A0AA82N8B3_SCHMA Loading...

Conserved oligomeric Golgi complex subunit 4 AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 776 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	50.1	Low	58.6	Low	108 Å²	108	116.2 Å²	116.2	53%	0.532	63%	0.628	S	S	.	*				0	83	0	-79.8	-173.8	155.9	0	0	107.5	L17 K20	M1-L17 VanDerWaalsContact CE-O 3.31Å; M1-L17 WeakPolarHBondContact CE-O 3.46Å; M1-L17 HydrophobicContact SD-CD2 3.93Å; M1-K20 HydrophobicContact CE-CB 2.94Å; M1-K20 HydrophobicContact CE-CD 4.32Å; M1-K20 HydrophobicContact CE-CG 4.23Å
2	D	53.2	Low	60	Low	162 Å²	162	112.9 Å²	112.9	87%	0.866	62%	0.621	S	S	*	*			trans	-107.4	42.1	175.9	-64.3	-30	0	0	0	109.9	N4	D2-N4 PolarHBondContact O-N 3.04Å
3	S	52.7	Low	60.9	Low	55 Å²	55	111.3 Å²	111.3	39%	0.385	61%	0.611	S	S	.	*			trans	-74.2	101.8	157.7	34.3	0	0	0	0	106.2	V5 L17	S3-V5 PolarHBondContact O-N 2.92Å; S3-L17 WeakPolarHBondContact OG-CD1 3.43Å; S3-L17 WeakPolarHBondContact OG-CD2 3.49Å; S3-L17 WeakPolarHBondContact OG-CG 3.49Å
4	N	53.5	Low	61.8	Low	130 Å²	130	109 Å²	109	70%	0.695	60%	0.597	S	S	*	*			trans	-47.3	102.9	179.7	-104	-27.6	0	0	0	110.3	D2 C6 M7	D2-N4 PolarHBondContact O-N 3.04Å; N4-C6 PolarHBondContact O-N 3.38Å; N4-M7 PolarHBondContact O-N 2.6Å
5	V	60.1	Low	62.8	Low	101 Å²	101	110.8 Å²	110.8	61%	0.612	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-58.9	-17.1	-175.8	177.2	0	0	0	0	112.4	S3	S3-V5 PolarHBondContact O-N 2.92Å
6	C	62.6	Low	63.9	Low	119 Å²	119	108.9 Å²	108.9	80%	0.804	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-83.7	-3.1	177.2	-64.3	0	0	0	0	115.6	N4	N4-C6 PolarHBondContact O-N 3.38Å
7	M	56.9	Low	64.7	Low	155 Å²	155	104.2 Å²	104.2	76%	0.764	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-115.9	13.3	-178.8	-73	-77.5	170.8	0	0	113	N4 D9	N4-M7 PolarHBondContact O-N 2.6Å; M7-D9 PolarHBondContact O-N 3.31Å
8	I	58	Low	65.6	Low	36 Å²	36	102.2 Å²	102.2	19%	0.185	55%	0.552	C	S	.	*			trans	-94.1	86.2	-178.9	-59.2	172.2	0	0	0	108	D10 D13 L14 L17	I8-D10 VanDerWaalsContact C-N 3.27Å; I8-D10 WeakPolarHBondContact CG2-O 3.47Å; I8-D13 HydrophobicContact CG1-CB 4.49Å; I8-D13 HydrophobicContact CG2-CB 3.62Å; I8-L14 HydrophobicContact CG2-CB 4.29Å; I8-L17 HydrophobicContact CD1-CD1 3.22Å
9	D	60.1	Low	66.5	Low	163 Å²	163	103.5 Å²	103.5	87%	0.872	55%	0.554	S	S	*	*			trans	-86.6	-0.1	174.1	-69.9	-26.1	0	0	0	112.2	M7	M7-D9 PolarHBondContact O-N 3.31Å
10	D	67.2	Low	67.3	Low	106 Å²	106	104.5 Å²	104.5	57%	0.567	55%	0.553	S	S	*	*	S	Bend	trans	-121.1	131.3	176.7	-151.7	-15.5	0	0	0	112.9	I8 S12 D13	I8-D10 VanDerWaalsContact C-N 3.27Å; I8-D10 WeakPolarHBondContact CG2-O 3.47Å; D10-S12 PolarHBondContact O-N 3.45Å; D10-D13 PolarHBondContact O-N 3.41Å
11	F	70.6	Confident	67.9	Low	143 Å²	143	102.3 Å²	102.3	63%	0.627	55%	0.547	S	S	*	.	H	α-helix	trans	-66.7	-21.8	-170.8	-167.1	-101.6	0	0	0	113	K15	F11-K15 HydrophobicContact CE1-CD 4.44Å; F11-K15 PolarHBondContact O-N 3.41Å
12	S	75.1	Confident	69.6	Low	77 Å²	77	105.8 Å²	105.8	54%	0.538	55%	0.554	S	S	.	*	H	α-helix	trans	-66.9	-43.2	177.3	-166.3	0	0	0	0	111.9	D10 L14 K15 D16	D10-S12 PolarHBondContact O-N 3.45Å; S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 3.35Å; S12-K15 PolarHBondContact O-N 3.11Å; S12-D16 PolarHBondContact O-N 2.9Å
13	D	72.2	Confident	71.1	Confident	92 Å²	92	102.5 Å²	102.5	49%	0.492	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-31.6	-179.2	-73.4	-18.1	0	0	0	111.7	I8 D10 L17	I8-D13 HydrophobicContact CG1-CB 4.49Å; I8-D13 HydrophobicContact CG2-CB 3.62Å; D10-D13 PolarHBondContact O-N 3.41Å; D13-L17 WeakPolarHBondContact O-CB 3.31Å; D13-L17 PolarHBondContact O-N 3.36Å; D13-L17 VanDerWaalsContact O-N 3.16Å
14	L	72.9	Confident	72.6	Confident	79 Å²	79	103.4 Å²	103.4	41%	0.414	54%	0.54	S	S	.	.	H	α-helix	trans	-67	-41.5	175.6	-162.6	91.7	0	0	0	112	I8 S12 L17 V18	I8-L14 HydrophobicContact CG2-CB 4.29Å; S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 3.35Å; L14-L17 WeakPolarHBondContact O-CB 3.44Å; L14-L17 PolarHBondContact O-N 2.99Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 3.07Å
15	K	76.9	Confident	74.1	Confident	136 Å²	136	104.8 Å²	104.8	59%	0.591	54%	0.539	S	S	*	.	H	α-helix	trans	-66.6	-44.2	179.2	-86.4	-173.6	175.9	175.8	0	112	F11 S12 L17 V18 E19	F11-K15 HydrophobicContact CE1-CD 4.44Å; F11-K15 PolarHBondContact O-N 3.41Å; S12-K15 PolarHBondContact O-N 3.11Å; K15-L17 VanDerWaalsContact C-N 3.26Å; K15-L17 PolarHBondContact O-N 3.25Å; K15-V18 PolarHBondContact O-N 3.47Å; K15-V18 VanDerWaalsContact O-N 3.12Å; K15-E19 PolarHBondContact O-N 2.71Å
16	D	79.8	Confident	75.3	Confident	81 Å²	81	102.5 Å²	102.5	43%	0.433	53%	0.531	S	S	.	.	H	α-helix	trans	-59.1	-39.3	175.7	-104.8	30.1	0	0	0	111.7	S12 K20	S12-D16 PolarHBondContact O-N 2.9Å; D16-K20 VanDerWaalsContact O-CB 3.26Å; D16-K20 WeakPolarHBondContact O-CB 3.36Å; D16-K20 WeakPolarHBondContact O-CD 3.4Å; D16-K20 VanDerWaalsContact O-CG 3.24Å; D16-K20 WeakPolarHBondContact O-CG 3.5Å; D16-K20 PolarHBondContact O-N 3.17Å; D16-K20 IonicContact OD2-NZ 2.91Å
17	L	77.9	Confident	76.4	Confident	29 Å²	29	102.1 Å²	102.1	15%	0.152	52%	0.521	C	S	.	.	H	α-helix	trans	-64.4	-40.8	174.4	-118.7	145.4	0	0	0	112.6	M1 S3 I8 D13 L14 K15 S21	M1-L17 VanDerWaalsContact CE-O 3.31Å; M1-L17 WeakPolarHBondContact CE-O 3.46Å; M1-L17 HydrophobicContact SD-CD2 3.93Å; S3-L17 WeakPolarHBondContact OG-CD1 3.43Å; S3-L17 WeakPolarHBondContact OG-CD2 3.49Å; S3-L17 WeakPolarHBondContact OG-CG 3.49Å; I8-L17 HydrophobicContact CD1-CD1 3.22Å; D13-L17 WeakPolarHBondContact O-CB 3.31Å; D13-L17 PolarHBondContact O-N 3.36Å; D13-L17 VanDerWaalsContact O-N 3.16Å; L14-L17 WeakPolarHBondContact O-CB 3.44Å; L14-L17 PolarHBondContact O-N 2.99Å; K15-L17 VanDerWaalsContact C-N 3.26Å; K15-L17 PolarHBondContact O-N 3.25Å; L17-S21 WeakPolarHBondContact O-CB 3.41Å; L17-S21 PolarHBondContact O-N 3.07Å
18	V	80.8	Confident	77.7	Confident	68 Å²	68	97.9 Å²	97.9	41%	0.412	50%	0.503	S	S	.	.	H	α-helix	trans	-69.6	-42.1	179.9	171	0	0	0	0	111.5	L14 K15 S21 R22	L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 3.07Å; K15-V18 PolarHBondContact O-N 3.47Å; K15-V18 VanDerWaalsContact O-N 3.12Å; V18-S21 WeakPolarHBondContact O-CB 3.34Å; V18-S21 PolarHBondContact O-N 2.96Å; V18-R22 PolarHBondContact O-N 3.34Å
19	E	82.8	Confident	79	Confident	126 Å²	126	98.8 Å²	98.8	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-69.9	-45.6	-179.8	-170.5	165.4	-175.9	0	0	111.6	K15 S21 R22 N23	K15-E19 PolarHBondContact O-N 2.71Å; E19-S21 PolarHBondContact O-N 2.84Å; E19-R22 PolarHBondContact O-N 3.14Å; E19-R22 VanDerWaalsContact O-N 3.16Å; E19-N23 PolarHBondContact O-N 2.69Å
20	K	82.3	Confident	80.3	Confident	123 Å²	123	95.4 Å²	95.4	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-58.9	-33.6	171.2	-71	170.2	-178.9	159.5	0	110.8	M1 D16 V24	M1-K20 HydrophobicContact CE-CB 2.94Å; M1-K20 HydrophobicContact CE-CD 4.32Å; M1-K20 HydrophobicContact CE-CG 4.23Å; D16-K20 VanDerWaalsContact O-CB 3.26Å; D16-K20 WeakPolarHBondContact O-CB 3.36Å; D16-K20 WeakPolarHBondContact O-CD 3.4Å; D16-K20 VanDerWaalsContact O-CG 3.24Å; D16-K20 WeakPolarHBondContact O-CG 3.5Å; D16-K20 PolarHBondContact O-N 3.17Å; D16-K20 IonicContact OD2-NZ 2.91Å; K20-V24 WeakPolarHBondContact O-CB 3.24Å; K20-V24 WeakPolarHBondContact O-CG2 3.47Å; K20-V24 PolarHBondContact O-N 3.18Å
21	S	81.1	Confident	81.2	Confident	60 Å²	60	96.2 Å²	96.2	42%	0.42	50%	0.495	S	S	.	.	H	α-helix	trans	-70.4	-36.6	179.4	174.8	0	0	0	0	111.7	L17 V18 E19 K25	L17-S21 WeakPolarHBondContact O-CB 3.41Å; L17-S21 PolarHBondContact O-N 3.07Å; V18-S21 WeakPolarHBondContact O-CB 3.34Å; V18-S21 PolarHBondContact O-N 2.96Å; E19-S21 PolarHBondContact O-N 2.84Å; S21-K25 WeakPolarHBondContact O-CB 3.49Å; S21-K25 PolarHBondContact O-N 2.81Å
22	R	85	Confident	81.8	Confident	180 Å²	180	93.6 Å²	93.6	68%	0.679	49%	0.487	S	S	*	.	H	α-helix	trans	-67.7	-43.2	174.8	-76	-178.5	179.5	158.2	0.5	112.3	V18 E19 K25 A26	V18-R22 PolarHBondContact O-N 3.34Å; E19-R22 PolarHBondContact O-N 3.14Å; E19-R22 VanDerWaalsContact O-N 3.16Å; R22-K25 PolarHBondContact O-N 2.99Å; R22-A26 PolarHBondContact O-N 2.83Å
23	N	85.5	Confident	82.3	Confident	93 Å²	93	96.4 Å²	96.4	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-45.7	176.5	-70	-11.7	0	0	0	110.8	E19 K25 A26 D27	E19-N23 PolarHBondContact O-N 2.69Å; N23-K25 VanDerWaalsContact C-N 3.26Å; N23-K25 PolarHBondContact O-N 2.95Å; N23-A26 PolarHBondContact O-N 3.04Å; N23-A26 VanDerWaalsContact O-N 3.14Å; N23-D27 PolarHBondContact O-N 3.46Å
24	V	84.1	Confident	82.9	Confident	75 Å²	75	97 Å²	97	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-57.7	-39.1	173.7	170.4	0	0	0	0	111.7	K20 V28	K20-V24 WeakPolarHBondContact O-CB 3.24Å; K20-V24 WeakPolarHBondContact O-CG2 3.47Å; K20-V24 PolarHBondContact O-N 3.18Å; V24-V28 HydrophobicContact CG1-CG2 4.15Å; V24-V28 VanDerWaalsContact O-CB 3.3Å; V24-V28 WeakPolarHBondContact O-CB 3.35Å; V24-V28 WeakPolarHBondContact O-CG2 3.48Å; V24-V28 PolarHBondContact O-N 2.92Å
25	K	84.5	Confident	83.4	Confident	159 Å²	159	97.9 Å²	97.9	69%	0.691	50%	0.497	S	S	*	.	H	α-helix	trans	-68.5	-37.2	178.7	-167.6	178.2	-178.6	179.5	0	112.7	S21 R22 N23 S29	S21-K25 WeakPolarHBondContact O-CB 3.49Å; S21-K25 PolarHBondContact O-N 2.81Å; R22-K25 PolarHBondContact O-N 2.99Å; N23-K25 VanDerWaalsContact C-N 3.26Å; N23-K25 PolarHBondContact O-N 2.95Å; K25-S29 WeakPolarHBondContact O-CB 3.49Å; K25-S29 PolarHBondContact O-N 3.2Å; K25-S29 VanDerWaalsContact O-N 3.1Å
26	A	85.5	Confident	83.8	Confident	52 Å²	52	96.3 Å²	96.3	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-46.9	175.5	0	0	0	0	0	111	R22 N23 V28 S29 D30	R22-A26 PolarHBondContact O-N 2.83Å; N23-A26 PolarHBondContact O-N 3.04Å; N23-A26 VanDerWaalsContact O-N 3.14Å; A26-V28 PolarHBondContact O-N 3.35Å; A26-S29 WeakPolarHBondContact O-CB 3.36Å; A26-S29 PolarHBondContact O-N 3.05Å; A26-S29 VanDerWaalsContact O-N 3.13Å; A26-D30 PolarHBondContact O-N 3.45Å; A26-D30 VanDerWaalsContact O-N 3.08Å
27	D	86.1	Confident	83.9	Confident	112 Å²	112	95 Å²	95	60%	0.599	50%	0.496	S	S	*	.	H	α-helix	trans	-59.6	-46.3	177.4	-68.5	-20.9	0	0	0	111.4	N23 S29 D30 E31	N23-D27 PolarHBondContact O-N 3.46Å; D27-S29 VanDerWaalsContact C-N 3.3Å; D27-S29 PolarHBondContact O-N 3.03Å; D27-D30 PolarHBondContact O-N 2.73Å; D27-E31 WeakPolarHBondContact O-CB 3.37Å; D27-E31 PolarHBondContact O-N 3.25Å
28	V	83.5	Confident	84.2	Confident	65 Å²	65	101.4 Å²	101.4	39%	0.394	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-36.6	176.9	169.7	0	0	0	0	111.6	V24 A26 E31 I32	V24-V28 HydrophobicContact CG1-CG2 4.15Å; V24-V28 VanDerWaalsContact O-CB 3.3Å; V24-V28 WeakPolarHBondContact O-CB 3.35Å; V24-V28 WeakPolarHBondContact O-CG2 3.48Å; V24-V28 PolarHBondContact O-N 2.92Å; A26-V28 PolarHBondContact O-N 3.35Å; V28-E31 PolarHBondContact O-N 2.63Å; V28-I32 HydrophobicContact CG1-CD1 3.77Å; V28-I32 HydrophobicContact CG1-CG1 4.34Å; V28-I32 WeakPolarHBondContact O-CB 3.48Å; V28-I32 WeakPolarHBondContact O-CG1 3.36Å; V28-I32 PolarHBondContact O-N 3.31Å
29	S	86.3	Confident	84.4	Confident	55 Å²	55	105.3 Å²	105.3	39%	0.385	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-43	178.1	173.4	0	0	0	0	112.2	K25 A26 D27 I32 K33	K25-S29 WeakPolarHBondContact O-CB 3.49Å; K25-S29 PolarHBondContact O-N 3.2Å; K25-S29 VanDerWaalsContact O-N 3.1Å; A26-S29 WeakPolarHBondContact O-CB 3.36Å; A26-S29 PolarHBondContact O-N 3.05Å; A26-S29 VanDerWaalsContact O-N 3.13Å; D27-S29 VanDerWaalsContact C-N 3.3Å; D27-S29 PolarHBondContact O-N 3.03Å; S29-I32 PolarHBondContact O-N 3.12Å; S29-K33 PolarHBondContact O-N 3.36Å; S29-K33 VanDerWaalsContact O-N 3.13Å
30	D	86.2	Confident	84.4	Confident	93 Å²	93	102.8 Å²	102.8	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-71.9	-34	177.3	-78.5	-13.3	0	0	0	111.7	A26 D27 K33 N34	A26-D30 PolarHBondContact O-N 3.45Å; A26-D30 VanDerWaalsContact O-N 3.08Å; D27-D30 PolarHBondContact O-N 2.73Å; D30-K33 PolarHBondContact O-N 3.16Å; D30-N34 PolarHBondContact O-N 3.09Å; D30-N34 PolarHBondContact O-ND2 3.15Å
31	E	85.3	Confident	84.5	Confident	122 Å²	122	102.5 Å²	102.5	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-43.2	171.9	-160.1	173.4	-159.7	0	0	111.7	D27 V28 K33 N34 L35	D27-E31 WeakPolarHBondContact O-CB 3.37Å; D27-E31 PolarHBondContact O-N 3.25Å; V28-E31 PolarHBondContact O-N 2.63Å; E31-K33 PolarHBondContact O-N 2.76Å; E31-N34 PolarHBondContact O-N 3.2Å; E31-L35 HydrophobicContact CG-CD1 4.39Å; E31-L35 WeakPolarHBondContact O-CB 3.21Å; E31-L35 VanDerWaalsContact O-CG 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.48Å; E31-L35 PolarHBondContact O-N 3.46Å
32	I	83.2	Confident	84.6	Confident	89 Å²	89	104.1 Å²	104.1	46%	0.456	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.4	-73.1	167.2	0	0	0	111.5	V28 S29 L35 L36	V28-I32 HydrophobicContact CG1-CD1 3.77Å; V28-I32 HydrophobicContact CG1-CG1 4.34Å; V28-I32 WeakPolarHBondContact O-CB 3.48Å; V28-I32 WeakPolarHBondContact O-CG1 3.36Å; V28-I32 PolarHBondContact O-N 3.31Å; S29-I32 PolarHBondContact O-N 3.12Å; I32-L35 PolarHBondContact O-N 3.23Å; I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 WeakPolarHBondContact O-CB 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.46Å
33	K	85.9	Confident	84.7	Confident	135 Å²	135	99.7 Å²	99.7	59%	0.587	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-43.4	176.9	-78.3	175.8	177	170	0	111.9	S29 D30 E31 L35 L36 A37	S29-K33 PolarHBondContact O-N 3.36Å; S29-K33 VanDerWaalsContact O-N 3.13Å; D30-K33 PolarHBondContact O-N 3.16Å; E31-K33 PolarHBondContact O-N 2.76Å; K33-L35 VanDerWaalsContact C-N 3.35Å; K33-L36 PolarHBondContact O-N 3.06Å; K33-A37 PolarHBondContact O-N 2.94Å
34	N	85.7	Confident	84.6	Confident	105 Å²	105	101.5 Å²	101.5	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-64.5	-38.9	176	-76.8	-28.9	0	0	0	112.1	D30 E31 R38	D30-N34 PolarHBondContact O-N 3.09Å; D30-N34 PolarHBondContact O-ND2 3.15Å; E31-N34 PolarHBondContact O-N 3.2Å; N34-R38 WeakPolarHBondContact O-CB 3.39Å; N34-R38 WeakPolarHBondContact O-CG 3.14Å; N34-R38 PolarHBondContact O-N 2.93Å
35	L	83.3	Confident	84.6	Confident	98 Å²	98	104.1 Å²	104.1	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-66.8	-38.9	175.4	-72.6	172.4	0	0	0	112.3	E31 I32 K33 R38 R39	E31-L35 HydrophobicContact CG-CD1 4.39Å; E31-L35 WeakPolarHBondContact O-CB 3.21Å; E31-L35 VanDerWaalsContact O-CG 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.48Å; E31-L35 PolarHBondContact O-N 3.46Å; I32-L35 PolarHBondContact O-N 3.23Å; K33-L35 VanDerWaalsContact C-N 3.35Å; L35-R38 PolarHBondContact O-N 3.42Å; L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 PolarHBondContact O-N 2.96Å
36	L	84.3	Confident	84.6	Confident	103 Å²	103	100.8 Å²	100.8	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-40.2	176.2	-76.7	170.1	0	0	0	112.5	I32 K33 R39 S40	I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 WeakPolarHBondContact O-CB 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 3.46Å; K33-L36 PolarHBondContact O-N 3.06Å; L36-R39 WeakPolarHBondContact O-CB 3.48Å; L36-R39 PolarHBondContact O-N 3.36Å; L36-S40 PolarHBondContact O-N 3.02Å
37	A	83.4	Confident	84.7	Confident	54 Å²	54	105.5 Å²	105.5	45%	0.446	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-41.6	173.7	0	0	0	0	0	111.9	K33 R39 S40 E41	K33-A37 PolarHBondContact O-N 2.94Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-R39 PolarHBondContact O-N 3.48Å; A37-S40 PolarHBondContact O-OG 3.35Å; A37-E41 PolarHBondContact O-N 2.82Å
38	R	83.5	Confident	84.6	Confident	162 Å²	162	106.7 Å²	106.7	61%	0.611	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-35.7	173.3	-78	177.6	174.8	165.8	0.1	112.3	N34 L35 E41 I42	N34-R38 WeakPolarHBondContact O-CB 3.39Å; N34-R38 WeakPolarHBondContact O-CG 3.14Å; N34-R38 PolarHBondContact O-N 2.93Å; L35-R38 PolarHBondContact O-N 3.42Å; R38-E41 PolarHBondContact O-N 2.67Å; R38-I42 HydrophobicContact CB-CD1 4.37Å; R38-I42 WeakPolarHBondContact O-CB 3.5Å; R38-I42 WeakPolarHBondContact O-CD1 3.38Å; R38-I42 WeakPolarHBondContact O-CG1 3.02Å; R38-I42 PolarHBondContact O-N 3.37Å
39	R	84.6	Confident	84.6	Confident	151 Å²	151	108 Å²	108	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-62	-44.2	179.7	-177.3	179.5	172.5	171.6	2.6	112	L35 L36 A37 I42 E43	L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 PolarHBondContact O-N 2.96Å; L36-R39 WeakPolarHBondContact O-CB 3.48Å; L36-R39 PolarHBondContact O-N 3.36Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-R39 PolarHBondContact O-N 3.48Å; R39-I42 PolarHBondContact O-N 3.39Å; R39-E43 HydrophobicContact CG-CG 4.46Å; R39-E43 IonicContact CZ-OE1 3.81Å; R39-E43 IonicContact NE-OE1 3.96Å; R39-E43 PolarHBondContact NE-OE1 3.26Å; R39-E43 IonicContact NH2-OE1 3.15Å; R39-E43 WeakPolarHBondContact O-CB 3.45Å; R39-E43 WeakPolarHBondContact O-CG 3.36Å; R39-E43 PolarHBondContact O-N 3.28Å
40	S	82.3	Confident	84.5	Confident	73 Å²	73	110 Å²	110	51%	0.51	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-39.5	178.9	59.9	0	0	0	0	112	L36 A37 E43 H44	L36-S40 PolarHBondContact O-N 3.02Å; A37-S40 PolarHBondContact O-OG 3.35Å; S40-E43 PolarHBondContact O-N 2.96Å; S40-H44 WeakPolarHBondContact O-CB 3.27Å; S40-H44 PolarHBondContact O-N 3.17Å
41	E	85.3	Confident	84.5	Confident	116 Å²	116	109.2 Å²	109.2	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-43.2	172.1	-71.9	-174	-178	0	0	112.5	A37 R38 H44 K45	A37-E41 PolarHBondContact O-N 2.82Å; R38-E41 PolarHBondContact O-N 2.67Å; E41-H44 PolarHBondContact O-N 3.19Å; E41-K45 WeakPolarHBondContact O-CB 3.42Å; E41-K45 WeakPolarHBondContact O-CG 3.31Å; E41-K45 PolarHBondContact O-N 3.36Å
42	I	82.8	Confident	84.4	Confident	94 Å²	94	107.2 Å²	107.2	48%	0.482	53%	0.527	S	S	.	.	H	α-helix	trans	-64.3	-43.9	178.2	-71.8	164.4	0	0	0	110.4	R38 R39 H44 K45 L46	R38-I42 HydrophobicContact CB-CD1 4.37Å; R38-I42 WeakPolarHBondContact O-CB 3.5Å; R38-I42 WeakPolarHBondContact O-CD1 3.38Å; R38-I42 WeakPolarHBondContact O-CG1 3.02Å; R38-I42 PolarHBondContact O-N 3.37Å; R39-I42 PolarHBondContact O-N 3.39Å; I42-H44 VanDerWaalsContact C-N 3.31Å; I42-H44 PolarHBondContact O-N 3.43Å; I42-K45 PolarHBondContact O-N 3.43Å; I42-L46 HydrophobicContact CG2-CD1 3.84Å; I42-L46 VanDerWaalsContact O-CB 3.32Å; I42-L46 WeakPolarHBondContact O-CB 3.27Å; I42-L46 PolarHBondContact O-N 3.48Å
43	E	86.5	Confident	84.5	Confident	87 Å²	87	106.5 Å²	106.5	41%	0.407	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-38.7	176.5	-77.1	178.4	-170.1	0	0	111.6	R39 S40 L46 K47	R39-E43 HydrophobicContact CG-CG 4.46Å; R39-E43 IonicContact CZ-OE1 3.81Å; R39-E43 IonicContact NE-OE1 3.96Å; R39-E43 PolarHBondContact NE-OE1 3.26Å; R39-E43 IonicContact NH2-OE1 3.15Å; R39-E43 WeakPolarHBondContact O-CB 3.45Å; R39-E43 WeakPolarHBondContact O-CG 3.36Å; R39-E43 PolarHBondContact O-N 3.28Å; S40-E43 PolarHBondContact O-N 2.96Å; E43-L46 PolarHBondContact O-N 2.78Å; E43-K47 WeakPolarHBondContact O-CG 3.24Å; E43-K47 PolarHBondContact O-N 3.26Å
44	H	84.1	Confident	84.5	Confident	131 Å²	131	103.3 Å²	103.3	61%	0.606	52%	0.516	S	S	*	.	H	α-helix	trans	-69.5	-37.4	177.2	-143.7	-45.8	0	0	0	112.5	S40 E41 I42 K48	S40-H44 WeakPolarHBondContact O-CB 3.27Å; S40-H44 PolarHBondContact O-N 3.17Å; E41-H44 PolarHBondContact O-N 3.19Å; I42-H44 VanDerWaalsContact C-N 3.31Å; I42-H44 PolarHBondContact O-N 3.43Å; H44-K48 PolarHBondContact O-N 3.14Å
45	K	85	Confident	84.5	Confident	131 Å²	131	102.3 Å²	102.3	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-68.2	-41.3	172.2	-73.7	176.6	-178	172.6	0	111.6	E41 I42 K47 K48 I49	E41-K45 WeakPolarHBondContact O-CB 3.42Å; E41-K45 WeakPolarHBondContact O-CG 3.31Å; E41-K45 PolarHBondContact O-N 3.36Å; I42-K45 PolarHBondContact O-N 3.43Å; K45-K47 PolarHBondContact O-N 2.9Å; K45-K48 PolarHBondContact O-N 3Å; K45-I49 WeakPolarHBondContact O-CG1 3.45Å; K45-I49 PolarHBondContact O-N 3.28Å
46	L	84.8	Confident	84.5	Confident	89 Å²	89	103.7 Å²	103.7	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-40.9	175.4	-95.4	162.4	0	0	0	111.8	I42 E43 I49 N50	I42-L46 HydrophobicContact CG2-CD1 3.84Å; I42-L46 VanDerWaalsContact O-CB 3.32Å; I42-L46 WeakPolarHBondContact O-CB 3.27Å; I42-L46 PolarHBondContact O-N 3.48Å; E43-L46 PolarHBondContact O-N 2.78Å; L46-I49 PolarHBondContact O-N 3.4Å; L46-N50 WeakPolarHBondContact O-CB 3.35Å; L46-N50 PolarHBondContact O-N 3.41Å
47	K	86.2	Confident	84.6	Confident	150 Å²	150	104.1 Å²	104.1	65%	0.652	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-42.7	173.6	-77.6	-178.1	-178.4	177	0	112.3	E43 K45 N50 S51	E43-K47 WeakPolarHBondContact O-CG 3.24Å; E43-K47 PolarHBondContact O-N 3.26Å; K45-K47 PolarHBondContact O-N 2.9Å; K47-N50 PolarHBondContact O-N 3.15Å; K47-S51 PolarHBondContact O-N 3.48Å; K47-S51 PolarHBondContact O-OG 3.26Å
48	K	85.5	Confident	84.7	Confident	137 Å²	137	107.8 Å²	107.8	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-62.1	-43.7	174	-82.8	-173.1	176.1	-177.9	0	112.1	H44 K45 S51 L52	H44-K48 PolarHBondContact O-N 3.14Å; K45-K48 PolarHBondContact O-N 3Å; K48-S51 WeakPolarHBondContact CA-OG 3.33Å; K48-S51 PolarHBondContact O-N 3.02Å; K48-S51 PolarHBondContact O-OG 3.1Å; K48-L52 VanDerWaalsContact O-CG 3.29Å; K48-L52 WeakPolarHBondContact O-CG 3.39Å; K48-L52 PolarHBondContact O-N 3.27Å; K48-L52 VanDerWaalsContact O-N 3.13Å
49	I	82.1	Confident	84.8	Confident	93 Å²	93	105.2 Å²	105.2	48%	0.477	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-46.7	175.5	-69.7	168.4	0	0	0	109.8	K45 L46 S51 L52 I53	K45-I49 WeakPolarHBondContact O-CG1 3.45Å; K45-I49 PolarHBondContact O-N 3.28Å; L46-I49 PolarHBondContact O-N 3.4Å; I49-S51 VanDerWaalsContact C-N 3.29Å; I49-S51 PolarHBondContact O-N 2.89Å; I49-L52 CarbonylContact O-C 3.55Å; I49-L52 WeakPolarHBondContact O-CA 3.38Å; I49-L52 WeakPolarHBondContact O-CB 3.22Å; I49-L52 PolarHBondContact O-N 3.34Å; I49-I53 HydrophobicContact CG2-CG1 4.45Å; I49-I53 WeakPolarHBondContact O-CG1 3.2Å; I49-I53 PolarHBondContact O-N 2.56Å
