-OG 3.24Å; S445-S449 PolarHBondContact O-N 3.27Å; S445-S449 PolarHBondContact O-OG 2.87Å; A446-S449 PolarHBondContact O-N 3.45Å; S449-D453 WeakPolarHBondContact O-CB 3.46Å; S449-D453 PolarHBondContact O-N 2.71Å; S449-Q454 PolarHBondContact O-N 3.27Å; S449-Q454 VanDerWaalsContact O-N 3.17Å; S449-D455 PolarHBondContact O-N 2.83Å
450	M	84.1	Confident	89.1	Confident	51 Å²	51	31 Å²	31	25%	0.251	18%	0.18	S	C	.	.	H	α-helix	trans	-71.3	-42.2	176	-175.9	63.1	-176.1	0	0	112.9	A446 L448 Q454 V456 C459 I483	A446-M450 PolarHBondContact O-N 3.49Å; L448-M450 VanDerWaalsContact C-N 3.29Å; L448-M450 PolarHBondContact O-N 3.01Å; M450-Q454 WeakPolarHBondContact O-CA 3.44Å; M450-Q454 PolarHBondContact O-N 3.06Å; M450-V456 HydrophobicContact SD-CG2 4.01Å; M450-C459 HydrophobicContact CB-CB 4.26Å; M450-I483 HydrophobicContact CB-CD1 4.13Å; M450-I483 HydrophobicContact CG-CD1 4.06Å; M450-I483 HydrophobicContact CG-CG2 4.05Å; M450-I483 HydrophobicContact SD-CG2 4.48Å
451	S	75.8	Confident	89.1	Confident	20 Å²	20	38 Å²	38	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-88	-25.4	-167.8	54.2	0	0	0	0	114.9	M1 C447 L448	M1-S451 WeakPolarHBondContact CE-OG 3.41Å; M1-S451 WeakPolarHBondContact SD-CB 3.43Å; M1-S451 PolarHBondContact SD-OG 2.82Å; C447-S451 WeakPolarHBondContact O-CB 3.18Å; C447-S451 PolarHBondContact O-N 3.28Å; C447-S451 PolarHBondContact O-OG 3.08Å; L448-S451 WeakPolarHBondContact CA-OG 3.44Å; L448-S451 PolarHBondContact O-N 3.27Å; L448-S451 PolarHBondContact O-OG 3.27Å
452	V	75.4	Confident	89	Confident	26 Å²	26	38.1 Å²	38.1	16%	0.158	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-51.2	-179.1	-178.8	0	0	0	0	110.1	L448	L448-V452 HydrophobicContact CD2-CG2 4.14Å; L448-V452 WeakPolarHBondContact O-CB 3.35Å; L448-V452 PolarHBondContact O-N 3.09Å
453	D	74.6	Confident	88.9	Confident	59 Å²	59	38.1 Å²	38.1	32%	0.316	21%	0.208	S	C	.	.	S	Bend	trans	-89.3	-15	-173.4	-48.5	-40.9	0	0	0	113	K420 S449 D455	K420-D453 IonicContact NZ-OD2 3.67Å; K420-D453 PolarHBondContact NZ-OD2 2.66Å; S449-D453 WeakPolarHBondContact O-CB 3.46Å; S449-D453 PolarHBondContact O-N 2.71Å; D453-D455 HydrophobicContact CB-CB 3.88Å; D453-D455 PolarHBondContact O-N 2.87Å; D453-D455 VanDerWaalsContact O-N 3.16Å
454	Q	78.8	Confident	89	Confident	117 Å²	117	42.2 Å²	42.2	55%	0.547	23%	0.227	S	C	.	.			trans	52.9	28.9	-167.3	-58	-179.9	-2.4	0	0	111.7	S449 M450 V456 N652	S449-Q454 PolarHBondContact O-N 3.27Å; S449-Q454 VanDerWaalsContact O-N 3.17Å; M450-Q454 WeakPolarHBondContact O-CA 3.44Å; M450-Q454 PolarHBondContact O-N 3.06Å; Q454-V456 PolarHBondContact O-N 3.41Å; Q454-N652 PolarHBondContact NE2-ND2 3.49Å; Q454-N652 PolarHBondContact NE2-OD1 3.27Å
455	D	85.9	Confident	89	Confident	65 Å²	65	44.2 Å²	44.2	35%	0.348	24%	0.235	S	C	.	.			trans	-94.2	92.5	-178.5	-172.2	-15.4	0	0	0	110.1	S449 D453 A457 A458 C459	S449-D455 PolarHBondContact O-N 2.83Å; D453-D455 HydrophobicContact CB-CB 3.88Å; D453-D455 PolarHBondContact O-N 2.87Å; D453-D455 VanDerWaalsContact O-N 3.16Å; D455-A457 VanDerWaalsContact C-N 3.27Å; D455-A457 PolarHBondContact O-N 3.24Å; D455-A457 WeakPolarHBondContact OD1-CB 3.49Å; D455-A457 PolarHBondContact OD1-N 3.47Å; D455-A458 HydrophobicContact CB-CB 4.08Å; D455-A458 VanDerWaalsContact CG-CB 3.46Å; D455-A458 PolarHBondContact OD1-N 3.19Å; D455-A458 WeakPolarHBondContact OD2-CB 3.44Å; D455-C459 WeakPolarHBondContact O-CB 3.4Å; D455-C459 PolarHBondContact O-N 3.36Å; D455-C459 VanDerWaalsContact O-N 3.09Å
456	V	87.7	Confident	89.1	Confident	80 Å²	80	44.2 Å²	44.2	49%	0.485	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-35	177.5	-178.4	0	0	0	0	111.3	M450 Q454 C459 L460	M450-V456 HydrophobicContact SD-CG2 4.01Å; Q454-V456 PolarHBondContact O-N 3.41Å; V456-C459 WeakPolarHBondContact O-CB 3.49Å; V456-C459 PolarHBondContact O-N 3.41Å; V456-L460 HydrophobicContact CG1-CD1 4Å; V456-L460 HydrophobicContact CG1-CG 4.31Å; V456-L460 VanDerWaalsContact O-CG 3.31Å; V456-L460 WeakPolarHBondContact O-CG 3.29Å; V456-L460 PolarHBondContact O-N 2.85Å
457	A	90.2	Very high	89.3	Confident	72 Å²	72	46.5 Å²	46.5	60%	0.595	25%	0.245	S	C	*	.	H	α-helix	trans	-70.3	-46	-176.6	0	0	0	0	0	111.3	D455 C459 L460 Y461	D455-A457 VanDerWaalsContact C-N 3.27Å; D455-A457 PolarHBondContact O-N 3.24Å; D455-A457 WeakPolarHBondContact OD1-CB 3.49Å; D455-A457 PolarHBondContact OD1-N 3.47Å; A457-C459 VanDerWaalsContact C-N 3.33Å; A457-C459 PolarHBondContact O-N 3Å; A457-L460 PolarHBondContact O-N 3.39Å; A457-Y461 WeakPolarHBondContact O-CB 2.9Å; A457-Y461 PolarHBondContact O-N 3.2Å
458	A	92	Very high	89.5	Confident	20 Å²	20	50.4 Å²	50.4	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-41.2	174.2	0	0	0	0	0	111.8	D455 Y461 D462	D455-A458 HydrophobicContact CB-CB 4.08Å; D455-A458 VanDerWaalsContact CG-CB 3.46Å; D455-A458 PolarHBondContact OD1-N 3.19Å; D455-A458 WeakPolarHBondContact OD2-CB 3.44Å; A458-Y461 PolarHBondContact O-N 3.36Å; A458-D462 PolarHBondContact O-N 2.92Å
459	C	92.5	Very high	89.8	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-56.7	-52.7	175.3	178.1	0	0	0	0	112.1	A446 M450 D455 V456 A457 Y461 D462 F463	A446-C459 WeakPolarHBondContact CB-O 3.34Å; A446-C459 PolarHBondContact O-SG 2.68Å; M450-C459 HydrophobicContact CB-CB 4.26Å; D455-C459 WeakPolarHBondContact O-CB 3.4Å; D455-C459 PolarHBondContact O-N 3.36Å; D455-C459 VanDerWaalsContact O-N 3.09Å; V456-C459 WeakPolarHBondContact O-CB 3.49Å; V456-C459 PolarHBondContact O-N 3.41Å; A457-C459 VanDerWaalsContact C-N 3.33Å; A457-C459 PolarHBondContact O-N 3Å; C459-Y461 VanDerWaalsContact C-N 3.32Å; C459-Y461 PolarHBondContact O-N 2.9Å; C459-D462 PolarHBondContact O-N 3.24Å; C459-F463 VanDerWaalsContact O-CD2 3.29Å; C459-F463 WeakPolarHBondContact O-CD2 3.46Å; C459-F463 PolarHBondContact O-N 3.15Å; C459-F463 VanDerWaalsContact O-N 3.13Å; C459-F463 VanDerWaalsContact SG-CE2 3.57Å
460	L	93.4	Very high	90.2	Very high	88 Å²	88	53.8 Å²	53.8	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-37.2	179.6	-69	175.6	0	0	0	112.3	V456 A457 F463 Q464	V456-L460 HydrophobicContact CG1-CD1 4Å; V456-L460 HydrophobicContact CG1-CG 4.31Å; V456-L460 VanDerWaalsContact O-CG 3.31Å; V456-L460 WeakPolarHBondContact O-CG 3.29Å; V456-L460 PolarHBondContact O-N 2.85Å; A457-L460 PolarHBondContact O-N 3.39Å; L460-F463 PolarHBondContact O-N 3.48Å; L460-Q464 WeakPolarHBondContact O-CB 3.48Å; L460-Q464 PolarHBondContact O-N 3Å
461	Y	94.9	Very high	90.8	Very high	150 Å²	150	54.3 Å²	54.3	59%	0.588	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-47.9	177.3	177.3	-105.8	0	0	0	112.2	A457 A458 C459 Q464 R465	A457-Y461 WeakPolarHBondContact O-CB 2.9Å; A457-Y461 PolarHBondContact O-N 3.2Å; A458-Y461 PolarHBondContact O-N 3.36Å; C459-Y461 VanDerWaalsContact C-N 3.32Å; C459-Y461 PolarHBondContact O-N 2.9Å; Y461-Q464 WeakPolarHBondContact O-CB 3.42Å; Y461-Q464 PolarHBondContact O-N 3.35Å; Y461-R465 HydrophobicContact CE1-CG 4.29Å; Y461-R465 WeakPolarHBondContact O-CG 3.47Å; Y461-R465 PolarHBondContact O-N 2.95Å
462	D	95.9	Very high	91.7	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-70.1	-33.5	179.7	-80	-29.5	0	0	0	112.5	S445 A446 A458 C459 R465 A466	S445-D462 PolarHBondContact OG-OD2 3.33Å; A446-D462 HydrophobicContact CB-CB 3.89Å; A458-D462 PolarHBondContact O-N 2.92Å; C459-D462 PolarHBondContact O-N 3.24Å; D462-R465 PolarHBondContact O-N 3.23Å; D462-R465 IonicContact OD1-CZ 3.54Å; D462-R465 IonicContact OD1-NH1 2.7Å; D462-R465 PolarHBondContact OD1-NH1 3.22Å; D462-A466 WeakPolarHBondContact O-CB 3.44Å; D462-A466 PolarHBondContact O-N 3.4Å
463	F	97.2	Very high	92.7	Very high	1 Å²	1	58 Å²	58	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-41.3	169.3	-82.6	-56.8	0	0	0	112.6	I443 A446 C459 L460 R465 A466 Q467 V476 H479 R480 I483	I443-F463 HydrophobicContact CG1-CE1 4.48Å; I443-F463 HydrophobicContact CG2-CE1 4.38Å; A446-F463 HydrophobicContact CB-CD1 4.22Å; A446-F463 HydrophobicContact CB-CD2 3.68Å; A446-F463 HydrophobicContact CB-CE1 4.18Å; A446-F463 HydrophobicContact CB-CE2 3.64Å; A446-F463 HydrophobicContact CB-CG 3.97Å; A446-F463 HydrophobicContact CB-CZ 3.89Å; C459-F463 VanDerWaalsContact O-CD2 3.29Å; C459-F463 WeakPolarHBondContact O-CD2 3.46Å; C459-F463 PolarHBondContact O-N 3.15Å; C459-F463 VanDerWaalsContact O-N 3.13Å; C459-F463 VanDerWaalsContact SG-CE2 3.57Å; L460-F463 PolarHBondContact O-N 3.48Å; F463-R465 VanDerWaalsContact C-N 3.31Å; F463-R465 PolarHBondContact O-N 2.91Å; F463-A466 PolarHBondContact O-N 3.26Å; F463-Q467 WeakPolarHBondContact O-CB 3.46Å; F463-Q467 PolarHBondContact O-N 2.92Å; F463-V476 HydrophobicContact CD1-CG1 4.45Å; F463-H479 HydrophobicContact CE1-CB 3.94Å; F463-H479 HydrophobicContact CZ-CB 4.08Å; F463-R480 HydrophobicContact CB-CG 4.45Å; F463-R480 HydrophobicContact CD1-CB 3.88Å; F463-R480 HydrophobicContact CD1-CG 4.45Å; F463-R480 HydrophobicContact CD2-CB 4.13Å; F463-R480 HydrophobicContact CD2-CG 3.96Å; F463-R480 HydrophobicContact CE1-CB 3.93Å; F463-R480 HydrophobicContact CE2-CB 4.17Å; F463-R480 HydrophobicContact CE2-CG 4.29Å; F463-R480 HydrophobicContact CG-CB 4Å; F463-R480 HydrophobicContact CG-CG 4.05Å; F463-R480 HydrophobicContact CZ-CB 4.09Å; F463-I483 HydrophobicContact CE2-CB 4.46Å; F463-I483 HydrophobicContact CE2-CG1 4.05Å; F463-I483 HydrophobicContact CZ-CG1 4.19Å
464	Q	97.2	Very high	93.8	Very high	86 Å²	86	55.7 Å²	55.7	40%	0.402	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-40.5	176.3	-173.7	61.2	49.3	0	0	111.2	L460 Y461 Q467 N468	L460-Q464 WeakPolarHBondContact O-CB 3.48Å; L460-Q464 PolarHBondContact O-N 3Å; Y461-Q464 WeakPolarHBondContact O-CB 3.42Å; Y461-Q464 PolarHBondContact O-N 3.35Å; Q464-Q467 PolarHBondContact O-N 2.86Å; Q464-N468 PolarHBondContact NE2-OD1 3.17Å; Q464-N468 WeakPolarHBondContact O-CB 3.42Å; Q464-N468 PolarHBondContact O-N 3.29Å; Q464-N468 PolarHBondContact O-OD1 2.94Å
465	R	96.9	Very high	94.6	Very high	47 Å²	47	50.3 Å²	50.3	18%	0.177	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-45.6	173.1	-71.7	175.3	63	-160.3	7.8	111.6	G427 M428 L442 Y461 D462 F463 Q467 N468 V469	G427-R465 PolarHBondContact O-NH2 2.92Å; M428-R465 PolarHBondContact SD-NH2 2.94Å; L442-R465 HydrophobicContact CD1-CB 4.03Å; L442-R465 HydrophobicContact CD2-CB 4.22Å; Y461-R465 HydrophobicContact CE1-CG 4.29Å; Y461-R465 WeakPolarHBondContact O-CG 3.47Å; Y461-R465 PolarHBondContact O-N 2.95Å; D462-R465 PolarHBondContact O-N 3.23Å; D462-R465 IonicContact OD1-CZ 3.54Å; D462-R465 IonicContact OD1-NH1 2.7Å; D462-R465 PolarHBondContact OD1-NH1 3.22Å; F463-R465 VanDerWaalsContact C-N 3.31Å; F463-R465 PolarHBondContact O-N 2.91Å; R465-Q467 VanDerWaalsContact C-N 3.33Å; R465-Q467 PolarHBondContact O-N 3.4Å; R465-N468 PolarHBondContact O-N 2.86Å; R465-V469 VanDerWaalsContact O-CG2 3.28Å; R465-V469 WeakPolarHBondContact O-CG2 3.18Å; R465-V469 PolarHBondContact O-N 3.32Å
466	A	97.2	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-44.2	178.4	0	0	0	0	0	111.5	V439 L442 I443 D462 F463 V469 W470 V476	V439-A466 HydrophobicContact CG1-CB 4.39Å; L442-A466 HydrophobicContact CB-CB 3.82Å; L442-A466 HydrophobicContact CD1-CB 4.24Å; I443-A466 HydrophobicContact CG1-CB 4.37Å; D462-A466 WeakPolarHBondContact O-CB 3.44Å; D462-A466 PolarHBondContact O-N 3.4Å; F463-A466 PolarHBondContact O-N 3.26Å; A466-V469 PolarHBondContact O-N 3.03Å; A466-W470 PolarHBondContact O-N 2.84Å; A466-V476 HydrophobicContact CB-CG1 4.28Å; A466-V476 HydrophobicContact CB-CG2 3.83Å
467	Q	97.2	Very high	95.6	Very high	47 Å²	47	44.3 Å²	44.3	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-43.7	175.4	-175.6	-179.9	-15.1	0	0	112.1	F463 Q464 R465 V469 W470 P471 V476	F463-Q467 WeakPolarHBondContact O-CB 3.46Å; F463-Q467 PolarHBondContact O-N 2.92Å; Q464-Q467 PolarHBondContact O-N 2.86Å; R465-Q467 VanDerWaalsContact C-N 3.33Å; R465-Q467 PolarHBondContact O-N 3.4Å; Q467-V469 VanDerWaalsContact C-N 3.28Å; Q467-V469 PolarHBondContact O-N 3.29Å; Q467-W470 CarbonylContact O-C 3.34Å; Q467-W470 VanDerWaalsContact O-C 3.26Å; Q467-W470 PolarHBondContact O-N 3.47Å; Q467-P471 VanDerWaalsContact O-CA 3.25Å; Q467-P471 WeakPolarHBondContact O-CA 3.24Å; Q467-P471 VanDerWaalsContact O-CD 3.25Å; Q467-P471 WeakPolarHBondContact O-CD 3.48Å; Q467-P471 VanDerWaalsContact O-CG 3.28Å; Q467-P471 WeakPolarHBondContact O-CG 3.45Å; Q467-V476 HydrophobicContact CB-CG1 4.11Å
468	N	96.8	Very high	95.9	Very high	112 Å²	112	40.9 Å²	40.9	60%	0.599	20%	0.2	S	C	*	.	H	α-helix	trans	-64	-35.3	178.7	-69.9	-9.2	0	0	0	112.1	Q464 R465	Q464-N468 PolarHBondContact NE2-OD1 3.17Å; Q464-N468 WeakPolarHBondContact O-CB 3.42Å; Q464-N468 PolarHBondContact O-N 3.29Å; Q464-N468 PolarHBondContact O-OD1 2.94Å; R465-N468 PolarHBondContact O-N 2.86Å
469	V	94	Very high	96.1	Very high	40 Å²	40	40.6 Å²	40.6	24%	0.242	20%	0.195	C	C	.	.	H	α-helix	trans	-73.5	-41.4	178.4	171.5	0	0	0	0	111.3	L435 V439 L442 R465 A466 Q467	L435-V469 HydrophobicContact CD1-CG1 3.49Å; L435-V469 VanDerWaalsContact CD1-CG1 3.49Å; V439-V469 HydrophobicContact CG2-CB 4.15Å; V439-V469 HydrophobicContact CG2-CG1 3.66Å; L442-V469 HydrophobicContact CD1-CG2 4.42Å; R465-V469 VanDerWaalsContact O-CG2 3.28Å; R465-V469 WeakPolarHBondContact O-CG2 3.18Å; R465-V469 PolarHBondContact O-N 3.32Å; A466-V469 PolarHBondContact O-N 3.03Å; Q467-V469 VanDerWaalsContact C-N 3.28Å; Q467-V469 PolarHBondContact O-N 3.29Å
470	W	96.3	Very high	96.2	Very high	43 Å²	43	41.9 Å²	41.9	16%	0.163	20%	0.2	C	C	.	.			trans	-143.6	87.7	178.4	-168.7	0.2	0	0	0	111.9	C219 L435 V436 V439 A466 Q467 E472 C473	C219-W470 HydrophobicContact CB-CH2 4.38Å; C219-W470 HydrophobicContact CB-CZ3 4.46Å; L435-W470 HydrophobicContact CD1-CB 4.23Å; L435-W470 HydrophobicContact CD2-CD2 3.98Å; L435-W470 HydrophobicContact CD2-CE3 4.2Å; L435-W470 HydrophobicContact CD2-CG 4.17Å; L435-W470 HydrophobicContact CG-CB 4.49Å; L435-W470 HydrophobicContact CG-CD2 4.22Å; L435-W470 HydrophobicContact CG-CE3 4.02Å; L435-W470 HydrophobicContact CG-CG 4.45Å; V436-W470 HydrophobicContact CB-CZ3 4.31Å; V436-W470 HydrophobicContact CG1-CZ3 4.46Å; V436-W470 HydrophobicContact CG2-CH2 4.13Å; V436-W470 HydrophobicContact CG2-CZ3 3.81Å; V439-W470 HydrophobicContact CB-CE3 4.3Å; V439-W470 HydrophobicContact CG1-CE3 4.42Å; V439-W470 HydrophobicContact CG2-CB 3.63Å; V439-W470 HydrophobicContact CG2-CE3 4.1Å; A466-W470 PolarHBondContact O-N 2.84Å; Q467-W470 CarbonylContact O-C 3.34Å; Q467-W470 VanDerWaalsContact O-C 3.26Å; Q467-W470 PolarHBondContact O-N 3.47Å; W470-E472 PolarHBondContact O-N 2.89Å; W470-C473 HydrophobicContact CB-CB 3.99Å; W470-C473 HydrophobicContact CD2-CB 3.55Å; W470-C473 HydrophobicContact CE3-CB 3.82Å; W470-C473 HydrophobicContact CG-CB 3.63Å; W470-C473 HydrophobicContact CZ3-CB 4.48Å; W470-C473 WeakPolarHBondContact O-CB 3.38Å; W470-C473 PolarHBondContact O-N 3.44Å
471	P	97.1	Very high	96.3	Very high	62 Å²	62	37.7 Å²	37.7	40%	0.403	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.8	-176.8	-24.9	33.4	0	0	0	114.5	Q467 Y477	Q467-P471 VanDerWaalsContact O-CA 3.25Å; Q467-P471 WeakPolarHBondContact O-CA 3.24Å; Q467-P471 VanDerWaalsContact O-CD 3.25Å; Q467-P471 WeakPolarHBondContact O-CD 3.48Å; Q467-P471 VanDerWaalsContact O-CG 3.28Å; Q467-P471 WeakPolarHBondContact O-CG 3.45Å; P471-Y477 WeakPolarHBondContact O-CE2 3.44Å; P471-Y477 PolarHBondContact O-OH 3.34Å
472	E	95.6	Very high	96.2	Very high	123 Å²	123	31.2 Å²	31.2	58%	0.575	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	13.1	-178.6	-58.7	-64.5	123	0	0	112.8	W470 P474 L503	W470-E472 PolarHBondContact O-N 2.89Å; E472-P474 VanDerWaalsContact O-CD 3.27Å; E472-P474 WeakPolarHBondContact O-CD 3.43Å; E472-L503 HydrophobicContact CB-CD2 4.23Å; E472-L503 WeakPolarHBondContact OE2-CD2 3.2Å
473	C	96	Very high	95.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	16%	0.158	C	C	.	.			trans	-81.5	112.3	178	-171.3	0	0	0	0	111.1	V439 W470 D475 V476 Y477	V439-C473 HydrophobicContact CG1-CB 4.24Å; W470-C473 HydrophobicContact CB-CB 3.99Å; W470-C473 HydrophobicContact CD2-CB 3.55Å; W470-C473 HydrophobicContact CE3-CB 3.82Å; W470-C473 HydrophobicContact CG-CB 3.63Å; W470-C473 HydrophobicContact CZ3-CB 4.48Å; W470-C473 WeakPolarHBondContact O-CB 3.38Å; W470-C473 PolarHBondContact O-N 3.44Å; C473-D475 PolarHBondContact O-N 2.92Å; C473-V476 HydrophobicContact CB-CG2 3.87Å; C473-V476 PolarHBondContact O-N 3Å; C473-Y477 WeakPolarHBondContact O-CD2 3.28Å; C473-Y477 WeakPolarHBondContact O-CE2 3.49Å
474	P	96.8	Very high	95.6	Very high	10 Å²	10	32.8 Å²	32.8	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-26.2	-179.8	26.4	-35.6	0	0	0	113.4	A218 E472 V476 Y477 L478 L503 K504 F507	A218-P474 HydrophobicContact CB-CG 3.93Å; E472-P474 VanDerWaalsContact O-CD 3.27Å; E472-P474 WeakPolarHBondContact O-CD 3.43Å; P474-V476 VanDerWaalsContact C-N 3.34Å; P474-V476 PolarHBondContact O-N 3.28Å; P474-Y477 PolarHBondContact O-N 3.08Å; P474-L478 PolarHBondContact O-N 3.42Å; P474-L503 HydrophobicContact CB-CB 4.18Å; P474-K504 HydrophobicContact CB-CB 3.98Å; P474-K504 HydrophobicContact CG-CB 3.98Å; P474-K504 HydrophobicContact CG-CD 4.18Å; P474-F507 HydrophobicContact CB-CD1 4.23Å; P474-F507 HydrophobicContact CB-CE1 4.49Å
475	D	95.9	Very high	95.2	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-34.4	-179.1	-69.4	-38.5	0	0	0	112.7	F217 A218 C219 I443 C473 Y477 L478 H479	F217-D475 WeakPolarHBondContact CA-OD1 3.49Å; F217-D475 HydrophobicContact CD1-CB 4.34Å; A218-D475 WeakPolarHBondContact CB-OD1 3.38Å; A218-D475 PolarHBondContact N-OD1 3.43Å; A218-D475 PolarHBondContact N-OD2 3.09Å; C219-D475 WeakPolarHBondContact CB-OD2 3.48Å; C219-D475 PolarHBondContact N-OD2 3.48Å; I443-D475 HydrophobicContact CD1-CB 3.75Å; C473-D475 PolarHBondContact O-N 2.92Å; D475-Y477 VanDerWaalsContact C-N 3.34Å; D475-Y477 PolarHBondContact O-N 3.21Å; D475-L478 PolarHBondContact O-N 3.14Å; D475-H479 PolarHBondContact O-CD2 3.34Å; D475-H479 PolarHBondContact O-N 3.12Å
476	V	97.2	Very high	94.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-49.6	177.1	176.2	0	0	0	0	109.8	V439 I443 F463 A466 Q467 C473 P474 R480	V439-V476 HydrophobicContact CG1-CG2 3.65Å; I443-V476 HydrophobicContact CD1-CG2 3.9Å; I443-V476 HydrophobicContact CG1-CG2 4.23Å; F463-V476 HydrophobicContact CD1-CG1 4.45Å; A466-V476 HydrophobicContact CB-CG1 4.28Å; A466-V476 HydrophobicContact CB-CG2 3.83Å; Q467-V476 HydrophobicContact CB-CG1 4.11Å; C473-V476 HydrophobicContact CB-CG2 3.87Å; C473-V476 PolarHBondContact O-N 3Å; P474-V476 VanDerWaalsContact C-N 3.34Å; P474-V476 PolarHBondContact O-N 3.28Å; V476-R480 VanDerWaalsContact O-CB 3.27Å; V476-R480 WeakPolarHBondContact O-CB 3.46Å; V476-R480 PolarHBondContact O-N 3.01Å
477	Y	98.1	Very high	94	Very high	19 Å²	19	30.5 Å²	30.5	8%	0.075	16%	0.162	C	C	.	.	H	α-helix	trans	-73.4	-37.4	-178.5	-55.8	-83.4	0	0	0	112.2	P471 C473 P474 D475 H479 G481 D496 T499 L503	P471-Y477 WeakPolarHBondContact O-CE2 3.44Å; P471-Y477 PolarHBondContact O-OH 3.34Å; C473-Y477 WeakPolarHBondContact O-CD2 3.28Å; C473-Y477 WeakPolarHBondContact O-CE2 3.49Å; P474-Y477 PolarHBondContact O-N 3.08Å; D475-Y477 VanDerWaalsContact C-N 3.34Å; D475-Y477 PolarHBondContact O-N 3.21Å; Y477-H479 PolarHBondContact O-N 2.96Å; Y477-G481 PolarHBondContact O-N 3.39Å; Y477-D496 WeakPolarHBondContact CB-O 3.4Å; Y477-D496 WeakPolarHBondContact O-CB 3.33Å; Y477-T499 HydrophobicContact CD1-CG2 3.65Å; Y477-T499 HydrophobicContact CD2-CG2 3.95Å; Y477-T499 HydrophobicContact CE1-CG2 3.63Å; Y477-T499 HydrophobicContact CE2-CG2 3.94Å; Y477-T499 HydrophobicContact CG-CG2 3.81Å; Y477-L503 HydrophobicContact CD2-CD1 3.56Å; Y477-L503 HydrophobicContact CE2-CD1 3.4Å; Y477-L503 VanDerWaalsContact CE2-CD1 3.4Å
478	L	96.7	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-53.7	175	172.9	61.7	0	0	0	110.8	P474 D475 G481 Q482 L497 A500 F507 V509 A510 Q513	P474-L478 PolarHBondContact O-N 3.42Å; D475-L478 PolarHBondContact O-N 3.14Å; L478-G481 PolarHBondContact O-N 3.15Å; L478-Q482 HydrophobicContact CD1-CG 4.26Å; L478-Q482 WeakPolarHBondContact O-CB 3.18Å; L478-Q482 VanDerWaalsContact O-CG 3.27Å; L478-Q482 WeakPolarHBondContact O-CG 3.2Å; L478-Q482 PolarHBondContact O-N 3.21Å; L478-L497 HydrophobicContact CD1-CD2 3.78Å; L478-A500 HydrophobicContact CB-CB 4.38Å; L478-F507 HydrophobicContact CB-CE1 4.14Å; L478-F507 HydrophobicContact CD2-CD1 4.48Å; L478-F507 HydrophobicContact CD2-CE1 3.44Å; L478-F507 VanDerWaalsContact CD2-CE1 3.44Å; L478-F507 HydrophobicContact CD2-CE2 4.2Å; L478-F507 HydrophobicContact CD2-CZ 3.26Å; L478-F507 HydrophobicContact CG-CE1 4.36Å; L478-V509 HydrophobicContact CD1-CG1 4.48Å; L478-V509 HydrophobicContact CD2-CB 4.48Å; L478-V509 HydrophobicContact CD2-CG1 4.01Å; L478-A510 HydrophobicContact CD1-CB 4.1Å; L478-Q513 HydrophobicContact CD1-CB 4.31Å; L478-Q513 HydrophobicContact CD1-CG 4.2Å
479	H	94.7	Very high	93.3	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-35.1	-174.3	-71.5	-60.6	0	0	0	112.4	F217 I443 F463 D475 Y477 Q482 I483	F217-H479 AromaticContact CD1-NE2 3.5Å; F217-H479 AromaticContact CE1-CD2 3.73Å; F217-H479 AromaticContact CE1-NE2 3.24Å; F217-H479 WeakPolarHBondContact CE1-NE2 3.36Å; F217-H479 AromaticContact CZ-NE2 3.62Å; I443-H479 HydrophobicContact CG2-CB 3.72Å; I443-H479 VanDerWaalsContact CG2-CD2 3.47Å; I443-H479 WeakPolarHBondContact CG2-CD2 3.41Å; F463-H479 HydrophobicContact CE1-CB 3.94Å; F463-H479 HydrophobicContact CZ-CB 4.08Å; D475-H479 PolarHBondContact O-CD2 3.34Å; D475-H479 PolarHBondContact O-N 3.12Å; Y477-H479 PolarHBondContact O-N 2.96Å; H479-Q482 PolarHBondContact ND1-OE1 3.07Å; H479-Q482 WeakPolarHBondContact O-CB 3.26Å; H479-Q482 PolarHBondContact O-N 2.88Å; H479-I483 WeakPolarHBondContact O-CG1 3.49Å; H479-I483 PolarHBondContact O-N 3.46Å
480	R	95.6	Very high	93.4	Very high	30 Å²	30	30.8 Å²	30.8	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-44.1	172.6	-169.4	171.8	64.1	-161	-1.7	111.7	F463 V476 Q482 I483 N484 D496	F463-R480 HydrophobicContact CB-CG 4.45Å; F463-R480 HydrophobicContact CD1-CB 3.88Å; F463-R480 HydrophobicContact CD1-CG 4.45Å; F463-R480 HydrophobicContact CD2-CB 4.13Å; F463-R480 HydrophobicContact CD2-CG 3.96Å; F463-R480 HydrophobicContact CE1-CB 3.93Å; F463-R480 HydrophobicContact CE2-CB 4.17Å; F463-R480 HydrophobicContact CE2-CG 4.29Å; F463-R480 HydrophobicContact CG-CB 4Å; F463-R480 HydrophobicContact CG-CG 4.05Å; F463-R480 HydrophobicContact CZ-CB 4.09Å; V476-R480 VanDerWaalsContact O-CB 3.27Å; V476-R480 WeakPolarHBondContact O-CB 3.46Å; V476-R480 PolarHBondContact O-N 3.01Å; R480-Q482 VanDerWaalsContact C-N 3.29Å; R480-Q482 PolarHBondContact O-N 2.84Å; R480-I483 PolarHBondContact O-N 3.37Å; R480-I483 VanDerWaalsContact O-N 3.13Å; R480-N484 PolarHBondContact O-N 2.87Å; R480-N484 PolarHBondContact O-ND2 3.23Å; R480-D496 VanDerWaalsContact CG-OD2 3.26Å; R480-D496 WeakPolarHBondContact CG-OD2 3.31Å; R480-D496 IonicContact CZ-OD1 3.39Å; R480-D496 IonicContact CZ-OD2 2.89Å; R480-D496 VanDerWaalsContact NE-CG 3.35Å; R480-D496 IonicContact NE-OD1 3.74Å; R480-D496 PolarHBondContact NE-OD1 3.25Å; R480-D496 IonicContact NE-OD2 3.81Å; R480-D496 PolarHBondContact NE-OD2 2.88Å; R480-D496 IonicContact NH2-OD1 2.86Å; R480-D496 PolarHBondContact NH2-OD1 2.89Å; R480-D496 IonicContact NH2-OD2 2.92Å