50	N	84.9	Confident	84.9	Confident	97 Å²	97	102.8 Å²	102.8	52%	0.519	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-36.7	177.7	-84.2	-8.6	0	0	0	112.9	L46 K47 L52 I53 P54	L46-N50 WeakPolarHBondContact O-CB 3.35Å; L46-N50 PolarHBondContact O-N 3.41Å; K47-N50 PolarHBondContact O-N 3.15Å; N50-L52 VanDerWaalsContact C-N 3.27Å; N50-L52 PolarHBondContact O-N 3.4Å; N50-I53 PolarHBondContact O-N 3.28Å; N50-I53 VanDerWaalsContact OD1-CD1 3.25Å; N50-I53 WeakPolarHBondContact OD1-CD1 3.1Å; N50-P54 WeakPolarHBondContact O-CD 3.44Å
51	S	85.6	Confident	85.1	Confident	77 Å²	77	102.6 Å²	102.6	54%	0.538	51%	0.507	S	S	.	.	H	α-helix	trans	-69.1	-25.5	172.6	56.3	0	0	0	0	113.4	K47 K48 I49 P54	K47-S51 PolarHBondContact O-N 3.48Å; K47-S51 PolarHBondContact O-OG 3.26Å; K48-S51 WeakPolarHBondContact CA-OG 3.33Å; K48-S51 PolarHBondContact O-N 3.02Å; K48-S51 PolarHBondContact O-OG 3.1Å; I49-S51 VanDerWaalsContact C-N 3.29Å; I49-S51 PolarHBondContact O-N 2.89Å; S51-P54 WeakPolarHBondContact O-CD 3.22Å
52	L	84.5	Confident	85.3	Confident	80 Å²	80	101.4 Å²	101.4	42%	0.419	50%	0.504	S	S	.	.	H	α-helix	trans	-87	-19.4	177.2	-68.5	167	0	0	0	112.9	K48 I49 N50 D55 F56	K48-L52 VanDerWaalsContact O-CG 3.29Å; K48-L52 WeakPolarHBondContact O-CG 3.39Å; K48-L52 PolarHBondContact O-N 3.27Å; K48-L52 VanDerWaalsContact O-N 3.13Å; I49-L52 CarbonylContact O-C 3.55Å; I49-L52 WeakPolarHBondContact O-CA 3.38Å; I49-L52 WeakPolarHBondContact O-CB 3.22Å; I49-L52 PolarHBondContact O-N 3.34Å; N50-L52 VanDerWaalsContact C-N 3.27Å; N50-L52 PolarHBondContact O-N 3.4Å; L52-D55 CarbonylContact O-C 3.48Å; L52-D55 WeakPolarHBondContact O-CA 3.48Å; L52-D55 PolarHBondContact O-N 3.17Å; L52-F56 HydrophobicContact CB-CD2 3.94Å; L52-F56 HydrophobicContact CB-CE2 3.95Å; L52-F56 VanDerWaalsContact O-CD2 3.31Å; L52-F56 WeakPolarHBondContact O-CD2 3.45Å; L52-F56 PolarHBondContact O-N 2.94Å
53	I	85	Confident	85.5	Confident	73 Å²	73	99.7 Å²	99.7	37%	0.374	50%	0.504	S	S	.	.	H	α-helix	trans	-53.2	-45.1	179	-72.3	172.3	0	0	0	112.5	I49 N50 D55 F56 H57	I49-I53 HydrophobicContact CG2-CG1 4.45Å; I49-I53 WeakPolarHBondContact O-CG1 3.2Å; I49-I53 PolarHBondContact O-N 2.56Å; N50-I53 PolarHBondContact O-N 3.28Å; N50-I53 VanDerWaalsContact OD1-CD1 3.25Å; N50-I53 WeakPolarHBondContact OD1-CD1 3.1Å; I53-D55 VanDerWaalsContact C-N 3.3Å; I53-D55 PolarHBondContact O-N 2.95Å; I53-F56 PolarHBondContact O-N 3.46Å; I53-H57 PolarHBondContact O-N 3.29Å
54	P	85.5	Confident	85.5	Confident	68 Å²	68	99.5 Å²	99.5	44%	0.442	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-37.1	175.7	-22.3	33.1	0	0	0	112.9	N50 S51 H57 K58	N50-P54 WeakPolarHBondContact O-CD 3.44Å; S51-P54 WeakPolarHBondContact O-CD 3.22Å; P54-H57 PolarHBondContact O-N 2.94Å; P54-K58 WeakPolarHBondContact O-CG 3.39Å; P54-K58 PolarHBondContact O-N 3.24Å
55	D	85.2	Confident	85.7	Confident	85 Å²	85	96.7 Å²	96.7	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-73	-36.7	177.7	-68.3	-24.6	0	0	0	111.5	L52 I53 H57 K58 L59	L52-D55 CarbonylContact O-C 3.48Å; L52-D55 WeakPolarHBondContact O-CA 3.48Å; L52-D55 PolarHBondContact O-N 3.17Å; I53-D55 VanDerWaalsContact C-N 3.3Å; I53-D55 PolarHBondContact O-N 2.95Å; D55-H57 VanDerWaalsContact C-N 3.34Å; D55-K58 PolarHBondContact O-N 3.42Å; D55-K58 IonicContact OD1-NZ 3.36Å; D55-L59 VanDerWaalsContact O-CB 3.22Å; D55-L59 WeakPolarHBondContact O-CB 3.23Å; D55-L59 PolarHBondContact O-N 2.74Å
56	F	83.9	Confident	85.6	Confident	126 Å²	126	93.6 Å²	93.6	55%	0.553	49%	0.487	S	S	*	.	H	α-helix	trans	-63.5	-38.8	169.5	-85.4	-69.5	0	0	0	111.7	L52 I53 L59 Q60	L52-F56 HydrophobicContact CB-CD2 3.94Å; L52-F56 HydrophobicContact CB-CE2 3.95Å; L52-F56 VanDerWaalsContact O-CD2 3.31Å; L52-F56 WeakPolarHBondContact O-CD2 3.45Å; L52-F56 PolarHBondContact O-N 2.94Å; I53-F56 PolarHBondContact O-N 3.46Å; F56-L59 PolarHBondContact O-N 2.81Å; F56-Q60 VanDerWaalsContact O-CB 3.25Å; F56-Q60 WeakPolarHBondContact O-CB 3.45Å; F56-Q60 PolarHBondContact O-N 2.65Å
57	H	85.2	Confident	85.8	Confident	113 Å²	113	93.4 Å²	93.4	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-43.9	173.5	-102	-56.7	0	0	0	111.7	I53 P54 D55 L59 Q60 V61	I53-H57 PolarHBondContact O-N 3.29Å; P54-H57 PolarHBondContact O-N 2.94Å; D55-H57 VanDerWaalsContact C-N 3.34Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 3.21Å; H57-Q60 PolarHBondContact O-N 3.46Å; H57-V61 WeakPolarHBondContact O-CB 3.42Å; H57-V61 VanDerWaalsContact O-CG2 3.24Å; H57-V61 WeakPolarHBondContact O-CG2 3.12Å; H57-V61 PolarHBondContact O-N 3.41Å
58	K	86	Confident	85.9	Confident	130 Å²	130	92.1 Å²	92.1	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-61.5	-41.8	172.9	-73.1	173.4	-173.4	169.6	0	111.3	P54 D55 V61 N62	P54-K58 WeakPolarHBondContact O-CG 3.39Å; P54-K58 PolarHBondContact O-N 3.24Å; D55-K58 PolarHBondContact O-N 3.42Å; D55-K58 IonicContact OD1-NZ 3.36Å; K58-V61 PolarHBondContact O-N 3.42Å; K58-N62 WeakPolarHBondContact O-CB 3.47Å; K58-N62 PolarHBondContact O-N 2.94Å; K58-N62 PolarHBondContact O-ND2 3.46Å
59	L	86.1	Confident	86	Confident	108 Å²	108	91.4 Å²	91.4	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-66.9	-40.4	178.1	-170	71.7	0	0	0	111.1	D55 F56 H57 N62 A63	D55-L59 VanDerWaalsContact O-CB 3.22Å; D55-L59 WeakPolarHBondContact O-CB 3.23Å; D55-L59 PolarHBondContact O-N 2.74Å; F56-L59 PolarHBondContact O-N 2.81Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 3.21Å; L59-N62 CarbonylContact O-C 3.5Å; L59-N62 PolarHBondContact O-N 3Å; L59-A63 WeakPolarHBondContact O-CB 3.32Å; L59-A63 PolarHBondContact O-N 3.09Å
60	Q	87.1	Confident	86.2	Confident	101 Å²	101	91.7 Å²	91.7	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-46.8	174.7	-178	-177.5	-9.1	0	0	110.5	F56 H57 N62 A63 E64	F56-Q60 VanDerWaalsContact O-CB 3.25Å; F56-Q60 WeakPolarHBondContact O-CB 3.45Å; F56-Q60 PolarHBondContact O-N 2.65Å; H57-Q60 PolarHBondContact O-N 3.46Å; Q60-N62 VanDerWaalsContact C-N 3.31Å; Q60-N62 PolarHBondContact O-N 2.85Å; Q60-A63 PolarHBondContact O-N 3.12Å; Q60-E64 PolarHBondContact NE2-OE1 3.26Å; Q60-E64 WeakPolarHBondContact O-CB 3.38Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 2.96Å
61	V	87	Confident	86.4	Confident	69 Å²	69	88.5 Å²	88.5	42%	0.418	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-41.1	175.6	171.1	0	0	0	0	110.6	H57 K58 E64 N65	H57-V61 WeakPolarHBondContact O-CB 3.42Å; H57-V61 VanDerWaalsContact O-CG2 3.24Å; H57-V61 WeakPolarHBondContact O-CG2 3.12Å; H57-V61 PolarHBondContact O-N 3.41Å; K58-V61 PolarHBondContact O-N 3.42Å; V61-E64 PolarHBondContact O-N 2.93Å; V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 PolarHBondContact O-N 2.68Å; V61-N65 PolarHBondContact O-ND2 3.39Å
62	N	87.8	Confident	86.4	Confident	91 Å²	91	88.3 Å²	88.3	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-68.4	-36.1	176.2	-73.1	-15.3	0	0	0	112.4	K58 L59 Q60 S66	K58-N62 WeakPolarHBondContact O-CB 3.47Å; K58-N62 PolarHBondContact O-N 2.94Å; K58-N62 PolarHBondContact O-ND2 3.46Å; L59-N62 CarbonylContact O-C 3.5Å; L59-N62 PolarHBondContact O-N 3Å; Q60-N62 VanDerWaalsContact C-N 3.31Å; Q60-N62 PolarHBondContact O-N 2.85Å; N62-S66 WeakPolarHBondContact O-CB 3.42Å; N62-S66 PolarHBondContact O-N 3.04Å; N62-S66 PolarHBondContact O-OG 3.38Å
63	A	86.8	Confident	86.4	Confident	57 Å²	57	87 Å²	87	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-72.1	-38.8	176.2	0	0	0	0	0	111	L59 Q60 S66 S67	L59-A63 WeakPolarHBondContact O-CB 3.32Å; L59-A63 PolarHBondContact O-N 3.09Å; Q60-A63 PolarHBondContact O-N 3.12Å; A63-S66 PolarHBondContact O-N 3.44Å; A63-S67 WeakPolarHBondContact O-CB 3.31Å; A63-S67 PolarHBondContact O-N 3.32Å
64	E	87.7	Confident	86.4	Confident	84 Å²	84	86.5 Å²	86.5	39%	0.393	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-43.8	170.7	-80.1	-177.5	-161	0	0	111	Q60 V61 S66 S67 K68	Q60-E64 PolarHBondContact NE2-OE1 3.26Å; Q60-E64 WeakPolarHBondContact O-CB 3.38Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 2.96Å; V61-E64 PolarHBondContact O-N 2.93Å; E64-S66 VanDerWaalsContact C-N 3.34Å; E64-S67 PolarHBondContact O-N 3.14Å; E64-K68 VanDerWaalsContact O-CB 3.28Å; E64-K68 WeakPolarHBondContact O-CB 3.14Å; E64-K68 WeakPolarHBondContact O-CG 3.22Å; E64-K68 PolarHBondContact O-N 3.03Å
65	N	88.7	Confident	86.3	Confident	72 Å²	72	90.3 Å²	90.3	39%	0.385	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-39.6	175.8	-72.4	-18.7	0	0	0	111.3	V61 K68 L69	V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 PolarHBondContact O-N 2.68Å; V61-N65 PolarHBondContact O-ND2 3.39Å; N65-K68 PolarHBondContact O-N 2.95Å; N65-L69 VanDerWaalsContact O-CB 3.29Å; N65-L69 WeakPolarHBondContact O-CB 3.2Å; N65-L69 WeakPolarHBondContact O-CD1 3.29Å; N65-L69 VanDerWaalsContact O-CG 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.32Å; N65-L69 PolarHBondContact O-N 2.84Å
66	S	83.2	Confident	86.2	Confident	65 Å²	65	91.5 Å²	91.5	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-69.6	-40.6	175.8	-62.4	0	0	0	0	111.5	N62 A63 E64 K68 L69 V70	N62-S66 WeakPolarHBondContact O-CB 3.42Å; N62-S66 PolarHBondContact O-N 3.04Å; N62-S66 PolarHBondContact O-OG 3.38Å; A63-S66 PolarHBondContact O-N 3.44Å; E64-S66 VanDerWaalsContact C-N 3.34Å; S66-K68 VanDerWaalsContact C-N 3.33Å; S66-L69 PolarHBondContact O-N 3.12Å; S66-V70 VanDerWaalsContact O-CB 3.28Å; S66-V70 WeakPolarHBondContact O-CB 3.36Å; S66-V70 WeakPolarHBondContact O-CG2 3.1Å; S66-V70 PolarHBondContact O-N 3.09Å
67	S	88	Confident	86.2	Confident	85 Å²	85	88.2 Å²	88.2	59%	0.594	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-39.7	173.4	178.7	0	0	0	0	111.1	A63 E64 G71	A63-S67 WeakPolarHBondContact O-CB 3.31Å; A63-S67 PolarHBondContact O-N 3.32Å; E64-S67 PolarHBondContact O-N 3.14Å; S67-G71 WeakPolarHBondContact O-CA 3.24Å; S67-G71 PolarHBondContact O-N 3.24Å
68	K	89	Confident	86.1	Confident	124 Å²	124	88.6 Å²	88.6	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-43.6	171.6	-73.5	168.1	-171.4	167.4	0	111.5	E64 N65 S66 G71 C72	E64-K68 VanDerWaalsContact O-CB 3.28Å; E64-K68 WeakPolarHBondContact O-CB 3.14Å; E64-K68 WeakPolarHBondContact O-CG 3.22Å; E64-K68 PolarHBondContact O-N 3.03Å; N65-K68 PolarHBondContact O-N 2.95Å; S66-K68 VanDerWaalsContact C-N 3.33Å; K68-G71 PolarHBondContact O-N 3.29Å; K68-C72 VanDerWaalsContact O-CB 3.25Å; K68-C72 WeakPolarHBondContact O-CB 3.45Å; K68-C72 PolarHBondContact O-N 3.43Å; K68-C72 PolarHBondContact O-SG 3.38Å
69	L	86.6	Confident	86	Confident	121 Å²	121	88 Å²	88	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-65.3	-44.7	177.3	-83.7	160.4	0	0	0	111.8	N65 S66 C72 A73	N65-L69 VanDerWaalsContact O-CB 3.29Å; N65-L69 WeakPolarHBondContact O-CB 3.2Å; N65-L69 WeakPolarHBondContact O-CD1 3.29Å; N65-L69 VanDerWaalsContact O-CG 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.32Å; N65-L69 PolarHBondContact O-N 2.84Å; S66-L69 PolarHBondContact O-N 3.12Å; L69-C72 PolarHBondContact O-N 3.18Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 2.94Å
70	V	86.5	Confident	85.8	Confident	99 Å²	99	88.4 Å²	88.4	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-38.8	175.1	171.5	0	0	0	0	110.3	S66 A73 S74	S66-V70 VanDerWaalsContact O-CB 3.28Å; S66-V70 WeakPolarHBondContact O-CB 3.36Å; S66-V70 WeakPolarHBondContact O-CG2 3.1Å; S66-V70 PolarHBondContact O-N 3.09Å; V70-A73 PolarHBondContact O-N 3.09Å; V70-S74 WeakPolarHBondContact O-CA 3.35Å; V70-S74 WeakPolarHBondContact O-CB 3.29Å; V70-S74 PolarHBondContact O-N 3.32Å
71	G	89.2	Confident	85.7	Confident	31 Å²	31	86.2 Å²	86.2	32%	0.32	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-41.2	173	0	0	0	0	0	112.3	S67 K68 K75	S67-G71 WeakPolarHBondContact O-CA 3.24Å; S67-G71 PolarHBondContact O-N 3.24Å; K68-G71 PolarHBondContact O-N 3.29Å; G71-K75 WeakPolarHBondContact O-CB 3.31Å; G71-K75 VanDerWaalsContact O-CG 3.29Å; G71-K75 WeakPolarHBondContact O-CG 3.24Å; G71-K75 PolarHBondContact O-N 3.02Å
72	C	85.1	Confident	85.7	Confident	73 Å²	73	84.1 Å²	84.1	49%	0.493	49%	0.493	S	S	.	.	H	α-helix	trans	-67.3	-43.6	173.2	-76.5	0	0	0	0	111.5	K68 L69 K75 L76	K68-C72 VanDerWaalsContact O-CB 3.25Å; K68-C72 WeakPolarHBondContact O-CB 3.45Å; K68-C72 PolarHBondContact O-N 3.43Å; K68-C72 PolarHBondContact O-SG 3.38Å; L69-C72 PolarHBondContact O-N 3.18Å; C72-K75 PolarHBondContact O-N 3.38Å; C72-L76 VanDerWaalsContact O-CB 3.3Å; C72-L76 WeakPolarHBondContact O-CB 3.19Å; C72-L76 VanDerWaalsContact O-CG 3.29Å; C72-L76 WeakPolarHBondContact O-CG 3.03Å; C72-L76 PolarHBondContact O-N 2.78Å
73	A	84.7	Confident	85.5	Confident	53 Å²	53	86.3 Å²	86.3	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-66.6	-38.6	177.1	0	0	0	0	0	111.4	L69 V70 L76 A77	L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 2.94Å; V70-A73 PolarHBondContact O-N 3.09Å; A73-L76 PolarHBondContact O-N 3.48Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.06Å
74	S	84.5	Confident	85.5	Confident	62 Å²	62	86.9 Å²	86.9	43%	0.434	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-45.2	173.3	174.2	0	0	0	0	111.1	V70 L76 A77 L78	V70-S74 WeakPolarHBondContact O-CA 3.35Å; V70-S74 WeakPolarHBondContact O-CB 3.29Å; V70-S74 PolarHBondContact O-N 3.32Å; S74-L76 VanDerWaalsContact C-N 3.35Å; S74-L76 PolarHBondContact O-N 2.84Å; S74-A77 PolarHBondContact O-N 3.31Å; S74-L78 WeakPolarHBondContact O-CB 3.38Å; S74-L78 WeakPolarHBondContact O-CG 3.4Å; S74-L78 PolarHBondContact O-N 3.05Å
75	K	84.7	Confident	85.3	Confident	147 Å²	147	89 Å²	89	64%	0.639	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-42.5	172.4	-78.1	178	-178.6	-179.3	0	112	G71 C72 L78 Q79	G71-K75 WeakPolarHBondContact O-CB 3.31Å; G71-K75 VanDerWaalsContact O-CG 3.29Å; G71-K75 WeakPolarHBondContact O-CG 3.24Å; G71-K75 PolarHBondContact O-N 3.02Å; C72-K75 PolarHBondContact O-N 3.38Å; K75-L78 PolarHBondContact O-N 2.79Å; K75-Q79 VanDerWaalsContact O-CB 3.29Å; K75-Q79 WeakPolarHBondContact O-CB 3.33Å; K75-Q79 VanDerWaalsContact O-CG 3.23Å; K75-Q79 WeakPolarHBondContact O-CG 3.47Å; K75-Q79 PolarHBondContact O-N 3.15Å
76	L	83.2	Confident	85.2	Confident	110 Å²	110	92 Å²	92	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-65.2	-40.5	175.3	-79.1	168.1	0	0	0	111.4	C72 A73 S74 Q79 L80	C72-L76 VanDerWaalsContact O-CB 3.3Å; C72-L76 WeakPolarHBondContact O-CB 3.19Å; C72-L76 VanDerWaalsContact O-CG 3.29Å; C72-L76 WeakPolarHBondContact O-CG 3.03Å; C72-L76 PolarHBondContact O-N 2.78Å; A73-L76 PolarHBondContact O-N 3.48Å; S74-L76 VanDerWaalsContact C-N 3.35Å; S74-L76 PolarHBondContact O-N 2.84Å; L76-Q79 PolarHBondContact O-N 3.41Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 2.83Å
77	A	83.4	Confident	85.3	Confident	58 Å²	58	94.4 Å²	94.4	48%	0.479	53%	0.525	S	S	.	.	H	α-helix	trans	-68.4	-39.3	176.9	0	0	0	0	0	111.5	A73 S74 L80 S81	A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.06Å; S74-A77 PolarHBondContact O-N 3.31Å; A77-L80 PolarHBondContact O-N 3.15Å; A77-S81 WeakPolarHBondContact O-CA 3.39Å; A77-S81 WeakPolarHBondContact O-CB 3.43Å; A77-S81 PolarHBondContact O-N 3.33Å
78	L	83	Confident	85.4	Confident	121 Å²	121	93.6 Å²	93.6	63%	0.634	51%	0.514	S	S	*	.	H	α-helix	trans	-67.5	-38.6	172.6	-74.9	171	0	0	0	111.6	S74 K75 G82	S74-L78 WeakPolarHBondContact O-CB 3.38Å; S74-L78 WeakPolarHBondContact O-CG 3.4Å; S74-L78 PolarHBondContact O-N 3.05Å; K75-L78 PolarHBondContact O-N 2.79Å; L78-G82 WeakPolarHBondContact O-CA 3.45Å; L78-G82 PolarHBondContact O-N 3.47Å
79	Q	84.3	Confident	85.3	Confident	117 Å²	117	95 Å²	95	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-39.2	173.8	-77.3	-179.7	-11.1	0	0	112.1	K75 L76 K83	K75-Q79 VanDerWaalsContact O-CB 3.29Å; K75-Q79 WeakPolarHBondContact O-CB 3.33Å; K75-Q79 VanDerWaalsContact O-CG 3.23Å; K75-Q79 WeakPolarHBondContact O-CG 3.47Å; K75-Q79 PolarHBondContact O-N 3.15Å; L76-Q79 PolarHBondContact O-N 3.41Å; Q79-K83 VanDerWaalsContact O-CB 3.28Å; Q79-K83 WeakPolarHBondContact O-CB 3.35Å; Q79-K83 VanDerWaalsContact O-CG 3.23Å; Q79-K83 WeakPolarHBondContact O-CG 3.46Å; Q79-K83 PolarHBondContact O-N 3.28Å
80	L	81.8	Confident	85.2	Confident	117 Å²	117	93.2 Å²	93.2	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-71.7	-45.1	177.7	-166	75.9	0	0	0	110.1	L76 A77 K83 V84	L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 2.83Å; A77-L80 PolarHBondContact O-N 3.15Å; L80-K83 CarbonylContact O-C 3.58Å; L80-K83 PolarHBondContact O-N 2.74Å; L80-V84 WeakPolarHBondContact O-CB 3.41Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.45Å
81	S	84.3	Confident	85.2	Confident	55 Å²	55	94.2 Å²	94.2	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-60.5	-47.2	173.6	-168	0	0	0	0	110.9	A77 K83 V84 E85	A77-S81 WeakPolarHBondContact O-CA 3.39Å; A77-S81 WeakPolarHBondContact O-CB 3.43Å; A77-S81 PolarHBondContact O-N 3.33Å; S81-K83 VanDerWaalsContact C-N 3.32Å; S81-K83 PolarHBondContact O-N 3.29Å; S81-V84 CarbonylContact O-C 3.52Å; S81-V84 PolarHBondContact O-N 3.09Å; S81-V84 VanDerWaalsContact O-N 3.12Å; S81-E85 WeakPolarHBondContact O-CB 3.47Å; S81-E85 WeakPolarHBondContact O-CG 3.46Å; S81-E85 PolarHBondContact O-N 3.13Å
82	G	86.4	Confident	85.1	Confident	24 Å²	24	96.9 Å²	96.9	25%	0.247	52%	0.518	C	S	.	.	H	α-helix	trans	-62.5	-38.1	175.5	0	0	0	0	0	112.5	L78 Q86	L78-G82 WeakPolarHBondContact O-CA 3.45Å; L78-G82 PolarHBondContact O-N 3.47Å; G82-Q86 WeakPolarHBondContact O-CB 3.32Å; G82-Q86 WeakPolarHBondContact O-CG 3.48Å; G82-Q86 PolarHBondContact O-N 3.42Å
83	K	84.5	Confident	85.1	Confident	138 Å²	138	98.8 Å²	98.8	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-68.2	-36.7	171.9	-79.4	174.3	-179.6	178.5	0	112.5	Q79 L80 S81 L87	Q79-K83 VanDerWaalsContact O-CB 3.28Å; Q79-K83 WeakPolarHBondContact O-CB 3.35Å; Q79-K83 VanDerWaalsContact O-CG 3.23Å; Q79-K83 WeakPolarHBondContact O-CG 3.46Å; Q79-K83 PolarHBondContact O-N 3.28Å; L80-K83 CarbonylContact O-C 3.58Å; L80-K83 PolarHBondContact O-N 2.74Å; S81-K83 VanDerWaalsContact C-N 3.32Å; S81-K83 PolarHBondContact O-N 3.29Å; K83-L87 VanDerWaalsContact O-CB 3.24Å; K83-L87 WeakPolarHBondContact O-CB 3.35Å; K83-L87 PolarHBondContact O-N 3.08Å
84	V	87.4	Confident	85.3	Confident	69 Å²	69	99.9 Å²	99.9	42%	0.418	52%	0.52	S	S	.	.	H	α-helix	trans	-70.8	-40.8	177.5	169	0	0	0	0	110.3	L80 S81 L87 D88	L80-V84 WeakPolarHBondContact O-CB 3.41Å; L80-V84 WeakPolarHBondContact O-CG2 3.33Å; L80-V84 PolarHBondContact O-N 3.45Å; S81-V84 CarbonylContact O-C 3.52Å; S81-V84 PolarHBondContact O-N 3.09Å; S81-V84 VanDerWaalsContact O-N 3.12Å; V84-L87 CarbonylContact O-C 3.54Å; V84-L87 WeakPolarHBondContact O-CB 3.37Å; V84-L87 PolarHBondContact O-N 3.4Å; V84-D88 WeakPolarHBondContact O-CB 3.44Å; V84-D88 PolarHBondContact O-N 3.15Å
85	E	83	Confident	85.5	Confident	127 Å²	127	100.6 Å²	100.6	59%	0.593	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-42.8	172.3	-75.9	173.7	-165.5	0	0	111.4	S81 L87 D88 F89	S81-E85 WeakPolarHBondContact O-CB 3.47Å; S81-E85 WeakPolarHBondContact O-CG 3.46Å; S81-E85 PolarHBondContact O-N 3.13Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-D88 PolarHBondContact O-N 3.31Å; E85-F89 VanDerWaalsContact O-CB 3.25Å; E85-F89 WeakPolarHBondContact O-CB 3.3Å; E85-F89 PolarHBondContact O-N 2.95Å
86	Q	86.4	Confident	85.4	Confident	136 Å²	136	100.1 Å²	100.1	64%	0.636	52%	0.517	S	S	*	.	H	α-helix	trans	-62.7	-41.7	172.3	-76.3	175.3	3.2	0	0	111.3	G82 F89 V90	G82-Q86 WeakPolarHBondContact O-CB 3.32Å; G82-Q86 WeakPolarHBondContact O-CG 3.48Å; G82-Q86 PolarHBondContact O-N 3.42Å; Q86-F89 PolarHBondContact O-N 3.38Å; Q86-V90 WeakPolarHBondContact O-CB 3.22Å; Q86-V90 VanDerWaalsContact O-CG2 3.23Å; Q86-V90 WeakPolarHBondContact O-CG2 3.43Å; Q86-V90 PolarHBondContact O-N 2.91Å
87	L	86.3	Confident	85.3	Confident	116 Å²	116	97.7 Å²	97.7	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-42.1	176.7	-165.6	90.9	0	0	0	111.2	K83 V84 E85 V90 K91	K83-L87 VanDerWaalsContact O-CB 3.24Å; K83-L87 WeakPolarHBondContact O-CB 3.35Å; K83-L87 PolarHBondContact O-N 3.08Å; V84-L87 CarbonylContact O-C 3.54Å; V84-L87 WeakPolarHBondContact O-CB 3.37Å; V84-L87 PolarHBondContact O-N 3.4Å; E85-L87 VanDerWaalsContact C-N 3.33Å; L87-V90 PolarHBondContact O-N 3.4Å; L87-K91 WeakPolarHBondContact O-CB 3.25Å; L87-K91 PolarHBondContact O-N 3.46Å
88	D	89.8	Confident	85.4	Confident	68 Å²	68	98.6 Å²	98.6	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-70.7	-36.2	177.5	-83.4	-22.1	0	0	0	111.6	V84 E85 K91 N92	V84-D88 WeakPolarHBondContact O-CB 3.44Å; V84-D88 PolarHBondContact O-N 3.15Å; E85-D88 PolarHBondContact O-N 3.31Å; D88-K91 PolarHBondContact O-N 3.41Å; D88-N92 VanDerWaalsContact O-CB 3.23Å; D88-N92 WeakPolarHBondContact O-CB 3.46Å; D88-N92 VanDerWaalsContact O-CG 3.23Å; D88-N92 PolarHBondContact O-N 3.14Å; D88-N92 PolarHBondContact O-ND2 2.92Å
89	F	85.4	Confident	85.4	Confident	152 Å²	152	97 Å²	97	67%	0.667	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-48.5	171.6	-178.7	-94.1	0	0	0	110.7	E85 Q86 N92 H93	E85-F89 VanDerWaalsContact O-CB 3.25Å; E85-F89 WeakPolarHBondContact O-CB 3.3Å; E85-F89 PolarHBondContact O-N 2.95Å; Q86-F89 PolarHBondContact O-N 3.38Å; F89-N92 PolarHBondContact O-N 3.44Å; F89-H93 VanDerWaalsContact O-CB 3.32Å; F89-H93 WeakPolarHBondContact O-CB 3.48Å; F89-H93 PolarHBondContact O-N 2.92Å
90	V	86.3	Confident	85.2	Confident	85 Å²	85	95.8 Å²	95.8	52%	0.515	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-43.8	175.5	172.7	0	0	0	0	110.3	Q86 L87 H93 V94	Q86-V90 WeakPolarHBondContact O-CB 3.22Å; Q86-V90 VanDerWaalsContact O-CG2 3.23Å; Q86-V90 WeakPolarHBondContact O-CG2 3.43Å; Q86-V90 PolarHBondContact O-N 2.91Å; L87-V90 PolarHBondContact O-N 3.4Å; V90-H93 PolarHBondContact O-N 3.29Å; V90-V94 HydrophobicContact CG1-CG2 4.25Å; V90-V94 WeakPolarHBondContact O-CB 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.46Å; V90-V94 PolarHBondContact O-N 3.39Å
91	K	86.3	Confident	85.2	Confident	119 Å²	119	94.8 Å²	94.8	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-45.9	177.6	-179	-176.4	172.7	-171.6	0	111.6	L87 D88 H93 V94 L95	L87-K91 WeakPolarHBondContact O-CB 3.25Å; L87-K91 PolarHBondContact O-N 3.46Å; D88-K91 PolarHBondContact O-N 3.41Å; K91-H93 VanDerWaalsContact C-N 3.34Å; K91-V94 CarbonylContact O-C 3.55Å; K91-V94 PolarHBondContact O-N 2.91Å; K91-L95 HydrophobicContact CG-CD1 4.1Å; K91-L95 HydrophobicContact CG-CG 4.42Å; K91-L95 WeakPolarHBondContact O-CB 3.37Å; K91-L95 VanDerWaalsContact O-CG 3.29Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 2.99Å
92	N	86.8	Confident	85.1	Confident	88 Å²	88	95.2 Å²	95.2	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-66.2	-37.8	177.2	-76.6	-28	0	0	0	111.6	D88 F89 L95 K96	D88-N92 VanDerWaalsContact O-CB 3.23Å; D88-N92 WeakPolarHBondContact O-CB 3.46Å; D88-N92 VanDerWaalsContact O-CG 3.23Å; D88-N92 PolarHBondContact O-N 3.14Å; D88-N92 PolarHBondContact O-ND2 2.92Å; F89-N92 PolarHBondContact O-N 3.44Å; N92-L95 PolarHBondContact O-N 2.91Å; N92-K96 WeakPolarHBondContact O-CB 3.3Å; N92-K96 VanDerWaalsContact O-CG 3.27Å; N92-K96 WeakPolarHBondContact O-CG 3.48Å; N92-K96 PolarHBondContact O-N 2.96Å
93	H	85.6	Confident	84.9	Confident	112 Å²	112	97.6 Å²	97.6	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173.5	-167.1	-82.3	0	0	0	111.1	F89 V90 K91 K96 C97	F89-H93 VanDerWaalsContact O-CB 3.32Å; F89-H93 WeakPolarHBondContact O-CB 3.48Å; F89-H93 PolarHBondContact O-N 2.92Å; V90-H93 PolarHBondContact O-N 3.29Å; K91-H93 VanDerWaalsContact C-N 3.34Å; H93-K96 PolarHBondContact O-N 3.26Å; H93-C97 WeakPolarHBondContact O-CB 3.48Å; H93-C97 PolarHBondContact O-N 3.42Å; H93-C97 PolarHBondContact O-SG 3.06Å
94	V	87.5	Confident	84.6	Confident	76 Å²	76	92.6 Å²	92.6	46%	0.461	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-45.1	174.6	170.4	0	0	0	0	110.9	V90 K91 C97 V98	V90-V94 HydrophobicContact CG1-CG2 4.25Å; V90-V94 WeakPolarHBondContact O-CB 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.46Å; V90-V94 PolarHBondContact O-N 3.39Å; K91-V94 CarbonylContact O-C 3.55Å; K91-V94 PolarHBondContact O-N 2.91Å; V94-C97 CarbonylContact O-C 3.57Å; V94-C97 WeakPolarHBondContact O-CA 3.35Å; V94-C97 WeakPolarHBondContact O-CB 3.41Å; V94-C97 PolarHBondContact O-N 3.01Å; V94-C97 VanDerWaalsContact O-N 3.14Å; V94-V98 HydrophobicContact CG1-CG2 4.2Å; V94-V98 WeakPolarHBondContact O-CB 3.32Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.29Å; V94-V98 PolarHBondContact O-N 3.17Å
95	L	88.3	Confident	84.3	Confident	78 Å²	78	93.2 Å²	93.2	41%	0.408	47%	0.474	S	S	.	.	H	α-helix	trans	-61.2	-46.9	176.8	-74.6	172.2	0	0	0	111.1	K91 N92 C97 V98 D99	K91-L95 HydrophobicContact CG-CD1 4.1Å; K91-L95 HydrophobicContact CG-CG 4.42Å; K91-L95 WeakPolarHBondContact O-CB 3.37Å; K91-L95 VanDerWaalsContact O-CG 3.29Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 2.99Å; N92-L95 PolarHBondContact O-N 2.91Å; L95-C97 VanDerWaalsContact C-N 3.28Å; L95-C97 PolarHBondContact O-N 3.27Å; L95-V98 CarbonylContact O-C 3.51Å; L95-V98 WeakPolarHBondContact O-CB 3.48Å; L95-V98 PolarHBondContact O-N 3.49Å; L95-V98 VanDerWaalsContact O-N 3.07Å; L95-D99 WeakPolarHBondContact O-CB 3.4Å; L95-D99 PolarHBondContact O-N 2.95Å
96	K	83.7	Confident	84.3	Confident	136 Å²	136	89.9 Å²	89.9	59%	0.591	46%	0.463	S	S	*	.	H	α-helix	trans	-59.4	-38.7	172.8	-74	177.8	-179.2	-175	0	112.4	N92 H93 K100	N92-K96 WeakPolarHBondContact O-CB 3.3Å; N92-K96 VanDerWaalsContact O-CG 3.27Å; N92-K96 WeakPolarHBondContact O-CG 3.48Å; N92-K96 PolarHBondContact O-N 2.96Å; H93-K96 PolarHBondContact O-N 3.26Å; K96-K100 WeakPolarHBondContact O-CB 3.3Å; K96-K100 WeakPolarHBondContact O-CG 3.49Å; K96-K100 PolarHBondContact O-N 3Å
97	C	81.9	Confident	84.1	Confident	60 Å²	60	83.5 Å²	83.5	41%	0.405	43%	0.433	S	S	.	.	H	α-helix	trans	-68	-38.2	174.3	-75.7	0	0	0	0	112	H93 V94 L95 L101	H93-C97 WeakPolarHBondContact O-CB 3.48Å; H93-C97 PolarHBondContact O-N 3.42Å; H93-C97 PolarHBondContact O-SG 3.06Å; V94-C97 CarbonylContact O-C 3.57Å; V94-C97 WeakPolarHBondContact O-CA 3.35Å; V94-C97 WeakPolarHBondContact O-CB 3.41Å; V94-C97 PolarHBondContact O-N 3.01Å; V94-C97 VanDerWaalsContact O-N 3.14Å; L95-C97 VanDerWaalsContact C-N 3.28Å; L95-C97 PolarHBondContact O-N 3.27Å; C97-L101 WeakPolarHBondContact O-CB 3.17Å; C97-L101 PolarHBondContact O-N 3.02Å
98	V	85.1	Confident	83.7	Confident	76 Å²	76	85.6 Å²	85.6	46%	0.461	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-42.4	175.7	168.2	0	0	0	0	110.3	V94 L95 L101 S102	V94-V98 HydrophobicContact CG1-CG2 4.2Å; V94-V98 WeakPolarHBondContact O-CB 3.32Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.29Å; V94-V98 PolarHBondContact O-N 3.17Å; L95-V98 CarbonylContact O-C 3.51Å; L95-V98 WeakPolarHBondContact O-CB 3.48Å; L95-V98 PolarHBondContact O-N 3.49Å; L95-V98 VanDerWaalsContact O-N 3.07Å; V98-L101 PolarHBondContact O-N 3.03Å; V98-S102 VanDerWaalsContact O-CB 3.27Å; V98-S102 WeakPolarHBondContact O-CB 3.49Å; V98-S102 PolarHBondContact O-N 3.36Å
99	D	82.1	Confident	83.4	Confident	87 Å²	87	86.7 Å²	86.7	47%	0.465	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-49.9	175.2	-65.7	-23.8	0	0	0	110.1	L95 L101 S102 H103	L95-D99 WeakPolarHBondContact O-CB 3.4Å; L95-D99 PolarHBondContact O-N 2.95Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 2.91Å; D99-S102 WeakPolarHBondContact O-CB 3.49Å; D99-S102 PolarHBondContact O-N 3.4Å; D99-S102 VanDerWaalsContact O-N 3.16Å; D99-H103 WeakPolarHBondContact O-CB 3.32Å; D99-H103 PolarHBondContact O-CD2 3.43Å; D99-H103 PolarHBondContact O-N 3.34Å
100	K	80.3	Confident	83.1	Confident	93 Å²	93	79.6 Å²	79.6	40%	0.404	41%	0.408	S	S	.	.	H	α-helix	trans	-57.9	-41.3	174	-74.7	176.6	-179	-169.7	0	112.2	K96 H103 I104 L143	K96-K100 WeakPolarHBondContact O-CB 3.3Å; K96-K100 WeakPolarHBondContact O-CG 3.49Å; K96-K100 PolarHBondContact O-N 3Å; K100-H103 WeakPolarHBondContact O-CB 3.49Å; K100-H103 PolarHBondContact O-N 3.28Å; K100-I104 WeakPolarHBondContact O-CD1 3.26Å; K100-I104 WeakPolarHBondContact O-CG1 3.43Å; K100-I104 PolarHBondContact O-N 3.39Å; K100-L143 HydrophobicContact CB-CD2 4.35Å; K100-L143 HydrophobicContact CD-CD2 4.21Å
101	L	81.5	Confident	82.9	Confident	96 Å²	96	75.9 Å²	75.9	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-42.5	176.7	-179.2	64.2	0	0	0	111.4	C97 V98 D99 H103 I104 I105	C97-L101 WeakPolarHBondContact O-CB 3.17Å; C97-L101 PolarHBondContact O-N 3.02Å; V98-L101 PolarHBondContact O-N 3.03Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 2.91Å; L101-H103 VanDerWaalsContact C-N 3.28Å; L101-H103 PolarHBondContact O-N 3.22Å; L101-I104 PolarHBondContact O-N 3.26Å; L101-I104 VanDerWaalsContact O-N 3.17Å; L101-I105 HydrophobicContact CD1-CD1 4.33Å; L101-I105 HydrophobicContact CD1-CG1 4.41Å; L101-I105 HydrophobicContact CG-CD1 3.93Å; L101-I105 HydrophobicContact CG-CG1 4.44Å; L101-I105 WeakPolarHBondContact O-CB 3.35Å; L101-I105 VanDerWaalsContact O-CG1 3.26Å; L101-I105 WeakPolarHBondContact O-CG1 3.03Å; L101-I105 PolarHBondContact O-N 3Å
102	S	83.1	Confident	82.6	Confident	64 Å²	64	75.1 Å²	75.1	45%	0.448	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-41.9	174.8	-175.9	0	0	0	0	110.9	V98 D99 I105 T106	V98-S102 VanDerWaalsContact O-CB 3.27Å; V98-S102 WeakPolarHBondContact O-CB 3.49Å; V98-S102 PolarHBondContact O-N 3.36Å; D99-S102 WeakPolarHBondContact O-CB 3.49Å; D99-S102 PolarHBondContact O-N 3.4Å; D99-S102 VanDerWaalsContact O-N 3.16Å; S102-I105 PolarHBondContact O-N 2.67Å; S102-T106 WeakPolarHBondContact O-CB 3.45Å; S102-T106 PolarHBondContact O-N 2.88Å; S102-T106 PolarHBondContact O-OG1 2.9Å
103	H	81	Confident	82.4	Confident	73 Å²	73	71.4 Å²	71.4	34%	0.338	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-45.4	172.4	-75.3	-54.4	0	0	0	112.7	D99 K100 L101 I105 T106 V107 M136 I140	D99-H103 WeakPolarHBondContact O-CB 3.32Å; D99-H103 PolarHBondContact O-CD2 3.43Å; D99-H103 PolarHBondContact O-N 3.34Å; K100-H103 WeakPolarHBondContact O-CB 3.49Å; K100-H103 PolarHBondContact O-N 3.28Å; L101-H103 VanDerWaalsContact C-N 3.28Å; L101-H103 PolarHBondContact O-N 3.22Å; H103-I105 VanDerWaalsContact C-N 3.33Å; H103-I105 PolarHBondContact O-N 2.78Å; H103-T106 WeakPolarHBondContact O-CB 3.44Å; H103-T106 PolarHBondContact O-N 3.42Å; H103-V107 WeakPolarHBondContact O-CG2 3.26Å; H103-V107 PolarHBondContact O-N 2.94Å; H103-M136 HydrophobicContact CB-CE 3.38Å; H103-M136 VanDerWaalsContact ND1-CE 3.34Å; H103-M136 WeakPolarHBondContact ND1-CE 3.5Å; H103-I140 HydrophobicContact CB-CD1 3.79Å; H103-I140 HydrophobicContact CB-CG2 4.01Å
104	I	79.1	Confident	82.2	Confident	33 Å²	33	66 Å²	66	17%	0.169	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-43	175.1	-66.8	160.8	0	0	0	110.9	K100 L101 T106 V107 R108 L143 I144 L147	K100-I104 WeakPolarHBondContact O-CD1 3.26Å; K100-I104 WeakPolarHBondContact O-CG1 3.43Å; K100-I104 PolarHBondContact O-N 3.39Å; L101-I104 PolarHBondContact O-N 3.26Å; L101-I104 VanDerWaalsContact O-N 3.17Å; I104-T106 VanDerWaalsContact C-N 3.34Å; I104-V107 PolarHBondContact O-N 2.93Å; I104-R108 WeakPolarHBondContact O-CB 3.43Å; I104-R108 PolarHBondContact O-N 3.03Å; I104-L143 HydrophobicContact CD1-CD2 3.9Å; I104-L143 HydrophobicContact CD1-CG 4.43Å; I104-I144 HydrophobicContact CB-CG1 4.41Å; I104-I144 HydrophobicContact CG1-CD1 4.2Å; I104-I144 HydrophobicContact CG1-CG1 3.7Å; I104-I144 HydrophobicContact CG2-CG1 4.37Å; I104-L147 HydrophobicContact CD1-CD1 3.64Å
105	I	81.2	Confident	81.8	Confident	82 Å²	82	67.4 Å²	67.4	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.1	-69.9	167	0	0	0	109.9	L101 S102 H103 V107 R108 N109	L101-I105 HydrophobicContact CD1-CD1 4.33Å; L101-I105 HydrophobicContact CD1-CG1 4.41Å; L101-I105 HydrophobicContact CG-CD1 3.93Å; L101-I105 HydrophobicContact CG-CG1 4.44Å; L101-I105 WeakPolarHBondContact O-CB 3.35Å; L101-I105 VanDerWaalsContact O-CG1 3.26Å; L101-I105 WeakPolarHBondContact O-CG1 3.03Å; L101-I105 PolarHBondContact O-N 3Å; S102-I105 PolarHBondContact O-N 2.67Å; H103-I105 VanDerWaalsContact C-N 3.33Å; H103-I105 PolarHBondContact O-N 2.78Å; I105-V107 PolarHBondContact O-N 3.03Å; I105-R108 PolarHBondContact O-N 3.11Å; I105-N109 WeakPolarHBondContact CG2-ND2 3.31Å; I105-N109 VanDerWaalsContact O-CB 3.25Å; I105-N109 WeakPolarHBondContact O-CB 3.39Å; I105-N109 PolarHBondContact O-N 2.81Å; I105-N109 PolarHBondContact O-ND2 2.76Å
106	T	83.2	Confident	81.5	Confident	58 Å²	58	72.1 Å²	72.1	36%	0.356	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-45.6	176.2	-58.2	0	0	0	0	111.1	S102 H103 I104 N109 S110	S102-T106 WeakPolarHBondContact O-CB 3.45Å; S102-T106 PolarHBondContact O-N 2.88Å; S102-T106 PolarHBondContact O-OG1 2.9Å; H103-T106 WeakPolarHBondContact O-CB 3.44Å; H103-T106 PolarHBondContact O-N 3.42Å; I104-T106 VanDerWaalsContact C-N 3.34Å; T106-N109 PolarHBondContact O-N 2.93Å; T106-S110 VanDerWaalsContact O-CB 3.31Å; T106-S110 WeakPolarHBondContact O-CB 3.23Å; T106-S110 PolarHBondContact O-N 3.34Å; T106-S110 PolarHBondContact O-OG 2.71Å
107	V	81	Confident	81.3	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-43.4	176.7	175.1	0	0	0	0	111	H103 I104 I105 N109 S110 A111 M136 I144 P156 L157 L160	H103-V107 WeakPolarHBondContact O-CG2 3.26Å; H103-V107 PolarHBondContact O-N 2.94Å; I104-V107 PolarHBondContact O-N 2.93Å; I105-V107 PolarHBondContact O-N 3.03Å; V107-N109 PolarHBondContact O-N 3.22Å; V107-S110 VanDerWaalsContact C-OG 3.31Å; V107-S110 VanDerWaalsContact CA-OG 3.32Å; V107-S110 WeakPolarHBondContact CA-OG 3.21Å; V107-S110 PolarHBondContact O-N 3.07Å; V107-S110 PolarHBondContact O-OG 2.86Å; V107-A111 PolarHBondContact O-N 3.42Å; V107-M136 HydrophobicContact CG2-CE 3.82Å; V107-M136 HydrophobicContact CG2-CG 4.08Å; V107-M136 HydrophobicContact CG2-SD 4.43Å; V107-I144 HydrophobicContact CB-CD1 3.79Å; V107-I144 HydrophobicContact CG1-CD1 3.82Å; V107-I144 HydrophobicContact CG2-CD1 3.81Å; V107-P156 HydrophobicContact CG1-CB 4.37Å; V107-L157 HydrophobicContact CG1-CD2 4.33Å; V107-L160 HydrophobicContact CG1-CD1 3.6Å
108	R	79.4	Confident	81	Confident	160 Å²	160	65.2 Å²	65.2	60%	0.604	32%	0.322	S	S	*	.	H	α-helix	trans	-64.7	-41.7	177.3	-167.6	175.2	-173.7	147.1	2.4	112.1	I104 I105 S110 A111 I112	I104-R108 WeakPolarHBondContact O-CB 3.43Å; I104-R108 PolarHBondContact O-N 3.03Å; I105-R108 PolarHBondContact O-N 3.11Å; R108-S110 VanDerWaalsContact C-N 3.32Å; R108-A111 PolarHBondContact O-N 3.44Å; R108-I112 HydrophobicContact CG-CD1 4.4Å; R108-I112 WeakPolarHBondContact O-CG1 3.33Å; R108-I112 PolarHBondContact O-N 3.42Å
109	N	82.5	Confident	80.6	Confident	91 Å²	91	68.1 Å²	68.1	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-36.9	174.7	-72.4	-14.3	0	0	0	111.3	I105 T106 V107 I112 G113	I105-N109 WeakPolarHBondContact CG2-ND2 3.31Å; I105-N109 VanDerWaalsContact O-CB 3.25Å; I105-N109 WeakPolarHBondContact O-CB 3.39Å; I105-N109 PolarHBondContact O-N 2.81Å; I105-N109 PolarHBondContact O-ND2 2.76Å; T106-N109 PolarHBondContact O-N 2.93Å; V107-N109 PolarHBondContact O-N 3.22Å; N109-I112 PolarHBondContact O-N 2.69Å; N109-G113 WeakPolarHBondContact O-CA 3.34Å; N109-G113 PolarHBondContact O-N 3.3Å
110	S	80.2	Confident	80.3	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-42	173.6	75.4	0	0	0	0	111	T106 V107 R108 I112 G113 V114	T106-S110 VanDerWaalsContact O-CB 3.31Å; T106-S110 WeakPolarHBondContact O-CB 3.23Å; T106-S110 PolarHBondContact O-N 3.34Å; T106-S110 PolarHBondContact O-OG 2.71Å; V107-S110 VanDerWaalsContact C-OG 3.31Å; V107-S110 VanDerWaalsContact CA-OG 3.32Å; V107-S110 WeakPolarHBondContact CA-OG 3.21Å; V107-S110 PolarHBondContact O-N 3.07Å; V107-S110 PolarHBondContact O-OG 2.86Å; R108-S110 VanDerWaalsContact C-N 3.32Å; S110-I112 PolarHBondContact O-N 2.8Å; S110-G113 PolarHBondContact O-N 2.95Å; S110-V114 VanDerWaalsContact O-CG2 3.27Å; S110-V114 WeakPolarHBondContact O-CG2 3.47Å; S110-V114 PolarHBondContact O-N 2.89Å
111	A	80.5	Confident	79.9	Confident	7 Å²	7	67.3 Å²	67.3	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-41.5	176.6	0	0	0	0	0	112.4	V107 R108 K115 P156 T159 L160	V107-A111 PolarHBondContact O-N 3.42Å; R108-A111 PolarHBondContact O-N 3.44Å; A111-K115 PolarHBondContact O-N 3Å; A111-P156 HydrophobicContact CB-CB 3.74Å; A111-T159 HydrophobicContact CB-CG2 4.06Å; A111-L160 HydrophobicContact CB-CD1 4.17Å; A111-L160 HydrophobicContact CB-CD2 4.3Å; A111-L160 HydrophobicContact CB-CG 3.91Å
112	I	81.7	Confident	79.7	Confident	104 Å²	104	67.1 Å²	67.1	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-43.4	174.8	-64.5	166.4	0	0	0	110.5	R108 N109 S110 K115 R116	R108-I112 HydrophobicContact CG-CD1 4.4Å; R108-I112 WeakPolarHBondContact O-CG1 3.33Å; R108-I112 PolarHBondContact O-N 3.42Å; N109-I112 PolarHBondContact O-N 2.69Å; S110-I112 PolarHBondContact O-N 2.8Å; I112-K115 PolarHBondContact O-N 3.17Å; I112-R116 PolarHBondContact O-N 3.42Å
113	G	81.7	Confident	79.4	Confident	9 Å²	9	64.6 Å²	64.6	9%	0.093	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-49.1	178.4	0	0	0	0	0	112.1	N109 S110 K115 R116 C117	N109-G113 WeakPolarHBondContact O-CA 3.34Å; N109-G113 PolarHBondContact O-N 3.3Å; S110-G113 PolarHBondContact O-N 2.95Å; G113-K115 PolarHBondContact O-N 3.46Å; G113-R116 PolarHBondContact O-N 3.21Å; G113-R116 VanDerWaalsContact O-N 3.16Å; G113-C117 WeakPolarHBondContact O-CB 3.38Å; G113-C117 PolarHBondContact O-N 3.43Å; G113-C117 PolarHBondContact O-SG 3.37Å
114	V	82.1	Confident	79.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-47.7	176.2	178	0	0	0	0	111	S110 R116 C117 L118 Y129 V130 L160 S163 L167	S110-V114 VanDerWaalsContact O-CG2 3.27Å; S110-V114 WeakPolarHBondContact O-CG2 3.47Å; S110-V114 PolarHBondContact O-N 2.89Å; V114-R116 VanDerWaalsContact C-N 3.25Å; V114-R116 PolarHBondContact O-N 2.91Å; V114-C117 PolarHBondContact O-N 3.34Å; V114-L118 VanDerWaalsContact O-CB 3.23Å; V114-L118 WeakPolarHBondContact O-CB 3.18Å; V114-L118 PolarHBondContact O-N 2.83Å; V114-Y129 HydrophobicContact CG2-CD2 4.39Å; V114-Y129 HydrophobicContact CG2-CG 4.22Å; V114-V130 HydrophobicContact CG2-CG2 3.98Å; V114-L160 HydrophobicContact CG2-CD2 3.87Å; V114-S163 VanDerWaalsContact CG1-CB 3.42Å; V114-S163 WeakPolarHBondContact CG1-OG 3.34Å; V114-L167 HydrophobicContact CG1-CD1 4.13Å
115	K	79.3	Confident	79.2	Confident	104 Å²	104	66.7 Å²	66.7	45%	0.452	33%	0.328	S	S	.	.	H	α-helix	trans	-56.8	-41.7	177.2	-79.7	-169.7	-179.9	172.4	0	111.7	A111 I112 G113 I119 T159	A111-K115 PolarHBondContact O-N 3Å; I112-K115 PolarHBondContact O-N 3.17Å; G113-K115 PolarHBondContact O-N 3.46Å; K115-I119 WeakPolarHBondContact O-CG1 3.35Å; K115-I119 PolarHBondContact O-N 3.26Å; K115-T159 HydrophobicContact CD-CG2 4.18Å; K115-T159 HydrophobicContact CG-CG2 4.13Å
116	R	81.1	Confident	79.2	Confident	177 Å²	177	62.8 Å²	62.8	67%	0.668	31%	0.307	S	S	*	.	H	α-helix	trans	-68.9	-48.2	178.5	-172	174.6	-178.3	159	1.5	112.2	I112 G113 V114 L118 I119 D120	I112-R116 PolarHBondContact O-N 3.42Å; G113-R116 PolarHBondContact O-N 3.21Å; G113-R116 VanDerWaalsContact O-N 3.16Å; V114-R116 VanDerWaalsContact C-N 3.25Å; V114-R116 PolarHBondContact O-N 2.91Å; R116-L118 PolarHBondContact O-N 3.14Å; R116-I119 WeakPolarHBondContact O-CB 3.41Å; R116-I119 PolarHBondContact O-N 2.97Å; R116-I119 VanDerWaalsContact O-N 3.12Å; R116-D120 PolarHBondContact O-N 3.3Å
117	C	78.7	Confident	79.1	Confident	6 Å²	6	60 Å²	60	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-29.1	178.6	-65	0	0	0	0	112.5	G113 V114 D120 S121 K122 E125 A126	G113-C117 WeakPolarHBondContact O-CB 3.38Å; G113-C117 PolarHBondContact O-N 3.43Å; G113-C117 PolarHBondContact O-SG 3.37Å; V114-C117 PolarHBondContact O-N 3.34Å; C117-D120 CarbonylContact O-C 3.22Å; C117-D120 PolarHBondContact O-N 3.46Å; C117-S121 PolarHBondContact O-N 2.94Å; C117-K122 PolarHBondContact O-N 2.92Å; C117-K122 VanDerWaalsContact O-N 3.07Å; C117-E125 HydrophobicContact CB-CB 4.41Å; C117-A126 HydrophobicContact CB-CB 3.79Å
118	L	77.5	Confident	79.2	Confident	46 Å²	46	61.2 Å²	61.2	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-38.2	173.5	-168	72.6	0	0	0	111.5	V114 R116 S121 I166 L167 M170	V114-L118 VanDerWaalsContact O-CB 3.23Å; V114-L118 WeakPolarHBondContact O-CB 3.18Å; V114-L118 PolarHBondContact O-N 2.83Å; R116-L118 PolarHBondContact O-N 3.14Å; L118-S121 PolarHBondContact O-N 3.2Å; L118-I166 HydrophobicContact CD1-CG2 4.06Å; L118-I166 HydrophobicContact CD2-CG2 4.25Å; L118-L167 HydrophobicContact CD1-CD2 3.83Å; L118-L167 HydrophobicContact CD1-CG 4.33Å; L118-M170 HydrophobicContact CD1-SD 3.76Å
119	I	76.3	Confident	79.1	Confident	137 Å²	137	58 Å²	58	70%	0.703	29%	0.292	S	S	*	.	H	α-helix	trans	-67.8	-43.5	173.1	-63.5	163.9	0	0	0	110.2	K115 R116 S121	K115-I119 WeakPolarHBondContact O-CG1 3.35Å; K115-I119 PolarHBondContact O-N 3.26Å; R116-I119 WeakPolarHBondContact O-CB 3.41Å; R116-I119 PolarHBondContact O-N 2.97Å; R116-I119 VanDerWaalsContact O-N 3.12Å; I119-S121 PolarHBondContact O-N 2.72Å
120	D	75.5	Confident	79	Confident	87 Å²	87	53.6 Å²	53.6	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.4	179.6	-65	-19.9	0	0	0	113.2	R116 C117 K122	R116-D120 PolarHBondContact O-N 3.3Å; C117-D120 CarbonylContact O-C 3.22Å; C117-D120 PolarHBondContact O-N 3.46Å; D120-K122 HydrophobicContact CB-CG 4.38Å; D120-K122 PolarHBondContact O-N 2.94Å; D120-K122 VanDerWaalsContact O-N 3.13Å
121	S	71.2	Confident	78.9	Confident	76 Å²	76	55.7 Å²	55.7	53%	0.531	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	20.2	-178.4	-64.4	0	0	0	0	115.7	C117 L118 I119 L123	C117-S121 PolarHBondContact O-N 2.94Å; L118-S121 PolarHBondContact O-N 3.2Å; I119-S121 PolarHBondContact O-N 2.72Å; S121-L123 PolarHBondContact O-N 3.22Å
122	K	77.5	Confident	78.8	Confident	91 Å²	91	58 Å²	58	40%	0.396	29%	0.291	S	S	.	.			trans	-87.6	99.4	177.3	-67.7	-175.5	176.8	-176.1	0	111.1	C117 D120 E125 A126	C117-K122 PolarHBondContact O-N 2.92Å; C117-K122 VanDerWaalsContact O-N 3.07Å; D120-K122 HydrophobicContact CB-CG 4.38Å; D120-K122 PolarHBondContact O-N 2.94Å; D120-K122 VanDerWaalsContact O-N 3.13Å; K122-E125 HydrophobicContact CB-CB 4.48Å; K122-E125 VanDerWaalsContact CD-CD 3.49Å; K122-E125 HydrophobicContact CD-CG 4.42Å; K122-E125 WeakPolarHBondContact CD-OE1 3.28Å; K122-E125 VanDerWaalsContact CD-OE2 3.27Å; K122-E125 WeakPolarHBondContact CD-OE2 3.37Å; K122-E125 IonicContact NZ-OE1 3.6Å; K122-E125 PolarHBondContact NZ-OE1 2.92Å; K122-E125 IonicContact NZ-OE2 2.73Å; K122-E125 PolarHBondContact NZ-OE2 2.62Å; K122-A126 WeakPolarHBondContact O-CB 3.37Å; K122-A126 PolarHBondContact O-N 3.46Å
123	L	76.9	Confident	78.5	Confident	11 Å²	11	53.9 Å²	53.9	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-73.9	-31.5	-172.9	-67.4	177.6	0	0	0	114.2	S121 A127 L167 M170 K174 I193	S121-L123 PolarHBondContact O-N 3.22Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.87Å; L123-L167 HydrophobicContact CD2-CD2 3.73Å; L123-M170 HydrophobicContact CD2-CE 4.38Å; L123-K174 HydrophobicContact CD1-CD 3.52Å; L123-K174 VanDerWaalsContact CD1-NZ 3.29Å; L123-I193 HydrophobicContact CB-CD1 4.47Å
124	D	77.8	Confident	78.2	Confident	68 Å²	68	56.5 Å²	56.5	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-50.9	179.4	52.1	-20.6	0	0	0	112.5	A126 A127 G128 Y189 I193	D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 3.34Å; D124-A127 PolarHBondContact O-N 3.34Å; D124-G128 PolarHBondContact O-N 2.83Å; D124-Y189 HydrophobicContact CB-CE2 4.21Å; D124-Y189 VanDerWaalsContact CB-OH 3.28Å; D124-Y189 WeakPolarHBondContact CB-OH 3.49Å; D124-Y189 PolarHBondContact N-OH 3.38Å; D124-I193 HydrophobicContact CB-CD1 4.14Å