481	G	94.9	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-37.6	176	0	0	0	0	0	112.7	Y477 L478 N484 L485 A493	Y477-G481 PolarHBondContact O-N 3.39Å; L478-G481 PolarHBondContact O-N 3.15Å; G481-N484 PolarHBondContact O-N 2.86Å; G481-L485 WeakPolarHBondContact O-CB 3.19Å; G481-L485 PolarHBondContact O-N 3.17Å; G481-A493 WeakPolarHBondContact O-CB 3.48Å
482	Q	92.2	Very high	93.3	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-44.3	171.8	-86.2	-176.5	-22.7	0	0	113	L3 L478 H479 R480 L485 L486 Q513	L3-Q482 HydrophobicContact CD1-CB 3.37Å; L3-Q482 HydrophobicContact CD1-CG 3.52Å; L3-Q482 HydrophobicContact CD2-CB 4.38Å; L3-Q482 HydrophobicContact CD2-CG 4.08Å; L3-Q482 HydrophobicContact CG-CG 4.33Å; L478-Q482 HydrophobicContact CD1-CG 4.26Å; L478-Q482 WeakPolarHBondContact O-CB 3.18Å; L478-Q482 VanDerWaalsContact O-CG 3.27Å; L478-Q482 WeakPolarHBondContact O-CG 3.2Å; L478-Q482 PolarHBondContact O-N 3.21Å; H479-Q482 PolarHBondContact ND1-OE1 3.07Å; H479-Q482 WeakPolarHBondContact O-CB 3.26Å; H479-Q482 PolarHBondContact O-N 2.88Å; R480-Q482 VanDerWaalsContact C-N 3.29Å; R480-Q482 PolarHBondContact O-N 2.84Å; Q482-L485 PolarHBondContact O-N 3.46Å; Q482-L486 WeakPolarHBondContact O-CG 3.48Å; Q482-L486 PolarHBondContact O-N 2.92Å; Q482-Q513 HydrophobicContact CG-CG 4.49Å
483	I	89.4	Confident	93.4	Very high	24 Å²	24	30.4 Å²	30.4	12%	0.123	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-43.8	176	-66.5	-67.4	0	0	0	111	M450 F463 H479 R480 L485 L486 A487	M450-I483 HydrophobicContact CB-CD1 4.13Å; M450-I483 HydrophobicContact CG-CD1 4.06Å; M450-I483 HydrophobicContact CG-CG2 4.05Å; M450-I483 HydrophobicContact SD-CG2 4.48Å; F463-I483 HydrophobicContact CE2-CB 4.46Å; F463-I483 HydrophobicContact CE2-CG1 4.05Å; F463-I483 HydrophobicContact CZ-CG1 4.19Å; H479-I483 WeakPolarHBondContact O-CG1 3.49Å; H479-I483 PolarHBondContact O-N 3.46Å; R480-I483 PolarHBondContact O-N 3.37Å; R480-I483 VanDerWaalsContact O-N 3.13Å; I483-L485 VanDerWaalsContact C-N 3.29Å; I483-L485 PolarHBondContact O-N 3.49Å; I483-L486 WeakPolarHBondContact O-CB 3.38Å; I483-L486 PolarHBondContact O-N 3.28Å; I483-L486 VanDerWaalsContact O-N 3.13Å; I483-A487 PolarHBondContact O-N 3.45Å
484	N	91.1	Very high	93.5	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-39.3	175.9	-70.3	-21.2	0	0	0	111.6	R480 G481 L486 A487 D488 Q489 E492 A493 D496	R480-N484 PolarHBondContact O-N 2.87Å; R480-N484 PolarHBondContact O-ND2 3.23Å; G481-N484 PolarHBondContact O-N 2.86Å; N484-L486 VanDerWaalsContact C-N 3.29Å; N484-L486 PolarHBondContact O-N 3.34Å; N484-A487 CarbonylContact O-C 3.25Å; N484-A487 PolarHBondContact O-N 2.88Å; N484-A487 VanDerWaalsContact O-N 3.15Å; N484-D488 PolarHBondContact O-N 3.47Å; N484-Q489 HydrophobicContact CB-CB 4.16Å; N484-Q489 WeakPolarHBondContact O-CB 3.48Å; N484-Q489 PolarHBondContact O-N 3.03Å; N484-Q489 PolarHBondContact OD1-OE1 2.99Å; N484-E492 HydrophobicContact CB-CB 4.28Å; N484-A493 HydrophobicContact CB-CB 3.83Å; N484-D496 PolarHBondContact ND2-OD2 3.17Å
485	L	88.8	Confident	93.5	Very high	8 Å²	8	37 Å²	37	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-37.7	176.5	-175.4	64.6	0	0	0	112	L3 G481 Q482 I483 A487 D488 L490 A493 Y516 T517	L3-L485 HydrophobicContact CD2-CD2 3.76Å; G481-L485 WeakPolarHBondContact O-CB 3.19Å; G481-L485 PolarHBondContact O-N 3.17Å; Q482-L485 PolarHBondContact O-N 3.46Å; I483-L485 VanDerWaalsContact C-N 3.29Å; I483-L485 PolarHBondContact O-N 3.49Å; L485-A487 VanDerWaalsContact C-N 3.34Å; L485-D488 PolarHBondContact O-N 3.33Å; L485-L490 HydrophobicContact CD1-CD2 3.79Å; L485-A493 HydrophobicContact CB-CB 4.02Å; L485-Y516 HydrophobicContact CD2-CD1 3.78Å; L485-Y516 HydrophobicContact CD2-CE1 3.97Å; L485-T517 HydrophobicContact CD1-CG2 4.26Å
486	L	82.9	Confident	93.6	Very high	27 Å²	27	37.2 Å²	37.2	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-71	-30.1	175.9	-66.1	168.7	0	0	0	112.6	L3 L6 V7 N10 Q482 I483 N484 D488	L3-L486 HydrophobicContact CD1-CD1 3.77Å; L3-L486 HydrophobicContact CD1-CG 4.2Å; L3-L486 HydrophobicContact CD2-CD2 4.48Å; L3-L486 HydrophobicContact CG-CD1 4.27Å; L3-L486 HydrophobicContact CG-CD2 4.2Å; L3-L486 HydrophobicContact CG-CG 4.3Å; L6-L486 HydrophobicContact CB-CD1 4.04Å; L6-L486 HydrophobicContact CB-CD2 3.65Å; L6-L486 HydrophobicContact CB-CG 4.45Å; L6-L486 HydrophobicContact CD1-CD1 4.33Å; L6-L486 HydrophobicContact CD2-CB 4.18Å; L6-L486 HydrophobicContact CD2-CD1 3.78Å; L6-L486 HydrophobicContact CD2-CD2 3.6Å; L6-L486 HydrophobicContact CD2-CG 4.01Å; L6-L486 HydrophobicContact CG-CD1 4.25Å; L6-L486 HydrophobicContact CG-CD2 4.22Å; V7-L486 HydrophobicContact CG2-CD2 3.98Å; N10-L486 PolarHBondContact ND2-O 2.99Å; Q482-L486 WeakPolarHBondContact O-CG 3.48Å; Q482-L486 PolarHBondContact O-N 2.92Å; I483-L486 WeakPolarHBondContact O-CB 3.38Å; I483-L486 PolarHBondContact O-N 3.28Å; I483-L486 VanDerWaalsContact O-N 3.13Å; N484-L486 VanDerWaalsContact C-N 3.29Å; N484-L486 PolarHBondContact O-N 3.34Å; L486-D488 PolarHBondContact O-N 2.95Å
487	A	86	Confident	93.7	Very high	49 Å²	49	37.2 Å²	37.2	41%	0.405	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	5.9	171.4	0	0	0	0	0	113.6	I483 N484 L485 Q489	I483-A487 PolarHBondContact O-N 3.45Å; N484-A487 CarbonylContact O-C 3.25Å; N484-A487 PolarHBondContact O-N 2.88Å; N484-A487 VanDerWaalsContact O-N 3.15Å; L485-A487 VanDerWaalsContact C-N 3.34Å; A487-Q489 HydrophobicContact CB-CG 4.22Å; A487-Q489 PolarHBondContact O-N 3.45Å
488	D	88.8	Confident	93.7	Very high	101 Å²	101	39.7 Å²	39.7	54%	0.54	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	20.7	-175.1	-154.6	31.2	0	0	0	115	N484 L485 L486 L490 R520	N484-D488 PolarHBondContact O-N 3.47Å; L485-D488 PolarHBondContact O-N 3.33Å; L486-D488 PolarHBondContact O-N 2.95Å; D488-L490 PolarHBondContact O-N 3.42Å; D488-L490 VanDerWaalsContact O-N 3.16Å; D488-R520 IonicContact OD1-CZ 3.07Å; D488-R520 IonicContact OD1-NH1 3.35Å; D488-R520 PolarHBondContact OD1-NH1 3.15Å; D488-R520 IonicContact OD1-NH2 3.12Å; D488-R520 PolarHBondContact OD1-NH2 3.36Å
489	Q	92.3	Very high	93.8	Very high	84 Å²	84	41.2 Å²	41.2	39%	0.393	22%	0.215	S	C	.	.			trans	-87.2	76.7	176.2	-70	-178.2	-40.3	0	0	109.8	N484 A487 D491 E492 A493	N484-Q489 HydrophobicContact CB-CB 4.16Å; N484-Q489 WeakPolarHBondContact O-CB 3.48Å; N484-Q489 PolarHBondContact O-N 3.03Å; N484-Q489 PolarHBondContact OD1-OE1 2.99Å; A487-Q489 HydrophobicContact CB-CG 4.22Å; A487-Q489 PolarHBondContact O-N 3.45Å; Q489-D491 PolarHBondContact O-N 2.9Å; Q489-E492 HydrophobicContact CB-CB 4.3Å; Q489-E492 WeakPolarHBondContact CB-OE2 3.44Å; Q489-A493 WeakPolarHBondContact O-CB 3.34Å; Q489-A493 PolarHBondContact O-N 3.43Å
490	L	94.7	Very high	93.9	Very high	20 Å²	20	40.6 Å²	40.6	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-40	-171.4	-74.8	179.3	0	0	0	114	L485 D488 L494 T517 R520	L485-L490 HydrophobicContact CD1-CD2 3.79Å; D488-L490 PolarHBondContact O-N 3.42Å; D488-L490 VanDerWaalsContact O-N 3.16Å; L490-L494 VanDerWaalsContact O-CB 3.23Å; L490-L494 WeakPolarHBondContact O-CB 3.43Å; L490-L494 PolarHBondContact O-N 2.75Å; L490-T517 HydrophobicContact CD2-CG2 4.17Å; L490-R520 HydrophobicContact CD1-CB 4.4Å; L490-R520 HydrophobicContact CD2-CB 3.83Å
491	D	97	Very high	94	Very high	126 Å²	126	40 Å²	40	67%	0.674	21%	0.211	S	C	*	.	H	α-helix	trans	-71.6	-43.7	-176.1	-68.6	-34.3	0	0	0	111	Q489 L494 H495	Q489-D491 PolarHBondContact O-N 2.9Å; D491-L494 PolarHBondContact O-N 3.05Å; D491-H495 WeakPolarHBondContact O-CB 3.32Å; D491-H495 PolarHBondContact O-N 3.27Å
492	E	95.8	Very high	94.2	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-42.9	175	-62.7	84.2	169.6	0	0	111.3	N484 Q489 L494 H495 D496	N484-E492 HydrophobicContact CB-CB 4.28Å; Q489-E492 HydrophobicContact CB-CB 4.3Å; Q489-E492 WeakPolarHBondContact CB-OE2 3.44Å; E492-L494 VanDerWaalsContact C-N 3.35Å; E492-L494 PolarHBondContact O-N 3.32Å; E492-H495 PolarHBondContact O-N 3.42Å; E492-D496 PolarHBondContact O-N 3.16Å; E492-D496 VanDerWaalsContact O-N 3.15Å
493	A	96.1	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-47.4	174.2	0	0	0	0	0	111.4	G481 N484 L485 Q489 H495 D496 L497 T517	G481-A493 WeakPolarHBondContact O-CB 3.48Å; N484-A493 HydrophobicContact CB-CB 3.83Å; L485-A493 HydrophobicContact CB-CB 4.02Å; Q489-A493 WeakPolarHBondContact O-CB 3.34Å; Q489-A493 PolarHBondContact O-N 3.43Å; A493-H495 PolarHBondContact O-N 2.88Å; A493-D496 PolarHBondContact O-N 3.44Å; A493-L497 WeakPolarHBondContact O-CB 3.47Å; A493-L497 WeakPolarHBondContact O-CD1 3.42Å; A493-L497 WeakPolarHBondContact O-CG 3.36Å; A493-L497 PolarHBondContact O-N 2.95Å; A493-T517 HydrophobicContact CB-CG2 4.16Å
494	L	97.9	Very high	94.7	Very high	29 Å²	29	51.5 Å²	51.5	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-38.7	-179.6	-176.7	58.9	0	0	0	112	L490 D491 E492 L497 N498 R514 T517 L518	L490-L494 VanDerWaalsContact O-CB 3.23Å; L490-L494 WeakPolarHBondContact O-CB 3.43Å; L490-L494 PolarHBondContact O-N 2.75Å; D491-L494 PolarHBondContact O-N 3.05Å; E492-L494 VanDerWaalsContact C-N 3.35Å; E492-L494 PolarHBondContact O-N 3.32Å; L494-L497 PolarHBondContact O-N 3.49Å; L494-N498 VanDerWaalsContact O-CB 3.28Å; L494-N498 WeakPolarHBondContact O-CB 3.49Å; L494-N498 PolarHBondContact O-N 3.07Å; L494-N498 PolarHBondContact O-ND2 3.47Å; L494-R514 HydrophobicContact CD1-CG 4.21Å; L494-T517 HydrophobicContact CB-CG2 3.89Å; L494-T517 HydrophobicContact CD1-CG2 4.38Å; L494-L518 HydrophobicContact CD1-CD2 3.7Å; L494-L518 HydrophobicContact CD1-CG 3.75Å; L494-L518 HydrophobicContact CD2-CD2 3.69Å; L494-L518 HydrophobicContact CG-CD2 4.36Å
495	H	98	Very high	95	Very high	122 Å²	122	54.2 Å²	54.2	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-58.3	-50.3	176.2	178.9	73.6	0	0	0	111.9	D491 E492 A493 N498 T499	D491-H495 WeakPolarHBondContact O-CB 3.32Å; D491-H495 PolarHBondContact O-N 3.27Å; E492-H495 PolarHBondContact O-N 3.42Å; A493-H495 PolarHBondContact O-N 2.88Å; H495-N498 PolarHBondContact O-N 2.97Å; H495-T499 PolarHBondContact O-N 3.49Å; H495-T499 VanDerWaalsContact O-N 3.11Å; H495-T499 PolarHBondContact O-OG1 3.26Å
496	D	98	Very high	95.2	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.032	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-45	178.4	-81.9	-26.3	0	0	0	111.7	Y477 R480 N484 E492 A493 N498 T499 A500	Y477-D496 WeakPolarHBondContact CB-O 3.4Å; Y477-D496 WeakPolarHBondContact O-CB 3.33Å; R480-D496 VanDerWaalsContact CG-OD2 3.26Å; R480-D496 WeakPolarHBondContact CG-OD2 3.31Å; R480-D496 IonicContact CZ-OD1 3.39Å; R480-D496 IonicContact CZ-OD2 2.89Å; R480-D496 VanDerWaalsContact NE-CG 3.35Å; R480-D496 IonicContact NE-OD1 3.74Å; R480-D496 PolarHBondContact NE-OD1 3.25Å; R480-D496 IonicContact NE-OD2 3.81Å; R480-D496 PolarHBondContact NE-OD2 2.88Å; R480-D496 IonicContact NH2-OD1 2.86Å; R480-D496 PolarHBondContact NH2-OD1 2.89Å; R480-D496 IonicContact NH2-OD2 2.92Å; N484-D496 PolarHBondContact ND2-OD2 3.17Å; E492-D496 PolarHBondContact O-N 3.16Å; E492-D496 VanDerWaalsContact O-N 3.15Å; A493-D496 PolarHBondContact O-N 3.44Å; D496-N498 VanDerWaalsContact C-N 3.32Å; D496-N498 PolarHBondContact O-N 3.38Å; D496-T499 CarbonylContact O-C 3.6Å; D496-T499 WeakPolarHBondContact O-CA 3.37Å; D496-T499 WeakPolarHBondContact O-CB 3.48Å; D496-T499 PolarHBondContact O-N 2.99Å; D496-A500 PolarHBondContact O-N 3.48Å
497	L	98.2	Very high	95.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-34.1	-179.7	-69.1	168.2	0	0	0	112.7	L478 A493 L494 T499 V501 Q513 R514 T517	L478-L497 HydrophobicContact CD1-CD2 3.78Å; A493-L497 WeakPolarHBondContact O-CB 3.47Å; A493-L497 WeakPolarHBondContact O-CD1 3.42Å; A493-L497 WeakPolarHBondContact O-CG 3.36Å; A493-L497 PolarHBondContact O-N 2.95Å; L494-L497 PolarHBondContact O-N 3.49Å; L497-T499 VanDerWaalsContact C-N 3.32Å; L497-V501 WeakPolarHBondContact O-CG2 3.47Å; L497-V501 PolarHBondContact O-N 3.45Å; L497-V501 VanDerWaalsContact O-N 3.07Å; L497-Q513 HydrophobicContact CD1-CB 4.22Å; L497-Q513 HydrophobicContact CD2-CB 3.74Å; L497-R514 HydrophobicContact CB-CB 3.94Å; L497-R514 HydrophobicContact CB-CG 4.2Å; L497-T517 WeakPolarHBondContact CD1-OG1 3.45Å
498	N	98.5	Very high	96.1	Very high	72 Å²	72	57.6 Å²	57.6	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-41.3	169.7	-76.7	-27.2	0	0	0	111.2	L494 H495 D496 V501 K502 R514	L494-N498 VanDerWaalsContact O-CB 3.28Å; L494-N498 WeakPolarHBondContact O-CB 3.49Å; L494-N498 PolarHBondContact O-N 3.07Å; L494-N498 PolarHBondContact O-ND2 3.47Å; H495-N498 PolarHBondContact O-N 2.97Å; D496-N498 VanDerWaalsContact C-N 3.32Å; D496-N498 PolarHBondContact O-N 3.38Å; N498-V501 PolarHBondContact O-N 3.47Å; N498-K502 WeakPolarHBondContact O-CB 3.31Å; N498-K502 PolarHBondContact O-N 2.83Å; N498-R514 WeakPolarHBondContact OD1-CD 3.28Å
499	T	98.3	Very high	96.3	Very high	32 Å²	32	53.6 Å²	53.6	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-45.1	177.7	-56.3	0	0	0	0	111.4	Y477 H495 D496 L497 V501 K502 L503	Y477-T499 HydrophobicContact CD1-CG2 3.65Å; Y477-T499 HydrophobicContact CD2-CG2 3.95Å; Y477-T499 HydrophobicContact CE1-CG2 3.63Å; Y477-T499 HydrophobicContact CE2-CG2 3.94Å; Y477-T499 HydrophobicContact CG-CG2 3.81Å; H495-T499 PolarHBondContact O-N 3.49Å; H495-T499 VanDerWaalsContact O-N 3.11Å; H495-T499 PolarHBondContact O-OG1 3.26Å; D496-T499 CarbonylContact O-C 3.6Å; D496-T499 WeakPolarHBondContact O-CA 3.37Å; D496-T499 WeakPolarHBondContact O-CB 3.48Å; D496-T499 PolarHBondContact O-N 2.99Å; L497-T499 VanDerWaalsContact C-N 3.32Å; T499-V501 VanDerWaalsContact C-N 3.33Å; T499-V501 PolarHBondContact O-N 3.11Å; T499-K502 PolarHBondContact O-N 2.81Å; T499-K502 VanDerWaalsContact O-N 3.17Å; T499-L503 HydrophobicContact CG2-CD1 4.02Å; T499-L503 HydrophobicContact CG2-CG 4.41Å; T499-L503 VanDerWaalsContact O-CG 3.31Å; T499-L503 WeakPolarHBondContact O-CG 3.38Å; T499-L503 PolarHBondContact O-N 3.27Å
500	A	97.8	Very high	96.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-46.2	175	0	0	0	0	0	112	L478 D496 L503 K504 A510	L478-A500 HydrophobicContact CB-CB 4.38Å; D496-A500 PolarHBondContact O-N 3.48Å; A500-L503 PolarHBondContact O-N 3.17Å; A500-K504 PolarHBondContact O-N 3.01Å; A500-A510 HydrophobicContact CB-CB 4.08Å
501	V	97.9	Very high	96.6	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.109	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-35.5	178	167.6	0	0	0	0	112.2	L497 N498 T499 K504 P505 A510 Q511 R514	L497-V501 WeakPolarHBondContact O-CG2 3.47Å; L497-V501 PolarHBondContact O-N 3.45Å; L497-V501 VanDerWaalsContact O-N 3.07Å; N498-V501 PolarHBondContact O-N 3.47Å; T499-V501 VanDerWaalsContact C-N 3.33Å; T499-V501 PolarHBondContact O-N 3.11Å; V501-K504 CarbonylContact O-C 3.48Å; V501-K504 VanDerWaalsContact O-C 3.25Å; V501-P505 WeakPolarHBondContact O-CA 3.17Å; V501-P505 VanDerWaalsContact O-N 3.09Å; V501-A510 HydrophobicContact CG2-CB 3.91Å; V501-Q511 VanDerWaalsContact CG1-NE2 3.28Å; V501-Q511 HydrophobicContact CG2-CG 4.18Å; V501-R514 HydrophobicContact CG2-CB 4.24Å
502	K	98.1	Very high	96.6	Very high	177 Å²	177	43.8 Å²	43.8	77%	0.77	22%	0.219	S	C	*	.	H	α-helix	trans	-64.5	-43.1	175.4	-179.1	-175.2	174	-170.6	0	111.5	N498 T499	N498-K502 WeakPolarHBondContact O-CB 3.31Å; N498-K502 PolarHBondContact O-N 2.83Å; T499-K502 PolarHBondContact O-N 2.81Å; T499-K502 VanDerWaalsContact O-N 3.17Å
503	L	97.3	Very high	96.6	Very high	48 Å²	48	39.2 Å²	39.2	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-69.3	-36.5	179.1	-69.3	171.7	0	0	0	112.1	E472 P474 Y477 T499 A500	E472-L503 HydrophobicContact CB-CD2 4.23Å; E472-L503 WeakPolarHBondContact OE2-CD2 3.2Å; P474-L503 HydrophobicContact CB-CB 4.18Å; Y477-L503 HydrophobicContact CD2-CD1 3.56Å; Y477-L503 HydrophobicContact CE2-CD1 3.4Å; Y477-L503 VanDerWaalsContact CE2-CD1 3.4Å; T499-L503 HydrophobicContact CG2-CD1 4.02Å; T499-L503 HydrophobicContact CG2-CG 4.41Å; T499-L503 VanDerWaalsContact O-CG 3.31Å; T499-L503 WeakPolarHBondContact O-CG 3.38Å; T499-L503 PolarHBondContact O-N 3.27Å; A500-L503 PolarHBondContact O-N 3.17Å
504	K	95.9	Very high	96.7	Very high	54 Å²	54	41.5 Å²	41.5	24%	0.235	21%	0.207	C	C	.	.			trans	-139.7	85.1	179.7	-164.2	175.9	-177.7	173.8	0	111.9	A218 P474 A500 V501 E506 F507	A218-K504 HydrophobicContact CB-CD 3.68Å; A218-K504 PolarHBondContact O-NZ 3.36Å; A218-K504 VanDerWaalsContact O-NZ 3.14Å; P474-K504 HydrophobicContact CB-CB 3.98Å; P474-K504 HydrophobicContact CG-CB 3.98Å; P474-K504 HydrophobicContact CG-CD 4.18Å; A500-K504 PolarHBondContact O-N 3.01Å; V501-K504 CarbonylContact O-C 3.48Å; V501-K504 VanDerWaalsContact O-C 3.25Å; K504-E506 WeakPolarHBondContact CE-OE1 3.19Å; K504-E506 VanDerWaalsContact CG-CD 3.47Å; K504-E506 HydrophobicContact CG-CG 4.37Å; K504-E506 WeakPolarHBondContact CG-OE1 3.49Å; K504-E506 PolarHBondContact O-N 2.77Å; K504-F507 HydrophobicContact CB-CB 4.02Å; K504-F507 HydrophobicContact CD-CB 4.03Å; K504-F507 HydrophobicContact CD-CG 4.38Å; K504-F507 HydrophobicContact CG-CB 3.94Å; K504-F507 WeakPolarHBondContact O-CB 2.98Å; K504-F507 PolarHBondContact O-N 3.15Å
505	P	96.2	Very high	96.7	Very high	71 Å²	71	40.3 Å²	40.3	46%	0.461	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.5	-174.8	-27.2	36.5	0	0	0	115.2	V501 F507 Q511	V501-P505 WeakPolarHBondContact O-CA 3.17Å; V501-P505 VanDerWaalsContact O-N 3.09Å; P505-F507 VanDerWaalsContact C-N 3.31Å; P505-Q511 PolarHBondContact O-NE2 3.4Å
506	E	94.1	Very high	96.6	Very high	111 Å²	111	34.8 Å²	34.8	52%	0.519	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.4	178.3	75.4	-73.5	176.2	0	0	114	K504 S508	K504-E506 WeakPolarHBondContact CE-OE1 3.19Å; K504-E506 VanDerWaalsContact CG-CD 3.47Å; K504-E506 HydrophobicContact CG-CG 4.37Å; K504-E506 WeakPolarHBondContact CG-OE1 3.49Å; K504-E506 PolarHBondContact O-N 2.77Å; E506-S508 PolarHBondContact O-N 2.94Å
507	F	94	Very high	96.5	Very high	12 Å²	12	34.5 Å²	34.5	5%	0.053	17%	0.173	C	C	.	.			trans	-71.4	91	179.2	-165.7	-173.9	0	0	0	111.1	A216 A218 P474 L478 K504 P505 V509 A510 Q511	A216-F507 WeakPolarHBondContact O-CZ 3.24Å; A218-F507 HydrophobicContact CB-CD1 3.87Å; A218-F507 HydrophobicContact CB-CD2 4.23Å; A218-F507 HydrophobicContact CB-CE1 3.55Å; A218-F507 HydrophobicContact CB-CE2 3.95Å; A218-F507 HydrophobicContact CB-CG 4.19Å; A218-F507 HydrophobicContact CB-CZ 3.59Å; P474-F507 HydrophobicContact CB-CD1 4.23Å; P474-F507 HydrophobicContact CB-CE1 4.49Å; L478-F507 HydrophobicContact CB-CE1 4.14Å; L478-F507 HydrophobicContact CD2-CD1 4.48Å; L478-F507 HydrophobicContact CD2-CE1 3.44Å; L478-F507 VanDerWaalsContact CD2-CE1 3.44Å; L478-F507 HydrophobicContact CD2-CE2 4.2Å; L478-F507 HydrophobicContact CD2-CZ 3.26Å; L478-F507 HydrophobicContact CG-CE1 4.36Å; K504-F507 HydrophobicContact CB-CB 4.02Å; K504-F507 HydrophobicContact CD-CB 4.03Å; K504-F507 HydrophobicContact CD-CG 4.38Å; K504-F507 HydrophobicContact CG-CB 3.94Å; K504-F507 WeakPolarHBondContact O-CB 2.98Å; K504-F507 PolarHBondContact O-N 3.15Å; P505-F507 VanDerWaalsContact C-N 3.31Å; F507-V509 VanDerWaalsContact C-N 3.31Å; F507-V509 HydrophobicContact CD2-CB 4.26Å; F507-V509 HydrophobicContact CE2-CB 3.9Å; F507-V509 HydrophobicContact CE2-CG2 4.29Å; F507-V509 PolarHBondContact O-N 3.45Å; F507-A510 HydrophobicContact CB-CB 4.05Å; F507-A510 HydrophobicContact CD1-CB 3.53Å; F507-A510 HydrophobicContact CE1-CB 4.16Å; F507-A510 HydrophobicContact CG-CB 3.81Å; F507-A510 PolarHBondContact O-N 3.37Å; F507-A510 VanDerWaalsContact O-N 3.11Å; F507-Q511 WeakPolarHBondContact O-CG 3.47Å; F507-Q511 PolarHBondContact O-N 3Å
508	S	94	Very high	96.5	Very high	31 Å²	31	36.2 Å²	36.2	22%	0.217	18%	0.182	C	C	.	.	H	α-helix	trans	-56	-40.8	-173	59.1	0	0	0	0	113.6	E506 Q511 A512	E506-S508 PolarHBondContact O-N 2.94Å; S508-Q511 PolarHBondContact O-N 3.21Å; S508-A512 PolarHBondContact O-N 3.39Å
509	V	92.9	Very high	96.5	Very high	18 Å²	18	33 Å²	33	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-46.4	177.1	-179.7	0	0	0	0	111	L478 F507 Q511 A512 Q513 E550	L478-V509 HydrophobicContact CD1-CG1 4.48Å; L478-V509 HydrophobicContact CD2-CB 4.48Å; L478-V509 HydrophobicContact CD2-CG1 4.01Å; F507-V509 VanDerWaalsContact C-N 3.31Å; F507-V509 HydrophobicContact CD2-CB 4.26Å; F507-V509 HydrophobicContact CE2-CB 3.9Å; F507-V509 HydrophobicContact CE2-CG2 4.29Å; F507-V509 PolarHBondContact O-N 3.45Å; V509-Q511 PolarHBondContact O-N 3.19Å; V509-A512 PolarHBondContact O-N 2.66Å; V509-Q513 HydrophobicContact CG1-CG 4.43Å; V509-Q513 VanDerWaalsContact O-CG 3.31Å; V509-Q513 WeakPolarHBondContact O-CG 3.5Å; V509-Q513 PolarHBondContact O-N 3.23Å; V509-E550 HydrophobicContact CG1-CG 4.38Å
510	A	95	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-38.1	177.6	0	0	0	0	0	112.3	L478 A500 V501 F507 A512 Q513 R514	L478-A510 HydrophobicContact CD1-CB 4.1Å; A500-A510 HydrophobicContact CB-CB 4.08Å; V501-A510 HydrophobicContact CG2-CB 3.91Å; F507-A510 HydrophobicContact CB-CB 4.05Å; F507-A510 HydrophobicContact CD1-CB 3.53Å; F507-A510 HydrophobicContact CE1-CB 4.16Å; F507-A510 HydrophobicContact CG-CB 3.81Å; F507-A510 PolarHBondContact O-N 3.37Å; F507-A510 VanDerWaalsContact O-N 3.11Å; A510-A512 PolarHBondContact O-N 3.01Å; A510-Q513 PolarHBondContact O-N 2.97Å; A510-R514 WeakPolarHBondContact O-CB 3.25Å; A510-R514 PolarHBondContact O-N 3.33Å
511	Q	97.7	Very high	96.3	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-43.6	173.8	-69.2	-75.7	11.5	0	0	111.9	V501 P505 F507 S508 V509 R514 L515 L541 Y545	V501-Q511 VanDerWaalsContact CG1-NE2 3.28Å; V501-Q511 HydrophobicContact CG2-CG 4.18Å; P505-Q511 PolarHBondContact O-NE2 3.4Å; F507-Q511 WeakPolarHBondContact O-CG 3.47Å; F507-Q511 PolarHBondContact O-N 3Å; S508-Q511 PolarHBondContact O-N 3.21Å; V509-Q511 PolarHBondContact O-N 3.19Å; Q511-R514 VanDerWaalsContact OE1-NH2 3.09Å; Q511-L515 VanDerWaalsContact O-CB 3.31Å; Q511-L515 WeakPolarHBondContact O-CB 3.25Å; Q511-L515 PolarHBondContact O-N 2.95Å; Q511-L541 HydrophobicContact CB-CD1 3.94Å; Q511-L541 HydrophobicContact CB-CD2 4.4Å; Q511-Y545 HydrophobicContact CG-CE2 4.37Å
512	A	96.1	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-47.3	178.4	0	0	0	0	0	111.9	S508 V509 A510 L515 Y516 L541 E550 T551 L554	S508-A512 PolarHBondContact O-N 3.39Å; V509-A512 PolarHBondContact O-N 2.66Å; A510-A512 PolarHBondContact O-N 3.01Å; A512-L515 PolarHBondContact O-N 3.47Å; A512-Y516 WeakPolarHBondContact O-CB 3.35Å; A512-Y516 PolarHBondContact O-N 3.39Å; A512-L541 HydrophobicContact CB-CD2 4.19Å; A512-E550 HydrophobicContact CB-CG 4.47Å; A512-T551 WeakPolarHBondContact CB-OG1 3.47Å; A512-L554 HydrophobicContact CB-CD1 4.21Å