125	E	78.9	Confident	77.9	Confident	82 Å²	82	63 Å²	63	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.7	-68	176.9	-167.6	0	0	110	C117 K122 G128 Y129	C117-E125 HydrophobicContact CB-CB 4.41Å; K122-E125 HydrophobicContact CB-CB 4.48Å; K122-E125 VanDerWaalsContact CD-CD 3.49Å; K122-E125 HydrophobicContact CD-CG 4.42Å; K122-E125 WeakPolarHBondContact CD-OE1 3.28Å; K122-E125 VanDerWaalsContact CD-OE2 3.27Å; K122-E125 WeakPolarHBondContact CD-OE2 3.37Å; K122-E125 IonicContact NZ-OE1 3.6Å; K122-E125 PolarHBondContact NZ-OE1 2.92Å; K122-E125 IonicContact NZ-OE2 2.73Å; K122-E125 PolarHBondContact NZ-OE2 2.62Å; E125-G128 PolarHBondContact O-N 3.36Å; E125-Y129 WeakPolarHBondContact O-CD2 3.31Å; E125-Y129 PolarHBondContact O-N 3.44Å; E125-Y129 VanDerWaalsContact O-N 3.13Å
126	A	81	Confident	77.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-46.8	177	0	0	0	0	0	112.5	C117 K122 D124 G128 Y129 V130 L167	C117-A126 HydrophobicContact CB-CB 3.79Å; K122-A126 WeakPolarHBondContact O-CB 3.37Å; K122-A126 PolarHBondContact O-N 3.46Å; D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 3.34Å; A126-G128 VanDerWaalsContact C-N 3.31Å; A126-G128 PolarHBondContact O-N 2.69Å; A126-Y129 PolarHBondContact O-N 3.48Å; A126-V130 PolarHBondContact O-N 2.96Å; A126-V130 VanDerWaalsContact O-N 3.15Å; A126-L167 HydrophobicContact CB-CD1 3.91Å; A126-L167 HydrophobicContact CB-CD2 3.92Å
127	A	81.2	Confident	77.1	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-34.3	177.7	0	0	0	0	0	111.8	L123 D124 Y129 V130 F131 I193 L196 L197	L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.87Å; D124-A127 PolarHBondContact O-N 3.34Å; A127-Y129 PolarHBondContact O-N 3.04Å; A127-V130 PolarHBondContact O-N 2.98Å; A127-F131 WeakPolarHBondContact O-CB 3.32Å; A127-F131 PolarHBondContact O-N 2.96Å; A127-I193 HydrophobicContact CB-CD1 4.13Å; A127-I193 HydrophobicContact CB-CG2 4.06Å; A127-L196 HydrophobicContact CB-CB 3.74Å; A127-L196 HydrophobicContact CB-CD1 4.09Å; A127-L197 HydrophobicContact CB-CD2 4.17Å; A127-L197 HydrophobicContact CB-CG 4.22Å
128	G	82.5	Confident	76.7	Confident	26 Å²	26	67.5 Å²	67.5	27%	0.268	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-41.9	173.2	0	0	0	0	0	112.9	D124 E125 A126 F131 T132	D124-G128 PolarHBondContact O-N 2.83Å; E125-G128 PolarHBondContact O-N 3.36Å; A126-G128 VanDerWaalsContact C-N 3.31Å; A126-G128 PolarHBondContact O-N 2.69Å; G128-F131 WeakPolarHBondContact O-CB 3.43Å; G128-F131 PolarHBondContact O-N 3.4Å; G128-T132 PolarHBondContact O-N 3.27Å
129	Y	78.5	Confident	76.4	Confident	92 Å²	92	70.6 Å²	70.6	36%	0.361	35%	0.348	S	S	.	.	H	α-helix	trans	-68.8	-31.6	174.6	-71.6	-59.5	0	0	0	113.4	V114 E125 A126 A127 T132 Y133	V114-Y129 HydrophobicContact CG2-CD2 4.39Å; V114-Y129 HydrophobicContact CG2-CG 4.22Å; E125-Y129 WeakPolarHBondContact O-CD2 3.31Å; E125-Y129 PolarHBondContact O-N 3.44Å; E125-Y129 VanDerWaalsContact O-N 3.13Å; A126-Y129 PolarHBondContact O-N 3.48Å; A127-Y129 PolarHBondContact O-N 3.04Å; Y129-T132 PolarHBondContact O-OG1 2.92Å; Y129-Y133 PolarHBondContact O-N 3.21Å
130	V	79.2	Confident	76.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-37.6	172	175.2	0	0	0	0	110.8	V114 A126 A127 Y133 L134 R164 L167 L197	V114-V130 HydrophobicContact CG2-CG2 3.98Å; A126-V130 PolarHBondContact O-N 2.96Å; A126-V130 VanDerWaalsContact O-N 3.15Å; A127-V130 PolarHBondContact O-N 2.98Å; V130-Y133 WeakPolarHBondContact O-CA 3.39Å; V130-Y133 VanDerWaalsContact O-CB 3.32Å; V130-Y133 WeakPolarHBondContact O-CB 3.32Å; V130-Y133 PolarHBondContact O-N 2.85Å; V130-Y133 VanDerWaalsContact O-N 3.13Å; V130-L134 HydrophobicContact CG1-CD1 4.19Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CG 3.35Å; V130-L134 PolarHBondContact O-N 3.07Å; V130-R164 HydrophobicContact CG1-CB 4.01Å; V130-R164 HydrophobicContact CG1-CG 3.93Å; V130-L167 HydrophobicContact CG2-CD1 3.85Å; V130-L197 HydrophobicContact CB-CD2 4.12Å; V130-L197 HydrophobicContact CG1-CD2 4.03Å; V130-L197 HydrophobicContact CG2-CD2 4.29Å
131	F	78.2	Confident	75.8	Confident	45 Å²	45	62.6 Å²	62.6	20%	0.197	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-46	177.1	-176.3	-101.5	0	0	0	111.7	A127 G128 Y133 L134 E135 F195 L196	A127-F131 WeakPolarHBondContact O-CB 3.32Å; A127-F131 PolarHBondContact O-N 2.96Å; G128-F131 WeakPolarHBondContact O-CB 3.43Å; G128-F131 PolarHBondContact O-N 3.4Å; F131-Y133 PolarHBondContact O-N 3.35Å; F131-L134 PolarHBondContact O-N 2.98Å; F131-E135 HydrophobicContact CD1-CG 4.44Å; F131-E135 HydrophobicContact CE1-CG 3.91Å; F131-E135 VanDerWaalsContact CE1-OE1 3.31Å; F131-E135 WeakPolarHBondContact CE1-OE1 3.49Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.22Å; F131-E135 HydrophobicContact CE2-CG 4.36Å; F131-E135 HydrophobicContact CZ-CG 3.87Å; F131-E135 WeakPolarHBondContact CZ-OE1 3.49Å; F131-E135 PolarHBondContact O-N 3.11Å; F131-E135 VanDerWaalsContact O-N 3.1Å; F131-F195 AromaticContact CE2-CE1 3.92Å; F131-F195 HydrophobicContact CE2-CE1 3.92Å; F131-F195 HydrophobicContact CE2-CZ 4.35Å; F131-F195 HydrophobicContact CZ-CE1 4.32Å; F131-L196 WeakPolarHBondContact CA-O 3.31Å; F131-L196 HydrophobicContact CB-CB 4.23Å; F131-L196 HydrophobicContact CB-CD2 3.84Å; F131-L196 VanDerWaalsContact CB-O 3.3Å; F131-L196 WeakPolarHBondContact CB-O 3.29Å; F131-L196 HydrophobicContact CD1-CD2 4.21Å; F131-L196 HydrophobicContact CD2-CD2 3.96Å; F131-L196 HydrophobicContact CG-CD2 3.72Å; F131-L196 PolarHBondContact N-O 3.32Å
132	T	77.4	Confident	75.8	Confident	56 Å²	56	61.8 Å²	61.8	34%	0.344	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-29.8	176	57.3	0	0	0	0	112.2	G128 Y129 M136	G128-T132 PolarHBondContact O-N 3.27Å; Y129-T132 PolarHBondContact O-OG1 2.92Å; T132-M136 WeakPolarHBondContact O-CG 3.31Å
133	Y	75.9	Confident	75.3	Confident	18 Å²	18	59.8 Å²	59.8	7%	0.071	29%	0.294	C	S	.	.	H	α-helix	trans	-70.1	-40.8	172.1	163.4	-117.2	0	0	0	112.8	Y129 V130 F131 M136 L157 L160 D161	Y129-Y133 PolarHBondContact O-N 3.21Å; V130-Y133 WeakPolarHBondContact O-CA 3.39Å; V130-Y133 VanDerWaalsContact O-CB 3.32Å; V130-Y133 WeakPolarHBondContact O-CB 3.32Å; V130-Y133 PolarHBondContact O-N 2.85Å; V130-Y133 VanDerWaalsContact O-N 3.13Å; F131-Y133 PolarHBondContact O-N 3.35Å; Y133-M136 WeakPolarHBondContact O-CB 3.42Å; Y133-M136 VanDerWaalsContact O-CG 3.31Å; Y133-M136 WeakPolarHBondContact O-CG 3.25Å; Y133-M136 PolarHBondContact O-N 2.98Å; Y133-L157 HydrophobicContact CD2-CD2 4.24Å; Y133-L157 HydrophobicContact CE2-CD2 3.4Å; Y133-L157 VanDerWaalsContact CE2-CD2 3.4Å; Y133-L160 HydrophobicContact CD1-CB 3.98Å; Y133-L160 HydrophobicContact CD1-CD1 4.41Å; Y133-L160 HydrophobicContact CD2-CD1 3.88Å; Y133-L160 HydrophobicContact CE1-CB 4.08Å; Y133-L160 HydrophobicContact CE2-CD1 4.48Å; Y133-L160 HydrophobicContact CG-CB 4.26Å; Y133-L160 HydrophobicContact CG-CD1 3.84Å; Y133-D161 WeakPolarHBondContact CE1-OD1 3.44Å; Y133-D161 PolarHBondContact OH-OD1 3.42Å
134	L	75	Confident	74.9	Confident	63 Å²	63	59.5 Å²	59.5	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-70.3	-30	-178.7	-69.9	172.8	0	0	0	113.8	V130 F131 M136 L197	V130-L134 HydrophobicContact CG1-CD1 4.19Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CG 3.35Å; V130-L134 PolarHBondContact O-N 3.07Å; F131-L134 PolarHBondContact O-N 2.98Å; L134-M136 PolarHBondContact O-N 3Å; L134-L197 VanDerWaalsContact CD1-C 3.48Å; L134-L197 WeakPolarHBondContact CD1-O 3.46Å
135	E	76	Confident	74.6	Confident	138 Å²	138	59.3 Å²	59.3	65%	0.645	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.6	175.1	-70.8	-166.7	144.7	0	0	113.6	F131	F131-E135 HydrophobicContact CD1-CG 4.44Å; F131-E135 HydrophobicContact CE1-CG 3.91Å; F131-E135 VanDerWaalsContact CE1-OE1 3.31Å; F131-E135 WeakPolarHBondContact CE1-OE1 3.49Å; F131-E135 WeakPolarHBondContact CE1-OE2 3.22Å; F131-E135 HydrophobicContact CE2-CG 4.36Å; F131-E135 HydrophobicContact CZ-CG 3.87Å; F131-E135 WeakPolarHBondContact CZ-OE1 3.49Å; F131-E135 PolarHBondContact O-N 3.11Å; F131-E135 VanDerWaalsContact O-N 3.1Å
136	M	73.5	Confident	74	Confident	26 Å²	26	64.1 Å²	64.1	13%	0.128	31%	0.31	C	S	.	.	S	Bend	trans	-69.1	141.1	-177.2	-59.6	-64	-71.2	0	0	112.6	H103 V107 T132 Y133 L134 I140	H103-M136 HydrophobicContact CB-CE 3.38Å; H103-M136 VanDerWaalsContact ND1-CE 3.34Å; H103-M136 WeakPolarHBondContact ND1-CE 3.5Å; V107-M136 HydrophobicContact CG2-CE 3.82Å; V107-M136 HydrophobicContact CG2-CG 4.08Å; V107-M136 HydrophobicContact CG2-SD 4.43Å; T132-M136 WeakPolarHBondContact O-CG 3.31Å; Y133-M136 WeakPolarHBondContact O-CB 3.42Å; Y133-M136 VanDerWaalsContact O-CG 3.31Å; Y133-M136 WeakPolarHBondContact O-CG 3.25Å; Y133-M136 PolarHBondContact O-N 2.98Å; L134-M136 PolarHBondContact O-N 3Å; M136-I140 HydrophobicContact CE-CD1 4.02Å; M136-I140 HydrophobicContact CE-CG2 4.03Å
137	E	71	Confident	73.4	Confident	136 Å²	136	69.2 Å²	69.2	64%	0.636	34%	0.337	S	S	*	.			trans	-62.4	141.6	176.6	-66.1	-178.1	167.7	0	0	112.7	D139 I140 I141	E137-D139 PolarHBondContact O-N 3.27Å; E137-D139 VanDerWaalsContact O-N 3.14Å; E137-I140 HydrophobicContact CB-CD1 4.17Å; E137-I140 HydrophobicContact CB-CG1 4.44Å; E137-I140 WeakPolarHBondContact O-CB 3.29Å; E137-I140 PolarHBondContact O-N 3.45Å; E137-I141 PolarHBondContact O-N 3.02Å
138	R	70.5	Confident	72.5	Confident	219 Å²	219	70.2 Å²	70.2	83%	0.826	34%	0.344	S	S	*	.	H	α-helix	trans	-56.4	-33.6	-177.5	-65.6	-174.6	-169.5	173.5	4.1	113.5	I140 I141 S142	R138-I140 VanDerWaalsContact C-N 3.27Å; R138-I140 PolarHBondContact O-N 2.88Å; R138-I141 PolarHBondContact O-N 3.38Å; R138-S142 PolarHBondContact O-N 2.92Å
139	D	69.6	Low	71.4	Confident	110 Å²	110	72.4 Å²	72.4	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-36.9	179.4	-72.5	0.9	0	0	0	111.6	E137 S142 L143	E137-D139 PolarHBondContact O-N 3.27Å; E137-D139 VanDerWaalsContact O-N 3.14Å; D139-S142 PolarHBondContact O-N 3.27Å; D139-S142 PolarHBondContact O-OG 3.27Å; D139-L143 PolarHBondContact O-N 2.93Å; D139-L143 VanDerWaalsContact O-N 3.07Å
140	I	70.6	Confident	70.3	Confident	5 Å²	5	75 Å²	75	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-72.8	-41.5	179.4	-58.8	169.4	0	0	0	110.2	H103 M136 E137 R138 S142 L143 I144	H103-I140 HydrophobicContact CB-CD1 3.79Å; H103-I140 HydrophobicContact CB-CG2 4.01Å; M136-I140 HydrophobicContact CE-CD1 4.02Å; M136-I140 HydrophobicContact CE-CG2 4.03Å; E137-I140 HydrophobicContact CB-CD1 4.17Å; E137-I140 HydrophobicContact CB-CG1 4.44Å; E137-I140 WeakPolarHBondContact O-CB 3.29Å; E137-I140 PolarHBondContact O-N 3.45Å; R138-I140 VanDerWaalsContact C-N 3.27Å; R138-I140 PolarHBondContact O-N 2.88Å; I140-S142 VanDerWaalsContact C-N 3.29Å; I140-S142 PolarHBondContact O-N 2.79Å; I140-L143 WeakPolarHBondContact O-CB 3.46Å; I140-L143 PolarHBondContact O-N 2.92Å; I140-L143 VanDerWaalsContact O-N 3.11Å; I140-I144 HydrophobicContact CG2-CD1 3.85Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 WeakPolarHBondContact O-CG1 3.46Å; I140-I144 PolarHBondContact O-N 3.24Å
141	I	68.6	Low	69.3	Low	52 Å²	52	80.2 Å²	80.2	27%	0.267	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-44.7	175.2	-59.7	173.6	0	0	0	109.9	E137 R138 L143 I144 S145 L157	E137-I141 PolarHBondContact O-N 3.02Å; R138-I141 PolarHBondContact O-N 3.38Å; I141-L143 VanDerWaalsContact C-N 3.31Å; I141-L143 PolarHBondContact O-N 3.43Å; I141-I144 PolarHBondContact O-N 3.48Å; I141-S145 WeakPolarHBondContact O-CB 3.48Å; I141-S145 PolarHBondContact O-N 2.96Å; I141-L157 HydrophobicContact CG2-CD1 4.09Å; I141-L157 HydrophobicContact CG2-CD2 4.3Å
142	S	71.1	Confident	68.4	Low	58 Å²	58	82.5 Å²	82.5	41%	0.406	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-36.2	176.8	83.8	0	0	0	0	112.7	R138 D139 I140 R146	R138-S142 PolarHBondContact O-N 2.92Å; D139-S142 PolarHBondContact O-N 3.27Å; D139-S142 PolarHBondContact O-OG 3.27Å; I140-S142 VanDerWaalsContact C-N 3.29Å; I140-S142 PolarHBondContact O-N 2.79Å; S142-R146 PolarHBondContact O-N 3.49Å; S142-R146 VanDerWaalsContact O-N 3.13Å
143	L	68.1	Low	67.5	Low	50 Å²	50	87 Å²	87	26%	0.262	45%	0.449	S	S	.	.	H	α-helix	trans	-70.6	-44.6	178.5	-174	66.9	0	0	0	111.5	K100 I104 D139 I140 I141 S145 R146 L147	K100-L143 HydrophobicContact CB-CD2 4.35Å; K100-L143 HydrophobicContact CD-CD2 4.21Å; I104-L143 HydrophobicContact CD1-CD2 3.9Å; I104-L143 HydrophobicContact CD1-CG 4.43Å; D139-L143 PolarHBondContact O-N 2.93Å; D139-L143 VanDerWaalsContact O-N 3.07Å; I140-L143 WeakPolarHBondContact O-CB 3.46Å; I140-L143 PolarHBondContact O-N 2.92Å; I140-L143 VanDerWaalsContact O-N 3.11Å; I141-L143 VanDerWaalsContact C-N 3.31Å; I141-L143 PolarHBondContact O-N 3.43Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-R146 PolarHBondContact O-N 2.77Å; L143-L147 HydrophobicContact CG-CD1 4.1Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 3.08Å
144	I	69.2	Low	66.9	Low	4 Å²	4	91.8 Å²	91.8	2%	0.021	48%	0.476	C	S	.	.	H	α-helix	trans	-63.4	-42.5	177.2	-66.7	167.4	0	0	0	110.6	I104 V107 I140 I141 R146 L147 S148 P156 L157	I104-I144 HydrophobicContact CB-CG1 4.41Å; I104-I144 HydrophobicContact CG1-CD1 4.2Å; I104-I144 HydrophobicContact CG1-CG1 3.7Å; I104-I144 HydrophobicContact CG2-CG1 4.37Å; V107-I144 HydrophobicContact CB-CD1 3.79Å; V107-I144 HydrophobicContact CG1-CD1 3.82Å; V107-I144 HydrophobicContact CG2-CD1 3.81Å; I140-I144 HydrophobicContact CG2-CD1 3.85Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 WeakPolarHBondContact O-CG1 3.46Å; I140-I144 PolarHBondContact O-N 3.24Å; I141-I144 PolarHBondContact O-N 3.48Å; I144-R146 PolarHBondContact O-N 3.39Å; I144-L147 PolarHBondContact O-N 3.36Å; I144-S148 WeakPolarHBondContact O-CB 3.43Å; I144-S148 PolarHBondContact O-N 3.32Å; I144-S148 PolarHBondContact O-OG 3.01Å; I144-P156 HydrophobicContact CG2-CG 3.72Å; I144-L157 HydrophobicContact CB-CD1 3.98Å; I144-L157 HydrophobicContact CB-CD2 4.44Å; I144-L157 HydrophobicContact CB-CG 4.24Å; I144-L157 HydrophobicContact CG2-CD1 3.77Å; I144-L157 HydrophobicContact CG2-CD2 4.1Å; I144-L157 HydrophobicContact CG2-CG 3.62Å
145	S	69.7	Low	66.7	Low	64 Å²	64	89.7 Å²	89.7	45%	0.448	47%	0.465	S	S	.	.	H	α-helix	trans	-59.2	-37.7	175.2	179.6	0	0	0	0	111.7	I141 L143 A149	I141-S145 WeakPolarHBondContact O-CB 3.48Å; I141-S145 PolarHBondContact O-N 2.96Å; L143-S145 VanDerWaalsContact C-N 3.34Å; S145-A149 PolarHBondContact O-N 3.27Å
146	R	67.6	Low	66.6	Low	183 Å²	183	83.9 Å²	83.9	69%	0.691	44%	0.439	S	S	*	.	H	α-helix	trans	-73.4	-41.3	177.5	-167.2	178	-59.1	155.3	6.6	112.5	S142 L143 I144 S148 A149	S142-R146 PolarHBondContact O-N 3.49Å; S142-R146 VanDerWaalsContact O-N 3.13Å; L143-R146 PolarHBondContact O-N 2.77Å; I144-R146 PolarHBondContact O-N 3.39Å; R146-S148 VanDerWaalsContact C-N 3.28Å; R146-S148 PolarHBondContact O-N 2.98Å; R146-A149 WeakPolarHBondContact O-CB 3.34Å; R146-A149 PolarHBondContact O-N 3.15Å
147	L	67.2	Low	66.7	Low	107 Å²	107	83.1 Å²	83.1	56%	0.56	44%	0.436	S	S	*	.	H	α-helix	trans	-67.7	-28.1	178.2	-71.9	170.9	0	0	0	112.8	I104 L143 I144	I104-L147 HydrophobicContact CD1-CD1 3.64Å; L143-L147 HydrophobicContact CG-CD1 4.1Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 3.08Å; I144-L147 PolarHBondContact O-N 3.36Å
148	S	63.8	Low	67	Low	22 Å²	22	79.4 Å²	79.4	15%	0.154	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	3.8	-178.5	-50.9	0	0	0	0	113.5	I144 R146 D150 N151	I144-S148 WeakPolarHBondContact O-CB 3.43Å; I144-S148 PolarHBondContact O-N 3.32Å; I144-S148 PolarHBondContact O-OG 3.01Å; R146-S148 VanDerWaalsContact C-N 3.28Å; R146-S148 PolarHBondContact O-N 2.98Å; S148-D150 PolarHBondContact O-N 3.23Å; S148-N151 CarbonylContact O-C 3.56Å; S148-N151 PolarHBondContact O-N 3.41Å; S148-N151 VanDerWaalsContact O-N 3.13Å
149	A	58.9	Low	67.4	Low	72 Å²	72	69.8 Å²	69.8	60%	0.595	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.7	-179.7	0	0	0	0	0	112.9	S145 R146 N151	S145-A149 PolarHBondContact O-N 3.27Å; R146-A149 WeakPolarHBondContact O-CB 3.34Å; R146-A149 PolarHBondContact O-N 3.15Å; A149-N151 VanDerWaalsContact C-N 3.34Å; A149-N151 PolarHBondContact O-N 3.05Å
150	D	55.7	Low	67.9	Low	146 Å²	146	64.5 Å²	64.5	78%	0.781	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.3	-178.5	-64.6	-21.8	0	0	0	113.7	S148	S148-D150 PolarHBondContact O-N 3.23Å
151	N	58.8	Low	68.3	Low	110 Å²	110	67.2 Å²	67.2	59%	0.588	37%	0.374	S	S	*	.			trans	-141.7	82.4	-179.2	-78.8	-51.7	0	0	0	111.4	S148 A149 D153 N154 N155	S148-N151 CarbonylContact O-C 3.56Å; S148-N151 PolarHBondContact O-N 3.41Å; S148-N151 VanDerWaalsContact O-N 3.13Å; A149-N151 VanDerWaalsContact C-N 3.34Å; A149-N151 PolarHBondContact O-N 3.05Å; N151-D153 VanDerWaalsContact C-N 3.3Å; N151-D153 PolarHBondContact O-N 3.46Å; N151-N154 HydrophobicContact CB-CB 4.4Å; N151-N154 PolarHBondContact O-N 2.76Å; N151-N155 PolarHBondContact O-N 3.2Å
152	P	57.8	Low	68.9	Low	94 Å²	94	69 Å²	69	61%	0.61	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-59.7	-36.8	-177.2	21.4	-31.7	0	0	0	113.4	N154 N155	P152-N154 PolarHBondContact O-N 2.87Å; P152-N155 PolarHBondContact O-N 3.48Å
153	D	58.9	Low	69.4	Low	151 Å²	151	66.6 Å²	66.6	81%	0.807	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-68.9	-19.7	-178.6	-67.6	-19.1	0	0	0	113.8	N151	N151-D153 VanDerWaalsContact C-N 3.3Å; N151-D153 PolarHBondContact O-N 3.46Å
154	N	63.7	Low	70.1	Confident	117 Å²	117	66.7 Å²	66.7	63%	0.626	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-116.1	16.7	-176.5	-94.8	-24.5	0	0	0	113.1	N151 P152 P156	N151-N154 HydrophobicContact CB-CB 4.4Å; N151-N154 PolarHBondContact O-N 2.76Å; P152-N154 PolarHBondContact O-N 2.87Å; N154-P156 WeakPolarHBondContact O-CD 3.49Å
155	N	71.4	Confident	70.8	Confident	19 Å²	19	72 Å²	72	10%	0.102	39%	0.389	C	S	.	.			trans	-67.5	119.3	175.1	-175	-5.9	0	0	0	109.5	N151 P152 L157 T158 T159	N151-N155 PolarHBondContact O-N 3.2Å; P152-N155 PolarHBondContact O-N 3.48Å; N155-L157 PolarHBondContact O-N 3.02Å; N155-L157 WeakPolarHBondContact OD1-CB 3.5Å; N155-L157 PolarHBondContact OD1-N 2.74Å; N155-T158 HydrophobicContact CB-CG2 4.35Å; N155-T158 PolarHBondContact O-OG1 3.17Å; N155-T159 PolarHBondContact O-N 3.45Å; N155-T159 PolarHBondContact O-OG1 3.41Å; N155-T159 VanDerWaalsContact O-OG1 3.1Å
156	P	74	Confident	71.5	Confident	16 Å²	16	72.5 Å²	72.5	10%	0.104	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-26.2	179.9	26.7	-35.1	0	0	0	112.2	V107 A111 I144 N154 T159 L160	V107-P156 HydrophobicContact CG1-CB 4.37Å; A111-P156 HydrophobicContact CB-CB 3.74Å; I144-P156 HydrophobicContact CG2-CG 3.72Å; N154-P156 WeakPolarHBondContact O-CD 3.49Å; P156-T159 WeakPolarHBondContact O-CB 3.43Å; P156-L160 WeakPolarHBondContact O-CB 3.39Å; P156-L160 WeakPolarHBondContact O-CD1 3.29Å; P156-L160 WeakPolarHBondContact O-CG 3.31Å; P156-L160 PolarHBondContact O-N 2.87Å
157	L	75.6	Confident	72.2	Confident	11 Å²	11	64 Å²	64	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-69.8	-49.6	179.6	-61.7	174.6	0	0	0	111.9	V107 Y133 I141 I144 N155 T159 L160 D161	V107-L157 HydrophobicContact CG1-CD2 4.33Å; Y133-L157 HydrophobicContact CD2-CD2 4.24Å; Y133-L157 HydrophobicContact CE2-CD2 3.4Å; Y133-L157 VanDerWaalsContact CE2-CD2 3.4Å; I141-L157 HydrophobicContact CG2-CD1 4.09Å; I141-L157 HydrophobicContact CG2-CD2 4.3Å; I144-L157 HydrophobicContact CB-CD1 3.98Å; I144-L157 HydrophobicContact CB-CD2 4.44Å; I144-L157 HydrophobicContact CB-CG 4.24Å; I144-L157 HydrophobicContact CG2-CD1 3.77Å; I144-L157 HydrophobicContact CG2-CD2 4.1Å; I144-L157 HydrophobicContact CG2-CG 3.62Å; N155-L157 PolarHBondContact O-N 3.02Å; N155-L157 WeakPolarHBondContact OD1-CB 3.5Å; N155-L157 PolarHBondContact OD1-N 2.74Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 3.42Å; L157-L160 PolarHBondContact O-N 3.38Å; L157-L160 VanDerWaalsContact O-N 3.1Å; L157-D161 PolarHBondContact O-N 3.28Å
158	T	77.2	Confident	73.1	Confident	58 Å²	58	60.4 Å²	60.4	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-40.5	177	53.8	0	0	0	0	110.3	N155 L160 D161 D162	N155-T158 HydrophobicContact CB-CG2 4.35Å; N155-T158 PolarHBondContact O-OG1 3.17Å; T158-L160 VanDerWaalsContact C-N 3.34Å; T158-L160 PolarHBondContact O-N 2.97Å; T158-D161 PolarHBondContact O-N 2.9Å; T158-D162 VanDerWaalsContact O-CB 3.27Å; T158-D162 WeakPolarHBondContact O-CB 3.48Å; T158-D162 PolarHBondContact O-N 3.11Å
159	T	78.4	Confident	74.1	Confident	16 Å²	16	65.6 Å²	65.6	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-57.2	-44.7	172.4	-67.5	0	0	0	0	112.5	A111 K115 N155 P156 L157 S163	A111-T159 HydrophobicContact CB-CG2 4.06Å; K115-T159 HydrophobicContact CD-CG2 4.18Å; K115-T159 HydrophobicContact CG-CG2 4.13Å; N155-T159 PolarHBondContact O-N 3.45Å; N155-T159 PolarHBondContact O-OG1 3.41Å; N155-T159 VanDerWaalsContact O-OG1 3.1Å; P156-T159 WeakPolarHBondContact O-CB 3.43Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 3.42Å; T159-S163 VanDerWaalsContact O-CB 3.23Å; T159-S163 WeakPolarHBondContact O-CB 3.38Å; T159-S163 PolarHBondContact O-N 2.93Å; T159-S163 PolarHBondContact O-OG 3.38Å
160	L	79.4	Confident	75.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.2	-39	179.8	-77.4	164.2	0	0	0	111.8	V107 A111 V114 Y133 P156 L157 T158 S163 R164	V107-L160 HydrophobicContact CG1-CD1 3.6Å; A111-L160 HydrophobicContact CB-CD1 4.17Å; A111-L160 HydrophobicContact CB-CD2 4.3Å; A111-L160 HydrophobicContact CB-CG 3.91Å; V114-L160 HydrophobicContact CG2-CD2 3.87Å; Y133-L160 HydrophobicContact CD1-CB 3.98Å; Y133-L160 HydrophobicContact CD1-CD1 4.41Å; Y133-L160 HydrophobicContact CD2-CD1 3.88Å; Y133-L160 HydrophobicContact CE1-CB 4.08Å; Y133-L160 HydrophobicContact CE2-CD1 4.48Å; Y133-L160 HydrophobicContact CG-CB 4.26Å; Y133-L160 HydrophobicContact CG-CD1 3.84Å; P156-L160 WeakPolarHBondContact O-CB 3.39Å; P156-L160 WeakPolarHBondContact O-CD1 3.29Å; P156-L160 WeakPolarHBondContact O-CG 3.31Å; P156-L160 PolarHBondContact O-N 2.87Å; L157-L160 PolarHBondContact O-N 3.38Å; L157-L160 VanDerWaalsContact O-N 3.1Å; T158-L160 VanDerWaalsContact C-N 3.34Å; T158-L160 PolarHBondContact O-N 2.97Å; L160-S163 VanDerWaalsContact CA-OG 3.32Å; L160-S163 WeakPolarHBondContact CA-OG 3.45Å; L160-S163 PolarHBondContact O-OG 3.45Å; L160-R164 WeakPolarHBondContact O-CB 2.97Å; L160-R164 PolarHBondContact O-N 3.47Å
161	D	79.9	Confident	76.7	Confident	61 Å²	61	57.5 Å²	57.5	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-68.1	-43.8	175.5	-75.1	-24.3	0	0	0	111.8	Y133 L157 T158 R164 Q165	Y133-D161 WeakPolarHBondContact CE1-OD1 3.44Å; Y133-D161 PolarHBondContact OH-OD1 3.42Å; L157-D161 PolarHBondContact O-N 3.28Å; T158-D161 PolarHBondContact O-N 2.9Å; D161-R164 WeakPolarHBondContact O-CB 3.26Å; D161-R164 PolarHBondContact O-N 3.11Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.26Å
162	D	82	Confident	78	Confident	91 Å²	91	53.6 Å²	53.6	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-46.2	176.2	-71	-19.1	0	0	0	110.6	T158 R164 Q165 I166	T158-D162 VanDerWaalsContact O-CB 3.27Å; T158-D162 WeakPolarHBondContact O-CB 3.48Å; T158-D162 PolarHBondContact O-N 3.11Å; D162-R164 PolarHBondContact O-N 3.3Å; D162-Q165 PolarHBondContact O-N 3.32Å; D162-I166 VanDerWaalsContact O-CG1 3.27Å; D162-I166 WeakPolarHBondContact O-CG1 3.47Å; D162-I166 PolarHBondContact O-N 2.84Å
163	S	80.8	Confident	79.4	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-35.3	176.8	59.7	0	0	0	0	112.5	V114 T159 L160 I166 L167	V114-S163 VanDerWaalsContact CG1-CB 3.42Å; V114-S163 WeakPolarHBondContact CG1-OG 3.34Å; T159-S163 VanDerWaalsContact O-CB 3.23Å; T159-S163 WeakPolarHBondContact O-CB 3.38Å; T159-S163 PolarHBondContact O-N 2.93Å; T159-S163 PolarHBondContact O-OG 3.38Å; L160-S163 VanDerWaalsContact CA-OG 3.32Å; L160-S163 WeakPolarHBondContact CA-OG 3.45Å; L160-S163 PolarHBondContact O-OG 3.45Å; S163-I166 PolarHBondContact O-N 3.48Å; S163-L167 WeakPolarHBondContact O-CB 3.48Å; S163-L167 WeakPolarHBondContact O-CG 3.35Å; S163-L167 PolarHBondContact O-N 3.5Å
164	R	82.7	Confident	80.6	Confident	52 Å²	52	50.4 Å²	50.4	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-46.9	170.1	179	179.7	-178.7	-143.7	-8.6	111	V130 L160 D161 D162 I166 L167 V168 L197 E199	V130-R164 HydrophobicContact CG1-CB 4.01Å; V130-R164 HydrophobicContact CG1-CG 3.93Å; L160-R164 WeakPolarHBondContact O-CB 2.97Å; L160-R164 PolarHBondContact O-N 3.47Å; D161-R164 WeakPolarHBondContact O-CB 3.26Å; D161-R164 PolarHBondContact O-N 3.11Å; D162-R164 PolarHBondContact O-N 3.3Å; R164-I166 VanDerWaalsContact C-N 3.33Å; R164-I166 PolarHBondContact O-N 3.41Å; R164-L167 PolarHBondContact O-N 2.96Å; R164-V168 HydrophobicContact CG-CG2 4.43Å; R164-V168 WeakPolarHBondContact O-CB 3.34Å; R164-V168 VanDerWaalsContact O-CG2 3.27Å; R164-V168 WeakPolarHBondContact O-CG2 3.31Å; R164-V168 PolarHBondContact O-N 3.06Å; R164-L197 VanDerWaalsContact CZ-O 3.27Å; R164-L197 PolarHBondContact NE-O 3.27Å; R164-L197 PolarHBondContact NH2-O 3.21Å; R164-E199 IonicContact CZ-OE1 3.97Å; R164-E199 IonicContact NH2-OE1 2.63Å; R164-E199 PolarHBondContact NH2-OE1 3.2Å
165	Q	84.3	Confident	81.6	Confident	115 Å²	115	45.2 Å²	45.2	54%	0.537	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-40.5	177.4	-70.8	-179.9	23.9	0	0	112.1	D161 D162 K169	D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.26Å; D162-Q165 PolarHBondContact O-N 3.32Å; Q165-K169 WeakPolarHBondContact O-CG 3.44Å; Q165-K169 PolarHBondContact O-N 3.02Å
166	I	84	Confident	82.3	Confident	76 Å²	76	47.8 Å²	47.8	39%	0.39	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-46.5	175	-65.5	163.4	0	0	0	110.3	L118 D162 S163 R164 V168 K169 M170	L118-I166 HydrophobicContact CD1-CG2 4.06Å; L118-I166 HydrophobicContact CD2-CG2 4.25Å; D162-I166 VanDerWaalsContact O-CG1 3.27Å; D162-I166 WeakPolarHBondContact O-CG1 3.47Å; D162-I166 PolarHBondContact O-N 2.84Å; S163-I166 PolarHBondContact O-N 3.48Å; R164-I166 VanDerWaalsContact C-N 3.33Å; R164-I166 PolarHBondContact O-N 3.41Å; I166-V168 PolarHBondContact O-N 3.06Å; I166-K169 PolarHBondContact O-N 2.9Å; I166-M170 HydrophobicContact CG2-CG 4.31Å; I166-M170 HydrophobicContact CG2-SD 3.99Å; I166-M170 WeakPolarHBondContact O-CG 3.47Å; I166-M170 PolarHBondContact O-N 2.67Å
167	L	82.7	Confident	82.9	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-38.6	178.8	-73.3	170.3	0	0	0	112.3	V114 L118 L123 A126 V130 S163 R164 M170 A171 L197	V114-L167 HydrophobicContact CG1-CD1 4.13Å; L118-L167 HydrophobicContact CD1-CD2 3.83Å; L118-L167 HydrophobicContact CD1-CG 4.33Å; L123-L167 HydrophobicContact CD2-CD2 3.73Å; A126-L167 HydrophobicContact CB-CD1 3.91Å; A126-L167 HydrophobicContact CB-CD2 3.92Å; V130-L167 HydrophobicContact CG2-CD1 3.85Å; S163-L167 WeakPolarHBondContact O-CB 3.48Å; S163-L167 WeakPolarHBondContact O-CG 3.35Å; S163-L167 PolarHBondContact O-N 3.5Å; R164-L167 PolarHBondContact O-N 2.96Å; L167-M170 PolarHBondContact O-N 3.1Å; L167-A171 WeakPolarHBondContact O-CB 3.39Å; L167-A171 PolarHBondContact O-N 3.32Å; L167-L197 HydrophobicContact CB-CD1 4.15Å; L167-L197 HydrophobicContact CB-CD2 3.81Å; L167-L197 HydrophobicContact CD1-CD2 3.96Å
168	V	85.3	Confident	83.4	Confident	31 Å²	31	52.9 Å²	52.9	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-45.1	174.2	170.5	0	0	0	0	110.4	R164 I166 A171 V172 L197 E199	R164-V168 HydrophobicContact CG-CG2 4.43Å; R164-V168 WeakPolarHBondContact O-CB 3.34Å; R164-V168 VanDerWaalsContact O-CG2 3.27Å; R164-V168 WeakPolarHBondContact O-CG2 3.31Å; R164-V168 PolarHBondContact O-N 3.06Å; I166-V168 PolarHBondContact O-N 3.06Å; V168-A171 PolarHBondContact O-N 2.69Å; V168-V172 WeakPolarHBondContact O-CB 3.45Å; V168-V172 VanDerWaalsContact O-CG2 3.27Å; V168-V172 WeakPolarHBondContact O-CG2 3.28Å; V168-V172 PolarHBondContact O-N 3.4Å; V168-L197 HydrophobicContact CG2-CB 4.31Å; V168-L197 HydrophobicContact CG2-CD1 4.03Å; V168-E199 HydrophobicContact CG2-CG 3.99Å
169	K	85.9	Confident	83.7	Confident	132 Å²	132	52.2 Å²	52.2	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-61.6	-46.4	175.5	-72	176.1	-175.8	177.2	0	111.8	Q165 I166 A171 V172 E173	Q165-K169 WeakPolarHBondContact O-CG 3.44Å; Q165-K169 PolarHBondContact O-N 3.02Å; I166-K169 PolarHBondContact O-N 2.9Å; K169-A171 PolarHBondContact O-N 3.26Å; K169-V172 WeakPolarHBondContact O-CB 3.37Å; K169-V172 PolarHBondContact O-N 3.17Å; K169-E173 WeakPolarHBondContact O-CG 3.47Å; K169-E173 PolarHBondContact O-N 3.39Å
170	M	83.7	Confident	83.9	Confident	47 Å²	47	56.3 Å²	56.3	23%	0.232	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-39.2	176.9	-71.2	-179	75.4	0	0	112.5	L118 L123 I166 L167 V172 K174	L118-M170 HydrophobicContact CD1-SD 3.76Å; L123-M170 HydrophobicContact CD2-CE 4.38Å; I166-M170 HydrophobicContact CG2-CG 4.31Å; I166-M170 HydrophobicContact CG2-SD 3.99Å; I166-M170 WeakPolarHBondContact O-CG 3.47Å; I166-M170 PolarHBondContact O-N 2.67Å; L167-M170 PolarHBondContact O-N 3.1Å; M170-V172 VanDerWaalsContact C-N 3.35Å; M170-K174 WeakPolarHBondContact O-CB 3.5Å; M170-K174 WeakPolarHBondContact O-CG 3.48Å; M170-K174 PolarHBondContact O-N 2.91Å
171	A	85.1	Confident	84	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-39.8	176.6	0	0	0	0	0	111	L167 V168 K169 F175 I193 F194 L197	L167-A171 WeakPolarHBondContact O-CB 3.39Å; L167-A171 PolarHBondContact O-N 3.32Å; V168-A171 PolarHBondContact O-N 2.69Å; K169-A171 PolarHBondContact O-N 3.26Å; A171-F175 WeakPolarHBondContact O-CB 3.32Å; A171-F175 PolarHBondContact O-N 3Å; A171-I193 HydrophobicContact CB-CG2 4.38Å; A171-F194 HydrophobicContact CB-CE1 4.11Å; A171-F194 HydrophobicContact CB-CE2 4.46Å; A171-F194 HydrophobicContact CB-CZ 3.96Å; A171-L197 HydrophobicContact CB-CD1 4.4Å
172	V	85.7	Confident	84	Confident	29 Å²	29	68.2 Å²	68.2	18%	0.176	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-51.1	173.6	158.3	0	0	0	0	111.6	V168 K169 M170 K174 F175 D176 F194 R206	V168-V172 WeakPolarHBondContact O-CB 3.45Å; V168-V172 VanDerWaalsContact O-CG2 3.27Å; V168-V172 WeakPolarHBondContact O-CG2 3.28Å; V168-V172 PolarHBondContact O-N 3.4Å; K169-V172 WeakPolarHBondContact O-CB 3.37Å; K169-V172 PolarHBondContact O-N 3.17Å; M170-V172 VanDerWaalsContact C-N 3.35Å; V172-K174 PolarHBondContact O-N 2.64Å; V172-F175 WeakPolarHBondContact O-CB 3.17Å; V172-F175 PolarHBondContact O-N 2.97Å; V172-F175 VanDerWaalsContact O-N 3.16Å; V172-D176 PolarHBondContact O-N 3.43Å; V172-F194 HydrophobicContact CG2-CE1 4.16Å; V172-F194 HydrophobicContact CG2-CZ 4.04Å; V172-R206 VanDerWaalsContact CG1-CZ 3.49Å
173	E	86.4	Confident	83.9	Confident	131 Å²	131	66.6 Å²	66.6	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-61.8	-45.1	-179.8	-72.7	170.6	-175.8	0	0	111.6	K169 F175 D176 E177	K169-E173 WeakPolarHBondContact O-CG 3.47Å; K169-E173 PolarHBondContact O-N 3.39Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 3.43Å; E173-D176 PolarHBondContact O-N 3.2Å; E173-E177 PolarHBondContact O-N 2.94Å
174	K	84.7	Confident	83.9	Confident	47 Å²	47	71.7 Å²	71.7	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-33.2	175.4	-76.4	176.6	176.2	-174.1	0	112.5	L123 M170 V172 E177 Y178 L190	L123-K174 HydrophobicContact CD1-CD 3.52Å; L123-K174 VanDerWaalsContact CD1-NZ 3.29Å; M170-K174 WeakPolarHBondContact O-CB 3.5Å; M170-K174 WeakPolarHBondContact O-CG 3.48Å; M170-K174 PolarHBondContact O-N 2.91Å; V172-K174 PolarHBondContact O-N 2.64Å; K174-E177 PolarHBondContact O-N 3.26Å; K174-Y178 HydrophobicContact CB-CD2 4.44Å; K174-Y178 HydrophobicContact CB-CE2 4.05Å; K174-Y178 WeakPolarHBondContact O-CB 3.46Å; K174-Y178 WeakPolarHBondContact O-CD2 3.47Å; K174-Y178 PolarHBondContact O-N 3.4Å; K174-L190 HydrophobicContact CB-CD1 4.2Å
175	F	85.1	Confident	84	Confident	7 Å²	7	77.7 Å²	77.7	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-48.3	174.6	-170.4	-87.2	0	0	0	110.3	A171 V172 E173 E177 Y178 V179 I187 L190 F194 R206	A171-F175 WeakPolarHBondContact O-CB 3.32Å; A171-F175 PolarHBondContact O-N 3Å; V172-F175 WeakPolarHBondContact O-CB 3.17Å; V172-F175 PolarHBondContact O-N 2.97Å; V172-F175 VanDerWaalsContact O-N 3.16Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 3.43Å; F175-E177 VanDerWaalsContact C-N 3.29Å; F175-E177 PolarHBondContact O-N 3.27Å; F175-Y178 PolarHBondContact O-N 3.01Å; F175-V179 HydrophobicContact CD1-CG2 3.67Å; F175-V179 HydrophobicContact CE1-CG2 3.34Å; F175-V179 HydrophobicContact CG-CG2 4.49Å; F175-V179 HydrophobicContact CZ-CG2 3.93Å; F175-V179 WeakPolarHBondContact O-CB 3.33Å; F175-V179 VanDerWaalsContact O-CG2 3.24Å; F175-V179 WeakPolarHBondContact O-CG2 3.3Å; F175-V179 PolarHBondContact O-N 3.02Å; F175-I187 HydrophobicContact CE2-CG2 3.8Å; F175-I187 HydrophobicContact CZ-CG2 4.13Å; F175-L190 HydrophobicContact CB-CD1 3.71Å; F175-L190 HydrophobicContact CD2-CB 4.14Å; F175-L190 HydrophobicContact CD2-CD1 3.95Å; F175-L190 HydrophobicContact CG-CD1 4.3Å; F175-F194 HydrophobicContact CB-CE2 4.47Å; F175-F194 HydrophobicContact CD2-CE2 4.13Å; F175-R206 HydrophobicContact CD1-CB 4.05Å; F175-R206 HydrophobicContact CE1-CB 3.63Å; F175-R206 HydrophobicContact CE1-CG 4.5Å; F175-R206 HydrophobicContact CE2-CB 4.35Å; F175-R206 HydrophobicContact CZ-CB 3.81Å
176	D	85.7	Confident	83.9	Confident	74 Å²	74	74.7 Å²	74.7	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-34	-179.8	-64.5	-25.8	0	0	0	111.5	V172 E173 S180 R206	V172-D176 PolarHBondContact O-N 3.43Å; E173-D176 PolarHBondContact O-N 3.2Å; D176-S180 WeakPolarHBondContact O-CB 3.12Å; D176-S180 PolarHBondContact O-N 2.97Å; D176-S180 VanDerWaalsContact O-N 3.11Å; D176-S180 PolarHBondContact O-OG 2.79Å; D176-R206 IonicContact OD1-NH1 3.6Å; D176-R206 PolarHBondContact OD1-NH1 3.47Å; D176-R206 IonicContact OD2-CZ 2.83Å; D176-R206 IonicContact OD2-NH1 3.39Å; D176-R206 PolarHBondContact OD2-NH1 2.91Å
177	E	85.8	Confident	83.9	Confident	89 Å²	89	71.1 Å²	71.1	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-47.4	171.2	-167.4	-171.1	162.7	0	0	112.5	E173 K174 F175 S180 K181	E173-E177 PolarHBondContact O-N 2.94Å; K174-E177 PolarHBondContact O-N 3.26Å; F175-E177 VanDerWaalsContact C-N 3.29Å; F175-E177 PolarHBondContact O-N 3.27Å; E177-S180 WeakPolarHBondContact O-CB 3.3Å; E177-S180 PolarHBondContact O-N 3.37Å; E177-K181 HydrophobicContact CG-CD 4.45Å; E177-K181 PolarHBondContact O-N 2.97Å; E177-K181 WeakPolarHBondContact OE1-CE 3.27Å; E177-K181 IonicContact OE1-NZ 3.7Å; E177-K181 PolarHBondContact OE1-NZ 3.45Å
178	Y	85.7	Confident	84	Confident	44 Å²	44	71.8 Å²	71.8	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-71.9	-33.2	-179.5	-63.9	-37.6	0	0	0	113.1	K174 F175 S180 K181 R182 D183 N186 L190	K174-Y178 HydrophobicContact CB-CD2 4.44Å; K174-Y178 HydrophobicContact CB-CE2 4.05Å; K174-Y178 WeakPolarHBondContact O-CB 3.46Å; K174-Y178 WeakPolarHBondContact O-CD2 3.47Å; K174-Y178 PolarHBondContact O-N 3.4Å; F175-Y178 PolarHBondContact O-N 3.01Å; Y178-S180 VanDerWaalsContact C-N 3.27Å; Y178-S180 PolarHBondContact O-N 3.31Å; Y178-K181 CarbonylContact O-C 3.55Å; Y178-K181 PolarHBondContact O-N 2.98Å; Y178-R182 PolarHBondContact O-N 3.39Å; Y178-D183 PolarHBondContact O-N 3.49Å; Y178-N186 HydrophobicContact CD1-CB 4.07Å; Y178-N186 HydrophobicContact CD2-CB 3.62Å; Y178-N186 HydrophobicContact CE1-CB 4.18Å; Y178-N186 HydrophobicContact CE2-CB 3.74Å; Y178-N186 HydrophobicContact CG-CB 3.81Å; Y178-L190 HydrophobicContact CD2-CD1 3.46Å; Y178-L190 VanDerWaalsContact CD2-CD1 3.46Å; Y178-L190 HydrophobicContact CD2-CG 4.16Å; Y178-L190 HydrophobicContact CE2-CD1 3.85Å; Y178-L190 HydrophobicContact CE2-CG 4.21Å
179	V	85.1	Confident	83.9	Confident	45 Å²	45	73.9 Å²	73.9	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-41.6	169.6	167.4	0	0	0	0	110.2	F175 K181 R182 I187 Y210	F175-V179 HydrophobicContact CD1-CG2 3.67Å; F175-V179 HydrophobicContact CE1-CG2 3.34Å; F175-V179 HydrophobicContact CG-CG2 4.49Å; F175-V179 HydrophobicContact CZ-CG2 3.93Å; F175-V179 WeakPolarHBondContact O-CB 3.33Å; F175-V179 VanDerWaalsContact O-CG2 3.24Å; F175-V179 WeakPolarHBondContact O-CG2 3.3Å; F175-V179 PolarHBondContact O-N 3.02Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.3Å; V179-R182 PolarHBondContact O-N 3.41Å; V179-I187 HydrophobicContact CG2-CD1 4.17Å; V179-I187 HydrophobicContact CG2-CG1 4.48Å; V179-Y210 HydrophobicContact CB-CD2 4.48Å; V179-Y210 HydrophobicContact CG1-CD2 4.16Å; V179-Y210 HydrophobicContact CG2-CD2 3.92Å; V179-Y210 HydrophobicContact CG2-CG 4.33Å
180	S	81.2	Confident	83.7	Confident	102 Å²	102	67.6 Å²	67.6	71%	0.713	32%	0.322	S	S	*	.	H	α-helix	trans	-65.8	-35.2	176.4	-57.6	0	0	0	0	112.4	D176 E177 Y178	D176-S180 WeakPolarHBondContact O-CB 3.12Å; D176-S180 PolarHBondContact O-N 2.97Å; D176-S180 VanDerWaalsContact O-N 3.11Å; D176-S180 PolarHBondContact O-OG 2.79Å; E177-S180 WeakPolarHBondContact O-CB 3.3Å; E177-S180 PolarHBondContact O-N 3.37Å; Y178-S180 VanDerWaalsContact C-N 3.27Å; Y178-S180 PolarHBondContact O-N 3.31Å
181	K	83	Confident	83.7	Confident	135 Å²	135	65.4 Å²	65.4	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-83	-9.2	177	-69.7	174.8	176.2	172.9	0	114.7	E177 Y178 V179 D183	E177-K181 HydrophobicContact CG-CD 4.45Å; E177-K181 PolarHBondContact O-N 2.97Å; E177-K181 WeakPolarHBondContact OE1-CE 3.27Å; E177-K181 IonicContact OE1-NZ 3.7Å; E177-K181 PolarHBondContact OE1-NZ 3.45Å; Y178-K181 CarbonylContact O-C 3.55Å; Y178-K181 PolarHBondContact O-N 2.98Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.3Å; K181-D183 VanDerWaalsContact C-N 3.32Å; K181-D183 PolarHBondContact O-N 3.22Å
182	R	78.5	Confident	83.6	Confident	176 Å²	176	69.6 Å²	69.6	66%	0.664	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	38.8	-173.2	-59.4	-174	176.2	-170.8	-1.7	114.2	Y178 V179 E184	Y178-R182 PolarHBondContact O-N 3.39Å; V179-R182 PolarHBondContact O-N 3.41Å; R182-E184 PolarHBondContact O-N 3.03Å
183	D	81.6	Confident	83.5	Confident	56 Å²	56	68.4 Å²	68.4	30%	0.299	32%	0.322	S	S	.	.			trans	-89.5	92.4	178.4	-169.1	-21	0	0	0	111.7	Y178 K181 K185 N186 I187	Y178-D183 PolarHBondContact O-N 3.49Å; K181-D183 VanDerWaalsContact C-N 3.32Å; K181-D183 PolarHBondContact O-N 3.22Å; D183-K185 VanDerWaalsContact C-N 3.27Å; D183-K185 PolarHBondContact O-N 3.45Å; D183-K185 PolarHBondContact OD1-N 3.49Å; D183-N186 HydrophobicContact CB-CB 4.26Å; D183-N186 PolarHBondContact O-N 2.99Å; D183-N186 PolarHBondContact OD1-N 2.9Å; D183-N186 PolarHBondContact OD2-ND2 3.27Å; D183-I187 WeakPolarHBondContact O-CD1 3.41Å; D183-I187 VanDerWaalsContact O-CG1 3.23Å; D183-I187 WeakPolarHBondContact O-CG1 3.45Å; D183-I187 PolarHBondContact O-N 3.03Å
184	E	80.3	Confident	83.5	Confident	113 Å²	113	62.1 Å²	62.1	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-56.4	-38.4	-178.4	-67.2	-179.4	173.8	0	0	113.1	R182 I187 V188	R182-E184 PolarHBondContact O-N 3.03Å; E184-I187 PolarHBondContact O-N 3.44Å; E184-V188 WeakPolarHBondContact O-CG2 3.47Å; E184-V188 PolarHBondContact O-N 2.84Å
185	K	83.6	Confident	83.4	Confident	179 Å²	179	63 Å²	63	78%	0.778	30%	0.297	S	S	*	.	H	α-helix	trans	-67.2	-44.2	-176.4	-69.3	-179.8	178.9	177.5	0	111	D183 Y189	D183-K185 VanDerWaalsContact C-N 3.27Å; D183-K185 PolarHBondContact O-N 3.45Å; D183-K185 PolarHBondContact OD1-N 3.49Å; K185-Y189 WeakPolarHBondContact O-CB 3.32Å; K185-Y189 PolarHBondContact O-N 3.43Å
186	N	83.2	Confident	83.2	Confident	52 Å²	52	63.9 Å²	63.9	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-73.9	-30.3	-179.9	-78.9	-36.3	0	0	0	112.6	Y178 D183 Y189 L190	Y178-N186 HydrophobicContact CD1-CB 4.07Å; Y178-N186 HydrophobicContact CD2-CB 3.62Å; Y178-N186 HydrophobicContact CE1-CB 4.18Å; Y178-N186 HydrophobicContact CE2-CB 3.74Å; Y178-N186 HydrophobicContact CG-CB 3.81Å; D183-N186 HydrophobicContact CB-CB 4.26Å; D183-N186 PolarHBondContact O-N 2.99Å; D183-N186 PolarHBondContact OD1-N 2.9Å; D183-N186 PolarHBondContact OD2-ND2 3.27Å; N186-Y189 PolarHBondContact O-N 3.23Å; N186-L190 WeakPolarHBondContact O-CG 3.18Å; N186-L190 PolarHBondContact O-N 2.83Å
187	I	83.5	Confident	83.1	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-46.7	172.4	-69.1	166.9	0	0	0	110.9	F175 V179 D183 E184 Y189 L190 L191 F207 Y210	F175-I187 HydrophobicContact CE2-CG2 3.8Å; F175-I187 HydrophobicContact CZ-CG2 4.13Å; V179-I187 HydrophobicContact CG2-CD1 4.17Å; V179-I187 HydrophobicContact CG2-CG1 4.48Å; D183-I187 WeakPolarHBondContact O-CD1 3.41Å; D183-I187 VanDerWaalsContact O-CG1 3.23Å; D183-I187 WeakPolarHBondContact O-CG1 3.45Å; D183-I187 PolarHBondContact O-N 3.03Å; E184-I187 PolarHBondContact O-N 3.44Å; I187-Y189 VanDerWaalsContact C-N 3.34Å; I187-Y189 PolarHBondContact O-N 3.35Å; I187-L190 PolarHBondContact O-N 2.71Å; I187-L191 PolarHBondContact O-N 3.37Å; I187-L191 VanDerWaalsContact O-N 3.15Å; I187-F207 HydrophobicContact CG2-CD2 3.78Å; I187-F207 HydrophobicContact CG2-CE2 4Å; I187-Y210 HydrophobicContact CD1-CD1 4.29Å; I187-Y210 HydrophobicContact CD1-CD2 3.87Å; I187-Y210 HydrophobicContact CD1-CE1 4Å; I187-Y210 HydrophobicContact CD1-CE2 3.52Å; I187-Y210 HydrophobicContact CD1-CG 4.23Å; I187-Y210 HydrophobicContact CG2-CD1 4.06Å; I187-Y210 HydrophobicContact CG2-CE1 4.31Å; I187-Y210 HydrophobicContact CG2-CG 4.49Å
188	V	83.9	Confident	82.8	Confident	17 Å²	17	58 Å²	58	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-39.1	176.1	174.1	0	0	0	0	111.1	E184 L190 L191 K192 F207 Y258 Y262	E184-V188 WeakPolarHBondContact O-CG2 3.47Å; E184-V188 PolarHBondContact O-N 2.84Å; V188-L190 VanDerWaalsContact C-N 3.33Å; V188-L190 PolarHBondContact O-N 2.92Å; V188-L191 WeakPolarHBondContact O-CB 3.35Å; V188-L191 PolarHBondContact O-N 3.02Å; V188-L191 VanDerWaalsContact O-N 3.16Å; V188-K192 PolarHBondContact O-N 3.48Å; V188-F207 HydrophobicContact CG2-CE2 4.44Å; V188-Y258 HydrophobicContact CG1-CD1 3.79Å; V188-Y258 HydrophobicContact CG1-CD2 4.29Å; V188-Y258 HydrophobicContact CG1-CE1 4.31Å; V188-Y258 HydrophobicContact CG1-CG 3.8Å; V188-Y258 HydrophobicContact CG2-CD2 3.82Å; V188-Y258 HydrophobicContact CG2-CE2 4.07Å; V188-Y258 HydrophobicContact CG2-CG 4.18Å; V188-Y262 HydrophobicContact CG1-CD2 4.24Å; V188-Y262 HydrophobicContact CG1-CE2 3.6Å
189	Y	83.6	Confident	82.6	Confident	75 Å²	75	59.3 Å²	59.3	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-43.4	173.1	170.3	-98.5	0	0	0	112	D124 K185 N186 I187 L191 K192 I193	D124-Y189 HydrophobicContact CB-CE2 4.21Å; D124-Y189 VanDerWaalsContact CB-OH 3.28Å; D124-Y189 WeakPolarHBondContact CB-OH 3.49Å; D124-Y189 PolarHBondContact N-OH 3.38Å; K185-Y189 WeakPolarHBondContact O-CB 3.32Å; K185-Y189 PolarHBondContact O-N 3.43Å; N186-Y189 PolarHBondContact O-N 3.23Å; I187-Y189 VanDerWaalsContact C-N 3.34Å; I187-Y189 PolarHBondContact O-N 3.35Å; Y189-L191 VanDerWaalsContact C-N 3.28Å; Y189-L191 PolarHBondContact O-N 3.36Å; Y189-K192 WeakPolarHBondContact O-CB 3.44Å; Y189-K192 PolarHBondContact O-N 3.39Å; Y189-K192 VanDerWaalsContact O-N 3.15Å; Y189-I193 HydrophobicContact CD1-CG1 4.25Å; Y189-I193 HydrophobicContact CE1-CD1 4.19Å; Y189-I193 HydrophobicContact CE1-CG1 3.84Å; Y189-I193 HydrophobicContact CE2-CD1 4.32Å; Y189-I193 PolarHBondContact O-N 3.45Å
190	L	82.5	Confident	82.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-29.2	176.9	-74.2	179	0	0	0	113.1	K174 F175 Y178 N186 I187 V188 K192 I193 F194	K174-L190 HydrophobicContact CB-CD1 4.2Å; F175-L190 HydrophobicContact CB-CD1 3.71Å; F175-L190 HydrophobicContact CD2-CB 4.14Å; F175-L190 HydrophobicContact CD2-CD1 3.95Å; F175-L190 HydrophobicContact CG-CD1 4.3Å; Y178-L190 HydrophobicContact CD2-CD1 3.46Å; Y178-L190 VanDerWaalsContact CD2-CD1 3.46Å; Y178-L190 HydrophobicContact CD2-CG 4.16Å; Y178-L190 HydrophobicContact CE2-CD1 3.85Å; Y178-L190 HydrophobicContact CE2-CG 4.21Å; N186-L190 WeakPolarHBondContact O-CG 3.18Å; N186-L190 PolarHBondContact O-N 2.83Å; I187-L190 PolarHBondContact O-N 2.71Å; V188-L190 VanDerWaalsContact C-N 3.33Å; V188-L190 PolarHBondContact O-N 2.92Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 3.17Å; L190-I193 HydrophobicContact CD2-CG1 4.45Å; L190-I193 WeakPolarHBondContact O-CB 3.33Å; L190-I193 PolarHBondContact O-N 3.17Å; L190-I193 VanDerWaalsContact O-N 3.09Å; L190-F194 WeakPolarHBondContact O-CD2 3.43Å; L190-F194 PolarHBondContact O-N 3.34Å