513	Q	96.1	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-42.1	179.4	-69	-68.1	-16.6	0	0	112.1	L478 Q482 L497 V509 A510 Y516 T517 E550	L478-Q513 HydrophobicContact CD1-CB 4.31Å; L478-Q513 HydrophobicContact CD1-CG 4.2Å; Q482-Q513 HydrophobicContact CG-CG 4.49Å; L497-Q513 HydrophobicContact CD1-CB 4.22Å; L497-Q513 HydrophobicContact CD2-CB 3.74Å; V509-Q513 HydrophobicContact CG1-CG 4.43Å; V509-Q513 VanDerWaalsContact O-CG 3.31Å; V509-Q513 WeakPolarHBondContact O-CG 3.5Å; V509-Q513 PolarHBondContact O-N 3.23Å; A510-Q513 PolarHBondContact O-N 2.97Å; Q513-Y516 PolarHBondContact O-N 3.46Å; Q513-T517 WeakPolarHBondContact O-CB 3.32Å; Q513-T517 PolarHBondContact O-N 3.18Å; Q513-T517 PolarHBondContact O-OG1 3.24Å; Q513-E550 PolarHBondContact NE2-OE1 3.23Å
514	R	98	Very high	95.9	Very high	48 Å²	48	32.9 Å²	32.9	18%	0.181	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174.3	-172.8	-171.8	63.9	75.8	3.3	111.2	L494 L497 N498 V501 A510 Q511 T517 L518	L494-R514 HydrophobicContact CD1-CG 4.21Å; L497-R514 HydrophobicContact CB-CB 3.94Å; L497-R514 HydrophobicContact CB-CG 4.2Å; N498-R514 WeakPolarHBondContact OD1-CD 3.28Å; V501-R514 HydrophobicContact CG2-CB 4.24Å; A510-R514 WeakPolarHBondContact O-CB 3.25Å; A510-R514 PolarHBondContact O-N 3.33Å; Q511-R514 VanDerWaalsContact OE1-NH2 3.09Å; R514-T517 PolarHBondContact O-N 3.45Å; R514-L518 WeakPolarHBondContact O-CG 3.28Å; R514-L518 PolarHBondContact O-N 3.22Å
515	L	98	Very high	95.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-38.4	-179.1	-175	60.5	0	0	0	112.2	Q511 A512 L518 Y519 R534 E537 F538 L541	Q511-L515 VanDerWaalsContact O-CB 3.31Å; Q511-L515 WeakPolarHBondContact O-CB 3.25Å; Q511-L515 PolarHBondContact O-N 2.95Å; A512-L515 PolarHBondContact O-N 3.47Å; L515-L518 PolarHBondContact O-N 3.18Å; L515-Y519 PolarHBondContact O-N 3.4Å; L515-R534 HydrophobicContact CD1-CB 4.46Å; L515-E537 HydrophobicContact CD1-CB 3.75Å; L515-E537 HydrophobicContact CD2-CB 3.88Å; L515-E537 HydrophobicContact CG-CB 4.48Å; L515-F538 HydrophobicContact CB-CE1 4.46Å; L515-F538 HydrophobicContact CB-CE2 4.27Å; L515-F538 HydrophobicContact CB-CZ 4.08Å; L515-F538 HydrophobicContact CD2-CB 4.16Å; L515-F538 HydrophobicContact CD2-CD1 3.78Å; L515-F538 HydrophobicContact CD2-CD2 3.66Å; L515-F538 HydrophobicContact CD2-CE1 4.04Å; L515-F538 HydrophobicContact CD2-CE2 3.91Å; L515-F538 HydrophobicContact CD2-CG 3.58Å; L515-F538 HydrophobicContact CD2-CZ 4.1Å; L515-F538 HydrophobicContact CG-CD1 4.44Å; L515-F538 HydrophobicContact CG-CD2 3.78Å; L515-F538 HydrophobicContact CG-CE1 4.28Å; L515-F538 HydrophobicContact CG-CE2 3.58Å; L515-F538 HydrophobicContact CG-CG 4.2Å; L515-F538 HydrophobicContact CG-CZ 3.86Å; L515-L541 HydrophobicContact CD2-CB 4.36Å; L515-L541 HydrophobicContact CD2-CD2 3.93Å
516	Y	97.1	Very high	95.8	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-43.4	172.5	-179.9	-102.3	0	0	0	111.9	V7 L485 A512 Q513 L518 Y519 R520 L554 I558	V7-Y516 HydrophobicContact CG1-CE1 4.38Å; V7-Y516 WeakPolarHBondContact CG1-OH 3.31Å; L485-Y516 HydrophobicContact CD2-CD1 3.78Å; L485-Y516 HydrophobicContact CD2-CE1 3.97Å; A512-Y516 WeakPolarHBondContact O-CB 3.35Å; A512-Y516 PolarHBondContact O-N 3.39Å; Q513-Y516 PolarHBondContact O-N 3.46Å; Y516-L518 PolarHBondContact O-N 3.4Å; Y516-Y519 WeakPolarHBondContact O-CB 3.39Å; Y516-Y519 PolarHBondContact O-N 3.45Å; Y516-R520 HydrophobicContact CD1-CG 4.44Å; Y516-R520 HydrophobicContact CE1-CG 3.98Å; Y516-R520 PolarHBondContact O-N 3.44Å; Y516-L554 HydrophobicContact CD1-CD2 4.48Å; Y516-L554 HydrophobicContact CD2-CB 4.37Å; Y516-L554 HydrophobicContact CD2-CD2 3.93Å; Y516-L554 HydrophobicContact CE2-CD2 4.21Å; Y516-L554 HydrophobicContact CG-CD1 4.37Å; Y516-L554 HydrophobicContact CG-CD2 4.09Å; Y516-I558 HydrophobicContact CD2-CD1 3.91Å; Y516-I558 HydrophobicContact CD2-CG1 4.3Å; Y516-I558 HydrophobicContact CE2-CD1 4.41Å; Y516-I558 HydrophobicContact CE2-CG1 4.31Å
517	T	96.2	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-44.1	176.8	-55	0	0	0	0	111.1	L485 L490 A493 L494 L497 Q513 R514 Y519 R520 C521	L485-T517 HydrophobicContact CD1-CG2 4.26Å; L490-T517 HydrophobicContact CD2-CG2 4.17Å; A493-T517 HydrophobicContact CB-CG2 4.16Å; L494-T517 HydrophobicContact CB-CG2 3.89Å; L494-T517 HydrophobicContact CD1-CG2 4.38Å; L497-T517 WeakPolarHBondContact CD1-OG1 3.45Å; Q513-T517 WeakPolarHBondContact O-CB 3.32Å; Q513-T517 PolarHBondContact O-N 3.18Å; Q513-T517 PolarHBondContact O-OG1 3.24Å; R514-T517 PolarHBondContact O-N 3.45Å; T517-Y519 VanDerWaalsContact C-N 3.31Å; T517-Y519 PolarHBondContact O-N 3.4Å; T517-R520 WeakPolarHBondContact O-CB 3.41Å; T517-R520 PolarHBondContact O-N 3.03Å; T517-R520 VanDerWaalsContact O-N 3.14Å; T517-C521 PolarHBondContact O-N 3.43Å; T517-C521 PolarHBondContact O-SG 2.97Å
518	L	97.8	Very high	95.9	Very high	36 Å²	36	35.5 Å²	35.5	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-37.6	174	-73.4	170.6	0	0	0	113.1	L494 R514 L515 Y516 C521 A522 R534	L494-L518 HydrophobicContact CD1-CD2 3.7Å; L494-L518 HydrophobicContact CD1-CG 3.75Å; L494-L518 HydrophobicContact CD2-CD2 3.69Å; L494-L518 HydrophobicContact CG-CD2 4.36Å; R514-L518 WeakPolarHBondContact O-CG 3.28Å; R514-L518 PolarHBondContact O-N 3.22Å; L515-L518 PolarHBondContact O-N 3.18Å; Y516-L518 PolarHBondContact O-N 3.4Å; L518-C521 PolarHBondContact O-N 3.36Å; L518-A522 WeakPolarHBondContact O-CB 3.45Å; L518-A522 PolarHBondContact O-N 3.42Å; L518-R534 HydrophobicContact CB-CG 4.4Å
519	Y	97.2	Very high	96.1	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.02	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-45.2	173.2	166.4	-97.3	0	0	0	111.2	L515 Y516 T517 A522 L523 V531 R534 I535 I558	L515-Y519 PolarHBondContact O-N 3.4Å; Y516-Y519 WeakPolarHBondContact O-CB 3.39Å; Y516-Y519 PolarHBondContact O-N 3.45Å; T517-Y519 VanDerWaalsContact C-N 3.31Å; T517-Y519 PolarHBondContact O-N 3.4Å; Y519-A522 PolarHBondContact O-N 3.07Å; Y519-L523 HydrophobicContact CD1-CD1 3.98Å; Y519-L523 HydrophobicContact CE1-CD1 3.29Å; Y519-L523 HydrophobicContact CE1-CG 4.13Å; Y519-L523 HydrophobicContact CE2-CD1 4.2Å; Y519-L523 HydrophobicContact CE2-CG 4.22Å; Y519-L523 VanDerWaalsContact CZ-CD1 3.43Å; Y519-L523 PolarHBondContact O-N 2.97Å; Y519-V531 HydrophobicContact CD2-CG1 4.25Å; Y519-V531 HydrophobicContact CE2-CG1 3.79Å; Y519-R534 HydrophobicContact CD2-CB 4.39Å; Y519-I535 HydrophobicContact CE2-CD1 4.5Å; Y519-I535 HydrophobicContact CE2-CG1 4.42Å; Y519-I558 HydrophobicContact CD1-CD1 3.93Å; Y519-I558 HydrophobicContact CD1-CG1 3.96Å; Y519-I558 HydrophobicContact CD2-CG2 4.34Å; Y519-I558 HydrophobicContact CE1-CD1 4.2Å; Y519-I558 HydrophobicContact CE1-CG1 3.71Å; Y519-I558 HydrophobicContact CE1-CG2 4.23Å; Y519-I558 HydrophobicContact CE2-CG2 3.73Å; Y519-I558 HydrophobicContact CG-CD1 4.11Å; Y519-I558 HydrophobicContact CG-CG1 4.49Å
520	R	96.1	Very high	96.3	Very high	50 Å²	50	42.5 Å²	42.5	19%	0.189	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-44.9	175	-71.4	-159.8	64.8	-129.2	-13.9	112.8	D488 L490 Y516 T517 A522 L523 T524	D488-R520 IonicContact OD1-CZ 3.07Å; D488-R520 IonicContact OD1-NH1 3.35Å; D488-R520 PolarHBondContact OD1-NH1 3.15Å; D488-R520 IonicContact OD1-NH2 3.12Å; D488-R520 PolarHBondContact OD1-NH2 3.36Å; L490-R520 HydrophobicContact CD1-CB 4.4Å; L490-R520 HydrophobicContact CD2-CB 3.83Å; Y516-R520 HydrophobicContact CD1-CG 4.44Å; Y516-R520 HydrophobicContact CE1-CG 3.98Å; Y516-R520 PolarHBondContact O-N 3.44Å; T517-R520 WeakPolarHBondContact O-CB 3.41Å; T517-R520 PolarHBondContact O-N 3.03Å; T517-R520 VanDerWaalsContact O-N 3.14Å; R520-A522 VanDerWaalsContact C-N 3.28Å; R520-A522 PolarHBondContact O-N 3.15Å; R520-L523 WeakPolarHBondContact O-CB 3.06Å; R520-L523 PolarHBondContact O-N 3.33Å; R520-T524 PolarHBondContact O-N 3.01Å; R520-T524 PolarHBondContact O-OG1 3.44Å; R520-T524 VanDerWaalsContact O-OG1 3.14Å
521	C	96.1	Very high	96.3	Very high	30 Å²	30	42.9 Å²	42.9	20%	0.203	25%	0.252	C	S	.	.	H	α-helix	trans	-56.3	-43.9	174.4	-65.4	0	0	0	0	111.5	T517 L518 T524 A525	T517-C521 PolarHBondContact O-N 3.43Å; T517-C521 PolarHBondContact O-SG 2.97Å; L518-C521 PolarHBondContact O-N 3.36Å; C521-T524 PolarHBondContact O-N 3.41Å; C521-A525 WeakPolarHBondContact O-CB 3.17Å; C521-A525 PolarHBondContact O-N 2.98Å
522	A	96.9	Very high	96.3	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-39.9	178.7	0	0	0	0	0	112.6	L518 Y519 R520 A525 G526 D527 K530 V531	L518-A522 WeakPolarHBondContact O-CB 3.45Å; L518-A522 PolarHBondContact O-N 3.42Å; Y519-A522 PolarHBondContact O-N 3.07Å; R520-A522 VanDerWaalsContact C-N 3.28Å; R520-A522 PolarHBondContact O-N 3.15Å; A522-A525 PolarHBondContact O-N 3.29Å; A522-G526 PolarHBondContact O-N 3.5Å; A522-G526 VanDerWaalsContact O-N 3.13Å; A522-D527 PolarHBondContact O-N 3.45Å; A522-K530 HydrophobicContact CB-CB 3.74Å; A522-V531 HydrophobicContact CB-CG2 3.57Å
523	L	94.6	Very high	96.4	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-48	173.3	-79.1	177.3	0	0	0	112.1	Y519 R520 A525 G526 V531	Y519-L523 HydrophobicContact CD1-CD1 3.98Å; Y519-L523 HydrophobicContact CE1-CD1 3.29Å; Y519-L523 HydrophobicContact CE1-CG 4.13Å; Y519-L523 HydrophobicContact CE2-CD1 4.2Å; Y519-L523 HydrophobicContact CE2-CG 4.22Å; Y519-L523 VanDerWaalsContact CZ-CD1 3.43Å; Y519-L523 PolarHBondContact O-N 2.97Å; R520-L523 WeakPolarHBondContact O-CB 3.06Å; R520-L523 PolarHBondContact O-N 3.33Å; L523-A525 VanDerWaalsContact C-N 3.28Å; L523-A525 PolarHBondContact O-N 3.42Å; L523-G526 PolarHBondContact O-N 3.27Å; L523-V531 HydrophobicContact CD2-CG1 4.1Å; L523-V531 HydrophobicContact CD2-CG2 3.94Å; L523-V531 HydrophobicContact CG-CG2 4.1Å
524	T	94.2	Very high	96.4	Very high	105 Å²	105	49.8 Å²	49.8	64%	0.644	29%	0.29	S	S	*	.	H	α-helix	trans	-63.2	-36.5	179.8	-59.6	0	0	0	0	111.5	R520 C521 G526	R520-T524 PolarHBondContact O-N 3.01Å; R520-T524 PolarHBondContact O-OG1 3.44Å; R520-T524 VanDerWaalsContact O-OG1 3.14Å; C521-T524 PolarHBondContact O-N 3.41Å; T524-G526 VanDerWaalsContact C-N 3.26Å; T524-G526 PolarHBondContact O-N 3.03Å
525	A	95.1	Very high	96.4	Very high	78 Å²	78	47.8 Å²	47.8	65%	0.645	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.6	174.7	0	0	0	0	0	114	C521 A522 L523 D527	C521-A525 WeakPolarHBondContact O-CB 3.17Å; C521-A525 PolarHBondContact O-N 2.98Å; A522-A525 PolarHBondContact O-N 3.29Å; L523-A525 VanDerWaalsContact C-N 3.28Å; L523-A525 PolarHBondContact O-N 3.42Å; A525-D527 PolarHBondContact O-N 2.88Å
526	G	94.3	Very high	96.4	Very high	57 Å²	57	50.8 Å²	50.8	59%	0.588	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	18.4	-174.9	0	0	0	0	0	114.4	A522 L523 T524 I528	A522-G526 PolarHBondContact O-N 3.5Å; A522-G526 VanDerWaalsContact O-N 3.13Å; L523-G526 PolarHBondContact O-N 3.27Å; T524-G526 VanDerWaalsContact C-N 3.26Å; T524-G526 PolarHBondContact O-N 3.03Å; G526-I528 PolarHBondContact O-N 2.87Å
527	D	96.2	Very high	96.4	Very high	48 Å²	48	52.7 Å²	52.7	26%	0.257	31%	0.306	S	S	.	.			trans	-86.6	87.1	-177.3	-171.7	-24.1	0	0	0	110.5	A522 A525 S529 K530 V531	A522-D527 PolarHBondContact O-N 3.45Å; A525-D527 PolarHBondContact O-N 2.88Å; D527-S529 PolarHBondContact O-N 3.43Å; D527-S529 PolarHBondContact OD1-N 3.32Å; D527-K530 HydrophobicContact CB-CB 4.15Å; D527-K530 HydrophobicContact CB-CD 4.32Å; D527-K530 HydrophobicContact CB-CG 4.4Å; D527-K530 PolarHBondContact O-N 2.86Å; D527-K530 VanDerWaalsContact O-N 3.17Å; D527-K530 PolarHBondContact OD1-N 3.37Å; D527-K530 WeakPolarHBondContact OD2-CD 3.44Å; D527-K530 WeakPolarHBondContact OD2-CE 3.46Å; D527-K530 VanDerWaalsContact OD2-CG 3.3Å; D527-K530 WeakPolarHBondContact OD2-CG 3.3Å; D527-K530 IonicContact OD2-NZ 3.58Å; D527-K530 PolarHBondContact OD2-NZ 3.39Å; D527-V531 WeakPolarHBondContact O-CG2 3.28Å; D527-V531 PolarHBondContact O-N 3.21Å
528	I	94.9	Very high	96.5	Very high	120 Å²	120	52.7 Å²	52.7	62%	0.615	31%	0.306	S	S	*	.	H	α-helix	trans	-57.3	-38.7	-176.2	-59.5	170.8	0	0	0	111.4	G526 K530 V531 D532	G526-I528 PolarHBondContact O-N 2.87Å; I528-K530 PolarHBondContact O-N 3.36Å; I528-V531 WeakPolarHBondContact O-CB 3.47Å; I528-V531 PolarHBondContact O-N 3.22Å; I528-D532 PolarHBondContact O-N 3.01Å
529	S	96.8	Very high	96.5	Very high	92 Å²	92	54.5 Å²	54.5	64%	0.643	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-43.8	179.6	-179.7	0	0	0	0	111.7	D527 D532 S533	D527-S529 PolarHBondContact O-N 3.43Å; D527-S529 PolarHBondContact OD1-N 3.32Å; S529-D532 PolarHBondContact O-N 3.28Å; S529-S533 WeakPolarHBondContact O-CB 3.31Å; S529-S533 PolarHBondContact O-N 3.35Å
530	K	97	Very high	96.6	Very high	104 Å²	104	61.2 Å²	61.2	45%	0.452	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-41	173.4	-75.2	-175.9	-169.4	126.2	0	111.7	A522 D527 I528 D532 S533 R534	A522-K530 HydrophobicContact CB-CB 3.74Å; D527-K530 HydrophobicContact CB-CB 4.15Å; D527-K530 HydrophobicContact CB-CD 4.32Å; D527-K530 HydrophobicContact CB-CG 4.4Å; D527-K530 PolarHBondContact O-N 2.86Å; D527-K530 VanDerWaalsContact O-N 3.17Å; D527-K530 PolarHBondContact OD1-N 3.37Å; D527-K530 WeakPolarHBondContact OD2-CD 3.44Å; D527-K530 WeakPolarHBondContact OD2-CE 3.46Å; D527-K530 VanDerWaalsContact OD2-CG 3.3Å; D527-K530 WeakPolarHBondContact OD2-CG 3.3Å; D527-K530 IonicContact OD2-NZ 3.58Å; D527-K530 PolarHBondContact OD2-NZ 3.39Å; I528-K530 PolarHBondContact O-N 3.36Å; K530-D532 VanDerWaalsContact C-N 3.31Å; K530-D532 PolarHBondContact O-N 3.2Å; K530-S533 WeakPolarHBondContact O-CB 3.27Å; K530-S533 PolarHBondContact O-N 2.96Å; K530-R534 VanDerWaalsContact O-CG 3.29Å; K530-R534 WeakPolarHBondContact O-CG 3.49Å; K530-R534 PolarHBondContact O-N 3.4Å
531	V	96.6	Very high	96.6	Very high	9 Å²	9	59.6 Å²	59.6	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-57.4	-45.5	177.3	169.5	0	0	0	0	110.6	Y519 A522 L523 D527 I528 R534 I535 R562	Y519-V531 HydrophobicContact CD2-CG1 4.25Å; Y519-V531 HydrophobicContact CE2-CG1 3.79Å; A522-V531 HydrophobicContact CB-CG2 3.57Å; L523-V531 HydrophobicContact CD2-CG1 4.1Å; L523-V531 HydrophobicContact CD2-CG2 3.94Å; L523-V531 HydrophobicContact CG-CG2 4.1Å; D527-V531 WeakPolarHBondContact O-CG2 3.28Å; D527-V531 PolarHBondContact O-N 3.21Å; I528-V531 WeakPolarHBondContact O-CB 3.47Å; I528-V531 PolarHBondContact O-N 3.22Å; V531-R534 PolarHBondContact O-N 2.97Å; V531-I535 PolarHBondContact O-N 3.41Å; V531-R562 VanDerWaalsContact CG1-NH1 3.27Å
532	D	96.5	Very high	96.7	Very high	76 Å²	76	59 Å²	59	41%	0.406	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-42.6	175	-68.1	-21.6	0	0	0	112.8	I528 S529 K530 R534 I535 E536 R562	I528-D532 PolarHBondContact O-N 3.01Å; S529-D532 PolarHBondContact O-N 3.28Å; K530-D532 VanDerWaalsContact C-N 3.31Å; K530-D532 PolarHBondContact O-N 3.2Å; D532-R534 VanDerWaalsContact C-N 3.31Å; D532-R534 PolarHBondContact O-N 3.01Å; D532-I535 PolarHBondContact O-N 3.19Å; D532-E536 PolarHBondContact O-N 2.89Å; D532-E536 VanDerWaalsContact O-N 3.13Å; D532-R562 IonicContact OD1-CZ 3.24Å; D532-R562 IonicContact OD1-NH1 2.71Å; D532-R562 PolarHBondContact OD1-NH1 3.41Å; D532-R562 IonicContact OD1-NH2 3.38Å; D532-R562 PolarHBondContact OD1-NH2 3.38Å
533	S	97.7	Very high	96.7	Very high	47 Å²	47	66.8 Å²	66.8	33%	0.329	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-41.4	174.9	-176.7	0	0	0	0	112.1	S529 K530 I535 E536 E537	S529-S533 WeakPolarHBondContact O-CB 3.31Å; S529-S533 PolarHBondContact O-N 3.35Å; K530-S533 WeakPolarHBondContact O-CB 3.27Å; K530-S533 PolarHBondContact O-N 2.96Å; S533-I535 VanDerWaalsContact C-N 3.31Å; S533-I535 PolarHBondContact O-N 3.32Å; S533-E536 PolarHBondContact O-N 3.08Å; S533-E537 WeakPolarHBondContact O-CG 3.36Å; S533-E537 PolarHBondContact O-N 3.24Å; S533-E537 PolarHBondContact OG-OE1 2.84Å
534	R	97.5	Very high	96.8	Very high	44 Å²	44	69 Å²	69	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-34.9	179.2	-67.3	-50.2	89.6	87.1	-6.6	111.9	L515 L518 Y519 K530 V531 D532 E537 F538	L515-R534 HydrophobicContact CD1-CB 4.46Å; L518-R534 HydrophobicContact CB-CG 4.4Å; Y519-R534 HydrophobicContact CD2-CB 4.39Å; K530-R534 VanDerWaalsContact O-CG 3.29Å; K530-R534 WeakPolarHBondContact O-CG 3.49Å; K530-R534 PolarHBondContact O-N 3.4Å; V531-R534 PolarHBondContact O-N 2.97Å; D532-R534 VanDerWaalsContact C-N 3.31Å; D532-R534 PolarHBondContact O-N 3.01Å; R534-E537 IonicContact CZ-OE1 3.71Å; R534-E537 IonicContact NE-OE1 3.58Å; R534-E537 PolarHBondContact NE-OE1 3.48Å; R534-E537 IonicContact NE-OE2 3Å; R534-E537 IonicContact NH2-OE1 2.71Å; R534-E537 PolarHBondContact NH2-OE1 3.35Å; R534-E537 WeakPolarHBondContact O-CB 3.44Å; R534-E537 PolarHBondContact O-N 3.05Å; R534-F538 WeakPolarHBondContact O-CD2 3.28Å; R534-F538 PolarHBondContact O-N 3.42Å
535	I	97.5	Very high	96.8	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-42.7	174.7	-70.9	-165.9	0	0	0	111.8	Y519 V531 D532 S533 E537 F538 R539 F555 I558 R562	Y519-I535 HydrophobicContact CE2-CD1 4.5Å; Y519-I535 HydrophobicContact CE2-CG1 4.42Å; V531-I535 PolarHBondContact O-N 3.41Å; D532-I535 PolarHBondContact O-N 3.19Å; S533-I535 VanDerWaalsContact C-N 3.31Å; S533-I535 PolarHBondContact O-N 3.32Å; I535-E537 VanDerWaalsContact C-N 3.28Å; I535-E537 PolarHBondContact O-N 3.15Å; I535-F538 WeakPolarHBondContact O-CB 3.48Å; I535-F538 PolarHBondContact O-N 3.27Å; I535-F538 VanDerWaalsContact O-N 3.08Å; I535-R539 PolarHBondContact O-N 3.44Å; I535-F555 HydrophobicContact CG2-CE2 4.19Å; I535-I558 HydrophobicContact CD1-CG2 3.82Å; I535-I558 HydrophobicContact CG1-CG2 4Å; I535-R562 HydrophobicContact CD1-CG 4.44Å
536	E	97.7	Very high	96.8	Very high	68 Å²	68	65.2 Å²	65.2	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-35.4	176.2	-172	53.2	-145.6	0	0	111.6	D532 S533 F538 R539 R540	D532-E536 PolarHBondContact O-N 2.89Å; D532-E536 VanDerWaalsContact O-N 3.13Å; S533-E536 PolarHBondContact O-N 3.08Å; E536-F538 VanDerWaalsContact C-N 3.32Å; E536-F538 PolarHBondContact O-N 3.41Å; E536-R539 WeakPolarHBondContact O-CB 3.42Å; E536-R539 PolarHBondContact O-N 2.91Å; E536-R539 WeakPolarHBondContact OE2-CD 3.37Å; E536-R539 IonicContact OE2-CZ 3.56Å; E536-R539 IonicContact OE2-NH1 2.86Å; E536-R539 PolarHBondContact OE2-NH1 3.05Å; E536-R540 WeakPolarHBondContact O-CG 3.49Å; E536-R540 PolarHBondContact O-N 3.36Å; E536-R540 VanDerWaalsContact O-N 3.09Å
537	E	98	Very high	96.7	Very high	45 Å²	45	68.7 Å²	68.7	21%	0.21	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-37.2	170.1	-75.5	169.1	-118.4	0	0	112.5	L515 S533 R534 I535 R540 L541	L515-E537 HydrophobicContact CD1-CB 3.75Å; L515-E537 HydrophobicContact CD2-CB 3.88Å; L515-E537 HydrophobicContact CG-CB 4.48Å; S533-E537 WeakPolarHBondContact O-CG 3.36Å; S533-E537 PolarHBondContact O-N 3.24Å; S533-E537 PolarHBondContact OG-OE1 2.84Å; R534-E537 IonicContact CZ-OE1 3.71Å; R534-E537 IonicContact NE-OE1 3.58Å; R534-E537 PolarHBondContact NE-OE1 3.48Å; R534-E537 IonicContact NE-OE2 3Å; R534-E537 IonicContact NH2-OE1 2.71Å; R534-E537 PolarHBondContact NH2-OE1 3.35Å; R534-E537 WeakPolarHBondContact O-CB 3.44Å; R534-E537 PolarHBondContact O-N 3.05Å; I535-E537 VanDerWaalsContact C-N 3.28Å; I535-E537 PolarHBondContact O-N 3.15Å; E537-R540 PolarHBondContact O-N 2.89Å; E537-L541 WeakPolarHBondContact O-CB 3.5Å; E537-L541 PolarHBondContact O-N 2.96Å
538	F	98.1	Very high	96.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-42.1	173.9	-93	-72.1	0	0	0	111.5	L515 R534 I535 E536 R540 L541 V542 L554 F555 I558	L515-F538 HydrophobicContact CB-CE1 4.46Å; L515-F538 HydrophobicContact CB-CE2 4.27Å; L515-F538 HydrophobicContact CB-CZ 4.08Å; L515-F538 HydrophobicContact CD2-CB 4.16Å; L515-F538 HydrophobicContact CD2-CD1 3.78Å; L515-F538 HydrophobicContact CD2-CD2 3.66Å; L515-F538 HydrophobicContact CD2-CE1 4.04Å; L515-F538 HydrophobicContact CD2-CE2 3.91Å; L515-F538 HydrophobicContact CD2-CG 3.58Å; L515-F538 HydrophobicContact CD2-CZ 4.1Å; L515-F538 HydrophobicContact CG-CD1 4.44Å; L515-F538 HydrophobicContact CG-CD2 3.78Å; L515-F538 HydrophobicContact CG-CE1 4.28Å; L515-F538 HydrophobicContact CG-CE2 3.58Å; L515-F538 HydrophobicContact CG-CG 4.2Å; L515-F538 HydrophobicContact CG-CZ 3.86Å; R534-F538 WeakPolarHBondContact O-CD2 3.28Å; R534-F538 PolarHBondContact O-N 3.42Å; I535-F538 WeakPolarHBondContact O-CB 3.48Å; I535-F538 PolarHBondContact O-N 3.27Å; I535-F538 VanDerWaalsContact O-N 3.08Å; E536-F538 VanDerWaalsContact C-N 3.32Å; E536-F538 PolarHBondContact O-N 3.41Å; F538-R540 VanDerWaalsContact C-N 3.28Å; F538-R540 PolarHBondContact O-N 3.34Å; F538-L541 PolarHBondContact O-N 2.95Å; F538-V542 WeakPolarHBondContact O-CG2 3.46Å; F538-V542 PolarHBondContact O-N 3.32Å; F538-L554 HydrophobicContact CE1-CB 4.29Å; F538-F555 HydrophobicContact CB-CB 4.44Å; F538-F555 HydrophobicContact CB-CD2 3.4Å; F538-F555 HydrophobicContact CB-CE2 3.72Å; F538-F555 HydrophobicContact CB-CG 3.95Å; F538-F555 HydrophobicContact CB-CZ 4.49Å; F538-F555 HydrophobicContact CD1-CB 3.96Å; F538-F555 HydrophobicContact CD1-CD2 4.32Å; F538-F555 HydrophobicContact CD1-CG 4.39Å; F538-F555 HydrophobicContact CG-CB 4.4Å; F538-F555 AromaticContact CG-CD2 3.91Å; F538-F555 HydrophobicContact CG-CD2 3.91Å; F538-F555 HydrophobicContact CG-CG 4.39Å; F538-I558 HydrophobicContact CD2-CD1 3.71Å; F538-I558 HydrophobicContact CE1-CD1 4.3Å; F538-I558 HydrophobicContact CE2-CD1 3.16Å; F538-I558 HydrophobicContact CG-CD1 4.47Å; F538-I558 HydrophobicContact CZ-CD1 3.52Å
539	R	97.8	Very high	96.3	Very high	74 Å²	74	63.1 Å²	63.1	28%	0.279	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-40.9	174.4	-69.6	-170	-173.6	106.2	4.6	112.2	I535 E536 K543 F555 E567	I535-R539 PolarHBondContact O-N 3.44Å; E536-R539 WeakPolarHBondContact O-CB 3.42Å; E536-R539 PolarHBondContact O-N 2.91Å; E536-R539 WeakPolarHBondContact OE2-CD 3.37Å; E536-R539 IonicContact OE2-CZ 3.56Å; E536-R539 IonicContact OE2-NH1 2.86Å; E536-R539 PolarHBondContact OE2-NH1 3.05Å; R539-K543 WeakPolarHBondContact O-CG 3.43Å; R539-K543 PolarHBondContact O-N 3.16Å; R539-F555 HydrophobicContact CG-CE1 4.09Å; R539-F555 HydrophobicContact CG-CE2 4.33Å; R539-F555 HydrophobicContact CG-CZ 3.49Å; R539-F555 VanDerWaalsContact CG-CZ 3.49Å; R539-E567 IonicContact CZ-OE1 2.67Å; R539-E567 IonicContact CZ-OE2 3.85Å; R539-E567 IonicContact NE-OE1 3.84Å; R539-E567 PolarHBondContact NE-OE1 2.89Å; R539-E567 IonicContact NE-OE2 2.88Å; R539-E567 IonicContact NH2-OE1 2.74Å; R539-E567 IonicContact NH2-OE2 3.21Å; R539-E567 PolarHBondContact NH2-OE2 3.14Å