191	L	82.8	Confident	82.6	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-41.3	172.6	-172.9	68.7	0	0	0	111.4	I187 V188 Y189 I193 F194 F195 F207 V259	I187-L191 PolarHBondContact O-N 3.37Å; I187-L191 VanDerWaalsContact O-N 3.15Å; V188-L191 WeakPolarHBondContact O-CB 3.35Å; V188-L191 PolarHBondContact O-N 3.02Å; V188-L191 VanDerWaalsContact O-N 3.16Å; Y189-L191 VanDerWaalsContact C-N 3.28Å; Y189-L191 PolarHBondContact O-N 3.36Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 2.89Å; L191-F194 PolarHBondContact O-N 3.11Å; L191-F195 PolarHBondContact O-N 3.48Å; L191-F195 VanDerWaalsContact O-N 3.14Å; L191-F207 HydrophobicContact CD1-CB 4.16Å; L191-F207 HydrophobicContact CD1-CG 4.47Å; L191-F207 HydrophobicContact CD2-CD1 4.33Å; L191-F207 HydrophobicContact CD2-CE1 4.48Å; L191-V259 HydrophobicContact CD2-CG2 4.15Å
192	K	83.4	Confident	82.6	Confident	88 Å²	88	55.6 Å²	55.6	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-41.2	172.1	-178.6	-173.4	175	-173.3	0	111.4	V188 Y189 L190 F195 L196 Y262	V188-K192 PolarHBondContact O-N 3.48Å; Y189-K192 WeakPolarHBondContact O-CB 3.44Å; Y189-K192 PolarHBondContact O-N 3.39Å; Y189-K192 VanDerWaalsContact O-N 3.15Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 3.17Å; K192-F195 PolarHBondContact O-N 3.44Å; K192-L196 HydrophobicContact CG-CD1 4.3Å; K192-L196 WeakPolarHBondContact O-CG 3.32Å; K192-L196 PolarHBondContact O-N 3.44Å; K192-Y262 HydrophobicContact CB-CD1 3.94Å; K192-Y262 HydrophobicContact CB-CE1 4.35Å; K192-Y262 HydrophobicContact CB-CG 4.18Å; K192-Y262 HydrophobicContact CD-CD1 4.2Å; K192-Y262 HydrophobicContact CD-CE1 4.11Å; K192-Y262 HydrophobicContact CG-CD1 3.99Å; K192-Y262 HydrophobicContact CG-CE1 4.38Å
193	I	84.3	Confident	83	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-44.4	177.8	-59.9	-57.1	0	0	0	111.5	L123 D124 A127 A171 Y189 L190 L191 F195 L196 L197	L123-I193 HydrophobicContact CB-CD1 4.47Å; D124-I193 HydrophobicContact CB-CD1 4.14Å; A127-I193 HydrophobicContact CB-CD1 4.13Å; A127-I193 HydrophobicContact CB-CG2 4.06Å; A171-I193 HydrophobicContact CB-CG2 4.38Å; Y189-I193 HydrophobicContact CD1-CG1 4.25Å; Y189-I193 HydrophobicContact CE1-CD1 4.19Å; Y189-I193 HydrophobicContact CE1-CG1 3.84Å; Y189-I193 HydrophobicContact CE2-CD1 4.32Å; Y189-I193 PolarHBondContact O-N 3.45Å; L190-I193 HydrophobicContact CD2-CG1 4.45Å; L190-I193 WeakPolarHBondContact O-CB 3.33Å; L190-I193 PolarHBondContact O-N 3.17Å; L190-I193 VanDerWaalsContact O-N 3.09Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 2.89Å; I193-F195 VanDerWaalsContact C-N 3.3Å; I193-F195 PolarHBondContact O-N 2.92Å; I193-L196 PolarHBondContact O-N 3.26Å; I193-L197 HydrophobicContact CG2-CD1 3.79Å; I193-L197 HydrophobicContact CG2-CG 4.32Å; I193-L197 VanDerWaalsContact O-CG 3.29Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 2.75Å
194	F	85.1	Confident	83.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-39.8	176.5	-81.1	-66.6	0	0	0	112.6	A171 V172 F175 L190 L191 L197 G198 E199 E202	A171-F194 HydrophobicContact CB-CE1 4.11Å; A171-F194 HydrophobicContact CB-CE2 4.46Å; A171-F194 HydrophobicContact CB-CZ 3.96Å; V172-F194 HydrophobicContact CG2-CE1 4.16Å; V172-F194 HydrophobicContact CG2-CZ 4.04Å; F175-F194 HydrophobicContact CB-CE2 4.47Å; F175-F194 HydrophobicContact CD2-CE2 4.13Å; L190-F194 WeakPolarHBondContact O-CD2 3.43Å; L190-F194 PolarHBondContact O-N 3.34Å; L191-F194 PolarHBondContact O-N 3.11Å; F194-L197 PolarHBondContact O-N 3.14Å; F194-G198 PolarHBondContact O-N 3.34Å; F194-E199 HydrophobicContact CD1-CB 4.34Å; F194-E199 CarbonylContact O-C 3.55Å; F194-E199 PolarHBondContact O-N 3.38Å; F194-E202 HydrophobicContact CE1-CG 4.48Å
195	F	83.4	Confident	83.5	Confident	65 Å²	65	45 Å²	45	29%	0.285	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-48.3	173.7	175.4	-97.8	0	0	0	111.8	F131 L191 K192 I193 L197 G198 T200 Y262	F131-F195 AromaticContact CE2-CE1 3.92Å; F131-F195 HydrophobicContact CE2-CE1 3.92Å; F131-F195 HydrophobicContact CE2-CZ 4.35Å; F131-F195 HydrophobicContact CZ-CE1 4.32Å; L191-F195 PolarHBondContact O-N 3.48Å; L191-F195 VanDerWaalsContact O-N 3.14Å; K192-F195 PolarHBondContact O-N 3.44Å; I193-F195 VanDerWaalsContact C-N 3.3Å; I193-F195 PolarHBondContact O-N 2.92Å; F195-L197 PolarHBondContact O-N 3.46Å; F195-G198 PolarHBondContact O-N 3.43Å; F195-T200 HydrophobicContact CD2-CG2 4.27Å; F195-Y262 WeakPolarHBondContact CD1-O 3.31Å; F195-Y262 WeakPolarHBondContact CD2-O 3.46Å; F195-Y262 WeakPolarHBondContact CG-O 3.36Å
196	L	81.5	Confident	83.6	Confident	26 Å²	26	38.3 Å²	38.3	14%	0.136	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-30.8	178.4	-70.1	173.5	0	0	0	112.7	A127 F131 K192 I193 G198	A127-L196 HydrophobicContact CB-CB 3.74Å; A127-L196 HydrophobicContact CB-CD1 4.09Å; F131-L196 WeakPolarHBondContact CA-O 3.31Å; F131-L196 HydrophobicContact CB-CB 4.23Å; F131-L196 HydrophobicContact CB-CD2 3.84Å; F131-L196 VanDerWaalsContact CB-O 3.3Å; F131-L196 WeakPolarHBondContact CB-O 3.29Å; F131-L196 HydrophobicContact CD1-CD2 4.21Å; F131-L196 HydrophobicContact CD2-CD2 3.96Å; F131-L196 HydrophobicContact CG-CD2 3.72Å; F131-L196 PolarHBondContact N-O 3.32Å; K192-L196 HydrophobicContact CG-CD1 4.3Å; K192-L196 WeakPolarHBondContact O-CG 3.32Å; K192-L196 PolarHBondContact O-N 3.44Å; I193-L196 PolarHBondContact O-N 3.26Å; L196-G198 PolarHBondContact O-N 3.48Å
197	L	82.4	Confident	83.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	175.2	-65.5	170.7	0	0	0	113.7	A127 V130 L134 R164 L167 V168 A171 I193 F194 F195 E199	A127-L197 HydrophobicContact CB-CD2 4.17Å; A127-L197 HydrophobicContact CB-CG 4.22Å; V130-L197 HydrophobicContact CB-CD2 4.12Å; V130-L197 HydrophobicContact CG1-CD2 4.03Å; V130-L197 HydrophobicContact CG2-CD2 4.29Å; L134-L197 VanDerWaalsContact CD1-C 3.48Å; L134-L197 WeakPolarHBondContact CD1-O 3.46Å; R164-L197 VanDerWaalsContact CZ-O 3.27Å; R164-L197 PolarHBondContact NE-O 3.27Å; R164-L197 PolarHBondContact NH2-O 3.21Å; L167-L197 HydrophobicContact CB-CD1 4.15Å; L167-L197 HydrophobicContact CB-CD2 3.81Å; L167-L197 HydrophobicContact CD1-CD2 3.96Å; V168-L197 HydrophobicContact CG2-CB 4.31Å; V168-L197 HydrophobicContact CG2-CD1 4.03Å; A171-L197 HydrophobicContact CB-CD1 4.4Å; I193-L197 HydrophobicContact CG2-CD1 3.79Å; I193-L197 HydrophobicContact CG2-CG 4.32Å; I193-L197 VanDerWaalsContact O-CG 3.29Å; I193-L197 WeakPolarHBondContact O-CG 3.48Å; I193-L197 PolarHBondContact O-N 2.75Å; F194-L197 PolarHBondContact O-N 3.14Å; F195-L197 PolarHBondContact O-N 3.46Å; L197-E199 PolarHBondContact O-N 2.74Å
198	G	79.6	Confident	84.1	Confident	39 Å²	39	36 Å²	36	40%	0.402	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	8.3	-177.5	0	0	0	0	0	114.9	F194 F195 L196 T200	F194-G198 PolarHBondContact O-N 3.34Å; F195-G198 PolarHBondContact O-N 3.43Å; L196-G198 PolarHBondContact O-N 3.48Å; G198-T200 PolarHBondContact O-N 2.95Å
199	E	82.7	Confident	84.4	Confident	72 Å²	72	39.5 Å²	39.5	34%	0.336	19%	0.193	S	C	.	.			trans	-102.5	46.6	-178.1	-66.8	-59.8	154.4	0	0	111.3	R164 V168 F194 L197 N201 E202 G203	R164-E199 IonicContact CZ-OE1 3.97Å; R164-E199 IonicContact NH2-OE1 2.63Å; R164-E199 PolarHBondContact NH2-OE1 3.2Å; V168-E199 HydrophobicContact CG2-CG 3.99Å; F194-E199 HydrophobicContact CD1-CB 4.34Å; F194-E199 CarbonylContact O-C 3.55Å; F194-E199 PolarHBondContact O-N 3.38Å; L197-E199 PolarHBondContact O-N 2.74Å; E199-N201 VanDerWaalsContact C-N 3.29Å; E199-N201 PolarHBondContact O-N 3.25Å; E199-E202 HydrophobicContact CB-CB 4.38Å; E199-E202 PolarHBondContact O-N 3.07Å; E199-G203 PolarHBondContact O-N 2.98Å
200	T	81.4	Confident	84.6	Confident	26 Å²	26	37 Å²	37	16%	0.16	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-39.4	-175.4	-49.8	0	0	0	0	112.5	F195 G198 G203 I204 C263	F195-T200 HydrophobicContact CD2-CG2 4.27Å; G198-T200 PolarHBondContact O-N 2.95Å; T200-G203 PolarHBondContact O-N 3.34Å; T200-I204 HydrophobicContact CG2-CD1 3.72Å; T200-I204 HydrophobicContact CG2-CG1 4.41Å; T200-I204 WeakPolarHBondContact O-CB 3.34Å; T200-I204 WeakPolarHBondContact O-CD1 3.17Å; T200-I204 VanDerWaalsContact O-CG1 3.23Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 3.37Å; T200-C263 HydrophobicContact CG2-CB 3.82Å
201	N	83.7	Confident	85	Confident	130 Å²	130	37.2 Å²	37.2	70%	0.695	18%	0.184	S	C	*	.	H	α-helix	trans	-64.7	-41.6	179.1	-70.4	-37	0	0	0	112.3	E199 R205	E199-N201 VanDerWaalsContact C-N 3.29Å; E199-N201 PolarHBondContact O-N 3.25Å; N201-R205 WeakPolarHBondContact O-CB 3.38Å; N201-R205 PolarHBondContact O-N 3.31Å
202	E	84.4	Confident	85.5	Confident	47 Å²	47	38 Å²	38	22%	0.22	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-40.9	179.2	-180	58.3	-165.5	0	0	110.9	F194 E199 R205 R206	F194-E202 HydrophobicContact CE1-CG 4.48Å; E199-E202 HydrophobicContact CB-CB 4.38Å; E199-E202 PolarHBondContact O-N 3.07Å; E202-R205 VanDerWaalsContact CD-NH2 3.32Å; E202-R205 PolarHBondContact O-N 3.19Å; E202-R205 IonicContact OE1-CZ 2.72Å; E202-R205 IonicContact OE1-NE 2.93Å; E202-R205 IonicContact OE1-NH2 3.76Å; E202-R205 PolarHBondContact OE1-NH2 2.85Å; E202-R205 IonicContact OE2-CZ 3.12Å; E202-R205 IonicContact OE2-NE 3.45Å; E202-R205 PolarHBondContact OE2-NE 3.14Å; E202-R205 IonicContact OE2-NH2 2.6Å; E202-R205 PolarHBondContact OE2-NH2 2.87Å; E202-R206 WeakPolarHBondContact O-CB 3.49Å; E202-R206 WeakPolarHBondContact O-CG 3.34Å; E202-R206 PolarHBondContact O-N 3.15Å; E202-R206 IonicContact OE1-CZ 2.8Å; E202-R206 IonicContact OE1-NE 2.97Å; E202-R206 PolarHBondContact OE1-NE 2.81Å; E202-R206 IonicContact OE1-NH2 2.64Å
203	G	85.8	Confident	85.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-49.8	173.3	0	0	0	0	0	112.4	E199 T200 R205 R206 F207	E199-G203 PolarHBondContact O-N 2.98Å; T200-G203 PolarHBondContact O-N 3.34Å; G203-R205 PolarHBondContact O-N 2.96Å; G203-R206 PolarHBondContact O-N 3.21Å; G203-F207 VanDerWaalsContact O-CB 3.25Å; G203-F207 WeakPolarHBondContact O-CB 3.37Å; G203-F207 PolarHBondContact O-N 3.05Å
204	I	85.8	Confident	86.1	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.4	-66.5	162	0	0	0	110.9	T200 R206 F207 S208 C263 N267 L271	T200-I204 HydrophobicContact CG2-CD1 3.72Å; T200-I204 HydrophobicContact CG2-CG1 4.41Å; T200-I204 WeakPolarHBondContact O-CB 3.34Å; T200-I204 WeakPolarHBondContact O-CD1 3.17Å; T200-I204 VanDerWaalsContact O-CG1 3.23Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 3.37Å; I204-R206 PolarHBondContact O-N 3.1Å; I204-F207 PolarHBondContact O-N 3.33Å; I204-S208 WeakPolarHBondContact O-CB 3.43Å; I204-S208 PolarHBondContact O-N 3.26Å; I204-C263 HydrophobicContact CD1-CB 4.45Å; I204-N267 HydrophobicContact CD1-CB 3.6Å; I204-L271 HydrophobicContact CG2-CB 4.44Å
205	R	87.2	Confident	86.5	Confident	112 Å²	112	40.7 Å²	40.7	42%	0.423	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-46.8	178.7	-172.3	-169.9	71.6	76.6	1.9	111.2	N201 E202 G203 S208 I209	N201-R205 WeakPolarHBondContact O-CB 3.38Å; N201-R205 PolarHBondContact O-N 3.31Å; E202-R205 VanDerWaalsContact CD-NH2 3.32Å; E202-R205 PolarHBondContact O-N 3.19Å; E202-R205 IonicContact OE1-CZ 2.72Å; E202-R205 IonicContact OE1-NE 2.93Å; E202-R205 IonicContact OE1-NH2 3.76Å; E202-R205 PolarHBondContact OE1-NH2 2.85Å; E202-R205 IonicContact OE2-CZ 3.12Å; E202-R205 IonicContact OE2-NE 3.45Å; E202-R205 PolarHBondContact OE2-NE 3.14Å; E202-R205 IonicContact OE2-NH2 2.6Å; E202-R205 PolarHBondContact OE2-NH2 2.87Å; G203-R205 PolarHBondContact O-N 2.96Å; R205-S208 WeakPolarHBondContact O-CB 3.4Å; R205-S208 PolarHBondContact O-N 3.12Å; R205-I209 HydrophobicContact CG-CD1 4.31Å; R205-I209 VanDerWaalsContact O-CG1 3.3Å; R205-I209 WeakPolarHBondContact O-CG1 3.39Å; R205-I209 PolarHBondContact O-N 3.35Å
206	R	85.8	Confident	86.9	Confident	38 Å²	38	38.4 Å²	38.4	14%	0.143	20%	0.2	C	C	.	.	H	α-helix	trans	-67.6	-44.5	178.2	-75.6	-173.1	172.4	-108.1	-0.1	112.6	V172 F175 D176 E202 G203 I204 S208 I209 Y210	V172-R206 VanDerWaalsContact CG1-CZ 3.49Å; F175-R206 HydrophobicContact CD1-CB 4.05Å; F175-R206 HydrophobicContact CE1-CB 3.63Å; F175-R206 HydrophobicContact CE1-CG 4.5Å; F175-R206 HydrophobicContact CE2-CB 4.35Å; F175-R206 HydrophobicContact CZ-CB 3.81Å; D176-R206 IonicContact OD1-NH1 3.6Å; D176-R206 PolarHBondContact OD1-NH1 3.47Å; D176-R206 IonicContact OD2-CZ 2.83Å; D176-R206 IonicContact OD2-NH1 3.39Å; D176-R206 PolarHBondContact OD2-NH1 2.91Å; E202-R206 WeakPolarHBondContact O-CB 3.49Å; E202-R206 WeakPolarHBondContact O-CG 3.34Å; E202-R206 PolarHBondContact O-N 3.15Å; E202-R206 IonicContact OE1-CZ 2.8Å; E202-R206 IonicContact OE1-NE 2.97Å; E202-R206 PolarHBondContact OE1-NE 2.81Å; E202-R206 IonicContact OE1-NH2 2.64Å; G203-R206 PolarHBondContact O-N 3.21Å; I204-R206 PolarHBondContact O-N 3.1Å; R206-S208 VanDerWaalsContact C-N 3.26Å; R206-S208 PolarHBondContact O-N 2.72Å; R206-I209 PolarHBondContact O-N 3.19Å; R206-Y210 PolarHBondContact O-N 3.31Å
207	F	87.6	Confident	87.4	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-39.8	174.5	-174.9	-116.9	0	0	0	111.9	I187 V188 L191 G203 I204 Y210 L211 N255 V259 L271	I187-F207 HydrophobicContact CG2-CD2 3.78Å; I187-F207 HydrophobicContact CG2-CE2 4Å; V188-F207 HydrophobicContact CG2-CE2 4.44Å; L191-F207 HydrophobicContact CD1-CB 4.16Å; L191-F207 HydrophobicContact CD1-CG 4.47Å; L191-F207 HydrophobicContact CD2-CD1 4.33Å; L191-F207 HydrophobicContact CD2-CE1 4.48Å; G203-F207 VanDerWaalsContact O-CB 3.25Å; G203-F207 WeakPolarHBondContact O-CB 3.37Å; G203-F207 PolarHBondContact O-N 3.05Å; I204-F207 PolarHBondContact O-N 3.33Å; F207-Y210 HydrophobicContact CD2-CD1 4.42Å; F207-Y210 HydrophobicContact CE2-CD1 4.43Å; F207-Y210 WeakPolarHBondContact O-CB 3.15Å; F207-Y210 PolarHBondContact O-N 3.38Å; F207-L211 HydrophobicContact CD1-CD1 3.8Å; F207-L211 HydrophobicContact CE1-CD1 3.36Å; F207-L211 HydrophobicContact CE1-CG 4.31Å; F207-L211 HydrophobicContact CE2-CD1 4.28Å; F207-L211 HydrophobicContact CE2-CG 4.42Å; F207-L211 HydrophobicContact CG-CD1 4.43Å; F207-L211 HydrophobicContact CZ-CD1 3.64Å; F207-L211 HydrophobicContact CZ-CG 4.21Å; F207-L211 WeakPolarHBondContact O-CG 3.35Å; F207-L211 PolarHBondContact O-N 3.3Å; F207-N255 HydrophobicContact CE1-CB 4.09Å; F207-N255 HydrophobicContact CZ-CB 3.96Å; F207-N255 WeakPolarHBondContact CZ-OD1 3.2Å; F207-V259 HydrophobicContact CD1-CG2 4.22Å; F207-V259 HydrophobicContact CE1-CG2 4.03Å; F207-L271 HydrophobicContact CD1-CD1 4.33Å; F207-L271 HydrophobicContact CE1-CD2 4.33Å
208	S	89.8	Confident	87.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-42.8	175.4	-177.3	0	0	0	0	112.3	I204 R205 R206 L211 C212 S274	I204-S208 WeakPolarHBondContact O-CB 3.43Å; I204-S208 PolarHBondContact O-N 3.26Å; R205-S208 WeakPolarHBondContact O-CB 3.4Å; R205-S208 PolarHBondContact O-N 3.12Å; R206-S208 VanDerWaalsContact C-N 3.26Å; R206-S208 PolarHBondContact O-N 2.72Å; S208-L211 PolarHBondContact O-N 2.65Å; S208-C212 VanDerWaalsContact O-CB 3.32Å; S208-C212 WeakPolarHBondContact O-CB 3.3Å; S208-C212 PolarHBondContact O-N 3.05Å; S208-C212 PolarHBondContact O-SG 3.28Å; S208-S274 WeakPolarHBondContact OG-CB 3.37Å; S208-S274 PolarHBondContact OG-OG 2.93Å
209	I	89.3	Confident	88.3	Confident	92 Å²	92	42.6 Å²	42.6	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-43.6	174.5	-70	161.6	0	0	0	111.2	R205 R206 C212 S213	R205-I209 HydrophobicContact CG-CD1 4.31Å; R205-I209 VanDerWaalsContact O-CG1 3.3Å; R205-I209 WeakPolarHBondContact O-CG1 3.39Å; R205-I209 PolarHBondContact O-N 3.35Å; R206-I209 PolarHBondContact O-N 3.19Å; I209-C212 PolarHBondContact O-N 3.43Å; I209-S213 WeakPolarHBondContact O-CB 3.31Å; I209-S213 PolarHBondContact O-N 2.92Å
210	Y	89.4	Confident	88.7	Confident	22 Å²	22	44 Å²	44	9%	0.086	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-51.5	174.4	164.7	-105.4	0	0	0	111.2	V179 I187 R206 F207 C212 S213 Y214	V179-Y210 HydrophobicContact CB-CD2 4.48Å; V179-Y210 HydrophobicContact CG1-CD2 4.16Å; V179-Y210 HydrophobicContact CG2-CD2 3.92Å; V179-Y210 HydrophobicContact CG2-CG 4.33Å; I187-Y210 HydrophobicContact CD1-CD1 4.29Å; I187-Y210 HydrophobicContact CD1-CD2 3.87Å; I187-Y210 HydrophobicContact CD1-CE1 4Å; I187-Y210 HydrophobicContact CD1-CE2 3.52Å; I187-Y210 HydrophobicContact CD1-CG 4.23Å; I187-Y210 HydrophobicContact CG2-CD1 4.06Å; I187-Y210 HydrophobicContact CG2-CE1 4.31Å; I187-Y210 HydrophobicContact CG2-CG 4.49Å; R206-Y210 PolarHBondContact O-N 3.31Å; F207-Y210 HydrophobicContact CD2-CD1 4.42Å; F207-Y210 HydrophobicContact CE2-CD1 4.43Å; F207-Y210 WeakPolarHBondContact O-CB 3.15Å; F207-Y210 PolarHBondContact O-N 3.38Å; Y210-C212 VanDerWaalsContact C-N 3.34Å; Y210-C212 PolarHBondContact O-N 3.23Å; Y210-S213 WeakPolarHBondContact O-CB 3.4Å; Y210-S213 PolarHBondContact O-N 2.94Å; Y210-Y214 WeakPolarHBondContact O-CB 3.34Å; Y210-Y214 PolarHBondContact O-N 3.13Å
211	L	90.1	Very high	89.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-39.1	179	-72.8	174.2	0	0	0	112.3	F207 S208 S213 Y214 I215 T251 N255 L271 V275	F207-L211 HydrophobicContact CD1-CD1 3.8Å; F207-L211 HydrophobicContact CE1-CD1 3.36Å; F207-L211 HydrophobicContact CE1-CG 4.31Å; F207-L211 HydrophobicContact CE2-CD1 4.28Å; F207-L211 HydrophobicContact CE2-CG 4.42Å; F207-L211 HydrophobicContact CG-CD1 4.43Å; F207-L211 HydrophobicContact CZ-CD1 3.64Å; F207-L211 HydrophobicContact CZ-CG 4.21Å; F207-L211 WeakPolarHBondContact O-CG 3.35Å; F207-L211 PolarHBondContact O-N 3.3Å; S208-L211 PolarHBondContact O-N 2.65Å; L211-S213 VanDerWaalsContact C-N 3.32Å; L211-S213 PolarHBondContact O-N 3.48Å; L211-Y214 PolarHBondContact O-N 3.29Å; L211-I215 WeakPolarHBondContact O-CB 3.49Å; L211-I215 VanDerWaalsContact O-CG1 3.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.25Å; L211-I215 PolarHBondContact O-N 2.89Å; L211-T251 HydrophobicContact CD2-CG2 4.17Å; L211-N255 HydrophobicContact CD1-CB 3.76Å; L211-N255 HydrophobicContact CD2-CB 4.33Å; L211-L271 HydrophobicContact CD1-CD1 3.59Å; L211-L271 HydrophobicContact CD1-CD2 4.27Å; L211-V275 HydrophobicContact CB-CG2 4.5Å
212	C	92.7	Very high	89.3	Confident	19 Å²	19	41.8 Å²	41.8	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-40.7	174.9	-71.3	0	0	0	0	111.7	S208 I209 Y210 S216 V278	S208-C212 VanDerWaalsContact O-CB 3.32Å; S208-C212 WeakPolarHBondContact O-CB 3.3Å; S208-C212 PolarHBondContact O-N 3.05Å; S208-C212 PolarHBondContact O-SG 3.28Å; I209-C212 PolarHBondContact O-N 3.43Å; Y210-C212 VanDerWaalsContact C-N 3.34Å; Y210-C212 PolarHBondContact O-N 3.23Å; C212-S216 WeakPolarHBondContact O-CB 3.49Å; C212-S216 PolarHBondContact O-N 3.32Å; C212-S216 PolarHBondContact O-OG 2.74Å; C212-V278 HydrophobicContact CB-CG2 3.69Å
213	S	90.7	Very high	89.4	Confident	61 Å²	61	40.5 Å²	40.5	43%	0.427	20%	0.197	S	C	.	.	H	α-helix	trans	-67.2	-45.1	175.3	-179.4	0	0	0	0	111.6	I209 Y210 L211 I215 S216 N217	I209-S213 WeakPolarHBondContact O-CB 3.31Å; I209-S213 PolarHBondContact O-N 2.92Å; Y210-S213 WeakPolarHBondContact O-CB 3.4Å; Y210-S213 PolarHBondContact O-N 2.94Å; L211-S213 VanDerWaalsContact C-N 3.32Å; L211-S213 PolarHBondContact O-N 3.48Å; S213-I215 PolarHBondContact O-N 2.9Å; S213-S216 PolarHBondContact O-N 3.2Å; S213-N217 VanDerWaalsContact O-CG 3.25Å; S213-N217 PolarHBondContact O-N 3.07Å; S213-N217 PolarHBondContact O-ND2 2.97Å
214	Y	90.2	Very high	89.4	Confident	85 Å²	85	44.1 Å²	44.1	33%	0.333	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-49.5	175.9	177.3	-103.4	0	0	0	111.9	Y210 L211 N217 K218 F247 T251	Y210-Y214 WeakPolarHBondContact O-CB 3.34Å; Y210-Y214 PolarHBondContact O-N 3.13Å; L211-Y214 PolarHBondContact O-N 3.29Å; Y214-N217 PolarHBondContact O-N 3.45Å; Y214-K218 PolarHBondContact O-N 2.88Å; Y214-F247 HydrophobicContact CD1-CZ 4.14Å; Y214-F247 HydrophobicContact CE1-CE2 4.11Å; Y214-F247 AromaticContact CE1-CZ 3.56Å; Y214-F247 HydrophobicContact CE1-CZ 3.56Å; Y214-T251 HydrophobicContact CD1-CG2 4.36Å; Y214-T251 HydrophobicContact CE1-CG2 4.41Å
215	I	92.5	Very high	89.3	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-44.8	177.5	-69.6	168.2	0	0	0	110.5	L211 S213 N217 K218 C219 F247 V248 T251 V275 V278	L211-I215 WeakPolarHBondContact O-CB 3.49Å; L211-I215 VanDerWaalsContact O-CG1 3.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.25Å; L211-I215 PolarHBondContact O-N 2.89Å; S213-I215 PolarHBondContact O-N 2.9Å; I215-N217 PolarHBondContact O-N 2.93Å; I215-K218 PolarHBondContact O-N 3.11Å; I215-C219 WeakPolarHBondContact O-CB 3.42Å; I215-C219 PolarHBondContact O-N 2.93Å; I215-C219 PolarHBondContact O-SG 2.9Å; I215-F247 HydrophobicContact CB-CE1 4.41Å; I215-F247 HydrophobicContact CG1-CE1 4.11Å; I215-F247 HydrophobicContact CG2-CE1 4.44Å; I215-V248 HydrophobicContact CD1-CG1 4.37Å; I215-V248 HydrophobicContact CG2-CG2 3.66Å; I215-T251 HydrophobicContact CD1-CG2 4.08Å; I215-T251 HydrophobicContact CG1-CG2 4.12Å; I215-V275 HydrophobicContact CD1-CB 4.48Å; I215-V275 HydrophobicContact CD1-CG1 3.49Å; I215-V275 VanDerWaalsContact CD1-CG1 3.49Å; I215-V275 HydrophobicContact CD1-CG2 4.19Å; I215-V278 HydrophobicContact CG2-CG1 4.07Å