540	R	98	Very high	96	Very high	146 Å²	146	59.4 Å²	59.4	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-68.9	-37.5	174.6	-63.7	176	-151.9	153.9	2.7	111.7	E536 E537 F538 K543 K544	E536-R540 WeakPolarHBondContact O-CG 3.49Å; E536-R540 PolarHBondContact O-N 3.36Å; E536-R540 VanDerWaalsContact O-N 3.09Å; E537-R540 PolarHBondContact O-N 2.89Å; F538-R540 VanDerWaalsContact C-N 3.28Å; F538-R540 PolarHBondContact O-N 3.34Å; R540-K543 PolarHBondContact O-N 3.37Å; R540-K544 WeakPolarHBondContact O-CB 3.39Å; R540-K544 PolarHBondContact O-N 3Å
541	L	97.4	Very high	95.8	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-41.8	-178.9	-167.2	67.4	0	0	0	112.1	Q511 A512 L515 E537 F538 K543 K544 Y545 T551	Q511-L541 HydrophobicContact CB-CD1 3.94Å; Q511-L541 HydrophobicContact CB-CD2 4.4Å; A512-L541 HydrophobicContact CB-CD2 4.19Å; L515-L541 HydrophobicContact CD2-CB 4.36Å; L515-L541 HydrophobicContact CD2-CD2 3.93Å; E537-L541 WeakPolarHBondContact O-CB 3.5Å; E537-L541 PolarHBondContact O-N 2.96Å; F538-L541 PolarHBondContact O-N 2.95Å; L541-K543 VanDerWaalsContact C-N 3.31Å; L541-K543 PolarHBondContact O-N 3.35Å; L541-K544 PolarHBondContact O-N 2.85Å; L541-K544 VanDerWaalsContact O-N 3.16Å; L541-Y545 HydrophobicContact CD1-CD2 3.52Å; L541-Y545 HydrophobicContact CD1-CE2 3.58Å; L541-Y545 HydrophobicContact CG-CD2 4.17Å; L541-Y545 PolarHBondContact O-N 3.17Å; L541-T551 HydrophobicContact CB-CG2 4.16Å; L541-T551 HydrophobicContact CD2-CG2 3.91Å; L541-T551 HydrophobicContact CG-CG2 3.86Å
542	V	96.9	Very high	95.7	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-45.4	172.4	168.9	0	0	0	0	110.9	F538 K544 Y545 P546 T551 F555	F538-V542 WeakPolarHBondContact O-CG2 3.46Å; F538-V542 PolarHBondContact O-N 3.32Å; V542-K544 VanDerWaalsContact C-N 3.34Å; V542-K544 PolarHBondContact O-N 3.27Å; V542-Y545 CarbonylContact O-C 3.59Å; V542-Y545 PolarHBondContact O-N 2.87Å; V542-P546 WeakPolarHBondContact O-CA 3.49Å; V542-T551 HydrophobicContact CB-CG2 4.47Å; V542-T551 HydrophobicContact CG2-CG2 3.69Å; V542-F555 HydrophobicContact CG2-CB 4.39Å; V542-F555 HydrophobicContact CG2-CD1 3.67Å; V542-F555 HydrophobicContact CG2-CE1 4.34Å; V542-F555 HydrophobicContact CG2-CG 4.32Å
543	K	96.9	Very high	95.6	Very high	166 Å²	166	52 Å²	52	72%	0.722	25%	0.248	S	C	*	.	H	α-helix	trans	-64.9	-36.5	176.7	-68.6	174.9	-177.8	177.6	0	112.8	R539 R540 L541	R539-K543 WeakPolarHBondContact O-CG 3.43Å; R539-K543 PolarHBondContact O-N 3.16Å; R540-K543 PolarHBondContact O-N 3.37Å; L541-K543 VanDerWaalsContact C-N 3.31Å; L541-K543 PolarHBondContact O-N 3.35Å
544	K	97.5	Very high	95.4	Very high	129 Å²	129	49.9 Å²	49.9	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-73.2	-36.9	-179.8	-170.7	178.9	-179.1	-166.7	0	112.4	R540 L541 V542	R540-K544 WeakPolarHBondContact O-CB 3.39Å; R540-K544 PolarHBondContact O-N 3Å; L541-K544 PolarHBondContact O-N 2.85Å; L541-K544 VanDerWaalsContact O-N 3.16Å; V542-K544 VanDerWaalsContact C-N 3.34Å; V542-K544 PolarHBondContact O-N 3.27Å
545	Y	95.4	Very high	95.4	Very high	36 Å²	36	48 Å²	48	14%	0.141	23%	0.226	C	C	.	.			trans	-126.6	69.2	-178.8	-56.3	-69.6	0	0	0	111.1	Q511 L541 V542 N547 C548	Q511-Y545 HydrophobicContact CG-CE2 4.37Å; L541-Y545 HydrophobicContact CD1-CD2 3.52Å; L541-Y545 HydrophobicContact CD1-CE2 3.58Å; L541-Y545 HydrophobicContact CG-CD2 4.17Å; L541-Y545 PolarHBondContact O-N 3.17Å; V542-Y545 CarbonylContact O-C 3.59Å; V542-Y545 PolarHBondContact O-N 2.87Å; Y545-N547 PolarHBondContact O-N 3.45Å; Y545-C548 WeakPolarHBondContact O-CB 3.21Å; Y545-C548 PolarHBondContact O-N 3.18Å
546	P	95	Very high	95.3	Very high	69 Å²	69	47.7 Å²	47.7	45%	0.448	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.5	-172.9	25.9	-35.8	0	0	0	113.8	V542 H552 L578	V542-P546 WeakPolarHBondContact O-CA 3.49Å; P546-H552 PolarHBondContact O-CE1 3.5Å; P546-L578 VanDerWaalsContact O-CD1 3.31Å; P546-L578 WeakPolarHBondContact O-CD1 3.42Å
547	N	91.7	Very high	95	Very high	129 Å²	129	46 Å²	46	69%	0.69	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	5.3	179.1	-60.1	-26.9	0	0	0	113.2	Y545 L549	Y545-N547 PolarHBondContact O-N 3.45Å; N547-L549 PolarHBondContact O-N 3.34Å
548	C	91.9	Very high	94.8	Very high	10 Å²	10	43.9 Å²	43.9	7%	0.068	21%	0.207	C	C	.	.			trans	-83.7	101.4	179.1	-174.5	0	0	0	0	110.6	Y545 E550 T551 H552	Y545-C548 WeakPolarHBondContact O-CB 3.21Å; Y545-C548 PolarHBondContact O-N 3.18Å; C548-E550 VanDerWaalsContact C-N 3.26Å; C548-E550 PolarHBondContact O-N 3.31Å; C548-T551 WeakPolarHBondContact CB-OG1 3.36Å; C548-T551 PolarHBondContact O-N 3.3Å; C548-T551 PolarHBondContact SG-OG1 3.49Å; C548-H552 PolarHBondContact O-N 3.08Å; C548-H552 PolarHBondContact O-ND1 3.36Å
549	L	90.6	Very high	94.7	Very high	42 Å²	42	43.9 Å²	43.9	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-39.5	178.3	-59.9	179.3	0	0	0	112.3	N547 T551 H552 S553 L575 L578 A579	N547-L549 PolarHBondContact O-N 3.34Å; L549-T551 VanDerWaalsContact C-N 3.34Å; L549-T551 PolarHBondContact O-N 2.84Å; L549-H552 PolarHBondContact O-N 3.07Å; L549-S553 WeakPolarHBondContact O-CB 3.41Å; L549-S553 PolarHBondContact O-N 2.98Å; L549-S553 PolarHBondContact O-OG 3.41Å; L549-L575 HydrophobicContact CB-CD1 4.12Å; L549-L575 HydrophobicContact CD2-CD1 3.78Å; L549-L578 HydrophobicContact CD2-CB 3.56Å; L549-L578 HydrophobicContact CD2-CD1 4.22Å; L549-A579 HydrophobicContact CD1-CB 4.1Å; L549-A579 HydrophobicContact CD2-CB 3.92Å
550	E	90.7	Very high	94.5	Very high	14 Å²	14	41 Å²	41	7%	0.065	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-40.6	179.9	-163.9	66.6	-156	0	0	111.6	V509 A512 Q513 C548 S553 L554	V509-E550 HydrophobicContact CG1-CG 4.38Å; A512-E550 HydrophobicContact CB-CG 4.47Å; Q513-E550 PolarHBondContact NE2-OE1 3.23Å; C548-E550 VanDerWaalsContact C-N 3.26Å; C548-E550 PolarHBondContact O-N 3.31Å; E550-S553 PolarHBondContact O-N 3.18Å; E550-L554 HydrophobicContact CG-CD1 3.96Å; E550-L554 HydrophobicContact CG-CG 4.47Å; E550-L554 WeakPolarHBondContact O-CB 3.48Å; E550-L554 WeakPolarHBondContact O-CG 3.34Å; E550-L554 PolarHBondContact O-N 2.95Å
551	T	93.1	Very high	94.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-46.7	177.6	-59.1	0	0	0	0	111	A512 L541 V542 C548 L549 F555	A512-T551 WeakPolarHBondContact CB-OG1 3.47Å; L541-T551 HydrophobicContact CB-CG2 4.16Å; L541-T551 HydrophobicContact CD2-CG2 3.91Å; L541-T551 HydrophobicContact CG-CG2 3.86Å; V542-T551 HydrophobicContact CB-CG2 4.47Å; V542-T551 HydrophobicContact CG2-CG2 3.69Å; C548-T551 WeakPolarHBondContact CB-OG1 3.36Å; C548-T551 PolarHBondContact O-N 3.3Å; C548-T551 PolarHBondContact SG-OG1 3.49Å; L549-T551 VanDerWaalsContact C-N 3.34Å; L549-T551 PolarHBondContact O-N 2.84Å; T551-F555 WeakPolarHBondContact O-CB 3.42Å; T551-F555 PolarHBondContact O-N 3.17Å
552	H	94.6	Very high	93.9	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.032	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-44.6	178.7	-70.3	75.4	0	0	0	111.2	P546 C548 L549 F555 A556 I571 L575	P546-H552 PolarHBondContact O-CE1 3.5Å; C548-H552 PolarHBondContact O-N 3.08Å; C548-H552 PolarHBondContact O-ND1 3.36Å; L549-H552 PolarHBondContact O-N 3.07Å; H552-F555 PolarHBondContact O-N 3.38Å; H552-A556 VanDerWaalsContact O-CB 3.26Å; H552-A556 WeakPolarHBondContact O-CB 3.2Å; H552-A556 PolarHBondContact O-N 2.89Å; H552-I571 HydrophobicContact CB-CG2 3.99Å; H552-I571 VanDerWaalsContact O-CG2 3.28Å; H552-I571 WeakPolarHBondContact O-CG2 3.48Å; H552-L575 HydrophobicContact CB-CB 4.4Å; H552-L575 HydrophobicContact CB-CD1 3.95Å
553	S	92.5	Very high	93.7	Very high	25 Å²	25	41.7 Å²	41.7	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-52.7	-178.5	-57	0	0	0	0	111.6	L549 E550 F555 A556 Q557 L575	L549-S553 WeakPolarHBondContact O-CB 3.41Å; L549-S553 PolarHBondContact O-N 2.98Å; L549-S553 PolarHBondContact O-OG 3.41Å; E550-S553 PolarHBondContact O-N 3.18Å; S553-F555 VanDerWaalsContact C-N 3.34Å; S553-F555 PolarHBondContact O-N 3.17Å; S553-A556 PolarHBondContact O-N 3.27Å; S553-Q557 WeakPolarHBondContact O-CB 3.21Å; S553-Q557 PolarHBondContact O-N 3.18Å; S553-Q557 VanDerWaalsContact O-N 3.08Å; S553-L575 WeakPolarHBondContact OG-CD2 3.42Å
554	L	94.1	Very high	93.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-40.9	179.6	-67.8	171.8	0	0	0	111.4	A512 Y516 F538 E550 Q557 I558	A512-L554 HydrophobicContact CB-CD1 4.21Å; Y516-L554 HydrophobicContact CD1-CD2 4.48Å; Y516-L554 HydrophobicContact CD2-CB 4.37Å; Y516-L554 HydrophobicContact CD2-CD2 3.93Å; Y516-L554 HydrophobicContact CE2-CD2 4.21Å; Y516-L554 HydrophobicContact CG-CD1 4.37Å; Y516-L554 HydrophobicContact CG-CD2 4.09Å; F538-L554 HydrophobicContact CE1-CB 4.29Å; E550-L554 HydrophobicContact CG-CD1 3.96Å; E550-L554 HydrophobicContact CG-CG 4.47Å; E550-L554 WeakPolarHBondContact O-CB 3.48Å; E550-L554 WeakPolarHBondContact O-CG 3.34Å; E550-L554 PolarHBondContact O-N 2.95Å; L554-Q557 PolarHBondContact O-N 3.4Å; L554-I558 VanDerWaalsContact O-CG1 3.31Å; L554-I558 WeakPolarHBondContact O-CG1 3.45Å; L554-I558 PolarHBondContact O-N 3.32Å
555	F	97.4	Very high	93.6	Very high	3 Å²	3	33 Å²	33	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-44.5	-180	-176.2	-137.9	0	0	0	112.4	I535 F538 R539 V542 T551 H552 S553 Q557 I558 L559 I571	I535-F555 HydrophobicContact CG2-CE2 4.19Å; F538-F555 HydrophobicContact CB-CB 4.44Å; F538-F555 HydrophobicContact CB-CD2 3.4Å; F538-F555 HydrophobicContact CB-CE2 3.72Å; F538-F555 HydrophobicContact CB-CG 3.95Å; F538-F555 HydrophobicContact CB-CZ 4.49Å; F538-F555 HydrophobicContact CD1-CB 3.96Å; F538-F555 HydrophobicContact CD1-CD2 4.32Å; F538-F555 HydrophobicContact CD1-CG 4.39Å; F538-F555 HydrophobicContact CG-CB 4.4Å; F538-F555 AromaticContact CG-CD2 3.91Å; F538-F555 HydrophobicContact CG-CD2 3.91Å; F538-F555 HydrophobicContact CG-CG 4.39Å; R539-F555 HydrophobicContact CG-CE1 4.09Å; R539-F555 HydrophobicContact CG-CE2 4.33Å; R539-F555 HydrophobicContact CG-CZ 3.49Å; R539-F555 VanDerWaalsContact CG-CZ 3.49Å; V542-F555 HydrophobicContact CG2-CB 4.39Å; V542-F555 HydrophobicContact CG2-CD1 3.67Å; V542-F555 HydrophobicContact CG2-CE1 4.34Å; V542-F555 HydrophobicContact CG2-CG 4.32Å; T551-F555 WeakPolarHBondContact O-CB 3.42Å; T551-F555 PolarHBondContact O-N 3.17Å; H552-F555 PolarHBondContact O-N 3.38Å; S553-F555 VanDerWaalsContact C-N 3.34Å; S553-F555 PolarHBondContact O-N 3.17Å; F555-Q557 VanDerWaalsContact C-N 3.27Å; F555-Q557 PolarHBondContact O-N 3.01Å; F555-I558 PolarHBondContact O-N 3.27Å; F555-L559 HydrophobicContact CD1-CD1 4.08Å; F555-L559 HydrophobicContact CD2-CD1 4.15Å; F555-L559 HydrophobicContact CD2-CG 4.08Å; F555-L559 HydrophobicContact CE1-CD1 3.75Å; F555-L559 HydrophobicContact CE2-CD1 3.8Å; F555-L559 HydrophobicContact CE2-CD2 3.88Å; F555-L559 HydrophobicContact CE2-CG 3.73Å; F555-L559 HydrophobicContact CG-CD1 4.29Å; F555-L559 HydrophobicContact CZ-CD1 3.59Å; F555-L559 HydrophobicContact CZ-CD2 4.06Å; F555-L559 HydrophobicContact CZ-CG 4Å; F555-L559 WeakPolarHBondContact O-CG 3.31Å; F555-L559 PolarHBondContact O-N 3.32Å; F555-I571 HydrophobicContact CD1-CD1 4.06Å; F555-I571 HydrophobicContact CD1-CG1 3.93Å; F555-I571 HydrophobicContact CD1-CG2 4.36Å; F555-I571 HydrophobicContact CE1-CD1 4.03Å; F555-I571 HydrophobicContact CE1-CG1 4.07Å
556	A	95.1	Very high	93.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-40.8	176	0	0	0	0	0	111.4	H552 S553 L559 S560 S568 I571 F572	H552-A556 VanDerWaalsContact O-CB 3.26Å; H552-A556 WeakPolarHBondContact O-CB 3.2Å; H552-A556 PolarHBondContact O-N 2.89Å; S553-A556 PolarHBondContact O-N 3.27Å; A556-L559 PolarHBondContact O-N 3.43Å; A556-S560 WeakPolarHBondContact O-CB 3.41Å; A556-S560 PolarHBondContact O-N 3.4Å; A556-S560 PolarHBondContact O-OG 3.29Å; A556-S568 PolarHBondContact O-OG 3.31Å; A556-I571 HydrophobicContact CB-CB 3.95Å; A556-I571 HydrophobicContact CB-CG2 3.77Å; A556-F572 HydrophobicContact CB-CD1 3.77Å; A556-F572 HydrophobicContact CB-CD2 3.95Å; A556-F572 HydrophobicContact CB-CE1 3.48Å; A556-F572 VanDerWaalsContact CB-CE1 3.48Å; A556-F572 HydrophobicContact CB-CE2 3.71Å; A556-F572 HydrophobicContact CB-CG 3.98Å; A556-F572 HydrophobicContact CB-CZ 3.46Å; A556-F572 VanDerWaalsContact CB-CZ 3.46Å
557	Q	91.9	Very high	93.8	Very high	34 Å²	34	38 Å²	38	16%	0.159	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-46.9	175.6	-177	179.8	-8.3	0	0	112.1	N11 S553 L554 F555 L559 S560 E561	N11-Q557 PolarHBondContact ND2-NE2 2.81Å; S553-Q557 WeakPolarHBondContact O-CB 3.21Å; S553-Q557 PolarHBondContact O-N 3.18Å; S553-Q557 VanDerWaalsContact O-N 3.08Å; L554-Q557 PolarHBondContact O-N 3.4Å; F555-Q557 VanDerWaalsContact C-N 3.27Å; F555-Q557 PolarHBondContact O-N 3.01Å; Q557-L559 VanDerWaalsContact C-N 3.31Å; Q557-L559 PolarHBondContact O-N 2.99Å; Q557-S560 VanDerWaalsContact O-CB 3.31Å; Q557-S560 WeakPolarHBondContact O-CB 3.46Å; Q557-S560 PolarHBondContact O-N 3.03Å; Q557-S560 VanDerWaalsContact O-N 3.16Å; Q557-E561 WeakPolarHBondContact CG-OE1 3.32Å; Q557-E561 PolarHBondContact NE2-OE1 3.35Å; Q557-E561 WeakPolarHBondContact O-CG 3.35Å; Q557-E561 PolarHBondContact O-N 3.38Å
558	I	94.3	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.5	-46.9	176.7	-73.3	165.6	0	0	0	110.9	Y516 Y519 I535 F538 L554 F555 S560 E561 R562	Y516-I558 HydrophobicContact CD2-CD1 3.91Å; Y516-I558 HydrophobicContact CD2-CG1 4.3Å; Y516-I558 HydrophobicContact CE2-CD1 4.41Å; Y516-I558 HydrophobicContact CE2-CG1 4.31Å; Y519-I558 HydrophobicContact CD1-CD1 3.93Å; Y519-I558 HydrophobicContact CD1-CG1 3.96Å; Y519-I558 HydrophobicContact CD2-CG2 4.34Å; Y519-I558 HydrophobicContact CE1-CD1 4.2Å; Y519-I558 HydrophobicContact CE1-CG1 3.71Å; Y519-I558 HydrophobicContact CE1-CG2 4.23Å; Y519-I558 HydrophobicContact CE2-CG2 3.73Å; Y519-I558 HydrophobicContact CG-CD1 4.11Å; Y519-I558 HydrophobicContact CG-CG1 4.49Å; I535-I558 HydrophobicContact CD1-CG2 3.82Å; I535-I558 HydrophobicContact CG1-CG2 4Å; F538-I558 HydrophobicContact CD2-CD1 3.71Å; F538-I558 HydrophobicContact CE1-CD1 4.3Å; F538-I558 HydrophobicContact CE2-CD1 3.16Å; F538-I558 HydrophobicContact CG-CD1 4.47Å; F538-I558 HydrophobicContact CZ-CD1 3.52Å; L554-I558 VanDerWaalsContact O-CG1 3.31Å; L554-I558 WeakPolarHBondContact O-CG1 3.45Å; L554-I558 PolarHBondContact O-N 3.32Å; F555-I558 PolarHBondContact O-N 3.27Å; I558-S560 PolarHBondContact O-N 3.34Å; I558-E561 PolarHBondContact O-N 3.1Å; I558-R562 PolarHBondContact O-N 3.07Å
559	L	96.7	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177.7	-68.1	169.6	0	0	0	111.7	F555 A556 Q557 E561 R562 G563 D564 E567 I571	F555-L559 HydrophobicContact CD1-CD1 4.08Å; F555-L559 HydrophobicContact CD2-CD1 4.15Å; F555-L559 HydrophobicContact CD2-CG 4.08Å; F555-L559 HydrophobicContact CE1-CD1 3.75Å; F555-L559 HydrophobicContact CE2-CD1 3.8Å; F555-L559 HydrophobicContact CE2-CD2 3.88Å; F555-L559 HydrophobicContact CE2-CG 3.73Å; F555-L559 HydrophobicContact CG-CD1 4.29Å; F555-L559 HydrophobicContact CZ-CD1 3.59Å; F555-L559 HydrophobicContact CZ-CD2 4.06Å; F555-L559 HydrophobicContact CZ-CG 4Å; F555-L559 WeakPolarHBondContact O-CG 3.31Å; F555-L559 PolarHBondContact O-N 3.32Å; A556-L559 PolarHBondContact O-N 3.43Å; Q557-L559 VanDerWaalsContact C-N 3.31Å; Q557-L559 PolarHBondContact O-N 2.99Å; L559-E561 VanDerWaalsContact C-N 3.29Å; L559-E561 PolarHBondContact O-N 3.5Å; L559-R562 PolarHBondContact O-N 3.05Å; L559-G563 PolarHBondContact O-N 3.03Å; L559-G563 VanDerWaalsContact O-N 3.12Å; L559-D564 HydrophobicContact CB-CB 4.17Å; L559-D564 HydrophobicContact CD2-CB 3.82Å; L559-D564 PolarHBondContact O-N 2.72Å; L559-E567 HydrophobicContact CD1-CB 3.96Å; L559-E567 HydrophobicContact CD1-CG 3.71Å; L559-E567 HydrophobicContact CD2-CB 4.42Å; L559-E567 HydrophobicContact CD2-CG 4.43Å; L559-I571 HydrophobicContact CD1-CG1 4.05Å
560	S	93.8	Very high	94.6	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-38.2	173.7	-83.5	0	0	0	0	112.7	A556 Q557 I558 F565 S568 K595	A556-S560 WeakPolarHBondContact O-CB 3.41Å; A556-S560 PolarHBondContact O-N 3.4Å; A556-S560 PolarHBondContact O-OG 3.29Å; Q557-S560 VanDerWaalsContact O-CB 3.31Å; Q557-S560 WeakPolarHBondContact O-CB 3.46Å; Q557-S560 PolarHBondContact O-N 3.03Å; Q557-S560 VanDerWaalsContact O-N 3.16Å; I558-S560 PolarHBondContact O-N 3.34Å; S560-F565 WeakPolarHBondContact O-CE1 3.39Å; S560-S568 PolarHBondContact OG-OG 3.11Å; S560-K595 PolarHBondContact O-NZ 3.47Å
561	E	90.2	Very high	94.9	Very high	67 Å²	67	36.9 Å²	36.9	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-70.7	-38.4	178.8	-74.9	172.8	-168.8	0	0	112.3	N11 Q557 I558 L559 G563	N11-E561 PolarHBondContact ND2-OE1 2.79Å; Q557-E561 WeakPolarHBondContact CG-OE1 3.32Å; Q557-E561 PolarHBondContact NE2-OE1 3.35Å; Q557-E561 WeakPolarHBondContact O-CG 3.35Å; Q557-E561 PolarHBondContact O-N 3.38Å; I558-E561 PolarHBondContact O-N 3.1Å; L559-E561 VanDerWaalsContact C-N 3.29Å; L559-E561 PolarHBondContact O-N 3.5Å; E561-G563 VanDerWaalsContact C-N 3.3Å; E561-G563 PolarHBondContact O-N 2.9Å
562	R	91.6	Very high	95.1	Very high	95 Å²	95	37.2 Å²	37.2	36%	0.358	18%	0.181	S	C	.	.	H	α-helix	trans	-76.4	-13.9	176.5	-71.6	-169	80	157.6	5	114.9	V531 D532 I535 I558 L559	V531-R562 VanDerWaalsContact CG1-NH1 3.27Å; D532-R562 IonicContact OD1-CZ 3.24Å; D532-R562 IonicContact OD1-NH1 2.71Å; D532-R562 PolarHBondContact OD1-NH1 3.41Å; D532-R562 IonicContact OD1-NH2 3.38Å; D532-R562 PolarHBondContact OD1-NH2 3.38Å; I535-R562 HydrophobicContact CD1-CG 4.44Å; I558-R562 PolarHBondContact O-N 3.07Å; L559-R562 PolarHBondContact O-N 3.05Å
563	G	92.2	Very high	95.2	Very high	32 Å²	32	38.1 Å²	38.1	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	8.9	-177	0	0	0	0	0	114.1	L559 E561 F565	L559-G563 PolarHBondContact O-N 3.03Å; L559-G563 VanDerWaalsContact O-N 3.12Å; E561-G563 VanDerWaalsContact C-N 3.3Å; E561-G563 PolarHBondContact O-N 2.9Å; G563-F565 WeakPolarHBondContact O-CD2 3.07Å; G563-F565 PolarHBondContact O-N 3.35Å
564	D	96	Very high	95.4	Very high	68 Å²	68	40.5 Å²	40.5	36%	0.364	20%	0.201	S	C	.	.			trans	-76.8	52.4	173.7	-64.8	-47.5	0	0	0	111	L559 K566 E567 S568	L559-D564 HydrophobicContact CB-CB 4.17Å; L559-D564 HydrophobicContact CD2-CB 3.82Å; L559-D564 PolarHBondContact O-N 2.72Å; D564-K566 VanDerWaalsContact C-N 3.28Å; D564-K566 PolarHBondContact O-N 2.94Å; D564-E567 PolarHBondContact O-N 3.21Å; D564-E567 VanDerWaalsContact O-N 3.12Å; D564-S568 PolarHBondContact O-N 2.91Å
565	F	97.3	Very high	95.4	Very high	43 Å²	43	40.7 Å²	40.7	19%	0.189	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-33.8	-166.5	-57.8	-57	0	0	0	113.7	S560 G563 S568 D569 L592 K595 W596	S560-F565 WeakPolarHBondContact O-CE1 3.39Å; G563-F565 WeakPolarHBondContact O-CD2 3.07Å; G563-F565 PolarHBondContact O-N 3.35Å; F565-S568 PolarHBondContact O-N 2.9Å; F565-D569 WeakPolarHBondContact O-CB 3.4Å; F565-D569 PolarHBondContact O-N 3.31Å; F565-L592 HydrophobicContact CB-CD1 4.11Å; F565-L592 HydrophobicContact CD1-CD1 3.53Å; F565-L592 HydrophobicContact CE1-CD1 4.38Å; F565-L592 HydrophobicContact CG-CD1 4.23Å; F565-K595 HydrophobicContact CE1-CD 3.95Å; F565-K595 HydrophobicContact CE1-CG 3.98Å; F565-K595 HydrophobicContact CZ-CG 4.25Å; F565-W596 HydrophobicContact CB-CB 3.81Å; F565-W596 HydrophobicContact CB-CD2 3.47Å; F565-W596 VanDerWaalsContact CB-CD2 3.47Å; F565-W596 HydrophobicContact CB-CE3 4.02Å; F565-W596 HydrophobicContact CB-CG 3.34Å; F565-W596 HydrophobicContact CD1-CB 3.99Å; F565-W596 HydrophobicContact CD1-CG 4.38Å; F565-W596 HydrophobicContact CD2-CB 3.96Å; F565-W596 AromaticContact CD2-CD1 3.27Å; F565-W596 AromaticContact CD2-CG 3.69Å; F565-W596 HydrophobicContact CD2-CG 3.69Å; F565-W596 AromaticContact CD2-NE1 3.97Å; F565-W596 HydrophobicContact CE2-CB 4.5Å; F565-W596 HydrophobicContact CG-CB 3.66Å; F565-W596 AromaticContact CG-CD1 3.64Å; F565-W596 HydrophobicContact CG-CD2 4.24Å; F565-W596 AromaticContact CG-CG 3.57Å; F565-W596 HydrophobicContact CG-CG 3.57Å
566	K	97.4	Very high	95.3	Very high	150 Å²	150	41.4 Å²	41.4	65%	0.652	21%	0.205	S	C	*	.	H	α-helix	trans	-68	-38.2	178.8	-174.9	178.7	-178.6	179.1	0	112.4	D564 K570 W596	D564-K566 VanDerWaalsContact C-N 3.28Å; D564-K566 PolarHBondContact O-N 2.94Å; K566-K570 WeakPolarHBondContact O-CG 3.39Å; K566-W596 HydrophobicContact CB-CH2 4.5Å
567	E	97.1	Very high	95.4	Very high	60 Å²	60	46.7 Å²	46.7	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-73.2	-42.9	175.2	-164.2	176.1	-177.2	0	0	109.1	R539 L559 D564 D569 K570 I571	R539-E567 IonicContact CZ-OE1 2.67Å; R539-E567 IonicContact CZ-OE2 3.85Å; R539-E567 IonicContact NE-OE1 3.84Å; R539-E567 PolarHBondContact NE-OE1 2.89Å; R539-E567 IonicContact NE-OE2 2.88Å; R539-E567 IonicContact NH2-OE1 2.74Å; R539-E567 IonicContact NH2-OE2 3.21Å; R539-E567 PolarHBondContact NH2-OE2 3.14Å; L559-E567 HydrophobicContact CD1-CB 3.96Å; L559-E567 HydrophobicContact CD1-CG 3.71Å; L559-E567 HydrophobicContact CD2-CB 4.42Å; L559-E567 HydrophobicContact CD2-CG 4.43Å; D564-E567 PolarHBondContact O-N 3.21Å; D564-E567 VanDerWaalsContact O-N 3.12Å; E567-D569 PolarHBondContact O-N 3.26Å; E567-K570 WeakPolarHBondContact O-CB 3.47Å; E567-K570 PolarHBondContact O-N 3.07Å; E567-K570 VanDerWaalsContact O-N 3.15Å; E567-I571 WeakPolarHBondContact O-CG1 3.38Å; E567-I571 PolarHBondContact O-N 2.86Å; E567-I571 VanDerWaalsContact O-N 3.14Å
568	S	96.4	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.5	-45.4	175.8	-170.1	0	0	0	0	113.3	A556 S560 D564 F565 K570 I571 F572	A556-S568 PolarHBondContact O-OG 3.31Å; S560-S568 PolarHBondContact OG-OG 3.11Å; D564-S568 PolarHBondContact O-N 2.91Å; F565-S568 PolarHBondContact O-N 2.9Å; S568-K570 VanDerWaalsContact C-N 3.29Å; S568-K570 PolarHBondContact O-N 3.19Å; S568-I571 PolarHBondContact O-N 2.86Å; S568-F572 VanDerWaalsContact O-CD2 3.28Å; S568-F572 WeakPolarHBondContact O-CD2 3.44Å; S568-F572 PolarHBondContact O-N 2.86Å; S568-F572 WeakPolarHBondContact OG-CE2 3.39Å
569	D	97.6	Very high	95.3	Very high	30 Å²	30	48.2 Å²	48.2	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-36	179.1	-174.7	64.3	0	0	0	112.5	F565 E567 F572 A573 R589 L592 Q593 W596	F565-D569 WeakPolarHBondContact O-CB 3.4Å; F565-D569 PolarHBondContact O-N 3.31Å; E567-D569 PolarHBondContact O-N 3.26Å; D569-F572 PolarHBondContact O-N 3.44Å; D569-A573 WeakPolarHBondContact O-CB 3.38Å; D569-A573 PolarHBondContact O-N 2.91Å; D569-R589 IonicContact OD1-CZ 3.15Å; D569-R589 IonicContact OD1-NE 3.15Å; D569-R589 PolarHBondContact OD1-NE 2.98Å; D569-R589 IonicContact OD1-NH2 2.86Å; D569-R589 PolarHBondContact OD1-NH2 2.93Å; D569-R589 IonicContact OD2-NH2 3.84Å; D569-R589 PolarHBondContact OD2-NH2 2.77Å; D569-R589 VanDerWaalsContact OD2-NH2 3.15Å; D569-L592 VanDerWaalsContact CA-CD2 3.48Å; D569-L592 HydrophobicContact CB-CD2 3.74Å; D569-Q593 PolarHBondContact OD1-NE2 3.47Å; D569-W596 HydrophobicContact CB-CZ3 4.2Å