216	S	93.1	Very high	88.9	Confident	17 Å²	17	43.2 Å²	43.2	12%	0.119	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-48	178.6	-66.7	0	0	0	0	112.3	C212 S213 K218 C219 E220 V278 Y282	C212-S216 WeakPolarHBondContact O-CB 3.49Å; C212-S216 PolarHBondContact O-N 3.32Å; C212-S216 PolarHBondContact O-OG 2.74Å; S213-S216 PolarHBondContact O-N 3.2Å; S216-K218 VanDerWaalsContact C-N 3.28Å; S216-K218 PolarHBondContact O-N 3.1Å; S216-C219 PolarHBondContact O-N 3.32Å; S216-E220 WeakPolarHBondContact O-CB 3.43Å; S216-E220 WeakPolarHBondContact O-CG 3.31Å; S216-E220 PolarHBondContact O-N 3.43Å; S216-V278 WeakPolarHBondContact OG-CG1 3.14Å; S216-Y282 WeakPolarHBondContact CA-OH 3.33Å; S216-Y282 VanDerWaalsContact CB-OH 3.27Å; S216-Y282 WeakPolarHBondContact CB-OH 3.41Å; S216-Y282 PolarHBondContact O-OH 3.32Å
217	N	91.2	Very high	88.2	Confident	73 Å²	73	47.1 Å²	47.1	39%	0.39	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-40.1	178.1	-69.8	-38.4	0	0	0	112	S213 Y214 I215 L221	S213-N217 VanDerWaalsContact O-CG 3.25Å; S213-N217 PolarHBondContact O-N 3.07Å; S213-N217 PolarHBondContact O-ND2 2.97Å; Y214-N217 PolarHBondContact O-N 3.45Å; I215-N217 PolarHBondContact O-N 2.93Å; N217-L221 PolarHBondContact O-N 2.85Å; N217-L221 VanDerWaalsContact O-N 3.14Å
218	K	90.5	Very high	86.8	Confident	80 Å²	80	51.4 Å²	51.4	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-69.9	-45.9	177.3	-174.3	67.4	175.4	177.6	0	111.4	Y214 I215 S216 E220 L221 L222 F247	Y214-K218 PolarHBondContact O-N 2.88Å; I215-K218 PolarHBondContact O-N 3.11Å; S216-K218 VanDerWaalsContact C-N 3.28Å; S216-K218 PolarHBondContact O-N 3.1Å; K218-E220 VanDerWaalsContact C-N 3.33Å; K218-E220 PolarHBondContact O-N 3.19Å; K218-L221 WeakPolarHBondContact O-CB 3.42Å; K218-L221 PolarHBondContact O-N 3.22Å; K218-L222 WeakPolarHBondContact O-CG 3.26Å; K218-L222 PolarHBondContact O-N 3.17Å; K218-F247 HydrophobicContact CB-CD1 4.37Å; K218-F247 HydrophobicContact CB-CE1 3.6Å; K218-F247 HydrophobicContact CB-CZ 3.71Å; K218-F247 HydrophobicContact CG-CD1 3.97Å; K218-F247 HydrophobicContact CG-CD2 4.34Å; K218-F247 HydrophobicContact CG-CE1 3.59Å; K218-F247 HydrophobicContact CG-CE2 3.99Å; K218-F247 HydrophobicContact CG-CG 4.32Å; K218-F247 HydrophobicContact CG-CZ 3.6Å
219	C	90.7	Very high	85.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-41.7	177.4	-68.6	0	0	0	0	111.9	I215 S216 L221 L222 I223 Y282	I215-C219 WeakPolarHBondContact O-CB 3.42Å; I215-C219 PolarHBondContact O-N 2.93Å; I215-C219 PolarHBondContact O-SG 2.9Å; S216-C219 PolarHBondContact O-N 3.32Å; C219-L221 PolarHBondContact O-N 2.89Å; C219-L222 PolarHBondContact O-N 3.34Å; C219-I223 VanDerWaalsContact O-CG1 3.28Å; C219-I223 WeakPolarHBondContact O-CG1 3.26Å; C219-I223 PolarHBondContact O-N 3.41Å; C219-Y282 HydrophobicContact CB-CD1 3.92Å; C219-Y282 HydrophobicContact CB-CD2 3.69Å; C219-Y282 HydrophobicContact CB-CE1 4.03Å; C219-Y282 HydrophobicContact CB-CE2 3.81Å; C219-Y282 HydrophobicContact CB-CG 3.76Å
220	E	91.6	Very high	83.1	Confident	102 Å²	102	55.5 Å²	55.5	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.4	-74.5	177.4	-175.8	0	0	112	S216 K218 I223 T224 Y282	S216-E220 WeakPolarHBondContact O-CB 3.43Å; S216-E220 WeakPolarHBondContact O-CG 3.31Å; S216-E220 PolarHBondContact O-N 3.43Å; K218-E220 VanDerWaalsContact C-N 3.33Å; K218-E220 PolarHBondContact O-N 3.19Å; E220-I223 PolarHBondContact O-N 3.16Å; E220-T224 WeakPolarHBondContact O-CB 3.49Å; E220-T224 VanDerWaalsContact O-CG2 3.29Å; E220-T224 WeakPolarHBondContact O-CG2 3.15Å; E220-T224 PolarHBondContact O-N 3.01Å; E220-T224 PolarHBondContact O-OG1 3.37Å; E220-Y282 HydrophobicContact CG-CE1 3.95Å; E220-Y282 WeakPolarHBondContact CG-OH 3.47Å; E220-Y282 PolarHBondContact OE1-OH 3.44Å
221	L	89.6	Confident	81	Confident	94 Å²	94	62.3 Å²	62.3	49%	0.492	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.1	-176.6	68.2	0	0	0	111.8	N217 K218 C219 T224 T225	N217-L221 PolarHBondContact O-N 2.85Å; N217-L221 VanDerWaalsContact O-N 3.14Å; K218-L221 WeakPolarHBondContact O-CB 3.42Å; K218-L221 PolarHBondContact O-N 3.22Å; C219-L221 PolarHBondContact O-N 2.89Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 PolarHBondContact O-N 3.27Å; L221-T224 PolarHBondContact O-OG1 2.8Å; L221-T225 VanDerWaalsContact O-CB 3.3Å; L221-T225 WeakPolarHBondContact O-CB 3.4Å; L221-T225 PolarHBondContact O-N 2.92Å; L221-T225 PolarHBondContact O-OG1 2.87Å
222	L	88.2	Confident	79.1	Confident	15 Å²	15	67.9 Å²	67.9	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-63.9	-46.4	178	-67.3	179.9	0	0	0	111.5	K218 C219 T224 T225 N226 L240 E243 I244	K218-L222 WeakPolarHBondContact O-CG 3.26Å; K218-L222 PolarHBondContact O-N 3.17Å; C219-L222 PolarHBondContact O-N 3.34Å; L222-T224 VanDerWaalsContact C-N 3.35Å; L222-T224 PolarHBondContact O-N 3.3Å; L222-T225 PolarHBondContact O-N 3.21Å; L222-N226 VanDerWaalsContact O-CB 3.27Å; L222-N226 WeakPolarHBondContact O-CB 3.34Å; L222-N226 PolarHBondContact O-N 2.64Å; L222-L240 HydrophobicContact CB-CD1 3.91Å; L222-E243 HydrophobicContact CD1-CG 3.93Å; L222-E243 VanDerWaalsContact CD2-CD 3.49Å; L222-E243 HydrophobicContact CD2-CG 4.41Å; L222-E243 WeakPolarHBondContact CD2-OE1 3.27Å; L222-I244 HydrophobicContact CD1-CG1 4.08Å
223	I	85.5	Confident	77.2	Confident	19 Å²	19	70 Å²	70	10%	0.097	40%	0.398	C	S	.	.	H	α-helix	trans	-64.2	-39.9	178.7	-67.7	165.8	0	0	0	111.3	C219 E220 K227 L240 I244 Y282 V286	C219-I223 VanDerWaalsContact O-CG1 3.28Å; C219-I223 WeakPolarHBondContact O-CG1 3.26Å; C219-I223 PolarHBondContact O-N 3.41Å; E220-I223 PolarHBondContact O-N 3.16Å; I223-K227 WeakPolarHBondContact O-CG 3.41Å; I223-K227 PolarHBondContact O-N 2.85Å; I223-L240 HydrophobicContact CG1-CD2 4.2Å; I223-I244 HydrophobicContact CG1-CD1 4.45Å; I223-Y282 HydrophobicContact CD1-CD1 3.52Å; I223-Y282 HydrophobicContact CD1-CE1 4.19Å; I223-Y282 HydrophobicContact CD1-CG 4.42Å; I223-V286 HydrophobicContact CG1-CG2 4.43Å
224	T	85.5	Confident	76	Confident	77 Å²	77	74.5 Å²	74.5	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-72.1	-38.6	179	49.6	0	0	0	0	112.7	E220 L221 L222 K227 S228	E220-T224 WeakPolarHBondContact O-CB 3.49Å; E220-T224 VanDerWaalsContact O-CG2 3.29Å; E220-T224 WeakPolarHBondContact O-CG2 3.15Å; E220-T224 PolarHBondContact O-N 3.01Å; E220-T224 PolarHBondContact O-OG1 3.37Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 PolarHBondContact O-N 3.27Å; L221-T224 PolarHBondContact O-OG1 2.8Å; L222-T224 VanDerWaalsContact C-N 3.35Å; L222-T224 PolarHBondContact O-N 3.3Å; T224-K227 PolarHBondContact O-N 2.94Å; T224-S228 PolarHBondContact O-N 3.19Å
225	T	83.5	Confident	75.4	Confident	75 Å²	75	72.6 Å²	72.6	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-40.5	175.3	-54.6	0	0	0	0	111.1	L221 L222 K227 S228 S229	L221-T225 VanDerWaalsContact O-CB 3.3Å; L221-T225 WeakPolarHBondContact O-CB 3.4Å; L221-T225 PolarHBondContact O-N 2.92Å; L221-T225 PolarHBondContact O-OG1 2.87Å; L222-T225 PolarHBondContact O-N 3.21Å; T225-K227 VanDerWaalsContact C-N 3.3Å; T225-K227 PolarHBondContact O-N 3.4Å; T225-S228 PolarHBondContact O-N 3.36Å; T225-S228 PolarHBondContact O-OG 3.2Å; T225-S229 PolarHBondContact O-N 2.88Å; T225-S229 PolarHBondContact O-OG 3.32Å
226	N	79	Confident	74.9	Confident	30 Å²	30	74.7 Å²	74.7	16%	0.16	42%	0.418	C	S	.	.	H	α-helix	trans	-65.2	-33.8	177	-169.1	-56.4	0	0	0	112	L222 S228 S229 V236 L240	L222-N226 VanDerWaalsContact O-CB 3.27Å; L222-N226 WeakPolarHBondContact O-CB 3.34Å; L222-N226 PolarHBondContact O-N 2.64Å; N226-S228 VanDerWaalsContact C-N 3.31Å; N226-S228 PolarHBondContact O-N 3.46Å; N226-S229 WeakPolarHBondContact CA-OG 3.32Å; N226-S229 PolarHBondContact O-N 3.25Å; N226-S229 PolarHBondContact O-OG 2.97Å; N226-V236 WeakPolarHBondContact ND2-CG1 3.2Å; N226-V236 WeakPolarHBondContact OD1-CG1 3.42Å; N226-L240 HydrophobicContact CB-CD1 4.41Å; N226-L240 HydrophobicContact CB-CD2 4.29Å
227	K	71.1	Confident	74.5	Confident	119 Å²	119	74.4 Å²	74.4	52%	0.517	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-30	174.8	-76	174.2	-176.4	-180	0	113.8	I223 T224 T225	I223-K227 WeakPolarHBondContact O-CG 3.41Å; I223-K227 PolarHBondContact O-N 2.85Å; T224-K227 PolarHBondContact O-N 2.94Å; T225-K227 VanDerWaalsContact C-N 3.3Å; T225-K227 PolarHBondContact O-N 3.4Å
228	S	58.7	Low	74.5	Confident	91 Å²	91	71 Å²	71	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-87.6	-25.5	-179.8	58.6	0	0	0	0	112.8	T224 T225 N226 S230	T224-S228 PolarHBondContact O-N 3.19Å; T225-S228 PolarHBondContact O-N 3.36Å; T225-S228 PolarHBondContact O-OG 3.2Å; N226-S228 VanDerWaalsContact C-N 3.31Å; N226-S228 PolarHBondContact O-N 3.46Å; S228-S230 PolarHBondContact O-N 2.7Å; S228-S230 PolarHBondContact O-OG 3.25Å
229	S	55.5	Low	74.5	Confident	60 Å²	60	70.6 Å²	70.6	42%	0.42	40%	0.4	S	S	.	.			trans	-77.7	69.7	170.6	60.1	0	0	0	0	110.9	T225 N226 Q231	T225-S229 PolarHBondContact O-N 2.88Å; T225-S229 PolarHBondContact O-OG 3.32Å; N226-S229 WeakPolarHBondContact CA-OG 3.32Å; N226-S229 PolarHBondContact O-N 3.25Å; N226-S229 PolarHBondContact O-OG 2.97Å; S229-Q231 PolarHBondContact O-N 3.39Å
230	S	45.7	Very low	74.5	Confident	120 Å²	120	71 Å²	71	84%	0.839	40%	0.401	S	S	*	.			trans	-65.7	17.6	167.9	17.7	0	0	0	0	113.8	S228	S228-S230 PolarHBondContact O-N 2.7Å; S228-S230 PolarHBondContact O-OG 3.25Å
231	Q	45.1	Very low	74.7	Confident	165 Å²	165	66.1 Å²	66.1	77%	0.771	38%	0.379	S	S	*	.	S	Bend	trans	-79.8	131.6	173.5	-69.5	-170.4	-13.6	0	0	108.6	S229 S233	S229-Q231 PolarHBondContact O-N 3.39Å; Q231-S233 PolarHBondContact O-N 3.39Å
232	S	50.1	Low	74.8	Confident	122 Å²	122	63 Å²	63	85%	0.853	36%	0.364	S	S	*	.			trans	-62.8	51.9	-174.8	56.1	0	0	0	0	114.2	E234	S232-E234 PolarHBondContact O-N 2.65Å
233	S	53.8	Low	75.1	Confident	64 Å²	64	66.9 Å²	66.9	45%	0.448	38%	0.381	S	S	.	.			trans	-70.8	119.5	169.3	60.9	0	0	0	0	107.9	Q231 V236	Q231-S233 PolarHBondContact O-N 3.39Å; S233-V236 WeakPolarHBondContact O-CG2 3.45Å
234	E	65.7	Low	75.5	Confident	154 Å²	154	66 Å²	66	72%	0.72	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	144.2	166.4	-62.6	174.5	166.6	0	0	109.1	S232	S232-E234 PolarHBondContact O-N 2.65Å
235	F	76.1	Confident	76	Confident	46 Å²	46	62.6 Å²	62.6	20%	0.202	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	32.1	174.7	-45.8	-77.5	0	0	0	117	S237 A238 N239 P344 V347 E348	F235-S237 VanDerWaalsContact C-N 3.3Å; F235-S237 PolarHBondContact O-N 3.32Å; F235-A238 HydrophobicContact CB-CB 4.4Å; F235-A238 PolarHBondContact O-N 3.03Å; F235-N239 WeakPolarHBondContact O-CB 3.37Å; F235-N239 PolarHBondContact O-N 3.06Å; F235-N239 PolarHBondContact O-ND2 3.48Å; F235-P344 WeakPolarHBondContact CE1-O 3.49Å; F235-V347 HydrophobicContact CD1-CG1 4.47Å; F235-V347 HydrophobicContact CE1-CB 3.81Å; F235-V347 HydrophobicContact CE1-CG1 3.64Å; F235-V347 HydrophobicContact CZ-CB 4.25Å; F235-V347 HydrophobicContact CZ-CG1 3.92Å; F235-E348 VanDerWaalsContact C-OE1 3.23Å; F235-E348 WeakPolarHBondContact CA-OE1 3.44Å; F235-E348 HydrophobicContact CB-CG 4.31Å; F235-E348 HydrophobicContact CD1-CB 3.53Å; F235-E348 HydrophobicContact CD1-CG 3.84Å; F235-E348 HydrophobicContact CE1-CB 4Å
236	V	82	Confident	76.5	Confident	45 Å²	45	65.1 Å²	65.1	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-52	-44	-178.1	-173.4	0	0	0	0	113.3	N226 S233 L240 E348	N226-V236 WeakPolarHBondContact ND2-CG1 3.2Å; N226-V236 WeakPolarHBondContact OD1-CG1 3.42Å; S233-V236 WeakPolarHBondContact O-CG2 3.45Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 PolarHBondContact O-N 3.17Å; V236-L240 VanDerWaalsContact O-N 3.13Å; V236-E348 PolarHBondContact N-OE1 3.21Å
237	S	85.4	Confident	77.2	Confident	11 Å²	11	65.6 Å²	65.6	8%	0.077	36%	0.363	C	S	.	.	H	α-helix	trans	-76.5	-40.7	-173	-53.6	0	0	0	0	110.9	F235 L240 I241 E348	F235-S237 VanDerWaalsContact C-N 3.3Å; F235-S237 PolarHBondContact O-N 3.32Å; S237-L240 PolarHBondContact O-N 3.49Å; S237-I241 WeakPolarHBondContact O-CG1 3.33Å; S237-I241 PolarHBondContact O-N 3.44Å; S237-E348 WeakPolarHBondContact CB-OE1 3.34Å; S237-E348 PolarHBondContact N-OE1 3.45Å
238	A	90.7	Very high	78.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-47.2	174.9	0	0	0	0	0	111.6	F235 L240 I241 T242 E348 Q351 I352	F235-A238 HydrophobicContact CB-CB 4.4Å; F235-A238 PolarHBondContact O-N 3.03Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.48Å; A238-I241 PolarHBondContact O-N 2.84Å; A238-T242 PolarHBondContact O-N 2.69Å; A238-T242 PolarHBondContact O-OG1 3.47Å; A238-T242 VanDerWaalsContact O-OG1 3.06Å; A238-E348 HydrophobicContact CB-CG 3.74Å; A238-E348 PolarHBondContact N-OE1 3.39Å; A238-Q351 HydrophobicContact CB-CB 3.96Å; A238-Q351 HydrophobicContact CB-CG 3.89Å; A238-I352 HydrophobicContact CB-CG1 3.81Å
239	N	91	Very high	80	Confident	73 Å²	73	56.6 Å²	56.6	39%	0.39	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-41.2	179.3	-67.5	-22.5	0	0	0	112	F235 T242 E243 Q351	F235-N239 WeakPolarHBondContact O-CB 3.37Å; F235-N239 PolarHBondContact O-N 3.06Å; F235-N239 PolarHBondContact O-ND2 3.48Å; N239-T242 PolarHBondContact O-N 2.92Å; N239-E243 PolarHBondContact O-N 3.08Å; N239-Q351 PolarHBondContact OD1-NE2 3.36Å
240	L	91.6	Very high	81.8	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-42.1	177.1	-178.3	59.9	0	0	0	112.3	L222 I223 N226 V236 S237 A238 E243 I244 V286	L222-L240 HydrophobicContact CB-CD1 3.91Å; I223-L240 HydrophobicContact CG1-CD2 4.2Å; N226-L240 HydrophobicContact CB-CD1 4.41Å; N226-L240 HydrophobicContact CB-CD2 4.29Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 PolarHBondContact O-N 3.17Å; V236-L240 VanDerWaalsContact O-N 3.13Å; S237-L240 PolarHBondContact O-N 3.49Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.48Å; L240-E243 PolarHBondContact O-N 2.93Å; L240-I244 HydrophobicContact CD1-CD1 4.05Å; L240-I244 HydrophobicContact CD1-CG1 4.39Å; L240-I244 HydrophobicContact CG-CD1 3.96Å; L240-I244 WeakPolarHBondContact O-CB 3.46Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 VanDerWaalsContact O-CG1 3.23Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 2.99Å; L240-V286 HydrophobicContact CB-CG1 4.49Å; L240-V286 HydrophobicContact CD2-CG1 3.99Å; L240-V286 HydrophobicContact CD2-CG2 3.67Å; L240-V286 HydrophobicContact CG-CG1 4.42Å; L240-V286 HydrophobicContact CG-CG2 4.15Å
241	I	93.8	Very high	84	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-43	176.2	-72	173	0	0	0	110.2	S237 A238 I244 L245 V283 V286 V287 I352	S237-I241 WeakPolarHBondContact O-CG1 3.33Å; S237-I241 PolarHBondContact O-N 3.44Å; A238-I241 PolarHBondContact O-N 2.84Å; I241-I244 PolarHBondContact O-N 3.12Å; I241-L245 HydrophobicContact CG2-CD1 3.67Å; I241-L245 HydrophobicContact CG2-CG 4.12Å; I241-L245 WeakPolarHBondContact O-CB 3.33Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 3.43Å; I241-V283 HydrophobicContact CD1-CG1 4.22Å; I241-V286 HydrophobicContact CD1-CB 4.13Å; I241-V286 HydrophobicContact CD1-CG1 3.84Å; I241-V286 HydrophobicContact CG1-CB 3.94Å; I241-V286 HydrophobicContact CG1-CG1 3.66Å; I241-V287 HydrophobicContact CD1-CG2 3.84Å; I241-I352 HydrophobicContact CD1-CB 4.47Å; I241-I352 HydrophobicContact CD1-CD1 4.31Å; I241-I352 HydrophobicContact CD1-CG1 4.08Å; I241-I352 HydrophobicContact CD1-CG2 3.62Å
242	T	93.6	Very high	86.3	Confident	29 Å²	29	44.6 Å²	44.6	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-50.4	175.2	-60.1	0	0	0	0	111.6	A238 N239 I244 L245 E246 C355	A238-T242 PolarHBondContact O-N 2.69Å; A238-T242 PolarHBondContact O-OG1 3.47Å; A238-T242 VanDerWaalsContact O-OG1 3.06Å; N239-T242 PolarHBondContact O-N 2.92Å; T242-I244 VanDerWaalsContact C-N 3.32Å; T242-I244 PolarHBondContact O-N 3.41Å; T242-L245 PolarHBondContact O-N 2.7Å; T242-E246 HydrophobicContact CG2-CG 4.15Å; T242-E246 WeakPolarHBondContact CG2-OE1 3.48Å; T242-E246 WeakPolarHBondContact O-CB 3.48Å; T242-E246 WeakPolarHBondContact O-CG 3.33Å; T242-E246 PolarHBondContact O-N 3.06Å; T242-C355 VanDerWaalsContact CA-SG 3.56Å
243	E	93.2	Very high	88.2	Confident	97 Å²	97	43.3 Å²	43.3	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-41.3	179.8	-168.5	-179.7	-177.9	0	0	112	L222 N239 L240 F247	L222-E243 HydrophobicContact CD1-CG 3.93Å; L222-E243 VanDerWaalsContact CD2-CD 3.49Å; L222-E243 HydrophobicContact CD2-CG 4.41Å; L222-E243 WeakPolarHBondContact CD2-OE1 3.27Å; N239-E243 PolarHBondContact O-N 3.08Å; L240-E243 PolarHBondContact O-N 2.93Å; E243-F247 WeakPolarHBondContact O-CB 3.17Å; E243-F247 PolarHBondContact O-N 2.97Å; E243-F247 VanDerWaalsContact O-N 3.07Å
244	I	94	Very high	89.9	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-50.5	176.3	-70.9	167.3	0	0	0	110.8	L222 I223 L240 I241 T242 F247 V248 V286	L222-I244 HydrophobicContact CD1-CG1 4.08Å; I223-I244 HydrophobicContact CG1-CD1 4.45Å; L240-I244 HydrophobicContact CD1-CD1 4.05Å; L240-I244 HydrophobicContact CD1-CG1 4.39Å; L240-I244 HydrophobicContact CG-CD1 3.96Å; L240-I244 WeakPolarHBondContact O-CB 3.46Å; L240-I244 WeakPolarHBondContact O-CD1 3.43Å; L240-I244 VanDerWaalsContact O-CG1 3.23Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 2.99Å; I241-I244 PolarHBondContact O-N 3.12Å; T242-I244 VanDerWaalsContact C-N 3.32Å; T242-I244 PolarHBondContact O-N 3.41Å; I244-F247 PolarHBondContact O-N 2.86Å; I244-V248 HydrophobicContact CG2-CG2 4.5Å; I244-V248 WeakPolarHBondContact O-CG2 3.49Å; I244-V248 PolarHBondContact O-N 3.27Å; I244-V286 HydrophobicContact CD1-CG2 4.23Å
245	L	95.5	Very high	90.9	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-38.4	-174.5	-69.9	-178.1	0	0	0	112.2	I241 T242 V248 A249 V279 V283 C355 Y359	I241-L245 HydrophobicContact CG2-CD1 3.67Å; I241-L245 HydrophobicContact CG2-CG 4.12Å; I241-L245 WeakPolarHBondContact O-CB 3.33Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 3.43Å; T242-L245 PolarHBondContact O-N 2.7Å; L245-V248 PolarHBondContact O-N 3.34Å; L245-A249 WeakPolarHBondContact O-CB 3.33Å; L245-A249 PolarHBondContact O-N 3.18Å; L245-V279 HydrophobicContact CD2-CG1 3.43Å; L245-V279 VanDerWaalsContact CD2-CG1 3.43Å; L245-V283 HydrophobicContact CD2-CG2 4Å; L245-V283 HydrophobicContact CG-CG2 4.48Å; L245-C355 HydrophobicContact CD1-CB 4.48Å; L245-Y359 HydrophobicContact CB-CD2 4.35Å; L245-Y359 HydrophobicContact CB-CG 4.49Å; L245-Y359 HydrophobicContact CD1-CG 4.44Å; L245-Y359 HydrophobicContact CD2-CD1 3.93Å; L245-Y359 HydrophobicContact CD2-CD2 3.91Å; L245-Y359 HydrophobicContact CD2-CE1 4.21Å; L245-Y359 HydrophobicContact CD2-CE2 4.18Å; L245-Y359 HydrophobicContact CD2-CG 3.76Å; L245-Y359 HydrophobicContact CG-CG 4.46Å
246	E	94.8	Very high	91.3	Very high	129 Å²	129	35.1 Å²	35.1	60%	0.603	18%	0.181	S	C	*	.	H	α-helix	trans	-64.3	-46	174.3	-73.9	-177	173.3	0	0	111.4	T242 V248 A249 D250	T242-E246 HydrophobicContact CG2-CG 4.15Å; T242-E246 WeakPolarHBondContact CG2-OE1 3.48Å; T242-E246 WeakPolarHBondContact O-CB 3.48Å; T242-E246 WeakPolarHBondContact O-CG 3.33Å; T242-E246 PolarHBondContact O-N 3.06Å; E246-V248 VanDerWaalsContact C-N 3.33Å; E246-V248 PolarHBondContact O-N 3.12Å; E246-A249 PolarHBondContact O-N 3.38Å; E246-D250 WeakPolarHBondContact O-CB 3.44Å; E246-D250 PolarHBondContact O-N 3.46Å
247	F	94.2	Very high	91.5	Very high	39 Å²	39	37 Å²	37	17%	0.171	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-44	176.1	168.8	-104.5	0	0	0	111.8	Y214 I215 K218 E243 I244 T251	Y214-F247 HydrophobicContact CD1-CZ 4.14Å; Y214-F247 HydrophobicContact CE1-CE2 4.11Å; Y214-F247 AromaticContact CE1-CZ 3.56Å; Y214-F247 HydrophobicContact CE1-CZ 3.56Å; I215-F247 HydrophobicContact CB-CE1 4.41Å; I215-F247 HydrophobicContact CG1-CE1 4.11Å; I215-F247 HydrophobicContact CG2-CE1 4.44Å; K218-F247 HydrophobicContact CB-CD1 4.37Å; K218-F247 HydrophobicContact CB-CE1 3.6Å; K218-F247 HydrophobicContact CB-CZ 3.71Å; K218-F247 HydrophobicContact CG-CD1 3.97Å; K218-F247 HydrophobicContact CG-CD2 4.34Å; K218-F247 HydrophobicContact CG-CE1 3.59Å; K218-F247 HydrophobicContact CG-CE2 3.99Å; K218-F247 HydrophobicContact CG-CG 4.32Å; K218-F247 HydrophobicContact CG-CZ 3.6Å; E243-F247 WeakPolarHBondContact O-CB 3.17Å; E243-F247 PolarHBondContact O-N 2.97Å; E243-F247 VanDerWaalsContact O-N 3.07Å; I244-F247 PolarHBondContact O-N 2.86Å; F247-T251 VanDerWaalsContact O-CB 3.29Å; F247-T251 WeakPolarHBondContact O-CB 3.46Å; F247-T251 PolarHBondContact O-N 2.79Å; F247-T251 PolarHBondContact O-OG1 3.25Å
248	V	94.4	Very high	91.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-41.2	177.1	175.5	0	0	0	0	110.9	I215 I244 L245 E246 T251 L252 V275 V279 Y359	I215-V248 HydrophobicContact CD1-CG1 4.37Å; I215-V248 HydrophobicContact CG2-CG2 3.66Å; I244-V248 HydrophobicContact CG2-CG2 4.5Å; I244-V248 WeakPolarHBondContact O-CG2 3.49Å; I244-V248 PolarHBondContact O-N 3.27Å; L245-V248 PolarHBondContact O-N 3.34Å; E246-V248 VanDerWaalsContact C-N 3.33Å; E246-V248 PolarHBondContact O-N 3.12Å; V248-T251 PolarHBondContact O-N 3Å; V248-L252 HydrophobicContact CG1-CD1 3.91Å; V248-L252 HydrophobicContact CG1-CG 4.23Å; V248-L252 VanDerWaalsContact O-CB 3.28Å; V248-L252 WeakPolarHBondContact O-CB 3.5Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 2.98Å; V248-V275 HydrophobicContact CG1-CG1 3.66Å; V248-V279 HydrophobicContact CB-CG2 4.17Å; V248-V279 HydrophobicContact CG1-CG2 3.67Å; V248-V279 HydrophobicContact CG2-CG2 3.91Å; V248-Y359 HydrophobicContact CB-CE2 4.4Å; V248-Y359 HydrophobicContact CG1-CE2 3.96Å
249	A	93.6	Very high	91.2	Very high	21 Å²	21	41.1 Å²	41.1	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-42.2	178.2	0	0	0	0	0	111.8	L245 E246 K253 F362	L245-A249 WeakPolarHBondContact O-CB 3.33Å; L245-A249 PolarHBondContact O-N 3.18Å; E246-A249 PolarHBondContact O-N 3.38Å; A249-K253 WeakPolarHBondContact O-CB 3.06Å; A249-K253 PolarHBondContact O-N 2.89Å; A249-F362 HydrophobicContact CB-CD1 4.02Å; A249-F362 HydrophobicContact CB-CE1 3.86Å
250	D	94	Very high	90.8	Very high	80 Å²	80	41 Å²	41	43%	0.428	20%	0.199	S	C	.	.	H	α-helix	trans	-68.8	-43.5	176.5	-168.8	51.8	0	0	0	111.7	E246 L252 K253 N254	E246-D250 WeakPolarHBondContact O-CB 3.44Å; E246-D250 PolarHBondContact O-N 3.46Å; D250-L252 PolarHBondContact O-N 2.91Å; D250-K253 WeakPolarHBondContact O-CB 3.32Å; D250-K253 PolarHBondContact O-N 3.32Å; D250-K253 VanDerWaalsContact O-N 3.09Å; D250-N254 VanDerWaalsContact O-CG 3.31Å; D250-N254 PolarHBondContact O-N 3.24Å; D250-N254 PolarHBondContact O-ND2 3.37Å; D250-N254 PolarHBondContact OD1-ND2 3.5Å; D250-N254 PolarHBondContact OD2-ND2 2.88Å