570	K	97.3	Very high	95.2	Very high	127 Å²	127	51.5 Å²	51.5	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-47.7	175.2	-68.4	177.5	178.4	-173	0	111.2	K566 E567 S568 F572 A573 D574	K566-K570 WeakPolarHBondContact O-CG 3.39Å; E567-K570 WeakPolarHBondContact O-CB 3.47Å; E567-K570 PolarHBondContact O-N 3.07Å; E567-K570 VanDerWaalsContact O-N 3.15Å; S568-K570 VanDerWaalsContact C-N 3.29Å; S568-K570 PolarHBondContact O-N 3.19Å; K570-F572 VanDerWaalsContact C-N 3.28Å; K570-F572 PolarHBondContact O-N 2.93Å; K570-A573 WeakPolarHBondContact O-CA 3Å; K570-A573 WeakPolarHBondContact O-CB 3.27Å; K570-A573 PolarHBondContact O-N 3.49Å; K570-D574 PolarHBondContact O-N 3.04Å
571	I	96.7	Very high	95.2	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-36.3	179.4	-55.2	-58.2	0	0	0	110.9	H552 F555 A556 L559 E567 S568 D574 L575	H552-I571 HydrophobicContact CB-CG2 3.99Å; H552-I571 VanDerWaalsContact O-CG2 3.28Å; H552-I571 WeakPolarHBondContact O-CG2 3.48Å; F555-I571 HydrophobicContact CD1-CD1 4.06Å; F555-I571 HydrophobicContact CD1-CG1 3.93Å; F555-I571 HydrophobicContact CD1-CG2 4.36Å; F555-I571 HydrophobicContact CE1-CD1 4.03Å; F555-I571 HydrophobicContact CE1-CG1 4.07Å; A556-I571 HydrophobicContact CB-CB 3.95Å; A556-I571 HydrophobicContact CB-CG2 3.77Å; L559-I571 HydrophobicContact CD1-CG1 4.05Å; E567-I571 WeakPolarHBondContact O-CG1 3.38Å; E567-I571 PolarHBondContact O-N 2.86Å; E567-I571 VanDerWaalsContact O-N 3.14Å; S568-I571 PolarHBondContact O-N 2.86Å; I571-D574 PolarHBondContact O-N 3.17Å; I571-L575 WeakPolarHBondContact O-CB 3.4Å; I571-L575 PolarHBondContact O-N 2.74Å
572	F	96.8	Very high	95.3	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-35.4	172.1	-76.2	-54.5	0	0	0	113.2	A556 S568 D569 K570 D574 L575 I576 H588 R589 L592	A556-F572 HydrophobicContact CB-CD1 3.77Å; A556-F572 HydrophobicContact CB-CD2 3.95Å; A556-F572 HydrophobicContact CB-CE1 3.48Å; A556-F572 VanDerWaalsContact CB-CE1 3.48Å; A556-F572 HydrophobicContact CB-CE2 3.71Å; A556-F572 HydrophobicContact CB-CG 3.98Å; A556-F572 HydrophobicContact CB-CZ 3.46Å; A556-F572 VanDerWaalsContact CB-CZ 3.46Å; S568-F572 VanDerWaalsContact O-CD2 3.28Å; S568-F572 WeakPolarHBondContact O-CD2 3.44Å; S568-F572 PolarHBondContact O-N 2.86Å; S568-F572 WeakPolarHBondContact OG-CE2 3.39Å; D569-F572 PolarHBondContact O-N 3.44Å; K570-F572 VanDerWaalsContact C-N 3.28Å; K570-F572 PolarHBondContact O-N 2.93Å; F572-D574 VanDerWaalsContact C-N 3.35Å; F572-L575 HydrophobicContact CD1-CD2 4.17Å; F572-L575 PolarHBondContact O-N 3.06Å; F572-I576 WeakPolarHBondContact O-CG1 3.22Å; F572-I576 PolarHBondContact O-N 3.02Å; F572-H588 HydrophobicContact CD1-CB 3.95Å; F572-H588 HydrophobicContact CE1-CB 3.37Å; F572-H588 HydrophobicContact CZ-CB 3.71Å; F572-R589 HydrophobicContact CB-CB 3.99Å; F572-R589 HydrophobicContact CB-CG 3.91Å; F572-R589 HydrophobicContact CG-CB 4.37Å; F572-L592 HydrophobicContact CD2-CB 4.4Å; F572-L592 HydrophobicContact CD2-CD2 3.69Å; F572-L592 HydrophobicContact CE2-CB 4.26Å; F572-L592 HydrophobicContact CE2-CD2 4.06Å
573	A	97.5	Very high	95.3	Very high	26 Å²	26	46.6 Å²	46.6	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-40.6	172.6	0	0	0	0	0	111.9	D569 K570 L575 I576 T577	D569-A573 WeakPolarHBondContact O-CB 3.38Å; D569-A573 PolarHBondContact O-N 2.91Å; K570-A573 WeakPolarHBondContact O-CA 3Å; K570-A573 WeakPolarHBondContact O-CB 3.27Å; K570-A573 PolarHBondContact O-N 3.49Å; A573-L575 VanDerWaalsContact C-N 3.35Å; A573-I576 PolarHBondContact O-N 3.34Å; A573-T577 PolarHBondContact O-N 3.49Å; A573-T577 PolarHBondContact O-OG1 2.89Å
574	D	96.2	Very high	95.3	Very high	75 Å²	75	46.2 Å²	46.2	40%	0.401	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-41.6	174	-63.4	-22.5	0	0	0	110.7	K570 I571 F572 I576 T577 L578	K570-D574 PolarHBondContact O-N 3.04Å; I571-D574 PolarHBondContact O-N 3.17Å; F572-D574 VanDerWaalsContact C-N 3.35Å; D574-I576 PolarHBondContact O-N 3.3Å; D574-T577 WeakPolarHBondContact O-CA 3.37Å; D574-T577 WeakPolarHBondContact O-CB 2.7Å; D574-T577 PolarHBondContact O-N 2.9Å; D574-T577 VanDerWaalsContact O-N 3.07Å; D574-L578 WeakPolarHBondContact O-CG 3.36Å; D574-L578 PolarHBondContact O-N 2.92Å
575	L	93.4	Very high	95.1	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-42	176	-174.7	67.2	0	0	0	112.4	L549 H552 S553 I571 F572 A573 T577 L578 A579 A585	L549-L575 HydrophobicContact CB-CD1 4.12Å; L549-L575 HydrophobicContact CD2-CD1 3.78Å; H552-L575 HydrophobicContact CB-CB 4.4Å; H552-L575 HydrophobicContact CB-CD1 3.95Å; S553-L575 WeakPolarHBondContact OG-CD2 3.42Å; I571-L575 WeakPolarHBondContact O-CB 3.4Å; I571-L575 PolarHBondContact O-N 2.74Å; F572-L575 HydrophobicContact CD1-CD2 4.17Å; F572-L575 PolarHBondContact O-N 3.06Å; A573-L575 VanDerWaalsContact C-N 3.35Å; L575-T577 VanDerWaalsContact C-N 3.31Å; L575-L578 PolarHBondContact O-N 3.18Å; L575-A579 PolarHBondContact O-N 3.41Å; L575-A585 HydrophobicContact CD2-CB 4Å; L575-A585 HydrophobicContact CG-CB 3.96Å
576	I	95.7	Very high	95.1	Very high	18 Å²	18	41.4 Å²	41.4	9%	0.092	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-38.8	173.3	-69.1	168.6	0	0	0	110.6	F572 A573 D574 L578 A579 P580 A585 Y586 R589	F572-I576 WeakPolarHBondContact O-CG1 3.22Å; F572-I576 PolarHBondContact O-N 3.02Å; A573-I576 PolarHBondContact O-N 3.34Å; D574-I576 PolarHBondContact O-N 3.3Å; I576-L578 VanDerWaalsContact C-N 3.33Å; I576-L578 PolarHBondContact O-N 3.27Å; I576-A579 CarbonylContact O-C 3.41Å; I576-A579 VanDerWaalsContact O-C 3.24Å; I576-A579 PolarHBondContact O-N 2.67Å; I576-P580 WeakPolarHBondContact O-CA 3.14Å; I576-A585 HydrophobicContact CG1-CB 3.66Å; I576-Y586 HydrophobicContact CD1-CD1 3.96Å; I576-Y586 HydrophobicContact CD1-CE1 4.03Å; I576-Y586 HydrophobicContact CD1-CG 4.35Å; I576-Y586 HydrophobicContact CG1-CE1 4.49Å; I576-Y586 HydrophobicContact CG1-CE2 4.5Å; I576-Y586 HydrophobicContact CG2-CE1 4.05Å; I576-Y586 HydrophobicContact CG2-CE2 4.07Å; I576-R589 HydrophobicContact CD1-CB 4.37Å
577	T	96.5	Very high	95	Very high	112 Å²	112	34.3 Å²	34.3	69%	0.687	19%	0.188	S	C	*	.	H	α-helix	trans	-64.6	-38.8	177.5	-56.2	0	0	0	0	111.6	A573 D574 L575	A573-T577 PolarHBondContact O-N 3.49Å; A573-T577 PolarHBondContact O-OG1 2.89Å; D574-T577 WeakPolarHBondContact O-CA 3.37Å; D574-T577 WeakPolarHBondContact O-CB 2.7Å; D574-T577 PolarHBondContact O-N 2.9Å; D574-T577 VanDerWaalsContact O-N 3.07Å; L575-T577 VanDerWaalsContact C-N 3.31Å
578	L	92.6	Very high	94.8	Very high	63 Å²	63	33 Å²	33	33%	0.33	18%	0.182	S	C	.	.	H	α-helix	trans	-73.4	-32.8	177.6	-67.5	169.9	0	0	0	113	P546 L549 D574 L575 I576	P546-L578 VanDerWaalsContact O-CD1 3.31Å; P546-L578 WeakPolarHBondContact O-CD1 3.42Å; L549-L578 HydrophobicContact CD2-CB 3.56Å; L549-L578 HydrophobicContact CD2-CD1 4.22Å; D574-L578 WeakPolarHBondContact O-CG 3.36Å; D574-L578 PolarHBondContact O-N 2.92Å; L575-L578 PolarHBondContact O-N 3.18Å; I576-L578 VanDerWaalsContact C-N 3.33Å; I576-L578 PolarHBondContact O-N 3.27Å
579	A	92	Very high	94.8	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	19%	0.191	C	C	.	.			trans	-138.2	72.5	-178.1	0	0	0	0	0	111.6	L549 L575 I576 D581 S582	L549-A579 HydrophobicContact CD1-CB 4.1Å; L549-A579 HydrophobicContact CD2-CB 3.92Å; L575-A579 PolarHBondContact O-N 3.41Å; I576-A579 CarbonylContact O-C 3.41Å; I576-A579 VanDerWaalsContact O-C 3.24Å; I576-A579 PolarHBondContact O-N 2.67Å; A579-D581 PolarHBondContact O-N 3.46Å; A579-D581 VanDerWaalsContact O-N 3.13Å; A579-S582 VanDerWaalsContact O-CB 3.31Å; A579-S582 WeakPolarHBondContact O-CB 3.49Å; A579-S582 PolarHBondContact O-N 2.92Å
580	P	95.4	Very high	94.7	Very high	70 Å²	70	34 Å²	34	46%	0.455	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12	-173.8	27.9	-36.4	0	0	0	113.9	I576 K613	I576-P580 WeakPolarHBondContact O-CA 3.14Å; P580-K613 WeakPolarHBondContact O-CG 3.37Å
581	D	94	Very high	94.6	Very high	49 Å²	49	30.7 Å²	30.7	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.2	175.4	69.2	-13.9	0	0	0	112.8	S208 R211 A579	S208-D581 WeakPolarHBondContact CB-O 3.19Å; S208-D581 WeakPolarHBondContact CB-OD1 3.41Å; S208-D581 PolarHBondContact OG-OD1 3.49Å; R211-D581 IonicContact CZ-OD1 2.73Å; R211-D581 IonicContact CZ-OD2 2.88Å; R211-D581 VanDerWaalsContact CZ-OD2 3.32Å; R211-D581 IonicContact NH1-OD2 2.78Å; R211-D581 PolarHBondContact NH1-OD2 3.43Å; R211-D581 IonicContact NH2-OD1 3.32Å; R211-D581 PolarHBondContact NH2-OD1 2.91Å; R211-D581 IonicContact NH2-OD2 2.82Å; R211-D581 PolarHBondContact NH2-OD2 3.07Å; A579-D581 PolarHBondContact O-N 3.46Å; A579-D581 VanDerWaalsContact O-N 3.13Å
582	S	91.8	Very high	94.6	Very high	24 Å²	24	30.2 Å²	30.2	17%	0.168	17%	0.169	C	C	.	.			trans	-95	106.7	-178	-169.3	0	0	0	0	111.4	S208 A579 L584 A585 Y586	S208-S582 WeakPolarHBondContact OG-CA 3.38Å; S208-S582 WeakPolarHBondContact OG-CB 3.35Å; A579-S582 VanDerWaalsContact O-CB 3.31Å; A579-S582 WeakPolarHBondContact O-CB 3.49Å; A579-S582 PolarHBondContact O-N 2.92Å; S582-L584 PolarHBondContact O-N 3.01Å; S582-A585 PolarHBondContact O-N 3.48Å; S582-Y586 WeakPolarHBondContact O-CD2 3.37Å
583	G	92.3	Very high	94.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-30.5	175.6	0	0	0	0	0	113.1	A585 Y586 A587 C617 I620	G583-A585 VanDerWaalsContact C-N 3.32Å; G583-A585 PolarHBondContact O-N 3.34Å; G583-Y586 PolarHBondContact O-N 2.97Å; G583-A587 WeakPolarHBondContact O-CB 3.33Å; G583-A587 PolarHBondContact O-N 3.02Å; G583-C617 VanDerWaalsContact C-SG 3.57Å; G583-I620 WeakPolarHBondContact O-CD1 3.35Å
584	L	91.7	Very high	94.3	Very high	24 Å²	24	31 Å²	31	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-38.2	178.9	-71.1	176.1	0	0	0	112.6	S582 Y586 A587 H588 L619	S582-L584 PolarHBondContact O-N 3.01Å; L584-Y586 VanDerWaalsContact C-N 3.32Å; L584-Y586 PolarHBondContact O-N 3.37Å; L584-A587 PolarHBondContact O-N 3.02Å; L584-H588 PolarHBondContact O-CD2 2.83Å; L584-H588 PolarHBondContact O-N 3.06Å; L584-L619 HydrophobicContact CD2-CB 4.17Å; L584-L619 HydrophobicContact CD2-CD2 3.97Å
585	A	91.8	Very high	94.1	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-41.3	179.1	0	0	0	0	0	111.4	L575 I576 S582 G583 R589	L575-A585 HydrophobicContact CD2-CB 4Å; L575-A585 HydrophobicContact CG-CB 3.96Å; I576-A585 HydrophobicContact CG1-CB 3.66Å; S582-A585 PolarHBondContact O-N 3.48Å; G583-A585 VanDerWaalsContact C-N 3.32Å; G583-A585 PolarHBondContact O-N 3.34Å; A585-R589 WeakPolarHBondContact O-CB 3.49Å; A585-R589 PolarHBondContact O-N 3.38Å; A585-R589 VanDerWaalsContact O-N 3.16Å
586	Y	97.1	Very high	94.1	Very high	8 Å²	8	35 Å²	35	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-67.7	-44.8	174.1	-70.3	-84.3	0	0	0	112.6	I576 S582 G583 L584 H588 R589 G590 F606 E609 K613	I576-Y586 HydrophobicContact CD1-CD1 3.96Å; I576-Y586 HydrophobicContact CD1-CE1 4.03Å; I576-Y586 HydrophobicContact CD1-CG 4.35Å; I576-Y586 HydrophobicContact CG1-CE1 4.49Å; I576-Y586 HydrophobicContact CG1-CE2 4.5Å; I576-Y586 HydrophobicContact CG2-CE1 4.05Å; I576-Y586 HydrophobicContact CG2-CE2 4.07Å; S582-Y586 WeakPolarHBondContact O-CD2 3.37Å; G583-Y586 PolarHBondContact O-N 2.97Å; L584-Y586 VanDerWaalsContact C-N 3.32Å; L584-Y586 PolarHBondContact O-N 3.37Å; Y586-H588 VanDerWaalsContact C-N 3.34Å; Y586-H588 PolarHBondContact O-N 2.73Å; Y586-R589 PolarHBondContact O-N 3.13Å; Y586-G590 PolarHBondContact O-N 3.38Å; Y586-F606 HydrophobicContact CD1-CD1 4.29Å; Y586-E609 HydrophobicContact CD1-CB 4.23Å; Y586-E609 HydrophobicContact CD1-CG 4.26Å; Y586-E609 HydrophobicContact CE1-CB 4.16Å; Y586-E609 HydrophobicContact CE1-CG 3.69Å; Y586-E609 WeakPolarHBondContact CE1-OE1 3.45Å; Y586-E609 PolarHBondContact OH-OE1 2.95Å; Y586-K613 HydrophobicContact CE2-CB 4.19Å; Y586-K613 HydrophobicContact CE2-CG 3.81Å
587	A	95	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.6	-47.9	177.5	0	0	0	0	0	111.3	G583 L584 R589 G590 L591 F607 L619 I620 L623	G583-A587 WeakPolarHBondContact O-CB 3.33Å; G583-A587 PolarHBondContact O-N 3.02Å; L584-A587 PolarHBondContact O-N 3.02Å; A587-R589 PolarHBondContact O-N 3.14Å; A587-G590 PolarHBondContact O-N 3.11Å; A587-L591 WeakPolarHBondContact O-CB 3.2Å; A587-L591 WeakPolarHBondContact O-CG 3.24Å; A587-L591 PolarHBondContact O-N 3.46Å; A587-F607 WeakPolarHBondContact O-CE1 3.32Å; A587-L619 HydrophobicContact CB-CD2 3.84Å; A587-L619 HydrophobicContact CB-CG 4.09Å; A587-I620 HydrophobicContact CB-CG1 3.72Å; A587-L623 HydrophobicContact CB-CD1 4.17Å
588	H	93.5	Very high	93.6	Very high	34 Å²	34	41.1 Å²	41.1	16%	0.157	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-38.3	179.5	-74	-54.5	0	0	0	113.3	I8 F572 L584 Y586 L591 L592	I8-H588 WeakPolarHBondContact CD1-CE1 3.47Å; I8-H588 VanDerWaalsContact CD1-NE2 3.27Å; I8-H588 WeakPolarHBondContact CD1-NE2 3.1Å; F572-H588 HydrophobicContact CD1-CB 3.95Å; F572-H588 HydrophobicContact CE1-CB 3.37Å; F572-H588 HydrophobicContact CZ-CB 3.71Å; L584-H588 PolarHBondContact O-CD2 2.83Å; L584-H588 PolarHBondContact O-N 3.06Å; Y586-H588 VanDerWaalsContact C-N 3.34Å; Y586-H588 PolarHBondContact O-N 2.73Å; H588-L591 PolarHBondContact O-N 3.41Å; H588-L592 PolarHBondContact O-N 3.07Å
589	R	96.3	Very high	93.6	Very high	50 Å²	50	41 Å²	41	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-36.5	175.9	-162.3	173.2	-179.9	-163	0.1	112.5	D569 F572 I576 A585 Y586 A587 L592 Q593 F606	D569-R589 IonicContact OD1-CZ 3.15Å; D569-R589 IonicContact OD1-NE 3.15Å; D569-R589 PolarHBondContact OD1-NE 2.98Å; D569-R589 IonicContact OD1-NH2 2.86Å; D569-R589 PolarHBondContact OD1-NH2 2.93Å; D569-R589 IonicContact OD2-NH2 3.84Å; D569-R589 PolarHBondContact OD2-NH2 2.77Å; D569-R589 VanDerWaalsContact OD2-NH2 3.15Å; F572-R589 HydrophobicContact CB-CB 3.99Å; F572-R589 HydrophobicContact CB-CG 3.91Å; F572-R589 HydrophobicContact CG-CB 4.37Å; I576-R589 HydrophobicContact CD1-CB 4.37Å; A585-R589 WeakPolarHBondContact O-CB 3.49Å; A585-R589 PolarHBondContact O-N 3.38Å; A585-R589 VanDerWaalsContact O-N 3.16Å; Y586-R589 PolarHBondContact O-N 3.13Å; A587-R589 PolarHBondContact O-N 3.14Å; R589-L592 WeakPolarHBondContact O-CB 3.32Å; R589-L592 PolarHBondContact O-N 3.44Å; R589-Q593 PolarHBondContact O-N 2.82Å; R589-F606 HydrophobicContact CG-CD2 4.48Å; R589-F606 HydrophobicContact CG-CE1 4.19Å; R589-F606 HydrophobicContact CG-CE2 4.15Å; R589-F606 HydrophobicContact CG-CZ 4Å
590	G	95.9	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-44.6	173	0	0	0	0	0	112.5	Y586 A587 L592 Q593 L594 A603	Y586-G590 PolarHBondContact O-N 3.38Å; A587-G590 PolarHBondContact O-N 3.11Å; G590-L592 VanDerWaalsContact C-N 3.26Å; G590-L592 PolarHBondContact O-N 2.99Å; G590-Q593 WeakPolarHBondContact O-CB 3.42Å; G590-Q593 PolarHBondContact O-N 3.33Å; G590-L594 PolarHBondContact O-N 2.74Å; G590-A603 WeakPolarHBondContact O-CB 3.27Å
591	L	95.4	Very high	93.4	Very high	58 Å²	58	48 Å²	48	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-56.9	-39.2	172	-80.9	173.4	0	0	0	112.3	A587 H588 Q593 L594 K595 L623	A587-L591 WeakPolarHBondContact O-CB 3.2Å; A587-L591 WeakPolarHBondContact O-CG 3.24Å; A587-L591 PolarHBondContact O-N 3.46Å; H588-L591 PolarHBondContact O-N 3.41Å; L591-Q593 VanDerWaalsContact C-N 3.33Å; L591-Q593 PolarHBondContact O-N 3.27Å; L591-L594 HydrophobicContact CD2-CD1 4.4Å; L591-L594 PolarHBondContact O-N 2.89Å; L591-K595 PolarHBondContact O-N 3.46Å; L591-L623 HydrophobicContact CD1-CD1 3.99Å; L591-L623 HydrophobicContact CD1-CD2 4.44Å; L591-L623 HydrophobicContact CD2-CD1 4.16Å; L591-L623 HydrophobicContact CD2-CD2 3.53Å; L591-L623 HydrophobicContact CG-CD1 3.82Å; L591-L623 HydrophobicContact CG-CD2 4.14Å
592	L	95.1	Very high	93.4	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-40	173.5	172.6	61.8	0	0	0	111.8	F565 D569 F572 H588 R589 G590 L594 K595 W596	F565-L592 HydrophobicContact CB-CD1 4.11Å; F565-L592 HydrophobicContact CD1-CD1 3.53Å; F565-L592 HydrophobicContact CE1-CD1 4.38Å; F565-L592 HydrophobicContact CG-CD1 4.23Å; D569-L592 VanDerWaalsContact CA-CD2 3.48Å; D569-L592 HydrophobicContact CB-CD2 3.74Å; F572-L592 HydrophobicContact CD2-CB 4.4Å; F572-L592 HydrophobicContact CD2-CD2 3.69Å; F572-L592 HydrophobicContact CE2-CB 4.26Å; F572-L592 HydrophobicContact CE2-CD2 4.06Å; H588-L592 PolarHBondContact O-N 3.07Å; R589-L592 WeakPolarHBondContact O-CB 3.32Å; R589-L592 PolarHBondContact O-N 3.44Å; G590-L592 VanDerWaalsContact C-N 3.26Å; G590-L592 PolarHBondContact O-N 2.99Å; L592-L594 PolarHBondContact O-N 3.34Å; L592-K595 PolarHBondContact O-N 2.88Å; L592-W596 HydrophobicContact CD1-CB 4.18Å; L592-W596 WeakPolarHBondContact O-CB 3.39Å; L592-W596 PolarHBondContact O-N 3.36Å
593	Q	96.5	Very high	93.6	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-39.4	177	-59.7	-49.6	-54.4	0	0	112.2	D569 R589 G590 L591 K595 K597 Q598 D599 A602 A603 F606	D569-Q593 PolarHBondContact OD1-NE2 3.47Å; R589-Q593 PolarHBondContact O-N 2.82Å; G590-Q593 WeakPolarHBondContact O-CB 3.42Å; G590-Q593 PolarHBondContact O-N 3.33Å; L591-Q593 VanDerWaalsContact C-N 3.33Å; L591-Q593 PolarHBondContact O-N 3.27Å; Q593-K595 VanDerWaalsContact C-N 3.34Å; Q593-K595 PolarHBondContact O-N 2.88Å; Q593-K597 PolarHBondContact O-N 3.14Å; Q593-Q598 PolarHBondContact O-N 3.2Å; Q593-Q598 VanDerWaalsContact O-N 3.1Å; Q593-D599 PolarHBondContact O-N 2.86Å; Q593-A602 HydrophobicContact CB-CB 4.23Å; Q593-A602 HydrophobicContact CG-CB 4.05Å; Q593-A603 HydrophobicContact CB-CB 4.36Å; Q593-F606 HydrophobicContact CG-CD2 3.95Å; Q593-F606 HydrophobicContact CG-CE2 3.74Å
594	L	92.5	Very high	93.7	Very high	46 Å²	46	47.4 Å²	47.4	24%	0.241	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-42.8	174	-62.7	178.1	0	0	0	111.4	G590 L591 L592 Q598 R600 A603 F607	G590-L594 PolarHBondContact O-N 2.74Å; L591-L594 HydrophobicContact CD2-CD1 4.4Å; L591-L594 PolarHBondContact O-N 2.89Å; L592-L594 PolarHBondContact O-N 3.34Å; L594-Q598 VanDerWaalsContact O-CA 3.25Å; L594-Q598 WeakPolarHBondContact O-CA 3.25Å; L594-Q598 PolarHBondContact O-N 3.44Å; L594-R600 HydrophobicContact CD2-CB 4.33Å; L594-R600 HydrophobicContact CD2-CG 3.84Å; L594-A603 HydrophobicContact CD1-CB 4.2Å; L594-A603 HydrophobicContact CD2-CB 3.46Å; L594-A603 VanDerWaalsContact CD2-CB 3.46Å; L594-A603 HydrophobicContact CG-CB 3.51Å; L594-F607 HydrophobicContact CD1-CE2 4.43Å; L594-F607 HydrophobicContact CD1-CZ 4.31Å
595	K	91.6	Very high	94	Very high	78 Å²	78	50.3 Å²	50.3	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-73	-43	-179.3	-170.4	177.7	-176.8	-172.8	0	113	W15 S560 F565 L591 L592 Q593	W15-K595 HydrophobicContact CH2-CD 4.25Å; S560-K595 PolarHBondContact O-NZ 3.47Å; F565-K595 HydrophobicContact CE1-CD 3.95Å; F565-K595 HydrophobicContact CE1-CG 3.98Å; F565-K595 HydrophobicContact CZ-CG 4.25Å; L591-K595 PolarHBondContact O-N 3.46Å; L592-K595 PolarHBondContact O-N 2.88Å; Q593-K595 VanDerWaalsContact C-N 3.34Å; Q593-K595 PolarHBondContact O-N 2.88Å
596	W	93.2	Very high	94.3	Very high	89 Å²	89	51.8 Å²	51.8	34%	0.337	25%	0.249	S	C	.	.	H	α-helix	trans	-80.7	-56.9	-172.8	175.9	20.8	0	0	0	112.2	F565 K566 D569 L592	F565-W596 HydrophobicContact CB-CB 3.81Å; F565-W596 HydrophobicContact CB-CD2 3.47Å; F565-W596 VanDerWaalsContact CB-CD2 3.47Å; F565-W596 HydrophobicContact CB-CE3 4.02Å; F565-W596 HydrophobicContact CB-CG 3.34Å; F565-W596 HydrophobicContact CD1-CB 3.99Å; F565-W596 HydrophobicContact CD1-CG 4.38Å; F565-W596 HydrophobicContact CD2-CB 3.96Å; F565-W596 AromaticContact CD2-CD1 3.27Å; F565-W596 AromaticContact CD2-CG 3.69Å; F565-W596 HydrophobicContact CD2-CG 3.69Å; F565-W596 AromaticContact CD2-NE1 3.97Å; F565-W596 HydrophobicContact CE2-CB 4.5Å; F565-W596 HydrophobicContact CG-CB 3.66Å; F565-W596 AromaticContact CG-CD1 3.64Å; F565-W596 HydrophobicContact CG-CD2 4.24Å; F565-W596 AromaticContact CG-CG 3.57Å; F565-W596 HydrophobicContact CG-CG 3.57Å; K566-W596 HydrophobicContact CB-CH2 4.5Å; D569-W596 HydrophobicContact CB-CZ3 4.2Å; L592-W596 HydrophobicContact CD1-CB 4.18Å; L592-W596 WeakPolarHBondContact O-CB 3.39Å; L592-W596 PolarHBondContact O-N 3.36Å
597	K	92.5	Very high	94.3	Very high	109 Å²	109	51.4 Å²	51.4	47%	0.474	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-8.1	-171.1	-63.3	179.1	-173.3	158.3	0	113	Q593 D599	Q593-K597 PolarHBondContact O-N 3.14Å; K597-D599 HydrophobicContact CB-CB 3.77Å; K597-D599 PolarHBondContact O-N 3.26Å; K597-D599 VanDerWaalsContact O-N 3.16Å
598	Q	89.6	Confident	94.4	Very high	149 Å²	149	55.2 Å²	55.2	70%	0.696	27%	0.267	S	S	*	.			trans	53.7	27.7	-167	-54.6	-180	13.2	0	0	111.7	Q593 L594 R600	Q593-Q598 PolarHBondContact O-N 3.2Å; Q593-Q598 VanDerWaalsContact O-N 3.1Å; L594-Q598 VanDerWaalsContact O-CA 3.25Å; L594-Q598 WeakPolarHBondContact O-CA 3.25Å; L594-Q598 PolarHBondContact O-N 3.44Å; Q598-R600 PolarHBondContact O-N 3.24Å
599	D	91.7	Very high	94.6	Very high	60 Å²	60	57.2 Å²	57.2	32%	0.321	28%	0.277	S	S	.	.			trans	-87.3	92.7	-176	-172.5	-17.3	0	0	0	109	Q593 K597 D601 A602 A603	Q593-D599 PolarHBondContact O-N 2.86Å; K597-D599 HydrophobicContact CB-CB 3.77Å; K597-D599 PolarHBondContact O-N 3.26Å; K597-D599 VanDerWaalsContact O-N 3.16Å; D599-D601 VanDerWaalsContact C-N 3.33Å; D599-D601 PolarHBondContact OD1-N 3.46Å; D599-A602 HydrophobicContact CB-CB 4.06Å; D599-A602 WeakPolarHBondContact OD1-CB 3.36Å; D599-A602 PolarHBondContact OD1-N 2.89Å; D599-A602 WeakPolarHBondContact OD2-CB 3.48Å; D599-A603 WeakPolarHBondContact O-CB 3.34Å; D599-A603 PolarHBondContact O-N 3.35Å; D599-A603 VanDerWaalsContact O-N 3.13Å
600	R	90.6	Very high	94.6	Very high	108 Å²	108	54.8 Å²	54.8	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-68.1	-32.4	-179.1	-71.3	-177.3	174.7	77.7	-0.7	112.7	L594 Q598 L604 E630	L594-R600 HydrophobicContact CD2-CB 4.33Å; L594-R600 HydrophobicContact CD2-CG 3.84Å; Q598-R600 PolarHBondContact O-N 3.24Å; R600-L604 VanDerWaalsContact O-CB 3.3Å; R600-L604 WeakPolarHBondContact O-CB 3.35Å; R600-L604 PolarHBondContact O-N 3.42Å; R600-E630 IonicContact CZ-OE2 2.66Å; R600-E630 IonicContact NE-OE2 3.91Å; R600-E630 PolarHBondContact NE-OE2 3.02Å; R600-E630 IonicContact NH2-OE2 3.89Å; R600-E630 PolarHBondContact NH2-OE2 3.33Å
601	D	92.7	Very high	94.6	Very high	112 Å²	112	56.5 Å²	56.5	60%	0.599	28%	0.276	S	S	*	.	H	α-helix	trans	-73.1	-42.7	-178.5	-68	-33.5	0	0	0	110.2	D599 A603 L604 C605	D599-D601 VanDerWaalsContact C-N 3.33Å; D599-D601 PolarHBondContact OD1-N 3.46Å; D601-A603 VanDerWaalsContact C-N 3.35Å; D601-A603 PolarHBondContact O-N 3.32Å; D601-L604 PolarHBondContact O-N 2.88Å; D601-C605 PolarHBondContact O-N 2.97Å; D601-C605 PolarHBondContact O-SG 3.34Å; D601-C605 VanDerWaalsContact O-SG 3.36Å
602	A	94.8	Very high	94.7	Very high	22 Å²	22	60.6 Å²	60.6	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-42.7	172.5	0	0	0	0	0	112.1	Q593 D599 L604 C605 F606	Q593-A602 HydrophobicContact CB-CB 4.23Å; Q593-A602 HydrophobicContact CG-CB 4.05Å; D599-A602 HydrophobicContact CB-CB 4.06Å; D599-A602 WeakPolarHBondContact OD1-CB 3.36Å; D599-A602 PolarHBondContact OD1-N 2.89Å; D599-A602 WeakPolarHBondContact OD2-CB 3.48Å; A602-L604 VanDerWaalsContact C-N 3.35Å; A602-L604 PolarHBondContact O-N 3.41Å; A602-C605 PolarHBondContact O-N 2.68Å; A602-F606 WeakPolarHBondContact O-CD2 3.4Å; A602-F606 PolarHBondContact O-N 3.44Å
603	A	95.1	Very high	94.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-45.5	175.6	0	0	0	0	0	111.9	G590 Q593 L594 D599 D601 C605 F606 F607	G590-A603 WeakPolarHBondContact O-CB 3.27Å; Q593-A603 HydrophobicContact CB-CB 4.36Å; L594-A603 HydrophobicContact CD1-CB 4.2Å; L594-A603 HydrophobicContact CD2-CB 3.46Å; L594-A603 VanDerWaalsContact CD2-CB 3.46Å; L594-A603 HydrophobicContact CG-CB 3.51Å; D599-A603 WeakPolarHBondContact O-CB 3.34Å; D599-A603 PolarHBondContact O-N 3.35Å; D599-A603 VanDerWaalsContact O-N 3.13Å; D601-A603 VanDerWaalsContact C-N 3.35Å; D601-A603 PolarHBondContact O-N 3.32Å; A603-C605 VanDerWaalsContact C-N 3.35Å; A603-C605 PolarHBondContact O-N 2.95Å; A603-F606 PolarHBondContact O-N 2.88Å; A603-F607 HydrophobicContact CB-CE2 4.15Å; A603-F607 HydrophobicContact CB-CZ 4.24Å; A603-F607 WeakPolarHBondContact O-CD1 3.16Å; A603-F607 WeakPolarHBondContact O-CD2 3.39Å; A603-F607 WeakPolarHBondContact O-CG 3.31Å; A603-F607 PolarHBondContact O-N 3.28Å
604	L	95.4	Very high	94.7	Very high	38 Å²	38	65.6 Å²	65.6	20%	0.199	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-41.8	177.1	-179.3	61.6	0	0	0	112.1	R600 D601 A602 F606 F607 I608 L624 L627	R600-L604 VanDerWaalsContact O-CB 3.3Å; R600-L604 WeakPolarHBondContact O-CB 3.35Å; R600-L604 PolarHBondContact O-N 3.42Å; D601-L604 PolarHBondContact O-N 2.88Å; A602-L604 VanDerWaalsContact C-N 3.35Å; A602-L604 PolarHBondContact O-N 3.41Å; L604-F606 VanDerWaalsContact C-N 3.35Å; L604-F606 PolarHBondContact O-N 2.71Å; L604-F607 PolarHBondContact O-N 3.02Å; L604-I608 HydrophobicContact CD1-CD1 3.95Å; L604-I608 HydrophobicContact CD1-CG1 4.13Å; L604-I608 HydrophobicContact CD2-CD1 4.49Å; L604-I608 HydrophobicContact CG-CD1 3.82Å; L604-I608 HydrophobicContact CG-CG1 4.4Å; L604-I608 WeakPolarHBondContact O-CG1 3.37Å; L604-I608 PolarHBondContact O-N 3.28Å; L604-L624 HydrophobicContact CD1-CD2 3.34Å; L604-L627 HydrophobicContact CB-CD1 4.43Å; L604-L627 HydrophobicContact CD1-CD1 4.5Å
605	C	97.3	Very high	94.8	Very high	84 Å²	84	67.1 Å²	67.1	57%	0.568	33%	0.329	S	S	*	.	H	α-helix	trans	-57.7	-46.4	174.8	-72.1	0	0	0	0	111.9	D601 A602 A603 F607 I608 E609	D601-C605 PolarHBondContact O-N 2.97Å; D601-C605 PolarHBondContact O-SG 3.34Å; D601-C605 VanDerWaalsContact O-SG 3.36Å; A602-C605 PolarHBondContact O-N 2.68Å; A603-C605 VanDerWaalsContact C-N 3.35Å; A603-C605 PolarHBondContact O-N 2.95Å; C605-F607 PolarHBondContact O-N 3.45Å; C605-I608 PolarHBondContact O-N 3.44Å; C605-E609 WeakPolarHBondContact O-CB 3.34Å; C605-E609 PolarHBondContact O-N 2.8Å
606	F	97.8	Very high	94.9	Very high	33 Å²	33	66.3 Å²	66.3	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-40.4	176.7	-76.4	-60.6	0	0	0	112.4	Y586 R589 Q593 A602 A603 L604 E609 G610	Y586-F606 HydrophobicContact CD1-CD1 4.29Å; R589-F606 HydrophobicContact CG-CD2 4.48Å; R589-F606 HydrophobicContact CG-CE1 4.19Å; R589-F606 HydrophobicContact CG-CE2 4.15Å; R589-F606 HydrophobicContact CG-CZ 4Å; Q593-F606 HydrophobicContact CG-CD2 3.95Å; Q593-F606 HydrophobicContact CG-CE2 3.74Å; A602-F606 WeakPolarHBondContact O-CD2 3.4Å; A602-F606 PolarHBondContact O-N 3.44Å; A603-F606 PolarHBondContact O-N 2.88Å; L604-F606 VanDerWaalsContact C-N 3.35Å; L604-F606 PolarHBondContact O-N 2.71Å; F606-E609 PolarHBondContact O-N 2.79Å; F606-G610 PolarHBondContact O-N 2.78Å
607	F	97.5	Very high	94.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-44.3	177.5	-61.9	-19.6	0	0	0	112	A587 L594 A603 L604 C605 G610 I611 I620 L623 L624 L627	A587-F607 WeakPolarHBondContact O-CE1 3.32Å; L594-F607 HydrophobicContact CD1-CE2 4.43Å; L594-F607 HydrophobicContact CD1-CZ 4.31Å; A603-F607 HydrophobicContact CB-CE2 4.15Å; A603-F607 HydrophobicContact CB-CZ 4.24Å; A603-F607 WeakPolarHBondContact O-CD1 3.16Å; A603-F607 WeakPolarHBondContact O-CD2 3.39Å; A603-F607 WeakPolarHBondContact O-CG 3.31Å; A603-F607 PolarHBondContact O-N 3.28Å; L604-F607 PolarHBondContact O-N 3.02Å; C605-F607 PolarHBondContact O-N 3.45Å; F607-G610 PolarHBondContact O-N 3.41Å; F607-I611 PolarHBondContact O-N 3.24Å; F607-I620 HydrophobicContact CB-CG2 3.73Å; F607-I620 HydrophobicContact CG-CG2 4.33Å; F607-I620 WeakPolarHBondContact O-CG2 2.99Å; F607-L623 HydrophobicContact CD1-CD1 4.37Å; F607-L623 HydrophobicContact CD2-CB 4.16Å; F607-L623 HydrophobicContact CE1-CB 4.39Å; F607-L623 HydrophobicContact CE1-CD1 3.68Å; F607-L623 HydrophobicContact CE2-CB 3.79Å; F607-L623 HydrophobicContact CE2-CD1 4.44Å; F607-L623 HydrophobicContact CZ-CB 3.93Å; F607-L623 HydrophobicContact CZ-CD1 3.73Å; F607-L623 HydrophobicContact CZ-CG 4.29Å; F607-L624 HydrophobicContact CB-CD1 4.4Å; F607-L624 HydrophobicContact CB-CD2 3.61Å; F607-L624 HydrophobicContact CB-CG 3.9Å; F607-L624 HydrophobicContact CD2-CD2 4.07Å; F607-L624 HydrophobicContact CD2-CG 4.47Å; F607-L624 HydrophobicContact CG-CD2 4.34Å; F607-L627 HydrophobicContact CD2-CD1 3.79Å; F607-L627 HydrophobicContact CE2-CD1 3.66Å; F607-L627 HydrophobicContact CE2-CG 4.46Å
608	I	97.2	Very high	94.9	Very high	80 Å²	80	57.7 Å²	57.7	41%	0.41	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.9	-69.3	169.8	0	0	0	110.7	L604 C605 G610 I611 Q612	L604-I608 HydrophobicContact CD1-CD1 3.95Å; L604-I608 HydrophobicContact CD1-CG1 4.13Å; L604-I608 HydrophobicContact CD2-CD1 4.49Å; L604-I608 HydrophobicContact CG-CD1 3.82Å; L604-I608 HydrophobicContact CG-CG1 4.4Å; L604-I608 WeakPolarHBondContact O-CG1 3.37Å; L604-I608 PolarHBondContact O-N 3.28Å; C605-I608 PolarHBondContact O-N 3.44Å; I608-G610 VanDerWaalsContact C-N 3.34Å; I608-G610 PolarHBondContact O-N 3.45Å; I608-I611 PolarHBondContact O-N 3.41Å; I608-Q612 WeakPolarHBondContact O-CG 3.49Å; I608-Q612 PolarHBondContact O-N 3.17Å; I608-Q612 VanDerWaalsContact O-N 3.17Å
609	E	97.6	Very high	95.1	Very high	76 Å²	76	51.8 Å²	51.8	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-44.8	176.4	-168	-175.7	160.8	0	0	110.9	Y586 C605 F606 I611 Q612 K613	Y586-E609 HydrophobicContact CD1-CB 4.23Å; Y586-E609 HydrophobicContact CD1-CG 4.26Å; Y586-E609 HydrophobicContact CE1-CB 4.16Å; Y586-E609 HydrophobicContact CE1-CG 3.69Å; Y586-E609 WeakPolarHBondContact CE1-OE1 3.45Å; Y586-E609 PolarHBondContact OH-OE1 2.95Å; C605-E609 WeakPolarHBondContact O-CB 3.34Å; C605-E609 PolarHBondContact O-N 2.8Å; F606-E609 PolarHBondContact O-N 2.79Å; E609-I611 VanDerWaalsContact C-N 3.33Å; E609-I611 PolarHBondContact O-N 3.45Å; E609-Q612 WeakPolarHBondContact O-CB 3.3Å; E609-Q612 PolarHBondContact O-N 2.85Å; E609-Q612 VanDerWaalsContact O-N 3.07Å; E609-K613 WeakPolarHBondContact O-CG 3.39Å; E609-K613 PolarHBondContact O-N 2.84Å; E609-K613 VanDerWaalsContact O-N 3.08Å
610	G	96.9	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-37.4	179	0	0	0	0	0	113.6	F606 F607 I608 K613 D614	F606-G610 PolarHBondContact O-N 2.78Å; F607-G610 PolarHBondContact O-N 3.41Å; I608-G610 VanDerWaalsContact C-N 3.34Å; I608-G610 PolarHBondContact O-N 3.45Å; G610-K613 PolarHBondContact O-N 2.98Å; G610-D614 PolarHBondContact O-N 3.16Å
611	I	96	Very high	95.6	Very high	35 Å²	35	43.9 Å²	43.9	18%	0.179	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-36.5	173	-89.5	176	0	0	0	112.3	F607 I608 E609 K613 D614 P615 I620 H621 L624	F607-I611 PolarHBondContact O-N 3.24Å; I608-I611 PolarHBondContact O-N 3.41Å; E609-I611 VanDerWaalsContact C-N 3.33Å; E609-I611 PolarHBondContact O-N 3.45Å; I611-K613 PolarHBondContact O-N 3.29Å; I611-D614 CarbonylContact O-C 3.43Å; I611-P615 WeakPolarHBondContact O-CA 3.41Å; I611-P615 WeakPolarHBondContact O-CD 3.32Å; I611-P615 WeakPolarHBondContact O-CG 3.39Å; I611-P615 VanDerWaalsContact O-N 3.09Å; I611-I620 HydrophobicContact CD1-CB 4.43Å; I611-I620 HydrophobicContact CD1-CG2 3.72Å; I611-I620 HydrophobicContact CG1-CB 4.04Å; I611-I620 HydrophobicContact CG1-CD1 4.42Å; I611-I620 HydrophobicContact CG1-CG2 3.57Å; I611-H621 VanDerWaalsContact CD1-CE1 3.45Å; I611-H621 WeakPolarHBondContact CD1-CE1 3.45Å; I611-L624 HydrophobicContact CD1-CD1 3.21Å; I611-L624 HydrophobicContact CG1-CD1 4.39Å
612	Q	96.7	Very high	95.7	Very high	144 Å²	144	39.7 Å²	39.7	67%	0.673	21%	0.206	S	C	*	.	H	α-helix	trans	-64.8	-32.4	176.1	-68.8	173.8	-0.8	0	0	111.5	I608 E609	I608-Q612 WeakPolarHBondContact O-CG 3.49Å; I608-Q612 PolarHBondContact O-N 3.17Å; I608-Q612 VanDerWaalsContact O-N 3.17Å; E609-Q612 WeakPolarHBondContact O-CB 3.3Å; E609-Q612 PolarHBondContact O-N 2.85Å; E609-Q612 VanDerWaalsContact O-N 3.07Å
613	K	96.2	Very high	95.8	Very high	104 Å²	104	39.1 Å²	39.1	45%	0.452	20%	0.2	S	C	.	.	H	α-helix	trans	-81.4	-41.9	177.3	-60.9	-58.6	-177.1	-178.9	0	113.1	P580 Y586 E609 G610 I611	P580-K613 WeakPolarHBondContact O-CG 3.37Å; Y586-K613 HydrophobicContact CE2-CB 4.19Å; Y586-K613 HydrophobicContact CE2-CG 3.81Å; E609-K613 WeakPolarHBondContact O-CG 3.39Å; E609-K613 PolarHBondContact O-N 2.84Å; E609-K613 VanDerWaalsContact O-N 3.08Å; G610-K613 PolarHBondContact O-N 2.98Å; I611-K613 PolarHBondContact O-N 3.29Å
614	D	95.1	Very high	95.8	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.053	20%	0.202	C	C	.	.			trans	-134.6	86.8	178.9	-173.4	-5.3	0	0	0	110.8	S206 G610 I611 K616 C617	S206-D614 VanDerWaalsContact CB-CG 3.46Å; S206-D614 WeakPolarHBondContact CB-OD1 3.24Å; S206-D614 WeakPolarHBondContact CB-OD2 3.26Å; S206-D614 PolarHBondContact OG-OD1 2.89Å; S206-D614 PolarHBondContact OG-OD2 3.45Å; G610-D614 PolarHBondContact O-N 3.16Å; I611-D614 CarbonylContact O-C 3.43Å; D614-K616 PolarHBondContact O-N 2.95Å; D614-K616 PolarHBondContact OD1-N 3.47Å; D614-K616 VanDerWaalsContact OD1-N 3.07Å; D614-C617 HydrophobicContact CB-CB 4.18Å; D614-C617 WeakPolarHBondContact O-CB 3.36Å; D614-C617 PolarHBondContact O-N 3.42Å; D614-C617 VanDerWaalsContact O-N 3.1Å; D614-C617 PolarHBondContact OD1-N 2.85Å
615	P	95.7	Very high	95.8	Very high	79 Å²	79	37.7 Å²	37.7	51%	0.513	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.2	178.6	-21.9	32.5	0	0	0	114.5	I611 H621	I611-P615 WeakPolarHBondContact O-CA 3.41Å; I611-P615 WeakPolarHBondContact O-CD 3.32Å; I611-P615 WeakPolarHBondContact O-CG 3.39Å; I611-P615 VanDerWaalsContact O-N 3.09Å; P615-H621 PolarHBondContact O-NE2 3.46Å
616	K	93.2	Very high	95.5	Very high	60 Å²	60	37.1 Å²	37.1	26%	0.261	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	10	178.7	-67.5	-169.3	172.1	-161.1	0	112	E203 L204 D614 E618 Q647	E203-K616 IonicContact OE2-NZ 3.94Å; E203-K616 PolarHBondContact OE2-NZ 3.16Å; L204-K616 PolarHBondContact O-NZ 3.36Å; D614-K616 PolarHBondContact O-N 2.95Å; D614-K616 PolarHBondContact OD1-N 3.47Å; D614-K616 VanDerWaalsContact OD1-N 3.07Å; K616-E618 PolarHBondContact O-N 3.3Å; K616-Q647 HydrophobicContact CB-CG 4.48Å; K616-Q647 WeakPolarHBondContact O-CG 3.47Å
617	C	92.9	Very high	95.1	Very high	2 Å²	2	36 Å²	36	1%	0.014	18%	0.177	C	C	.	.			trans	-74.6	95.5	179	-163.4	0	0	0	0	111.7	G583 D614 L619 I620 H621	G583-C617 VanDerWaalsContact C-SG 3.57Å; D614-C617 HydrophobicContact CB-CB 4.18Å; D614-C617 WeakPolarHBondContact O-CB 3.36Å; D614-C617 PolarHBondContact O-N 3.42Å; D614-C617 VanDerWaalsContact O-N 3.1Å; D614-C617 PolarHBondContact OD1-N 2.85Å; C617-L619 VanDerWaalsContact C-N 3.32Å; C617-L619 PolarHBondContact O-N 3.11Å; C617-I620 HydrophobicContact CB-CB 4.33Å; C617-I620 HydrophobicContact CB-CD1 3.88Å; C617-I620 HydrophobicContact CB-CG1 4.03Å; C617-I620 PolarHBondContact O-N 3.15Å; C617-I620 VanDerWaalsContact O-N 3.15Å; C617-H621 PolarHBondContact O-N 3Å
618	E	92.2	Very high	94.8	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-45.8	-49.4	175.4	-173.3	-174.3	152.9	0	0	113.9	R5 K616 I620 H621 E622 A644 Q647 L657	R5-E618 IonicContact CZ-OE2 2.81Å; R5-E618 IonicContact NH1-OE2 2.77Å; R5-E618 PolarHBondContact NH1-OE2 3.46Å; R5-E618 IonicContact NH2-OE2 2.66Å; R5-E618 PolarHBondContact NH2-OE2 2.85Å; K616-E618 PolarHBondContact O-N 3.3Å; E618-I620 VanDerWaalsContact C-N 3.33Å; E618-I620 PolarHBondContact O-N 3.07Å; E618-H621 WeakPolarHBondContact O-CB 3.17Å; E618-H621 PolarHBondContact O-N 3.48Å; E618-H621 VanDerWaalsContact O-N 3.17Å; E618-E622 PolarHBondContact O-N 3.08Å; E618-A644 HydrophobicContact CG-CB 4.38Å; E618-Q647 HydrophobicContact CB-CB 3.88Å; E618-Q647 HydrophobicContact CG-CB 4.31Å; E618-Q647 VanDerWaalsContact OE2-O 3.08Å; E618-L657 HydrophobicContact CG-CD1 4.03Å
619	L	93.8	Very high	94.4	Very high	26 Å²	26	34 Å²	34	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-38.5	-177	179.9	60.6	0	0	0	111.9	L584 A587 C617 E622 L623	L584-L619 HydrophobicContact CD2-CB 4.17Å; L584-L619 HydrophobicContact CD2-CD2 3.97Å; A587-L619 HydrophobicContact CB-CD2 3.84Å; A587-L619 HydrophobicContact CB-CG 4.09Å; C617-L619 VanDerWaalsContact C-N 3.32Å; C617-L619 PolarHBondContact O-N 3.11Å; L619-E622 PolarHBondContact O-N 2.94Å; L619-L623 HydrophobicContact CD1-CD1 4.08Å; L619-L623 HydrophobicContact CD1-CG 4.15Å; L619-L623 HydrophobicContact CG-CD1 3.87Å; L619-L623 HydrophobicContact CG-CG 4.39Å; L619-L623 WeakPolarHBondContact O-CB 3.33Å; L619-L623 WeakPolarHBondContact O-CD1 3.14Å; L619-L623 WeakPolarHBondContact O-CG 3.36Å; L619-L623 PolarHBondContact O-N 3.38Å
620	I	95.5	Very high	93.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-41.5	177.9	-60	175.5	0	0	0	110.6	G583 A587 F607 I611 C617 E618 E622 L623 L624	G583-I620 WeakPolarHBondContact O-CD1 3.35Å; A587-I620 HydrophobicContact CB-CG1 3.72Å; F607-I620 HydrophobicContact CB-CG2 3.73Å; F607-I620 HydrophobicContact CG-CG2 4.33Å; F607-I620 WeakPolarHBondContact O-CG2 2.99Å; I611-I620 HydrophobicContact CD1-CB 4.43Å; I611-I620 HydrophobicContact CD1-CG2 3.72Å; I611-I620 HydrophobicContact CG1-CB 4.04Å; I611-I620 HydrophobicContact CG1-CD1 4.42Å; I611-I620 HydrophobicContact CG1-CG2 3.57Å; C617-I620 HydrophobicContact CB-CB 4.33Å; C617-I620 HydrophobicContact CB-CD1 3.88Å; C617-I620 HydrophobicContact CB-CG1 4.03Å; C617-I620 PolarHBondContact O-N 3.15Å; C617-I620 VanDerWaalsContact O-N 3.15Å; E618-I620 VanDerWaalsContact C-N 3.33Å; E618-I620 PolarHBondContact O-N 3.07Å; I620-E622 VanDerWaalsContact C-N 3.33Å; I620-E622 PolarHBondContact O-N 3.5Å; I620-L623 PolarHBondContact O-N 2.98Å; I620-L624 HydrophobicContact CG2-CD1 3.9Å; I620-L624 HydrophobicContact CG2-CG 4.09Å; I620-L624 WeakPolarHBondContact O-CB 3.31Å; I620-L624 WeakPolarHBondContact O-CG 3.28Å; I620-L624 PolarHBondContact O-N 2.82Å
621	H	97.1	Very high	93.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-60.4	-43.6	176	-77.9	-53	0	0	0	111.7	I611 P615 C617 E618 L623 G625 H640 M643 A644	I611-H621 VanDerWaalsContact CD1-CE1 3.45Å; I611-H621 WeakPolarHBondContact CD1-CE1 3.45Å; P615-H621 PolarHBondContact O-NE2 3.46Å; C617-H621 PolarHBondContact O-N 3Å; E618-H621 WeakPolarHBondContact O-CB 3.17Å; E618-H621 PolarHBondContact O-N 3.48Å; E618-H621 VanDerWaalsContact O-N 3.17Å; H621-L623 PolarHBondContact O-N 3.47Å; H621-G625 PolarHBondContact O-N 3.47Å; H621-H640 WeakPolarHBondContact CB-O 3.45Å; H621-H640 AromaticContact ND1-ND1 3.39Å; H621-H640 PolarHBondContact ND1-ND1 3.09Å; H621-H640 WeakPolarHBondContact O-CB 3.09Å; H621-M643 HydrophobicContact CB-CB 4.44Å; H621-M643 WeakPolarHBondContact CE1-CE 3.49Å; H621-M643 PolarHBondContact CE1-SD 3.09Å; H621-M643 WeakPolarHBondContact NE2-CE 3.45Å; H621-A644 HydrophobicContact CB-CB 3.78Å
622	E	96.4	Very high	92.5	Very high	23 Å²	23	38.5 Å²	38.5	11%	0.107	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-48.9	173.6	-173.8	-176.1	163	0	0	111.9	E618 L619 I620 L624 G625 Q626 F641 H656 L657 L660	E618-E622 PolarHBondContact O-N 3.08Å; L619-E622 PolarHBondContact O-N 2.94Å; I620-E622 VanDerWaalsContact C-N 3.33Å; I620-E622 PolarHBondContact O-N 3.5Å; E622-L624 PolarHBondContact O-N 3.25Å; E622-G625 WeakPolarHBondContact O-CA 3.41Å; E622-G625 PolarHBondContact O-N 2.68Å; E622-Q626 WeakPolarHBondContact O-CG 3.26Å; E622-Q626 PolarHBondContact O-N 3.24Å; E622-Q626 PolarHBondContact OE1-NE2 3.33Å; E622-F641 HydrophobicContact CG-CE1 4.35Å; E622-H656 IonicContact OE1-CD2 3.88Å; E622-H656 IonicContact OE1-CE1 3.78Å; E622-H656 IonicContact OE1-NE2 2.94Å; E622-H656 PolarHBondContact OE1-NE2 3Å; E622-H656 IonicContact OE2-NE2 3.3Å; E622-L657 HydrophobicContact CB-CD2 4.03Å; E622-L657 HydrophobicContact CG-CD2 3.96Å; E622-L660 HydrophobicContact CG-CD1 3.85Å
623	L	95.5	Very high	92.1	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-40.5	-177.4	-67.8	169.6	0	0	0	112.9	A587 L591 F607 L619 I620 H621 G625 Q626 L627	A587-L623 HydrophobicContact CB-CD1 4.17Å; L591-L623 HydrophobicContact CD1-CD1 3.99Å; L591-L623 HydrophobicContact CD1-CD2 4.44Å; L591-L623 HydrophobicContact CD2-CD1 4.16Å; L591-L623 HydrophobicContact CD2-CD2 3.53Å; L591-L623 HydrophobicContact CG-CD1 3.82Å; L591-L623 HydrophobicContact CG-CD2 4.14Å; F607-L623 HydrophobicContact CD1-CD1 4.37Å; F607-L623 HydrophobicContact CD2-CB 4.16Å; F607-L623 HydrophobicContact CE1-CB 4.39Å; F607-L623 HydrophobicContact CE1-CD1 3.68Å; F607-L623 HydrophobicContact CE2-CB 3.79Å; F607-L623 HydrophobicContact CE2-CD1 4.44Å; F607-L623 HydrophobicContact CZ-CB 3.93Å; F607-L623 HydrophobicContact CZ-CD1 3.73Å; F607-L623 HydrophobicContact CZ-CG 4.29Å; L619-L623 HydrophobicContact CD1-CD1 4.08Å; L619-L623 HydrophobicContact CD1-CG 4.15Å; L619-L623 HydrophobicContact CG-CD1 3.87Å; L619-L623 HydrophobicContact CG-CG 4.39Å; L619-L623 WeakPolarHBondContact O-CB 3.33Å; L619-L623 WeakPolarHBondContact O-CD1 3.14Å; L619-L623 WeakPolarHBondContact O-CG 3.36Å; L619-L623 PolarHBondContact O-N 3.38Å; I620-L623 PolarHBondContact O-N 2.98Å; H621-L623 PolarHBondContact O-N 3.47Å; L623-G625 VanDerWaalsContact C-N 3.35Å; L623-Q626 PolarHBondContact O-N 3.18Å; L623-L627 WeakPolarHBondContact O-CG 3.48Å; L623-L627 PolarHBondContact O-N 2.99Å
624	L	96.4	Very high	91.9	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-40.1	172.6	-73.3	175.9	0	0	0	111.5	L604 F607 I611 I620 E622 Q626 L627 S628 H640	L604-L624 HydrophobicContact CD1-CD2 3.34Å; F607-L624 HydrophobicContact CB-CD1 4.4Å; F607-L624 HydrophobicContact CB-CD2 3.61Å; F607-L624 HydrophobicContact CB-CG 3.9Å; F607-L624 HydrophobicContact CD2-CD2 4.07Å; F607-L624 HydrophobicContact CD2-CG 4.47Å; F607-L624 HydrophobicContact CG-CD2 4.34Å; I611-L624 HydrophobicContact CD1-CD1 3.21Å; I611-L624 HydrophobicContact CG1-CD1 4.39Å; I620-L624 HydrophobicContact CG2-CD1 3.9Å; I620-L624 HydrophobicContact CG2-CG 4.09Å; I620-L624 WeakPolarHBondContact O-CB 3.31Å; I620-L624 WeakPolarHBondContact O-CG 3.28Å; I620-L624 PolarHBondContact O-N 2.82Å; E622-L624 PolarHBondContact O-N 3.25Å; L624-Q626 VanDerWaalsContact C-N 3.33Å; L624-Q626 PolarHBondContact O-N 2.89Å; L624-L627 PolarHBondContact O-N 2.97Å; L624-S628 WeakPolarHBondContact O-CB 3.49Å; L624-S628 PolarHBondContact O-N 2.98Å; L624-S628 PolarHBondContact O-OG 3.04Å; L624-H640 VanDerWaalsContact CB-CD2 3.49Å; L624-H640 WeakPolarHBondContact CB-CD2 3.45Å
625	G	93.9	Very high	91.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.4	-49.4	173.6	0	0	0	0	0	111.5	H621 E622 L623 S628 V629 A637	H621-G625 PolarHBondContact O-N 3.47Å; E622-G625 WeakPolarHBondContact O-CA 3.41Å; E622-G625 PolarHBondContact O-N 2.68Å; L623-G625 VanDerWaalsContact C-N 3.35Å; G625-S628 PolarHBondContact O-N 3.38Å; G625-V629 WeakPolarHBondContact O-CG2 3.42Å; G625-V629 PolarHBondContact O-N 3.37Å; G625-A637 WeakPolarHBondContact O-CB 3.31Å
626	Q	92.7	Very high	91.9	Very high	71 Å²	71	36.7 Å²	36.7	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-61.1	-47	176.9	-69.4	172.8	4.5	0	0	112.5	E622 L623 L624 S628 V629 E630 F641	E622-Q626 WeakPolarHBondContact O-CG 3.26Å; E622-Q626 PolarHBondContact O-N 3.24Å; E622-Q626 PolarHBondContact OE1-NE2 3.33Å; L623-Q626 PolarHBondContact O-N 3.18Å; L624-Q626 VanDerWaalsContact C-N 3.33Å; L624-Q626 PolarHBondContact O-N 2.89Å; Q626-S628 VanDerWaalsContact C-N 3.31Å; Q626-S628 PolarHBondContact O-N 3.42Å; Q626-V629 WeakPolarHBondContact O-CB 3.33Å; Q626-V629 PolarHBondContact O-N 2.96Å; Q626-E630 PolarHBondContact O-N 3.49Å; Q626-F641 HydrophobicContact CG-CE1 4.47Å; Q626-F641 HydrophobicContact CG-CZ 4.3Å
627	L	89.5	Confident	91.9	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-35.6	176.4	-73.7	-175.2	0	0	0	112.6	L604 F607 L623 L624 E630 K631	L604-L627 HydrophobicContact CB-CD1 4.43Å; L604-L627 HydrophobicContact CD1-CD1 4.5Å; F607-L627 HydrophobicContact CD2-CD1 3.79Å; F607-L627 HydrophobicContact CE2-CD1 3.66Å; F607-L627 HydrophobicContact CE2-CG 4.46Å; L623-L627 WeakPolarHBondContact O-CG 3.48Å; L623-L627 PolarHBondContact O-N 2.99Å; L624-L627 PolarHBondContact O-N 2.97Å; L627-E630 PolarHBondContact O-N 3.14Å; L627-K631 WeakPolarHBondContact O-CG 3.46Å; L627-K631 PolarHBondContact O-N 2.89Å; L627-K631 VanDerWaalsContact O-N 3.13Å
628	S	91.1	Very high	92.2	Very high	11 Å²	11	34.8 Å²	34.8	8%	0.077	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-38	174.4	-71.8	0	0	0	0	111.8	L624 G625 Q626 K631 G632 Q633	L624-S628 WeakPolarHBondContact O-CB 3.49Å; L624-S628 PolarHBondContact O-N 2.98Å; L624-S628 PolarHBondContact O-OG 3.04Å; G625-S628 PolarHBondContact O-N 3.38Å; Q626-S628 VanDerWaalsContact C-N 3.31Å; Q626-S628 PolarHBondContact O-N 3.42Å; S628-K631 CarbonylContact O-C 3.34Å; S628-K631 PolarHBondContact O-N 3.21Å; S628-G632 PolarHBondContact O-N 2.92Å; S628-Q633 PolarHBondContact O-N 2.98Å
629	V	88.8	Confident	92.4	Very high	28 Å²	28	39.6 Å²	39.6	17%	0.17	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-45.9	172.3	174.2	0	0	0	0	111	G625 Q626 K631 G632 F634 A637 F641 V664	G625-V629 WeakPolarHBondContact O-CG2 3.42Å; G625-V629 PolarHBondContact O-N 3.37Å; Q626-V629 WeakPolarHBondContact O-CB 3.33Å; Q626-V629 PolarHBondContact O-N 2.96Å; V629-K631 PolarHBondContact O-N 3.37Å; V629-G632 PolarHBondContact O-N 3.48Å; V629-F634 HydrophobicContact CG1-CE1 4.23Å; V629-A637 HydrophobicContact CG2-CB 3.57Å; V629-F641 HydrophobicContact CG2-CE2 4.15Å; V629-V664 HydrophobicContact CG2-CG2 3.33Å
630	E	82.3	Confident	92.6	Very high	95 Å²	95	39.5 Å²	39.5	44%	0.444	20%	0.195	S	C	.	.	H	α-helix	trans	-58.9	-33.6	176.7	-70.5	-174.5	-167.3	0	0	112.5	R600 Q626 L627 G632 L682	R600-E630 IonicContact CZ-OE2 2.66Å; R600-E630 IonicContact NE-OE2 3.91Å; R600-E630 PolarHBondContact NE-OE2 3.02Å; R600-E630 IonicContact NH2-OE2 3.89Å; R600-E630 PolarHBondContact NH2-OE2 3.33Å; Q626-E630 PolarHBondContact O-N 3.49Å; L627-E630 PolarHBondContact O-N 3.14Å; E630-G632 VanDerWaalsContact C-N 3.29Å; E630-L682 VanDerWaalsContact O-CD1 3.28Å; E630-L682 WeakPolarHBondContact O-CD1 3.37Å
631	K	83.4	Confident	92.6	Very high	88 Å²	88	39.6 Å²	39.6	38%	0.383	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-2	176.1	-68.2	-179.1	-179.3	-172.1	0	113.7	L627 S628 V629 Q633	L627-K631 WeakPolarHBondContact O-CG 3.46Å; L627-K631 PolarHBondContact O-N 2.89Å; L627-K631 VanDerWaalsContact O-N 3.13Å; S628-K631 CarbonylContact O-C 3.34Å; S628-K631 PolarHBondContact O-N 3.21Å; V629-K631 PolarHBondContact O-N 3.37Å; K631-Q633 VanDerWaalsContact C-N 3.26Å; K631-Q633 HydrophobicContact CB-CG 4.04Å; K631-Q633 PolarHBondContact O-N 3.41Å
632	G	83.2	Confident	92.6	Very high	22 Å²	22	42.8 Å²	42.8	23%	0.227	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	15	-174.7	0	0	0	0	0	114.4	S628 V629 E630 F634	S628-G632 PolarHBondContact O-N 2.92Å; V629-G632 PolarHBondContact O-N 3.48Å; E630-G632 VanDerWaalsContact C-N 3.29Å; G632-F634 PolarHBondContact O-N 2.96Å
633	Q	90	Very high	92.5	Very high	102 Å²	102	45.4 Å²	45.4	48%	0.477	23%	0.226	S	C	.	.			trans	-90.4	63.9	-178.1	-63.5	175.8	-22.4	0	0	111	S628 K631 N635 E636 A637	S628-Q633 PolarHBondContact O-N 2.98Å; K631-Q633 VanDerWaalsContact C-N 3.26Å; K631-Q633 HydrophobicContact CB-CG 4.04Å; K631-Q633 PolarHBondContact O-N 3.41Å; Q633-N635 PolarHBondContact O-N 3.26Å; Q633-E636 HydrophobicContact CB-CB 4.27Å; Q633-E636 PolarHBondContact O-N 3.45Å; Q633-E636 VanDerWaalsContact O-N 3.08Å; Q633-A637 PolarHBondContact O-N 3.05Å
634	F	91.6	Very high	92.4	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-38.5	-170.8	-58.2	-41.1	0	0	0	114.6	V629 G632 E636 A637 L638 V664 L668 I678	V629-F634 HydrophobicContact CG1-CE1 4.23Å; G632-F634 PolarHBondContact O-N 2.96Å; F634-E636 PolarHBondContact O-N 3.41Å; F634-A637 WeakPolarHBondContact O-CB 3.45Å; F634-A637 PolarHBondContact O-N 2.97Å; F634-L638 WeakPolarHBondContact O-CB 3.36Å; F634-L638 VanDerWaalsContact O-CG 3.3Å; F634-L638 WeakPolarHBondContact O-CG 3.24Å; F634-L638 PolarHBondContact O-N 3.4Å; F634-V664 HydrophobicContact CB-CG1 3.69Å; F634-V664 HydrophobicContact CD1-CG1 3.83Å; F634-V664 HydrophobicContact CG-CG1 4.02Å; F634-L668 HydrophobicContact CB-CD1 4.27Å; F634-L668 HydrophobicContact CD2-CB 4.24Å; F634-L668 HydrophobicContact CD2-CD1 3.79Å; F634-L668 HydrophobicContact CG-CD1 4.49Å; F634-I678 HydrophobicContact CE1-CD1 4.15Å; F634-I678 HydrophobicContact CE2-CB 4.33Å; F634-I678 HydrophobicContact CE2-CD1 3.66Å; F634-I678 HydrophobicContact CE2-CG1 4.44Å; F634-I678 HydrophobicContact CZ-CB 3.78Å; F634-I678 HydrophobicContact CZ-CD1 3.19Å; F634-I678 HydrophobicContact CZ-CG1 4Å; F634-I678 HydrophobicContact CZ-CG2 3.84Å
635	N	94.2	Very high	92.2	Very high	113 Å²	113	44.8 Å²	44.8	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-62.5	-35.3	177.6	-68.7	-31	0	0	0	112.1	Q633 K639	Q633-N635 PolarHBondContact O-N 3.26Å; N635-K639 WeakPolarHBondContact O-CG 3.44Å; N635-K639 PolarHBondContact O-N 3.27Å
636	E	95.5	Very high	92	Very high	67 Å²	67	51.3 Å²	51.3	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-75.4	-38.9	176.3	-162.2	59.3	-156	0	0	111.2	Q633 F634 L638 K639 H640	Q633-E636 HydrophobicContact CB-CB 4.27Å; Q633-E636 PolarHBondContact O-N 3.45Å; Q633-E636 VanDerWaalsContact O-N 3.08Å; F634-E636 PolarHBondContact O-N 3.41Å; E636-L638 VanDerWaalsContact C-N 3.34Å; E636-L638 PolarHBondContact O-N 3.17Å; E636-K639 PolarHBondContact O-N 3.34Å; E636-K639 WeakPolarHBondContact OE2-CD 3.41Å; E636-K639 IonicContact OE2-NZ 2.67Å; E636-K639 PolarHBondContact OE2-NZ 3.31Å; E636-H640 PolarHBondContact O-CD2 3.21Å; E636-H640 PolarHBondContact O-N 2.79Å; E636-H640 VanDerWaalsContact O-N 3.08Å; E636-H640 IonicContact OE1-NE2 3.2Å
637	A	94.8	Very high	91.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-45.8	173.7	0	0	0	0	0	112.3	G625 V629 Q633 F634 K639 H640 F641 V664	G625-A637 WeakPolarHBondContact O-CB 3.31Å; V629-A637 HydrophobicContact CG2-CB 3.57Å; Q633-A637 PolarHBondContact O-N 3.05Å; F634-A637 WeakPolarHBondContact O-CB 3.45Å; F634-A637 PolarHBondContact O-N 2.97Å; A637-K639 PolarHBondContact O-N 3.23Å; A637-H640 PolarHBondContact O-N 3.12Å; A637-F641 HydrophobicContact CB-CD2 4.47Å; A637-F641 HydrophobicContact CB-CE2 4.15Å; A637-F641 WeakPolarHBondContact O-CD2 3.37Å; A637-F641 WeakPolarHBondContact O-CG 3.39Å; A637-F641 PolarHBondContact O-N 3.07Å; A637-V664 HydrophobicContact CB-CG1 4.43Å; A637-V664 HydrophobicContact CB-CG2 4.48Å
638	L	97.3	Very high	91.6	Very high	22 Å²	22	49.5 Å²	49.5	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-44.5	177.8	-71.6	171.4	0	0	0	111.8	F634 E636 H640 F641 D642 R661 V664 N665	F634-L638 WeakPolarHBondContact O-CB 3.36Å; F634-L638 VanDerWaalsContact O-CG 3.3Å; F634-L638 WeakPolarHBondContact O-CG 3.24Å; F634-L638 PolarHBondContact O-N 3.4Å; E636-L638 VanDerWaalsContact C-N 3.34Å; E636-L638 PolarHBondContact O-N 3.17Å; L638-H640 VanDerWaalsContact C-N 3.3Å; L638-H640 PolarHBondContact O-N 3.06Å; L638-F641 PolarHBondContact O-N 3.15Å; L638-D642 WeakPolarHBondContact O-CB 3.43Å; L638-D642 PolarHBondContact O-N 3.46Å; L638-R661 HydrophobicContact CD2-CG 3.7Å; L638-V664 HydrophobicContact CD1-CG1 4.37Å; L638-V664 HydrophobicContact CD2-CB 3.92Å; L638-V664 HydrophobicContact CD2-CG1 3.86Å; L638-V664 HydrophobicContact CG-CB 4.4Å; L638-V664 HydrophobicContact CG-CG1 3.78Å; L638-N665 WeakPolarHBondContact CD1-OD1 3.3Å; L638-N665 WeakPolarHBondContact CD2-OD1 3.15Å
639	K	97.4	Very high	90.9	Very high	115 Å²	115	50.9 Å²	50.9	50%	0.5	25%	0.25	S	C	.	.	H	α-helix	trans	-57	-45.7	175	-71.4	175.8	-160.2	162.8	0	111.6	N635 E636 A637 D642 M643	N635-K639 WeakPolarHBondContact O-CG 3.44Å; N635-K639 PolarHBondContact O-N 3.27Å; E636-K639 PolarHBondContact O-N 3.34Å; E636-K639 WeakPolarHBondContact OE2-CD 3.41Å; E636-K639 IonicContact OE2-NZ 2.67Å; E636-K639 PolarHBondContact OE2-NZ 3.31Å; A637-K639 PolarHBondContact O-N 3.23Å; K639-D642 PolarHBondContact O-N 2.96Å; K639-M643 VanDerWaalsContact O-CG 3.3Å; K639-M643 WeakPolarHBondContact O-CG 3.22Å; K639-M643 PolarHBondContact O-N 3.49Å
640	H	97.2	Very high	90.3	Very high	24 Å²	24	50.2 Å²	50.2	11%	0.111	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-42.5	179.3	-76.6	-42	0	0	0	112.3	H621 L624 E636 A637 L638 D642 M643 A644	H621-H640 WeakPolarHBondContact CB-O 3.45Å; H621-H640 AromaticContact ND1-ND1 3.39Å; H621-H640 PolarHBondContact ND1-ND1 3.09Å; H621-H640 WeakPolarHBondContact O-CB 3.09Å; L624-H640 VanDerWaalsContact CB-CD2 3.49Å; L624-H640 WeakPolarHBondContact CB-CD2 3.45Å; E636-H640 PolarHBondContact O-CD2 3.21Å; E636-H640 PolarHBondContact O-N 2.79Å; E636-H640 VanDerWaalsContact O-N 3.08Å; E636-H640 IonicContact OE1-NE2 3.2Å; A637-H640 PolarHBondContact O-N 3.12Å; L638-H640 VanDerWaalsContact C-N 3.3Å; L638-H640 PolarHBondContact O-N 3.06Å; H640-D642 VanDerWaalsContact C-N 3.34Å; H640-D642 PolarHBondContact O-N 3.4Å; H640-M643 WeakPolarHBondContact O-CB 3.45Å; H640-M643 PolarHBondContact O-N 3.39Å; H640-M643 VanDerWaalsContact O-N 3.16Å; H640-A644 PolarHBondContact O-N 3.23Å
641	F	97	Very high	90.2	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-39.1	174.2	-65.8	-44.6	0	0	0	112.4	E622 Q626 V629 A637 L638 M643 A644 I645 L660 R661 V664	E622-F641 HydrophobicContact CG-CE1 4.35Å; Q626-F641 HydrophobicContact CG-CE1 4.47Å; Q626-F641 HydrophobicContact CG-CZ 4.3Å; V629-F641 HydrophobicContact CG2-CE2 4.15Å; A637-F641 HydrophobicContact CB-CD2 4.47Å; A637-F641 HydrophobicContact CB-CE2 4.15Å; A637-F641 WeakPolarHBondContact O-CD2 3.37Å; A637-F641 WeakPolarHBondContact O-CG 3.39Å; A637-F641 PolarHBondContact O-N 3.07Å; L638-F641 PolarHBondContact O-N 3.15Å; F641-M643 VanDerWaalsContact C-N 3.3Å; F641-M643 PolarHBondContact O-N 3.33Å; F641-A644 PolarHBondContact O-N 3.1Å; F641-I645 WeakPolarHBondContact O-CB 3.33Å; F641-I645 WeakPolarHBondContact O-CG1 3.48Å; F641-I645 PolarHBondContact O-N 2.71Å; F641-L660 HydrophobicContact CD1-CB 4.12Å; F641-L660 HydrophobicContact CD1-CD1 4.33Å; F641-L660 HydrophobicContact CD2-CB 4.41Å; F641-L660 HydrophobicContact CE1-CB 3.93Å; F641-L660 HydrophobicContact CE1-CD1 3.8Å; F641-L660 HydrophobicContact CE1-CG 4.44Å; F641-L660 HydrophobicContact CE2-CB 4.21Å; F641-L660 HydrophobicContact CG-CB 4.38Å; F641-L660 HydrophobicContact CZ-CB 3.97Å; F641-L660 HydrophobicContact CZ-CD1 4.34Å; F641-R661 HydrophobicContact CB-CB 4.12Å; F641-V664 HydrophobicContact CD2-CG2 4.17Å; F641-V664 HydrophobicContact CE2-CG2 3.65Å
642	D	95.6	Very high	90.2	Very high	68 Å²	68	48 Å²	48	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-36.8	173.4	-73.4	-27.8	0	0	0	112.2	L638 K639 H640 K646 R661	L638-D642 WeakPolarHBondContact O-CB 3.43Å; L638-D642 PolarHBondContact O-N 3.46Å; K639-D642 PolarHBondContact O-N 2.96Å; H640-D642 VanDerWaalsContact C-N 3.34Å; H640-D642 PolarHBondContact O-N 3.4Å; D642-K646 WeakPolarHBondContact O-CG 3.47Å; D642-K646 PolarHBondContact O-N 3.35Å; D642-R661 WeakPolarHBondContact OD1-CD 3.17Å; D642-R661 IonicContact OD1-NH1 3.2Å
643	M	94.5	Very high	90.2	Very high	78 Å²	78	47.8 Å²	47.8	38%	0.384	23%	0.234	S	C	.	.	H	α-helix	trans	-68.3	-40.5	173.1	-70.1	-179.3	80.2	0	0	112.1	H621 K639 H640 F641 K646 Q647	H621-M643 HydrophobicContact CB-CB 4.44Å; H621-M643 WeakPolarHBondContact CE1-CE 3.49Å; H621-M643 PolarHBondContact CE1-SD 3.09Å; H621-M643 WeakPolarHBondContact NE2-CE 3.45Å; K639-M643 VanDerWaalsContact O-CG 3.3Å; K639-M643 WeakPolarHBondContact O-CG 3.22Å; K639-M643 PolarHBondContact O-N 3.49Å; H640-M643 WeakPolarHBondContact O-CB 3.45Å; H640-M643 PolarHBondContact O-N 3.39Å; H640-M643 VanDerWaalsContact O-N 3.16Å; F641-M643 VanDerWaalsContact C-N 3.3Å; F641-M643 PolarHBondContact O-N 3.33Å; M643-K646 PolarHBondContact O-N 3.29Å; M643-Q647 WeakPolarHBondContact O-CG 3.34Å
644	A	93.7	Very high	90.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-45.1	175.6	0	0	0	0	0	111.4	E618 H621 H640 F641 K646 Q647 A648 L657	E618-A644 HydrophobicContact CG-CB 4.38Å; H621-A644 HydrophobicContact CB-CB 3.78Å; H640-A644 PolarHBondContact O-N 3.23Å; F641-A644 PolarHBondContact O-N 3.1Å; A644-K646 VanDerWaalsContact C-N 3.25Å; A644-K646 PolarHBondContact O-N 3.12Å; A644-Q647 CarbonylContact O-C 3.41Å; A644-Q647 WeakPolarHBondContact O-CA 3.38Å; A644-Q647 PolarHBondContact O-N 2.98Å; A644-A648 PolarHBondContact O-N 2.85Å; A644-A648 VanDerWaalsContact O-N 3.09Å; A644-L657 HydrophobicContact CB-CD1 3.94Å; A644-L657 HydrophobicContact CB-CD2 3.73Å; A644-L657 HydrophobicContact CB-CG 4.39Å
645	I	92.8	Very high	90.2	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-40.5	177.7	-74	165.9	0	0	0	111.1	L200 F641 Q647 A648 L654 L657 I658 R661	L200-I645 HydrophobicContact CD2-CG2 4.07Å; L200-I645 WeakPolarHBondContact CD2-O 3.2Å; F641-I645 WeakPolarHBondContact O-CB 3.33Å; F641-I645 WeakPolarHBondContact O-CG1 3.48Å; F641-I645 PolarHBondContact O-N 2.71Å; I645-Q647 PolarHBondContact O-N 3.29Å; I645-A648 WeakPolarHBondContact O-CB 3.46Å; I645-A648 PolarHBondContact O-N 2.83Å; I645-L654 HydrophobicContact CG2-CD1 3.77Å; I645-L657 HydrophobicContact CG1-CB 3.67Å; I645-I658 HydrophobicContact CD1-CG1 3.81Å; I645-I658 HydrophobicContact CG1-CG1 4.16Å; I645-R661 HydrophobicContact CD1-CB 4.2Å
646	K	90	Very high	90.2	Very high	136 Å²	136	40.3 Å²	40.3	59%	0.591	20%	0.197	S	C	*	.	H	α-helix	trans	-62.6	-24.1	175.4	-71.5	172	-174.6	179.3	0	113.8	D642 M643 A644	D642-K646 WeakPolarHBondContact O-CG 3.47Å; D642-K646 PolarHBondContact O-N 3.35Å; M643-K646 PolarHBondContact O-N 3.29Å; A644-K646 VanDerWaalsContact C-N 3.25Å; A644-K646 PolarHBondContact O-N 3.12Å
647	Q	87.9	Confident	90.1	Very high	25 Å²	25	37.1 Å²	37.1	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-101.8	-3.7	-178.2	-55.8	-53.4	-49.4	0	0	113.2	K616 E618 M643 A644 I645 K649	K616-Q647 HydrophobicContact CB-CG 4.48Å; K616-Q647 WeakPolarHBondContact O-CG 3.47Å; E618-Q647 HydrophobicContact CB-CB 3.88Å; E618-Q647 HydrophobicContact CG-CB 4.31Å; E618-Q647 VanDerWaalsContact OE2-O 3.08Å; M643-Q647 WeakPolarHBondContact O-CG 3.34Å; A644-Q647 CarbonylContact O-C 3.41Å; A644-Q647 WeakPolarHBondContact O-CA 3.38Å; A644-Q647 PolarHBondContact O-N 2.98Å; I645-Q647 PolarHBondContact O-N 3.29Å; Q647-K649 WeakPolarHBondContact O-CG 3.48Å
648	A	85.5	Confident	90.2	Very high	18 Å²	18	37.1 Å²	37.1	15%	0.149	18%	0.182	C	C	.	.			trans	-62.3	130.7	-179.6	0	0	0	0	0	111.1	A644 I645 D653 L654 L657	A644-A648 PolarHBondContact O-N 2.85Å; A644-A648 VanDerWaalsContact O-N 3.09Å; I645-A648 WeakPolarHBondContact O-CB 3.46Å; I645-A648 PolarHBondContact O-N 2.83Å; A648-D653 HydrophobicContact CB-CB 4.35Å; A648-L654 HydrophobicContact CB-CB 4.04Å; A648-L654 HydrophobicContact CB-CD1 4.17Å; A648-L657 HydrophobicContact CB-CD1 3.92Å
649	K	75.6	Confident	90.1	Very high	39 Å²	39	36.7 Å²	36.7	17%	0.17	18%	0.182	C	C	.	.			trans	-108.6	-35.2	-172.9	-63.2	178	-174.1	154.6	0	112.9	F209 Q647	F209-K649 HydrophobicContact CZ-CD 4.18Å; Q647-K649 WeakPolarHBondContact O-CG 3.48Å
650	T	76.8	Confident	90.1	Very high	14 Å²	14	33.4 Å²	33.4	9%	0.086	17%	0.169	C	C	.	.	S	Bend	trans	-101.3	159.6	177.2	85.2	0	0	0	0	110.9	N652 D653 L654	T650-N652 PolarHBondContact O-N 3.44Å; T650-N652 PolarHBondContact OG1-N 3.47Å; T650-D653 WeakPolarHBondContact CG2-OD2 3.3Å; T650-D653 PolarHBondContact N-OD2 2.98Å; T650-D653 PolarHBondContact O-N 2.93Å; T650-D653 PolarHBondContact OG1-N 2.91Å; T650-D653 VanDerWaalsContact OG1-N 3.08Å; T650-D653 PolarHBondContact OG1-OD1 3.42Å; T650-D653 PolarHBondContact OG1-OD2 3.29Å; T650-D653 VanDerWaalsContact OG1-OD2 3.12Å; T650-L654 WeakPolarHBondContact O-CB 3.18Å; T650-L654 PolarHBondContact O-N 3.14Å; T650-L654 VanDerWaalsContact O-N 3.14Å
651	Q	80.5	Confident	90.1	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.178	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-31.5	174.3	-174.7	61.4	11.2	0	0	111.9	S655	Q651-S655 WeakPolarHBondContact O-CB 3.31Å; Q651-S655 PolarHBondContact O-N 3.34Å
652	N	82.3	Confident	90	Very high	98 Å²	98	34.2 Å²	34.2	52%	0.524	17%	0.172	S	C	.	.	H	α-helix	trans	-70	-46.4	179.4	-67.5	-18	0	0	0	110.8	Q454 T650 L654 S655 H656	Q454-N652 PolarHBondContact NE2-ND2 3.49Å; Q454-N652 PolarHBondContact NE2-OD1 3.27Å; T650-N652 PolarHBondContact O-N 3.44Å; T650-N652 PolarHBondContact OG1-N 3.47Å; N652-L654 VanDerWaalsContact C-N 3.32Å; N652-L654 PolarHBondContact O-N 2.89Å; N652-S655 PolarHBondContact O-N 3.03Å; N652-H656 WeakPolarHBondContact O-CB 3.43Å; N652-H656 PolarHBondContact O-N 3.06Å
653	D	84.2	Confident	90.1	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-47	176.8	-47.9	-9.9	0	0	0	109.9	A648 T650 S655 H656 L657	A648-D653 HydrophobicContact CB-CB 4.35Å; T650-D653 WeakPolarHBondContact CG2-OD2 3.3Å; T650-D653 PolarHBondContact N-OD2 2.98Å; T650-D653 PolarHBondContact O-N 2.93Å; T650-D653 PolarHBondContact OG1-N 2.91Å; T650-D653 VanDerWaalsContact OG1-N 3.08Å; T650-D653 PolarHBondContact OG1-OD1 3.42Å; T650-D653 PolarHBondContact OG1-OD2 3.29Å; T650-D653 VanDerWaalsContact OG1-OD2 3.12Å; D653-S655 PolarHBondContact O-N 3.28Å; D653-H656 PolarHBondContact O-N 2.92Å; D653-L657 WeakPolarHBondContact O-CB 3.36Å; D653-L657 VanDerWaalsContact O-CG 3.26Å; D653-L657 WeakPolarHBondContact O-CG 3.3Å; D653-L657 PolarHBondContact O-N 2.99Å
654	L	89.3	Confident	90.1	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-46.7	178.9	-179.1	60.1	0	0	0	111.7	A193 R197 L200 I645 A648 T650 N652 H656 L657 I658	A193-L654 HydrophobicContact CB-CB 4.42Å; A193-L654 HydrophobicContact CB-CD2 4.01Å; A193-L654 HydrophobicContact CB-CG 3.84Å; R197-L654 HydrophobicContact CB-CD2 3.95Å; R197-L654 HydrophobicContact CG-CD2 4.35Å; L200-L654 HydrophobicContact CD1-CD1 3.88Å; L200-L654 HydrophobicContact CD1-CD2 3.72Å; L200-L654 HydrophobicContact CD1-CG 4.44Å; I645-L654 HydrophobicContact CG2-CD1 3.77Å; A648-L654 HydrophobicContact CB-CB 4.04Å; A648-L654 HydrophobicContact CB-CD1 4.17Å; T650-L654 WeakPolarHBondContact O-CB 3.18Å; T650-L654 PolarHBondContact O-N 3.14Å; T650-L654 VanDerWaalsContact O-N 3.14Å; N652-L654 VanDerWaalsContact C-N 3.32Å; N652-L654 PolarHBondContact O-N 2.89Å; L654-H656 VanDerWaalsContact C-N 3.33Å; L654-H656 PolarHBondContact O-N 3.05Å; L654-L657 PolarHBondContact O-N 3.19Å; L654-I658 HydrophobicContact CD1-CD1 3.73Å; L654-I658 HydrophobicContact CD1-CG1 4.18Å; L654-I658 HydrophobicContact CG-CD1 3.87Å; L654-I658 WeakPolarHBondContact O-CB 3.31Å; L654-I658 VanDerWaalsContact O-CG1 3.29Å; L654-I658 WeakPolarHBondContact O-CG1 3.28Å; L654-I658 PolarHBondContact O-N 3.06Å
655	S	91.9	Very high	90.2	Very high	12 Å²	12	30 Å²	30	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-41.6	176.8	176.3	0	0	0	0	112.3	G189 Q190 Q651 N652 D653 A659	G189-S655 WeakPolarHBondContact CA-O 3.22Å; Q190-S655 WeakPolarHBondContact CA-OG 3.35Å; Q190-S655 WeakPolarHBondContact CG-OG 3.41Å; Q190-S655 PolarHBondContact N-OG 3.39Å; Q190-S655 VanDerWaalsContact N-OG 3.11Å; Q651-S655 WeakPolarHBondContact O-CB 3.31Å; Q651-S655 PolarHBondContact O-N 3.34Å; N652-S655 PolarHBondContact O-N 3.03Å; D653-S655 PolarHBondContact O-N 3.28Å; S655-A659 WeakPolarHBondContact O-CB 3.46Å; S655-A659 PolarHBondContact O-N 3Å
656	H	94	Very high	90.3	Very high	61 Å²	61	30 Å²	30	28%	0.282	15%	0.154	S	C	.	.	H	α-helix	trans	-65.8	-49.2	178.5	170.1	63.4	0	0	0	111.5	E622 N652 D653 L654 I658 A659 L660	E622-H656 IonicContact OE1-CD2 3.88Å; E622-H656 IonicContact OE1-CE1 3.78Å; E622-H656 IonicContact OE1-NE2 2.94Å; E622-H656 PolarHBondContact OE1-NE2 3Å; E622-H656 IonicContact OE2-NE2 3.3Å; N652-H656 WeakPolarHBondContact O-CB 3.43Å; N652-H656 PolarHBondContact O-N 3.06Å; D653-H656 PolarHBondContact O-N 2.92Å; L654-H656 VanDerWaalsContact C-N 3.33Å; L654-H656 PolarHBondContact O-N 3.05Å; H656-I658 PolarHBondContact O-N 3.39Å; H656-A659 WeakPolarHBondContact O-CB 3.18Å; H656-A659 PolarHBondContact O-N 3.5Å; H656-A659 VanDerWaalsContact O-N 3.13Å; H656-L660 PolarHBondContact O-N 3.06Å
657	L	94.2	Very high	90.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-38	-179.1	-67	168.3	0	0	0	112.5	E618 E622 A644 I645 A648 D653 L654 L660 R661	E618-L657 HydrophobicContact CG-CD1 4.03Å; E622-L657 HydrophobicContact CB-CD2 4.03Å; E622-L657 HydrophobicContact CG-CD2 3.96Å; A644-L657 HydrophobicContact CB-CD1 3.94Å; A644-L657 HydrophobicContact CB-CD2 3.73Å; A644-L657 HydrophobicContact CB-CG 4.39Å; I645-L657 HydrophobicContact CG1-CB 3.67Å; A648-L657 HydrophobicContact CB-CD1 3.92Å; D653-L657 WeakPolarHBondContact O-CB 3.36Å; D653-L657 VanDerWaalsContact O-CG 3.26Å; D653-L657 WeakPolarHBondContact O-CG 3.3Å; D653-L657 PolarHBondContact O-N 2.99Å; L654-L657 PolarHBondContact O-N 3.19Å; L657-L660 HydrophobicContact CD2-CD1 4.4Å; L657-L660 PolarHBondContact O-N 3.46Å; L657-R661 PolarHBondContact O-N 3.4Å
658	I	95.7	Very high	90.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-43.1	172.2	-69.9	170	0	0	0	110.5	K192 A193 E196 I645 L654 H656 L660 R661 E662	K192-I658 HydrophobicContact CB-CG2 3.75Å; K192-I658 HydrophobicContact CD-CG2 4.37Å; A193-I658 HydrophobicContact CB-CD1 3.96Å; E196-I658 HydrophobicContact CB-CD1 4.28Å; I645-I658 HydrophobicContact CD1-CG1 3.81Å; I645-I658 HydrophobicContact CG1-CG1 4.16Å; L654-I658 HydrophobicContact CD1-CD1 3.73Å; L654-I658 HydrophobicContact CD1-CG1 4.18Å; L654-I658 HydrophobicContact CG-CD1 3.87Å; L654-I658 WeakPolarHBondContact O-CB 3.31Å; L654-I658 VanDerWaalsContact O-CG1 3.29Å; L654-I658 WeakPolarHBondContact O-CG1 3.28Å; L654-I658 PolarHBondContact O-N 3.06Å; H656-I658 PolarHBondContact O-N 3.39Å; I658-L660 VanDerWaalsContact C-N 3.28Å; I658-L660 PolarHBondContact O-N 3.41Å; I658-R661 WeakPolarHBondContact O-CB 3.38Å; I658-R661 PolarHBondContact O-N 3.14Å; I658-R661 VanDerWaalsContact O-N 3.15Å; I658-E662 HydrophobicContact CG2-CG 4Å; I658-E662 WeakPolarHBondContact O-CG 3.2Å; I658-E662 PolarHBondContact O-N 3.29Å
659	A	96.6	Very high	91.1	Very high	13 Å²	13	30.4 Å²	30.4	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-41.4	175.8	0	0	0	0	0	111.8	L185 S655 H656 E662 G663	L185-A659 HydrophobicContact CB-CB 4.33Å; L185-A659 WeakPolarHBondContact CD2-O 3.49Å; L185-A659 WeakPolarHBondContact O-CB 3.4Å; S655-A659 WeakPolarHBondContact O-CB 3.46Å; S655-A659 PolarHBondContact O-N 3Å; H656-A659 WeakPolarHBondContact O-CB 3.18Å; H656-A659 PolarHBondContact O-N 3.5Å; H656-A659 VanDerWaalsContact O-N 3.13Å; A659-E662 PolarHBondContact O-N 3.09Å; A659-G663 PolarHBondContact O-N 3.44Å
660	L	96	Very high	91.9	Very high	46 Å²	46	28.6 Å²	28.6	24%	0.241	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-47.8	173.8	-68.8	174.2	0	0	0	112	E622 F641 H656 L657 I658 E662 G663 V664	E622-L660 HydrophobicContact CG-CD1 3.85Å; F641-L660 HydrophobicContact CD1-CB 4.12Å; F641-L660 HydrophobicContact CD1-CD1 4.33Å; F641-L660 HydrophobicContact CD2-CB 4.41Å; F641-L660 HydrophobicContact CE1-CB 3.93Å; F641-L660 HydrophobicContact CE1-CD1 3.8Å; F641-L660 HydrophobicContact CE1-CG 4.44Å; F641-L660 HydrophobicContact CE2-CB 4.21Å; F641-L660 HydrophobicContact CG-CB 4.38Å; F641-L660 HydrophobicContact CZ-CB 3.97Å; F641-L660 HydrophobicContact CZ-CD1 4.34Å; H656-L660 PolarHBondContact O-N 3.06Å; L657-L660 HydrophobicContact CD2-CD1 4.4Å; L657-L660 PolarHBondContact O-N 3.46Å; I658-L660 VanDerWaalsContact C-N 3.28Å; I658-L660 PolarHBondContact O-N 3.41Å; L660-E662 PolarHBondContact O-N 3.08Å; L660-G663 PolarHBondContact O-N 3.05Å; L660-V664 PolarHBondContact O-N 3.47Å
661	R	97.3	Very high	92.6	Very high	25 Å²	25	28.5 Å²	28.5	9%	0.094	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-48.1	176.7	-173.7	-170.9	68.5	-162	-2.1	112.1	E196 L638 F641 D642 I645 L657 I658 G663 V664 N665	E196-R661 IonicContact OE1-CZ 2.65Å; E196-R661 IonicContact OE1-NH1 3.44Å; E196-R661 IonicContact OE1-NH2 3.22Å; E196-R661 PolarHBondContact OE1-NH2 2.73Å; E196-R661 IonicContact OE2-CZ 3.66Å; E196-R661 IonicContact OE2-NH1 3.49Å; E196-R661 PolarHBondContact OE2-NH1 3.1Å; E196-R661 IonicContact OE2-NH2 3.94Å; E196-R661 PolarHBondContact OE2-NH2 2.66Å; L638-R661 HydrophobicContact CD2-CG 3.7Å; F641-R661 HydrophobicContact CB-CB 4.12Å; D642-R661 WeakPolarHBondContact OD1-CD 3.17Å; D642-R661 IonicContact OD1-NH1 3.2Å; I645-R661 HydrophobicContact CD1-CB 4.2Å; L657-R661 PolarHBondContact O-N 3.4Å; I658-R661 WeakPolarHBondContact O-CB 3.38Å; I658-R661 PolarHBondContact O-N 3.14Å; I658-R661 VanDerWaalsContact O-N 3.15Å; R661-G663 VanDerWaalsContact C-N 3.33Å; R661-G663 PolarHBondContact O-N 3Å; R661-V664 PolarHBondContact O-N 3.14Å; R661-N665 PolarHBondContact O-N 3.01Å
662	E	96.6	Very high	93.1	Very high	19 Å²	19	33 Å²	33	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-34.8	179.7	-62.7	-50.8	128.1	0	0	112.2	L160 I188 K192 I658 A659 L660 N665 A666	L160-E662 HydrophobicContact CD2-CB 4.44Å; I188-E662 HydrophobicContact CG2-CB 4.21Å; I188-E662 HydrophobicContact CG2-CG 3.86Å; K192-E662 HydrophobicContact CD-CG 4.02Å; K192-E662 VanDerWaalsContact NZ-CD 3.31Å; K192-E662 IonicContact NZ-OE1 2.74Å; K192-E662 IonicContact NZ-OE2 2.64Å; K192-E662 PolarHBondContact NZ-OE2 3.13Å; I658-E662 HydrophobicContact CG2-CG 4Å; I658-E662 WeakPolarHBondContact O-CG 3.2Å; I658-E662 PolarHBondContact O-N 3.29Å; A659-E662 PolarHBondContact O-N 3.09Å; L660-E662 PolarHBondContact O-N 3.08Å; E662-N665 PolarHBondContact O-N 3.26Å; E662-A666 WeakPolarHBondContact O-CB 3.16Å; E662-A666 PolarHBondContact O-N 3.2Å
663	G	95.7	Very high	93.6	Very high	11 Å²	11	33.7 Å²	33.7	11%	0.113	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-44.8	171	0	0	0	0	0	112.3	A659 L660 R661 A666 Q667	A659-G663 PolarHBondContact O-N 3.44Å; L660-G663 PolarHBondContact O-N 3.05Å; R661-G663 VanDerWaalsContact C-N 3.33Å; R661-G663 PolarHBondContact O-N 3Å; G663-A666 PolarHBondContact O-N 3.21Å; G663-Q667 WeakPolarHBondContact O-CG 3.37Å; G663-Q667 PolarHBondContact O-N 3.22Å
664	V	95.2	Very high	94	Very high	5 Å²	5	34 Å²	34	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-66.6	-43.2	175.7	177.2	0	0	0	0	112	V629 F634 A637 L638 F641 L660 R661 A666 Q667 L668	V629-V664 HydrophobicContact CG2-CG2 3.33Å; F634-V664 HydrophobicContact CB-CG1 3.69Å; F634-V664 HydrophobicContact CD1-CG1 3.83Å; F634-V664 HydrophobicContact CG-CG1 4.02Å; A637-V664 HydrophobicContact CB-CG1 4.43Å; A637-V664 HydrophobicContact CB-CG2 4.48Å; L638-V664 HydrophobicContact CD1-CG1 4.37Å; L638-V664 HydrophobicContact CD2-CB 3.92Å; L638-V664 HydrophobicContact CD2-CG1 3.86Å; L638-V664 HydrophobicContact CG-CB 4.4Å; L638-V664 HydrophobicContact CG-CG1 3.78Å; F641-V664 HydrophobicContact CD2-CG2 4.17Å; F641-V664 HydrophobicContact CE2-CG2 3.65Å; L660-V664 PolarHBondContact O-N 3.47Å; R661-V664 PolarHBondContact O-N 3.14Å; V664-A666 VanDerWaalsContact C-N 3.29Å; V664-A666 PolarHBondContact O-N 3.13Å; V664-Q667 PolarHBondContact O-N 3.03Å; V664-L668 WeakPolarHBondContact O-CB 3.21Å; V664-L668 PolarHBondContact O-N 3.3Å
665	N	95.8	Very high	94.1	Very high	42 Å²	42	43.3 Å²	43.3	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-41.2	175.7	-79.9	-30.3	0	0	0	112	L638 R661 E662 K669	L638-N665 WeakPolarHBondContact CD1-OD1 3.3Å; L638-N665 WeakPolarHBondContact CD2-OD1 3.15Å; R661-N665 PolarHBondContact O-N 3.01Å; E662-N665 PolarHBondContact O-N 3.26Å; N665-K669 WeakPolarHBondContact O-CG 3.45Å; N665-K669 PolarHBondContact O-N 3.4Å; N665-K669 VanDerWaalsContact O-N 3.09Å
666	A	95.3	Very high	93.9	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-45.2	176.2	0	0	0	0	0	111.6	L160 L161 T164 E662 G663 V664 L668 K669 V670	L160-A666 HydrophobicContact CD1-CB 4.49Å; L160-A666 HydrophobicContact CD2-CB 3.7Å; L160-A666 HydrophobicContact CG-CB 3.7Å; L161-A666 HydrophobicContact CD2-CB 4.17Å; T164-A666 HydrophobicContact CG2-CB 4.43Å; E662-A666 WeakPolarHBondContact O-CB 3.16Å; E662-A666 PolarHBondContact O-N 3.2Å; G663-A666 PolarHBondContact O-N 3.21Å; V664-A666 VanDerWaalsContact C-N 3.29Å; V664-A666 PolarHBondContact O-N 3.13Å; A666-L668 PolarHBondContact O-N 2.93Å; A666-K669 PolarHBondContact O-N 3.07Å; A666-V670 WeakPolarHBondContact O-CB 3.23Å; A666-V670 VanDerWaalsContact O-CG2 3.27Å; A666-V670 WeakPolarHBondContact O-CG2 3.48Å; A666-V670 PolarHBondContact O-N 3.16Å
667	Q	92.6	Very high	93.5	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-45.9	175.8	-75	178.3	5.8	0	0	111.9	T164 G663 V664 V670 C671 I678	T164-Q667 HydrophobicContact CG2-CG 3.87Å; G663-Q667 WeakPolarHBondContact O-CG 3.37Å; G663-Q667 PolarHBondContact O-N 3.22Å; V664-Q667 PolarHBondContact O-N 3.03Å; Q667-V670 PolarHBondContact O-N 2.84Å; Q667-C671 WeakPolarHBondContact O-CB 3.3Å; Q667-C671 PolarHBondContact O-N 3.41Å; Q667-C671 PolarHBondContact O-SG 3Å; Q667-I678 HydrophobicContact CB-CD1 3.96Å; Q667-I678 HydrophobicContact CG-CD1 4.43Å
668	L	92.5	Very high	92.7	Very high	39 Å²	39	44.3 Å²	44.3	20%	0.204	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-52.3	177.7	-179.4	67.7	0	0	0	111.2	F634 V664 A666 V670 C671 E672	F634-L668 HydrophobicContact CB-CD1 4.27Å; F634-L668 HydrophobicContact CD2-CB 4.24Å; F634-L668 HydrophobicContact CD2-CD1 3.79Å; F634-L668 HydrophobicContact CG-CD1 4.49Å; V664-L668 WeakPolarHBondContact O-CB 3.21Å; V664-L668 PolarHBondContact O-N 3.3Å; A666-L668 PolarHBondContact O-N 2.93Å; L668-V670 VanDerWaalsContact C-N 3.35Å; L668-V670 PolarHBondContact O-N 2.83Å; L668-C671 PolarHBondContact O-N 3.32Å; L668-E672 WeakPolarHBondContact O-CG 3.47Å; L668-E672 PolarHBondContact O-N 3.41Å
669	K	94	Very high	91.8	Very high	111 Å²	111	47.1 Å²	47.1	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-44.1	178.8	-74.7	172.9	178.9	177.1	0	112.4	L161 N665 A666 E672 Q673	L161-K669 HydrophobicContact CD2-CB 3.77Å; L161-K669 HydrophobicContact CD2-CD 3.85Å; L161-K669 HydrophobicContact CD2-CG 4.48Å; N665-K669 WeakPolarHBondContact O-CG 3.45Å; N665-K669 PolarHBondContact O-N 3.4Å; N665-K669 VanDerWaalsContact O-N 3.09Å; A666-K669 PolarHBondContact O-N 3.07Å; K669-E672 PolarHBondContact O-N 3.34Å; K669-Q673 VanDerWaalsContact O-CB 3.23Å; K669-Q673 WeakPolarHBondContact O-CB 3.26Å; K669-Q673 PolarHBondContact O-N 3.39Å
670	V	93.8	Very high	91.1	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-40.9	178.6	170	0	0	0	0	110.9	L161 T164 A165 I168 A666 Q667 L668 Q673 Y674	L161-V670 HydrophobicContact CD2-CG2 4.22Å; L161-V670 WeakPolarHBondContact O-CG2 3.39Å; T164-V670 HydrophobicContact CG2-CB 4.35Å; T164-V670 HydrophobicContact CG2-CG2 4.05Å; A165-V670 HydrophobicContact CB-CG1 3.81Å; A165-V670 HydrophobicContact CB-CG2 4.26Å; I168-V670 HydrophobicContact CD1-CB 4.4Å; I168-V670 HydrophobicContact CD1-CG1 3.82Å; A666-V670 WeakPolarHBondContact O-CB 3.23Å; A666-V670 VanDerWaalsContact O-CG2 3.27Å; A666-V670 WeakPolarHBondContact O-CG2 3.48Å; A666-V670 PolarHBondContact O-N 3.16Å; Q667-V670 PolarHBondContact O-N 2.84Å; L668-V670 VanDerWaalsContact C-N 3.35Å; L668-V670 PolarHBondContact O-N 2.83Å; V670-Q673 PolarHBondContact O-N 3.24Å; V670-Y674 HydrophobicContact CG1-CD2 3.81Å; V670-Y674 HydrophobicContact CG1-CE2 4.22Å; V670-Y674 VanDerWaalsContact O-CD2 3.31Å; V670-Y674 WeakPolarHBondContact O-CD2 3.49Å; V670-Y674 PolarHBondContact O-N 3.2Å
671	C	90.5	Very high	90.4	Very high	12 Å²	12	50.3 Å²	50.3	8%	0.081	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-42	177.8	-69.4	0	0	0	0	112.6	Q667 L668 K675 I676 I678	Q667-C671 WeakPolarHBondContact O-CB 3.3Å; Q667-C671 PolarHBondContact O-N 3.41Å; Q667-C671 PolarHBondContact O-SG 3Å; L668-C671 PolarHBondContact O-N 3.32Å; C671-K675 CarbonylContact O-C 3.57Å; C671-K675 WeakPolarHBondContact O-CA 3.3Å; C671-K675 PolarHBondContact O-N 3.06Å; C671-I676 WeakPolarHBondContact CB-O 3.35Å; C671-I676 PolarHBondContact O-N 3.02Å; C671-I678 WeakPolarHBondContact SG-CD1 3.45Å; C671-I678 WeakPolarHBondContact SG-CG1 3.36Å
672	E	91.8	Very high	89.4	Confident	132 Å²	132	51.6 Å²	51.6	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-64.6	-47.5	174.7	-70.5	175.2	177.6	0	0	111.4	L668 K669 Y674 K675	L668-E672 WeakPolarHBondContact O-CG 3.47Å; L668-E672 PolarHBondContact O-N 3.41Å; K669-E672 PolarHBondContact O-N 3.34Å; E672-Y674 PolarHBondContact O-N 2.86Å; E672-K675 PolarHBondContact O-N 3.36Å
673	Q	93.2	Very high	88.6	Confident	113 Å²	113	53.5 Å²	53.5	53%	0.528	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-43	-178	-179.9	177.6	-12.6	0	0	112.5	K669 V670	K669-Q673 VanDerWaalsContact O-CB 3.23Å; K669-Q673 WeakPolarHBondContact O-CB 3.26Å; K669-Q673 PolarHBondContact O-N 3.39Å; V670-Q673 PolarHBondContact O-N 3.24Å
674	Y	92.6	Very high	88	Confident	26 Å²	26	54.7 Å²	54.7	10%	0.102	28%	0.283	C	S	.	.	H	α-helix	trans	-101.8	3.9	-176	-65.1	-76.3	0	0	0	113.9	P137 L143 A165 F169 V670 E672 I676	P137-Y674 HydrophobicContact CB-CD1 4.28Å; P137-Y674 HydrophobicContact CB-CE1 3.92Å; P137-Y674 WeakPolarHBondContact O-CE1 3.42Å; L143-Y674 WeakPolarHBondContact CD2-OH 3.44Å; A165-Y674 HydrophobicContact CB-CD2 4.46Å; A165-Y674 HydrophobicContact CB-CE2 3.78Å; F169-Y674 HydrophobicContact CE1-CD1 4.49Å; F169-Y674 HydrophobicContact CE1-CG 4.33Å; F169-Y674 HydrophobicContact CE2-CD1 4.22Å; F169-Y674 HydrophobicContact CE2-CD2 4.48Å; F169-Y674 HydrophobicContact CE2-CE1 4.08Å; F169-Y674 HydrophobicContact CE2-CE2 4.39Å; F169-Y674 HydrophobicContact CE2-CG 4.4Å; F169-Y674 AromaticContact CZ-CD1 3.5Å; F169-Y674 HydrophobicContact CZ-CD1 3.5Å; F169-Y674 VanDerWaalsContact CZ-CD1 3.5Å; F169-Y674 AromaticContact CZ-CD2 3.98Å; F169-Y674 HydrophobicContact CZ-CD2 3.98Å; F169-Y674 AromaticContact CZ-CE1 3.83Å; F169-Y674 HydrophobicContact CZ-CE1 3.83Å; F169-Y674 HydrophobicContact CZ-CE2 4.3Å; F169-Y674 AromaticContact CZ-CG 3.56Å; F169-Y674 HydrophobicContact CZ-CG 3.56Å; V670-Y674 HydrophobicContact CG1-CD2 3.81Å; V670-Y674 HydrophobicContact CG1-CE2 4.22Å; V670-Y674 VanDerWaalsContact O-CD2 3.31Å; V670-Y674 WeakPolarHBondContact O-CD2 3.49Å; V670-Y674 PolarHBondContact O-N 3.2Å; E672-Y674 PolarHBondContact O-N 2.86Å; Y674-I676 VanDerWaalsContact C-N 3.28Å; Y674-I676 HydrophobicContact CG-CD1 4.49Å; Y674-I676 PolarHBondContact O-N 2.78Å
675	K	90.9	Very high	87.2	Confident	197 Å²	197	56 Å²	56	86%	0.857	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	43.9	-178.2	-54.1	-178.2	-179	-179.7	0	112.5	C671 E672	C671-K675 CarbonylContact O-C 3.57Å; C671-K675 WeakPolarHBondContact O-CA 3.3Å; C671-K675 PolarHBondContact O-N 3.06Å; E672-K675 PolarHBondContact O-N 3.36Å
676	I	87.5	Confident	86.3	Confident	33 Å²	33	58.7 Å²	58.7	17%	0.169	30%	0.301	C	S	.	.			trans	-97.3	133.4	-179.3	-54.8	170.9	0	0	0	109.1	I168 F169 C671 Y674 V681	I168-I676 HydrophobicContact CG2-CD1 3.69Å; I168-I676 HydrophobicContact CG2-CG2 4.08Å; F169-I676 HydrophobicContact CD1-CD1 3.97Å; F169-I676 HydrophobicContact CE1-CD1 3.39Å; F169-I676 HydrophobicContact CE1-CG1 4.36Å; F169-I676 HydrophobicContact CZ-CD1 4.13Å; C671-I676 WeakPolarHBondContact CB-O 3.35Å; C671-I676 PolarHBondContact O-N 3.02Å; Y674-I676 VanDerWaalsContact C-N 3.28Å; Y674-I676 HydrophobicContact CG-CD1 4.49Å; Y674-I676 PolarHBondContact O-N 2.78Å; I676-V681 HydrophobicContact CG2-CG2 3.51Å
677	S	85.2	Confident	85.6	Confident	47 Å²	47	63 Å²	63	33%	0.329	32%	0.32	S	S	.	.			trans	-88.6	112.8	166.9	171.3	0	0	0	0	109.3	D680 V681	S677-D680 VanDerWaalsContact CB-CG 3.45Å; S677-D680 WeakPolarHBondContact CB-OD2 3.4Å; S677-D680 WeakPolarHBondContact O-CB 3.48Å; S677-D680 PolarHBondContact O-N 3.4Å; S677-D680 VanDerWaalsContact O-N 3.15Å; S677-D680 PolarHBondContact OG-N 3.39Å; S677-D680 PolarHBondContact OG-OD1 2.82Å; S677-D680 PolarHBondContact OG-OD2 3.04Å; S677-V681 PolarHBondContact O-N 3.38Å; S677-V681 VanDerWaalsContact O-N 3.09Å
678	I	77.3	Confident	85	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-41.7	174.7	-84.5	171.4	0	0	0	112.8	I168 F634 Q667 C671 D680 V681 L682	I168-I678 HydrophobicContact CD1-CD1 4.39Å; F634-I678 HydrophobicContact CE1-CD1 4.15Å; F634-I678 HydrophobicContact CE2-CB 4.33Å; F634-I678 HydrophobicContact CE2-CD1 3.66Å; F634-I678 HydrophobicContact CE2-CG1 4.44Å; F634-I678 HydrophobicContact CZ-CB 3.78Å; F634-I678 HydrophobicContact CZ-CD1 3.19Å; F634-I678 HydrophobicContact CZ-CG1 4Å; F634-I678 HydrophobicContact CZ-CG2 3.84Å; Q667-I678 HydrophobicContact CB-CD1 3.96Å; Q667-I678 HydrophobicContact CG-CD1 4.43Å; C671-I678 WeakPolarHBondContact SG-CD1 3.45Å; C671-I678 WeakPolarHBondContact SG-CG1 3.36Å; I678-D680 PolarHBondContact O-N 3.07Å; I678-V681 PolarHBondContact O-N 3.14Å; I678-L682 HydrophobicContact CG2-CD1 3.61Å; I678-L682 HydrophobicContact CG2-CG 3.91Å; I678-L682 WeakPolarHBondContact O-CG 3.33Å; I678-L682 PolarHBondContact O-N 3.34Å
679	P	77.5	Confident	84.3	Confident	60 Å²	60	68.6 Å²	68.6	39%	0.39	35%	0.345	S	S	.	.	H	α-helix	trans	-53.2	-36	172.5	-29.1	36.3	0	0	0	113.1	S683	P679-S683 VanDerWaalsContact O-CB 3.24Å; P679-S683 WeakPolarHBondContact O-CB 3.43Å; P679-S683 PolarHBondContact O-N 3.04Å; P679-S683 PolarHBondContact O-OG 3.15Å
680	D	82.4	Confident	83.6	Confident	103 Å²	103	68.7 Å²	68.7	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-72.3	-38.8	177.3	-60.4	-8.9	0	0	0	111.6	S677 I678 S683 S684	S677-D680 VanDerWaalsContact CB-CG 3.45Å; S677-D680 WeakPolarHBondContact CB-OD2 3.4Å; S677-D680 WeakPolarHBondContact O-CB 3.48Å; S677-D680 PolarHBondContact O-N 3.4Å; S677-D680 VanDerWaalsContact O-N 3.15Å; S677-D680 PolarHBondContact OG-N 3.39Å; S677-D680 PolarHBondContact OG-OD1 2.82Å; S677-D680 PolarHBondContact OG-OD2 3.04Å; I678-D680 PolarHBondContact O-N 3.07Å; D680-S683 WeakPolarHBondContact CA-OG 3.48Å; D680-S683 PolarHBondContact O-OG 3.26Å; D680-S684 WeakPolarHBondContact O-CB 3.07Å; D680-S684 PolarHBondContact O-N 3.38Å
681	V	81	Confident	83.1	Confident	23 Å²	23	74.6 Å²	74.6	14%	0.139	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-47.6	174	176.5	0	0	0	0	110.6	I168 I676 S677 I678 S684 I685	I168-V681 HydrophobicContact CG2-CG2 4.26Å; I676-V681 HydrophobicContact CG2-CG2 3.51Å; S677-V681 PolarHBondContact O-N 3.38Å; S677-V681 VanDerWaalsContact O-N 3.09Å; I678-V681 PolarHBondContact O-N 3.14Å; V681-S684 WeakPolarHBondContact O-CB 3Å; V681-S684 PolarHBondContact O-N 3.34Å; V681-I685 HydrophobicContact CG1-CD1 3.95Å; V681-I685 VanDerWaalsContact O-CG1 3.29Å; V681-I685 WeakPolarHBondContact O-CG1 3.47Å; V681-I685 PolarHBondContact O-N 2.88Å
682	L	75.7	Confident	82.5	Confident	52 Å²	52	80.6 Å²	80.6	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-46.1	-179.7	-69	176	0	0	0	111.8	E630 I678 S684 I685 Q686	E630-L682 VanDerWaalsContact O-CD1 3.28Å; E630-L682 WeakPolarHBondContact O-CD1 3.37Å; I678-L682 HydrophobicContact CG2-CD1 3.61Å; I678-L682 HydrophobicContact CG2-CG 3.91Å; I678-L682 WeakPolarHBondContact O-CG 3.33Å; I678-L682 PolarHBondContact O-N 3.34Å; L682-S684 VanDerWaalsContact C-N 3.29Å; L682-S684 PolarHBondContact O-N 3.5Å; L682-I685 PolarHBondContact O-N 3.15Å; L682-I685 VanDerWaalsContact O-N 3.14Å; L682-Q686 WeakPolarHBondContact O-CG 3.21Å; L682-Q686 PolarHBondContact O-N 3.47Å
683	S	80	Confident	81.7	Confident	59 Å²	59	79.4 Å²	79.4	41%	0.413	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-37.8	175.9	60	0	0	0	0	111.7	P679 D680 I685 Q686 H687	P679-S683 VanDerWaalsContact O-CB 3.24Å; P679-S683 WeakPolarHBondContact O-CB 3.43Å; P679-S683 PolarHBondContact O-N 3.04Å; P679-S683 PolarHBondContact O-OG 3.15Å; D680-S683 WeakPolarHBondContact CA-OG 3.48Å; D680-S683 PolarHBondContact O-OG 3.26Å; S683-I685 PolarHBondContact O-N 3.47Å; S683-Q686 PolarHBondContact O-N 3.07Å; S683-H687 WeakPolarHBondContact O-CB 3.45Å; S683-H687 PolarHBondContact O-N 3.47Å
684	S	82.4	Confident	81	Confident	36 Å²	36	79.3 Å²	79.3	25%	0.252	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-42.2	172.5	176	0	0	0	0	112.2	K171 D680 V681 L682 E688	K171-S684 PolarHBondContact NZ-OG 3.35Å; D680-S684 WeakPolarHBondContact O-CB 3.07Å; D680-S684 PolarHBondContact O-N 3.38Å; V681-S684 WeakPolarHBondContact O-CB 3Å; V681-S684 PolarHBondContact O-N 3.34Å; L682-S684 VanDerWaalsContact C-N 3.29Å; L682-S684 PolarHBondContact O-N 3.5Å; S684-E688 WeakPolarHBondContact O-CG 3.27Å; S684-E688 PolarHBondContact O-N 2.71Å; S684-E688 VanDerWaalsContact O-N 3.1Å
685	I	79.2	Confident	80.5	Confident	31 Å²	31	80 Å²	80	16%	0.159	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-46.1	177.6	-69.4	163.4	0	0	0	110.2	K171 F172 V681 L682 S683 H687 E688 Q689	K171-I685 HydrophobicContact CB-CD1 4.15Å; K171-I685 HydrophobicContact CB-CG1 3.98Å; F172-I685 HydrophobicContact CD2-CD1 4.01Å; V681-I685 HydrophobicContact CG1-CD1 3.95Å; V681-I685 VanDerWaalsContact O-CG1 3.29Å; V681-I685 WeakPolarHBondContact O-CG1 3.47Å; V681-I685 PolarHBondContact O-N 2.88Å; L682-I685 PolarHBondContact O-N 3.15Å; L682-I685 VanDerWaalsContact O-N 3.14Å; S683-I685 PolarHBondContact O-N 3.47Å; I685-H687 VanDerWaalsContact C-N 3.33Å; I685-H687 PolarHBondContact O-N 3.07Å; I685-E688 PolarHBondContact O-N 3.27Å; I685-Q689 WeakPolarHBondContact O-CG 3.47Å; I685-Q689 PolarHBondContact O-N 2.91Å
686	Q	76.1	Confident	79.7	Confident	100 Å²	100	75.2 Å²	75.2	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-43.2	177.9	-73.5	177.1	-6.6	0	0	111.9	L682 S683 E688 Q689 Q690	L682-Q686 WeakPolarHBondContact O-CG 3.21Å; L682-Q686 PolarHBondContact O-N 3.47Å; S683-Q686 PolarHBondContact O-N 3.07Å; Q686-E688 PolarHBondContact O-N 3.13Å; Q686-Q689 PolarHBondContact O-N 3.08Å; Q686-Q690 WeakPolarHBondContact O-CG 3.38Å; Q686-Q690 PolarHBondContact O-N 3.11Å
687	H	81.3	Confident	79.1	Confident	95 Å²	95	79.8 Å²	79.8	44%	0.44	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-38.6	178.2	-172.1	66.2	0	0	0	112.4	S683 I685 K691	S683-H687 WeakPolarHBondContact O-CB 3.45Å; S683-H687 PolarHBondContact O-N 3.47Å; I685-H687 VanDerWaalsContact C-N 3.33Å; I685-H687 PolarHBondContact O-N 3.07Å; H687-K691 WeakPolarHBondContact NE2-CE 3.34Å; H687-K691 PolarHBondContact NE2-NZ 2.83Å; H687-K691 WeakPolarHBondContact O-CG 3.49Å; H687-K691 PolarHBondContact O-N 2.87Å
688	E	81.2	Confident	78.7	Confident	70 Å²	70	85.5 Å²	85.5	33%	0.327	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-41.6	173	-75.4	-179.7	-158.9	0	0	111.8	K171 K173 S684 I685 Q686 K691 F692	K171-E688 IonicContact NZ-OE1 2.59Å; K171-E688 PolarHBondContact NZ-OE1 2.94Å; K173-E688 VanDerWaalsContact CE-OE2 3.23Å; K173-E688 WeakPolarHBondContact CE-OE2 3.4Å; K173-E688 IonicContact NZ-OE1 3.69Å; K173-E688 IonicContact NZ-OE2 2.91Å; K173-E688 PolarHBondContact NZ-OE2 3.03Å; S684-E688 WeakPolarHBondContact O-CG 3.27Å; S684-E688 PolarHBondContact O-N 2.71Å; S684-E688 VanDerWaalsContact O-N 3.1Å; I685-E688 PolarHBondContact O-N 3.27Å; Q686-E688 PolarHBondContact O-N 3.13Å; E688-K691 PolarHBondContact O-N 2.81Å; E688-F692 PolarHBondContact O-N 3.46Å
689	Q	77.7	Confident	78.8	Confident	126 Å²	126	93.7 Å²	93.7	59%	0.589	47%	0.466	S	S	*	.	H	α-helix	trans	-64.7	-43.5	176.2	-72.5	176.3	-12.3	0	0	112.4	I685 Q686 F692 L693	I685-Q689 WeakPolarHBondContact O-CG 3.47Å; I685-Q689 PolarHBondContact O-N 2.91Å; Q686-Q689 PolarHBondContact O-N 3.08Å; Q689-F692 PolarHBondContact O-N 3.19Å; Q689-L693 PolarHBondContact O-N 3.13Å
690	Q	78.9	Confident	77.9	Confident	113 Å²	113	100.6 Å²	100.6	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176.3	-77.1	176.8	-14.3	0	0	111.7	Q686 F692 L693 M694	Q686-Q690 WeakPolarHBondContact O-CG 3.38Å; Q686-Q690 PolarHBondContact O-N 3.11Å; Q690-F692 VanDerWaalsContact C-N 3.31Å; Q690-F692 PolarHBondContact O-N 3.5Å; Q690-L693 PolarHBondContact O-N 3.22Å; Q690-M694 WeakPolarHBondContact O-CG 3.29Å; Q690-M694 PolarHBondContact O-N 3.29Å
691	K	82.3	Confident	77.7	Confident	124 Å²	124	100.5 Å²	100.5	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-42.7	174.9	-81.7	178.8	168.9	164.8	0	112.2	H687 E688 M694 A695	H687-K691 WeakPolarHBondContact NE2-CE 3.34Å; H687-K691 PolarHBondContact NE2-NZ 2.83Å; H687-K691 WeakPolarHBondContact O-CG 3.49Å; H687-K691 PolarHBondContact O-N 2.87Å; E688-K691 PolarHBondContact O-N 2.81Å; K691-M694 PolarHBondContact O-N 3.37Å; K691-A695 WeakPolarHBondContact O-CB 3.25Å; K691-A695 PolarHBondContact O-N 3.28Å
692	F	79.4	Confident	77.5	Confident	139 Å²	139	104.6 Å²	104.6	61%	0.61	51%	0.511	S	S	*	.	H	α-helix	trans	-62.7	-43.1	176.3	-179.7	-97.4	0	0	0	111.8	E688 Q689 Q690 A695 M696	E688-F692 PolarHBondContact O-N 3.46Å; Q689-F692 PolarHBondContact O-N 3.19Å; Q690-F692 VanDerWaalsContact C-N 3.31Å; Q690-F692 PolarHBondContact O-N 3.5Å; F692-A695 PolarHBondContact O-N 3.29Å; F692-M696 HydrophobicContact CD1-SD 4.33Å; F692-M696 HydrophobicContact CE1-CG 4.07Å; F692-M696 HydrophobicContact CE1-SD 3.49Å; F692-M696 WeakPolarHBondContact CE1-SD 3.14Å; F692-M696 HydrophobicContact CZ-CG 4.16Å; F692-M696 HydrophobicContact CZ-SD 3.79Å; F692-M696 PolarHBondContact O-N 3.5Å
693	L	73.5	Confident	77.6	Confident	106 Å²	106	107.5 Å²	107.5	56%	0.555	53%	0.525	S	S	*	.	H	α-helix	trans	-63.1	-45.1	177.9	-152.4	95.3	0	0	0	111.8	Q689 Q690 M696 Q697	Q689-L693 PolarHBondContact O-N 3.13Å; Q690-L693 PolarHBondContact O-N 3.22Å; L693-M696 PolarHBondContact O-N 3.03Å; L693-Q697 WeakPolarHBondContact O-CG 3.43Å; L693-Q697 PolarHBondContact O-N 3.1Å
694	M	79.6	Confident	77.5	Confident	112 Å²	112	110.4 Å²	110.4	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-61.6	-44.6	175.6	-71.3	177.6	176.3	0	0	111.5	Q690 K691 M696 Q697 E698	Q690-M694 WeakPolarHBondContact O-CG 3.29Å; Q690-M694 PolarHBondContact O-N 3.29Å; K691-M694 PolarHBondContact O-N 3.37Å; M694-M696 VanDerWaalsContact C-N 3.28Å; M694-M696 PolarHBondContact O-N 2.93Å; M694-Q697 WeakPolarHBondContact O-CB 3.16Å; M694-Q697 PolarHBondContact O-N 3.16Å; M694-Q697 VanDerWaalsContact O-N 3.09Å; M694-E698 PolarHBondContact O-N 2.87Å
695	A	81.9	Confident	77.2	Confident	41 Å²	41	115 Å²	115	34%	0.339	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-28.8	177.3	0	0	0	0	0	113.1	K691 F692 K699	K691-A695 WeakPolarHBondContact O-CB 3.25Å; K691-A695 PolarHBondContact O-N 3.28Å; F692-A695 PolarHBondContact O-N 3.29Å; A695-K699 WeakPolarHBondContact O-CG 3.07Å; A695-K699 PolarHBondContact O-N 3.04Å
696	M	74	Confident	77.1	Confident	96 Å²	96	120.6 Å²	120.6	47%	0.473	58%	0.575	S	S	.	*	H	α-helix	trans	-71	-40.2	169.9	-79.3	-163.9	71.7	0	0	111.8	F692 L693 M694 K699 M700	F692-M696 HydrophobicContact CD1-SD 4.33Å; F692-M696 HydrophobicContact CE1-CG 4.07Å; F692-M696 HydrophobicContact CE1-SD 3.49Å; F692-M696 WeakPolarHBondContact CE1-SD 3.14Å; F692-M696 HydrophobicContact CZ-CG 4.16Å; F692-M696 HydrophobicContact CZ-SD 3.79Å; F692-M696 PolarHBondContact O-N 3.5Å; L693-M696 PolarHBondContact O-N 3.03Å; M694-M696 VanDerWaalsContact C-N 3.28Å; M694-M696 PolarHBondContact O-N 2.93Å; M696-K699 PolarHBondContact O-N 3.14Å; M696-M700 PolarHBondContact O-N 3.36Å; M696-M700 VanDerWaalsContact O-N 3.07Å
697	Q	74.2	Confident	77.1	Confident	129 Å²	129	122.1 Å²	122.1	60%	0.603	58%	0.582	S	S	*	*	H	α-helix	trans	-66.2	-36.1	176.4	-74	178.3	-23.6	0	0	112.8	L693 M694 K699	L693-Q697 WeakPolarHBondContact O-CG 3.43Å; L693-Q697 PolarHBondContact O-N 3.1Å; M694-Q697 WeakPolarHBondContact O-CB 3.16Å; M694-Q697 PolarHBondContact O-N 3.16Å; M694-Q697 VanDerWaalsContact O-N 3.09Å; Q697-K699 VanDerWaalsContact C-N 3.31Å
698	E	77.5	Confident	76.8	Confident	167 Å²	167	124.2 Å²	124.2	78%	0.78	59%	0.593	S	S	*	*	H	α-helix	trans	-70.7	-25.7	174.9	-73.1	178.4	172.7	0	0	113.3	M694	M694-E698 PolarHBondContact O-N 2.87Å
699	K	78.5	Confident	76.4	Confident	185 Å²	185	128.7 Å²	128.7	80%	0.804	62%	0.616	S	S	*	*	H	α-helix	trans	-84.4	-25.2	177.2	-79.5	-178.7	179.9	-178.5	0	113.5	A695 M696 Q697	A695-K699 WeakPolarHBondContact O-CG 3.07Å; A695-K699 PolarHBondContact O-N 3.04Å; M696-K699 PolarHBondContact O-N 3.14Å; Q697-K699 VanDerWaalsContact C-N 3.31Å
700	M	59.9	Low	76.3	Confident	206 Å²	206	128.9 Å²	128.9	100%	1.015	62%	0.618	S	S	*	*			trans	-79.4	0	171.7	-78.7	-178.2	45.1	0	0	110	M696	M696-M700 PolarHBondContact O-N 3.36Å; M696-M700 VanDerWaalsContact O-N 3.07Å

Retrieved 700 of 700 residues in 148.9 ms (Link to these results)

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