251	T	91.5	Very high	90.4	Very high	10 Å²	10	45.5 Å²	45.5	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-47.6	174.7	-58.5	0	0	0	0	110.8	L211 Y214 I215 F247 V248 K253 N255	L211-T251 HydrophobicContact CD2-CG2 4.17Å; Y214-T251 HydrophobicContact CD1-CG2 4.36Å; Y214-T251 HydrophobicContact CE1-CG2 4.41Å; I215-T251 HydrophobicContact CD1-CG2 4.08Å; I215-T251 HydrophobicContact CG1-CG2 4.12Å; F247-T251 VanDerWaalsContact O-CB 3.29Å; F247-T251 WeakPolarHBondContact O-CB 3.46Å; F247-T251 PolarHBondContact O-N 2.79Å; F247-T251 PolarHBondContact O-OG1 3.25Å; V248-T251 PolarHBondContact O-N 3Å; T251-K253 VanDerWaalsContact C-N 3.31Å; T251-K253 PolarHBondContact O-N 2.9Å; T251-N255 VanDerWaalsContact O-CB 3.3Å; T251-N255 WeakPolarHBondContact O-CB 3.23Å; T251-N255 PolarHBondContact O-N 3.13Å; T251-N255 PolarHBondContact O-ND2 3.2Å
252	L	92.4	Very high	89.7	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-40.3	174.8	-79.5	176	0	0	0	111.1	V248 D250 S256 L271 V272 V275 I363	V248-L252 HydrophobicContact CG1-CD1 3.91Å; V248-L252 HydrophobicContact CG1-CG 4.23Å; V248-L252 VanDerWaalsContact O-CB 3.28Å; V248-L252 WeakPolarHBondContact O-CB 3.5Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 2.98Å; D250-L252 PolarHBondContact O-N 2.91Å; L252-S256 WeakPolarHBondContact O-CB 3.46Å; L252-S256 PolarHBondContact O-N 3.28Å; L252-S256 PolarHBondContact O-OG 3.32Å; L252-L271 HydrophobicContact CD2-CG 4.4Å; L252-V272 HydrophobicContact CD2-CG2 4.16Å; L252-V275 HydrophobicContact CD1-CG1 3.94Å; L252-V275 HydrophobicContact CD2-CB 3.91Å; L252-V275 HydrophobicContact CD2-CG1 3.86Å; L252-V275 HydrophobicContact CD2-CG2 3.89Å; L252-V275 HydrophobicContact CG-CG1 3.93Å; L252-I363 HydrophobicContact CD1-CD1 3.82Å; L252-I363 HydrophobicContact CD1-CG1 4.37Å
253	K	90.9	Very high	89	Confident	95 Å²	95	48.2 Å²	48.2	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-46.8	-179.2	172.2	-180	178.3	-167.9	0	112.5	A249 D250 T251 S256 M257 F362 R366	A249-K253 WeakPolarHBondContact O-CB 3.06Å; A249-K253 PolarHBondContact O-N 2.89Å; D250-K253 WeakPolarHBondContact O-CB 3.32Å; D250-K253 PolarHBondContact O-N 3.32Å; D250-K253 VanDerWaalsContact O-N 3.09Å; T251-K253 VanDerWaalsContact C-N 3.31Å; T251-K253 PolarHBondContact O-N 2.9Å; K253-S256 PolarHBondContact O-OG 3.39Å; K253-M257 HydrophobicContact CG-CE 4.23Å; K253-M257 WeakPolarHBondContact O-CG 3.39Å; K253-F362 HydrophobicContact CB-CZ 4.2Å; K253-R366 PolarHBondContact O-NH2 3.17Å
254	N	89.2	Confident	88.3	Confident	65 Å²	65	44.6 Å²	44.6	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-72.1	-42.9	-178.1	-62.6	-28.5	0	0	0	110.6	D250 M257	D250-N254 VanDerWaalsContact O-CG 3.31Å; D250-N254 PolarHBondContact O-N 3.24Å; D250-N254 PolarHBondContact O-ND2 3.37Å; D250-N254 PolarHBondContact OD1-ND2 3.5Å; D250-N254 PolarHBondContact OD2-ND2 2.88Å; N254-M257 WeakPolarHBondContact O-CB 3.15Å; N254-M257 PolarHBondContact O-N 3.2Å
255	N	86.9	Confident	87.6	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.139	24%	0.242	C	C	.	.	H	α-helix	trans	-78.1	-29.9	-175.9	-71.7	-77.3	0	0	0	114.1	F207 L211 T251 M257 Y258 V259	F207-N255 HydrophobicContact CE1-CB 4.09Å; F207-N255 HydrophobicContact CZ-CB 3.96Å; F207-N255 WeakPolarHBondContact CZ-OD1 3.2Å; L211-N255 HydrophobicContact CD1-CB 3.76Å; L211-N255 HydrophobicContact CD2-CB 4.33Å; T251-N255 VanDerWaalsContact O-CB 3.3Å; T251-N255 WeakPolarHBondContact O-CB 3.23Å; T251-N255 PolarHBondContact O-N 3.13Å; T251-N255 PolarHBondContact O-ND2 3.2Å; N255-M257 VanDerWaalsContact C-N 3.27Å; N255-M257 PolarHBondContact O-N 2.83Å; N255-Y258 PolarHBondContact O-N 3.36Å; N255-V259 PolarHBondContact O-N 3.21Å
256	S	85.3	Confident	86.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-26.4	174.1	52.6	0	0	0	0	112.7	L252 K253 Y258 V259 E260 R366	L252-S256 WeakPolarHBondContact O-CB 3.46Å; L252-S256 PolarHBondContact O-N 3.28Å; L252-S256 PolarHBondContact O-OG 3.32Å; K253-S256 PolarHBondContact O-OG 3.39Å; S256-Y258 VanDerWaalsContact C-N 3.27Å; S256-Y258 PolarHBondContact O-N 2.79Å; S256-V259 PolarHBondContact O-N 3.5Å; S256-V259 VanDerWaalsContact O-N 3.16Å; S256-E260 WeakPolarHBondContact O-CB 3.28Å; S256-E260 WeakPolarHBondContact O-CG 3.47Å; S256-E260 PolarHBondContact O-N 2.95Å; S256-R366 PolarHBondContact OG-NE 3.18Å; S256-R366 PolarHBondContact OG-NH2 2.53Å
257	M	86.4	Confident	86.2	Confident	85 Å²	85	43.6 Å²	43.6	42%	0.419	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-37.6	171.7	-67.5	176.8	-177.5	0	0	111.9	K253 N254 N255 T261	K253-M257 HydrophobicContact CG-CE 4.23Å; K253-M257 WeakPolarHBondContact O-CG 3.39Å; N254-M257 WeakPolarHBondContact O-CB 3.15Å; N254-M257 PolarHBondContact O-N 3.2Å; N255-M257 VanDerWaalsContact C-N 3.27Å; N255-M257 PolarHBondContact O-N 2.83Å; M257-T261 VanDerWaalsContact O-CB 3.31Å; M257-T261 WeakPolarHBondContact O-CB 3.31Å; M257-T261 PolarHBondContact O-N 3.42Å; M257-T261 PolarHBondContact O-OG1 3.46Å
258	Y	84.6	Confident	85.9	Confident	98 Å²	98	41.8 Å²	41.8	38%	0.384	22%	0.222	S	C	.	.	H	α-helix	trans	-68.1	-40.2	175.1	-57.7	-53.7	0	0	0	111.7	V188 N255 S256 T261 Y262	V188-Y258 HydrophobicContact CG1-CD1 3.79Å; V188-Y258 HydrophobicContact CG1-CD2 4.29Å; V188-Y258 HydrophobicContact CG1-CE1 4.31Å; V188-Y258 HydrophobicContact CG1-CG 3.8Å; V188-Y258 HydrophobicContact CG2-CD2 3.82Å; V188-Y258 HydrophobicContact CG2-CE2 4.07Å; V188-Y258 HydrophobicContact CG2-CG 4.18Å; N255-Y258 PolarHBondContact O-N 3.36Å; S256-Y258 VanDerWaalsContact C-N 3.27Å; S256-Y258 PolarHBondContact O-N 2.79Å; Y258-T261 PolarHBondContact O-N 3.36Å; Y258-Y262 HydrophobicContact CD1-CE2 4.14Å; Y258-Y262 WeakPolarHBondContact O-CB 3.5Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.15Å; Y258-Y262 PolarHBondContact O-N 2.87Å
259	V	84.3	Confident	85.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-43.8	176.8	-178.7	0	0	0	0	111	L191 F207 N255 S256 T261 C263 G264 N267 L271	L191-V259 HydrophobicContact CD2-CG2 4.15Å; F207-V259 HydrophobicContact CD1-CG2 4.22Å; F207-V259 HydrophobicContact CE1-CG2 4.03Å; N255-V259 PolarHBondContact O-N 3.21Å; S256-V259 PolarHBondContact O-N 3.5Å; S256-V259 VanDerWaalsContact O-N 3.16Å; V259-T261 VanDerWaalsContact C-N 3.34Å; V259-T261 PolarHBondContact O-N 3.43Å; V259-C263 HydrophobicContact CG1-CB 4.09Å; V259-C263 WeakPolarHBondContact O-CA 3.43Å; V259-C263 VanDerWaalsContact O-CB 3.28Å; V259-C263 WeakPolarHBondContact O-CB 3.47Å; V259-C263 PolarHBondContact O-N 3.41Å; V259-G264 PolarHBondContact O-N 3.3Å; V259-N267 HydrophobicContact CG1-CB 3.95Å; V259-L271 HydrophobicContact CG2-CD2 3.84Å
260	E	82.8	Confident	85.2	Confident	70 Å²	70	43.9 Å²	43.9	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-44.6	174.7	-73.6	167.9	-159.1	0	0	111.3	S256 G264 I268 R366	S256-E260 WeakPolarHBondContact O-CB 3.28Å; S256-E260 WeakPolarHBondContact O-CG 3.47Å; S256-E260 PolarHBondContact O-N 2.95Å; E260-G264 PolarHBondContact O-N 3.42Å; E260-I268 HydrophobicContact CG-CD1 3.43Å; E260-I268 VanDerWaalsContact CG-CD1 3.43Å; E260-I268 HydrophobicContact CG-CG1 4.09Å; E260-I268 WeakPolarHBondContact OE1-CD1 3.32Å; E260-R366 IonicContact OE1-NE 3.25Å; E260-R366 IonicContact OE1-NH2 3.99Å
261	T	83	Confident	85	Confident	103 Å²	103	40.1 Å²	40.1	63%	0.632	22%	0.217	S	C	*	.	H	α-helix	trans	-70.5	-42.9	-176.9	-56.3	0	0	0	0	112.8	M257 Y258 V259	M257-T261 VanDerWaalsContact O-CB 3.31Å; M257-T261 WeakPolarHBondContact O-CB 3.31Å; M257-T261 PolarHBondContact O-N 3.42Å; M257-T261 PolarHBondContact O-OG1 3.46Å; Y258-T261 PolarHBondContact O-N 3.36Å; V259-T261 VanDerWaalsContact C-N 3.34Å; V259-T261 PolarHBondContact O-N 3.43Å
262	Y	80	Confident	85	Confident	78 Å²	78	39.9 Å²	39.9	31%	0.306	22%	0.216	S	C	.	.	H	α-helix	trans	-100.4	-34.8	-171.1	-62.1	-58.1	0	0	0	114.1	V188 K192 F195 Y258	V188-Y262 HydrophobicContact CG1-CD2 4.24Å; V188-Y262 HydrophobicContact CG1-CE2 3.6Å; K192-Y262 HydrophobicContact CB-CD1 3.94Å; K192-Y262 HydrophobicContact CB-CE1 4.35Å; K192-Y262 HydrophobicContact CB-CG 4.18Å; K192-Y262 HydrophobicContact CD-CD1 4.2Å; K192-Y262 HydrophobicContact CD-CE1 4.11Å; K192-Y262 HydrophobicContact CG-CD1 3.99Å; K192-Y262 HydrophobicContact CG-CE1 4.38Å; F195-Y262 WeakPolarHBondContact CD1-O 3.31Å; F195-Y262 WeakPolarHBondContact CD2-O 3.46Å; F195-Y262 WeakPolarHBondContact CG-O 3.36Å; Y258-Y262 HydrophobicContact CD1-CE2 4.14Å; Y258-Y262 WeakPolarHBondContact O-CB 3.5Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.15Å; Y258-Y262 PolarHBondContact O-N 2.87Å
263	C	77.5	Confident	84.9	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.047	22%	0.22	C	C	.	.	H	α-helix	trans	-99.3	-11.7	-176.9	-56.2	0	0	0	0	112.9	T200 I204 V259 N267	T200-C263 HydrophobicContact CG2-CB 3.82Å; I204-C263 HydrophobicContact CD1-CB 4.45Å; V259-C263 HydrophobicContact CG1-CB 4.09Å; V259-C263 WeakPolarHBondContact O-CA 3.43Å; V259-C263 VanDerWaalsContact O-CB 3.28Å; V259-C263 WeakPolarHBondContact O-CB 3.47Å; V259-C263 PolarHBondContact O-N 3.41Å; C263-N267 HydrophobicContact CB-CB 4.33Å; C263-N267 PolarHBondContact O-ND2 3.37Å
264	G	78.2	Confident	84.9	Confident	21 Å²	21	38.3 Å²	38.3	22%	0.216	22%	0.217	C	C	.	.			trans	76.4	175.2	-176.2	0	0	0	0	0	114	V259 E260	V259-G264 PolarHBondContact O-N 3.3Å; E260-G264 PolarHBondContact O-N 3.42Å
265	P	79.4	Confident	85.1	Confident	57 Å²	57	35.2 Å²	35.2	37%	0.37	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	146.3	-172	29.4	-35.4	0	0	0	112.5	D370 Q373 C374	P265-D370 VanDerWaalsContact CA-OD1 3.31Å; P265-D370 WeakPolarHBondContact CA-OD1 3.28Å; P265-Q373 HydrophobicContact CB-CB 3.94Å; P265-Q373 HydrophobicContact CB-CG 4.01Å; P265-Q373 HydrophobicContact CG-CG 4.31Å; P265-C374 PolarHBondContact O-SG 3.39Å
266	G	79.8	Confident	85.4	Confident	14 Å²	14	34 Å²	34	14%	0.144	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	101	-2.2	174.5	0	0	0	0	0	114.9	D370 C374	G266-D370 VanDerWaalsContact C-OD2 3.28Å; G266-D370 WeakPolarHBondContact CA-OD2 3.49Å; G266-D370 PolarHBondContact N-OD1 2.73Å; G266-D370 PolarHBondContact N-OD2 2.75Å; G266-C374 WeakPolarHBondContact CA-SG 3.39Å; G266-C374 PolarHBondContact N-SG 3.02Å
267	N	82.3	Confident	85.7	Confident	43 Å²	43	36.9 Å²	36.9	23%	0.23	21%	0.214	C	C	.	.			trans	-98.4	-10.6	-175.9	-75.7	-35	0	0	0	112.9	I204 V259 C263 F269 G270 D370	I204-N267 HydrophobicContact CD1-CB 3.6Å; V259-N267 HydrophobicContact CG1-CB 3.95Å; C263-N267 HydrophobicContact CB-CB 4.33Å; C263-N267 PolarHBondContact O-ND2 3.37Å; N267-F269 VanDerWaalsContact C-N 3.29Å; N267-F269 PolarHBondContact O-N 3.39Å; N267-G270 PolarHBondContact O-N 2.59Å; N267-D370 PolarHBondContact N-OD2 3.24Å
268	I	87.1	Confident	86	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-35.4	-178.4	-58.6	-179.3	0	0	0	111	E260 G270 L271 V272 D370	E260-I268 HydrophobicContact CG-CD1 3.43Å; E260-I268 VanDerWaalsContact CG-CD1 3.43Å; E260-I268 HydrophobicContact CG-CG1 4.09Å; E260-I268 WeakPolarHBondContact OE1-CD1 3.32Å; I268-G270 VanDerWaalsContact C-N 3.27Å; I268-G270 PolarHBondContact O-N 3.32Å; I268-L271 PolarHBondContact O-N 3.23Å; I268-L271 VanDerWaalsContact O-N 3.16Å; I268-V272 HydrophobicContact CG2-CG2 3.56Å; I268-V272 WeakPolarHBondContact O-CB 3.48Å; I268-V272 WeakPolarHBondContact O-CG2 3.46Å; I268-V272 PolarHBondContact O-N 2.76Å; I268-D370 HydrophobicContact CB-CB 4.26Å; I268-D370 VanDerWaalsContact CB-OD2 3.3Å; I268-D370 WeakPolarHBondContact CB-OD2 3.21Å; I268-D370 HydrophobicContact CD1-CB 3.65Å; I268-D370 VanDerWaalsContact CD1-CG 3.44Å; I268-D370 HydrophobicContact CG1-CB 4.16Å; I268-D370 VanDerWaalsContact CG1-CG 3.47Å; I268-D370 WeakPolarHBondContact CG1-OD2 3.41Å; I268-D370 PolarHBondContact N-OD2 2.89Å; I268-D370 VanDerWaalsContact N-OD2 3.15Å
269	F	88.1	Confident	86.4	Confident	30 Å²	30	28.6 Å²	28.6	13%	0.132	18%	0.178	C	C	.	.	H	α-helix	trans	-56.2	-40.1	-179.6	178	-112.5	0	0	0	112.7	N267 S273 I367 K387 I388 F391	N267-F269 VanDerWaalsContact C-N 3.29Å; N267-F269 PolarHBondContact O-N 3.39Å; F269-S273 VanDerWaalsContact CE2-OG 3.25Å; F269-S273 WeakPolarHBondContact CE2-OG 3.23Å; F269-S273 WeakPolarHBondContact CZ-OG 3.29Å; F269-S273 VanDerWaalsContact O-CB 3.27Å; F269-S273 WeakPolarHBondContact O-CB 3.3Å; F269-S273 PolarHBondContact O-N 3.08Å; F269-S273 PolarHBondContact O-OG 2.93Å; F269-I367 HydrophobicContact CB-CG2 4.34Å; F269-I367 HydrophobicContact CD2-CD1 4.03Å; F269-I367 HydrophobicContact CD2-CG1 4.48Å; F269-I367 HydrophobicContact CD2-CG2 4.1Å; F269-K387 HydrophobicContact CE1-CD 4.13Å; F269-K387 HydrophobicContact CE1-CG 4.26Å; F269-I388 HydrophobicContact CD1-CG1 4.47Å; F269-I388 HydrophobicContact CD2-CD1 4.33Å; F269-I388 HydrophobicContact CD2-CG1 3.59Å; F269-I388 HydrophobicContact CE1-CG1 4.37Å; F269-I388 HydrophobicContact CE2-CB 4.22Å; F269-I388 HydrophobicContact CE2-CG1 3.47Å; F269-I388 VanDerWaalsContact CE2-CG1 3.47Å; F269-I388 HydrophobicContact CE2-CG2 4.39Å; F269-I388 HydrophobicContact CG-CG1 4.1Å; F269-I388 HydrophobicContact CZ-CG1 3.88Å; F269-F391 HydrophobicContact CE2-CB 4.13Å; F269-F391 HydrophobicContact CE2-CD1 4.17Å; F269-F391 HydrophobicContact CE2-CG 4.1Å; F269-F391 HydrophobicContact CZ-CB 3.95Å; F269-F391 HydrophobicContact CZ-CG 4.13Å
270	G	85.6	Confident	86.9	Confident	36 Å²	36	29.5 Å²	29.5	37%	0.371	18%	0.183	S	C	.	.	H	α-helix	trans	-65.7	-41.9	178.8	0	0	0	0	0	112.8	N267 I268 S274	N267-G270 PolarHBondContact O-N 2.59Å; I268-G270 VanDerWaalsContact C-N 3.27Å; I268-G270 PolarHBondContact O-N 3.32Å; G270-S274 PolarHBondContact O-OG 2.87Å
271	L	88.9	Confident	87.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-51.4	175.3	171.1	61.2	0	0	0	111.1	I204 F207 L211 L252 V259 I268 S273 S274 V275	I204-L271 HydrophobicContact CG2-CB 4.44Å; F207-L271 HydrophobicContact CD1-CD1 4.33Å; F207-L271 HydrophobicContact CE1-CD2 4.33Å; L211-L271 HydrophobicContact CD1-CD1 3.59Å; L211-L271 HydrophobicContact CD1-CD2 4.27Å; L252-L271 HydrophobicContact CD2-CG 4.4Å; V259-L271 HydrophobicContact CG2-CD2 3.84Å; I268-L271 PolarHBondContact O-N 3.23Å; I268-L271 VanDerWaalsContact O-N 3.16Å; L271-S273 PolarHBondContact O-N 3.34Å; L271-S274 PolarHBondContact O-N 2.79Å; L271-V275 HydrophobicContact CD1-CG2 4.18Å; L271-V275 WeakPolarHBondContact O-CG2 3.24Å; L271-V275 PolarHBondContact O-N 3.05Å; L271-V275 VanDerWaalsContact O-N 3.17Å
272	V	91.6	Very high	87.8	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-39.9	-175.6	169.7	0	0	0	0	111.7	L252 I268 S274 V275 H276 I363 I367	L252-V272 HydrophobicContact CD2-CG2 4.16Å; I268-V272 HydrophobicContact CG2-CG2 3.56Å; I268-V272 WeakPolarHBondContact O-CB 3.48Å; I268-V272 WeakPolarHBondContact O-CG2 3.46Å; I268-V272 PolarHBondContact O-N 2.76Å; V272-S274 VanDerWaalsContact C-N 3.3Å; V272-S274 PolarHBondContact O-N 2.77Å; V272-V275 PolarHBondContact O-N 2.64Å; V272-H276 WeakPolarHBondContact O-CB 3.36Å; V272-H276 PolarHBondContact O-N 3.45Å; V272-I363 HydrophobicContact CG1-CD1 4.07Å; V272-I363 HydrophobicContact CG1-CG1 4.47Å; V272-I363 HydrophobicContact CG1-CG2 3.38Å; V272-I367 HydrophobicContact CB-CD1 4.42Å; V272-I367 HydrophobicContact CG1-CD1 3.85Å; V272-I367 HydrophobicContact CG1-CG1 4.34Å
273	S	91.3	Very high	88.4	Confident	17 Å²	17	25.6 Å²	25.6	12%	0.119	15%	0.153	C	C	.	.	H	α-helix	trans	-58.8	-43.5	-179.9	-61.5	0	0	0	0	111.8	F269 L271 C277	F269-S273 VanDerWaalsContact CE2-OG 3.25Å; F269-S273 WeakPolarHBondContact CE2-OG 3.23Å; F269-S273 WeakPolarHBondContact CZ-OG 3.29Å; F269-S273 VanDerWaalsContact O-CB 3.27Å; F269-S273 WeakPolarHBondContact O-CB 3.3Å; F269-S273 PolarHBondContact O-N 3.08Å; F269-S273 PolarHBondContact O-OG 2.93Å; L271-S273 PolarHBondContact O-N 3.34Å; S273-C277 PolarHBondContact O-N 3.22Å; S273-C277 VanDerWaalsContact O-N 3.14Å; S273-C277 PolarHBondContact O-SG 3.27Å
274	S	90.2	Very high	89.1	Confident	50 Å²	50	28.9 Å²	28.9	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-69.1	-41.9	178.8	-58.7	0	0	0	0	112.3	S208 G270 L271 V272 C277	S208-S274 WeakPolarHBondContact OG-CB 3.37Å; S208-S274 PolarHBondContact OG-OG 2.93Å; G270-S274 PolarHBondContact O-OG 2.87Å; L271-S274 PolarHBondContact O-N 2.79Å; V272-S274 VanDerWaalsContact C-N 3.3Å; V272-S274 PolarHBondContact O-N 2.77Å; S274-C277 WeakPolarHBondContact O-CB 3.35Å; S274-C277 PolarHBondContact O-N 3.01Å
275	V	93	Very high	89.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-39.4	176.6	172.6	0	0	0	0	111.1	L211 I215 V248 L252 L271 V272 C277 V278 V279	L211-V275 HydrophobicContact CB-CG2 4.5Å; I215-V275 HydrophobicContact CD1-CB 4.48Å; I215-V275 HydrophobicContact CD1-CG1 3.49Å; I215-V275 VanDerWaalsContact CD1-CG1 3.49Å; I215-V275 HydrophobicContact CD1-CG2 4.19Å; V248-V275 HydrophobicContact CG1-CG1 3.66Å; L252-V275 HydrophobicContact CD1-CG1 3.94Å; L252-V275 HydrophobicContact CD2-CB 3.91Å; L252-V275 HydrophobicContact CD2-CG1 3.86Å; L252-V275 HydrophobicContact CD2-CG2 3.89Å; L252-V275 HydrophobicContact CG-CG1 3.93Å; L271-V275 HydrophobicContact CD1-CG2 4.18Å; L271-V275 WeakPolarHBondContact O-CG2 3.24Å; L271-V275 PolarHBondContact O-N 3.05Å; L271-V275 VanDerWaalsContact O-N 3.17Å; V272-V275 PolarHBondContact O-N 2.64Å; V275-C277 VanDerWaalsContact C-N 3.29Å; V275-C277 PolarHBondContact O-N 3.15Å; V275-V278 WeakPolarHBondContact O-CA 3.3Å; V275-V278 VanDerWaalsContact O-CB 3.29Å; V275-V278 WeakPolarHBondContact O-CB 3.43Å; V275-V278 PolarHBondContact O-N 2.99Å; V275-V279 PolarHBondContact O-N 3.28Å; V275-V279 VanDerWaalsContact O-N 3.11Å
276	H	93.9	Very high	90.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-36.8	176.2	-177.1	84.1	0	0	0	111.6	V272 V278 V279 D280 Y359 F391 S395	V272-H276 WeakPolarHBondContact O-CB 3.36Å; V272-H276 PolarHBondContact O-N 3.45Å; H276-V278 PolarHBondContact O-N 3.42Å; H276-V279 WeakPolarHBondContact O-CB 3.14Å; H276-V279 PolarHBondContact O-N 3.05Å; H276-V279 VanDerWaalsContact O-N 3.12Å; H276-D280 IonicContact CD2-OD1 3.65Å; H276-D280 IonicContact CD2-OD2 2.93Å; H276-D280 IonicContact CE1-OD1 3.5Å; H276-D280 IonicContact NE2-OD1 2.74Å; H276-D280 PolarHBondContact NE2-OD1 3.12Å; H276-D280 IonicContact NE2-OD2 2.92Å; H276-D280 PolarHBondContact NE2-OD2 3.45Å; H276-D280 PolarHBondContact O-N 3.14Å; H276-Y359 AromaticContact ND1-CE1 3.67Å; H276-F391 HydrophobicContact CB-CE1 4.13Å; H276-F391 HydrophobicContact CB-CZ 3.89Å; H276-F391 AromaticContact CD2-CE1 3.79Å; H276-F391 AromaticContact CD2-CZ 3.61Å; H276-F391 AromaticContact CG-CE1 3.89Å; H276-F391 AromaticContact CG-CZ 3.9Å; H276-S395 PolarHBondContact CE1-OG 3.1Å; H276-S395 PolarHBondContact NE2-OG 3.43Å
277	C	92.4	Very high	90.9	Very high	61 Å²	61	27.6 Å²	27.6	41%	0.412	15%	0.153	S	C	.	.	H	α-helix	trans	-61.6	-29.3	172.6	-66.4	0	0	0	0	113.2	S273 S274 V275 R281	S273-C277 PolarHBondContact O-N 3.22Å; S273-C277 VanDerWaalsContact O-N 3.14Å; S273-C277 PolarHBondContact O-SG 3.27Å; S274-C277 WeakPolarHBondContact O-CB 3.35Å; S274-C277 PolarHBondContact O-N 3.01Å; V275-C277 VanDerWaalsContact C-N 3.29Å; V275-C277 PolarHBondContact O-N 3.15Å; C277-R281 PolarHBondContact O-N 3.2Å
278	V	92.4	Very high	91.3	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-73.5	-42	174.4	-179.8	0	0	0	0	110.2	C212 I215 S216 V275 H276 R281 Y282	C212-V278 HydrophobicContact CB-CG2 3.69Å; I215-V278 HydrophobicContact CG2-CG1 4.07Å; S216-V278 WeakPolarHBondContact OG-CG1 3.14Å; V275-V278 WeakPolarHBondContact O-CA 3.3Å; V275-V278 VanDerWaalsContact O-CB 3.29Å; V275-V278 WeakPolarHBondContact O-CB 3.43Å; V275-V278 PolarHBondContact O-N 2.99Å; H276-V278 PolarHBondContact O-N 3.42Å; V278-R281 WeakPolarHBondContact O-CB 3.32Å; V278-R281 PolarHBondContact O-N 2.88Å; V278-Y282 HydrophobicContact CG1-CD2 3.65Å; V278-Y282 HydrophobicContact CG1-CE2 3.47Å; V278-Y282 VanDerWaalsContact CG1-CE2 3.47Å; V278-Y282 VanDerWaalsContact O-CD2 3.24Å; V278-Y282 WeakPolarHBondContact O-CD2 3.34Å; V278-Y282 PolarHBondContact O-N 3.38Å; V278-Y282 VanDerWaalsContact O-N 3.15Å
279	V	93.3	Very high	91.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-47.4	174.8	176.3	0	0	0	0	111.5	L245 V248 V275 H276 R281 Y282 V283 Y359 L397	L245-V279 HydrophobicContact CD2-CG1 3.43Å; L245-V279 VanDerWaalsContact CD2-CG1 3.43Å; V248-V279 HydrophobicContact CB-CG2 4.17Å; V248-V279 HydrophobicContact CG1-CG2 3.67Å; V248-V279 HydrophobicContact CG2-CG2 3.91Å; V275-V279 PolarHBondContact O-N 3.28Å; V275-V279 VanDerWaalsContact O-N 3.11Å; H276-V279 WeakPolarHBondContact O-CB 3.14Å; H276-V279 PolarHBondContact O-N 3.05Å; H276-V279 VanDerWaalsContact O-N 3.12Å; V279-R281 PolarHBondContact O-N 3.31Å; V279-R281 VanDerWaalsContact O-N 3.15Å; V279-Y282 PolarHBondContact O-N 2.89Å; V279-Y282 VanDerWaalsContact O-N 3.14Å; V279-V283 HydrophobicContact CG1-CG2 3.64Å; V279-V283 WeakPolarHBondContact O-CB 3.31Å; V279-V283 WeakPolarHBondContact O-CG2 3.43Å; V279-V283 PolarHBondContact O-N 2.92Å; V279-Y359 HydrophobicContact CG1-CE1 3.93Å; V279-Y359 VanDerWaalsContact CG2-OH 3.27Å; V279-Y359 WeakPolarHBondContact CG2-OH 3.17Å; V279-L397 HydrophobicContact CG1-CD2 4.24Å
280	D	94	Very high	91.5	Very high	19 Å²	19	35 Å²	35	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-50.1	-41.1	175.3	-85.9	-4.9	0	0	0	111.6	H276 K284 S395 Q396 L397	H276-D280 IonicContact CD2-OD1 3.65Å; H276-D280 IonicContact CD2-OD2 2.93Å; H276-D280 IonicContact CE1-OD1 3.5Å; H276-D280 IonicContact NE2-OD1 2.74Å; H276-D280 PolarHBondContact NE2-OD1 3.12Å; H276-D280 IonicContact NE2-OD2 2.92Å; H276-D280 PolarHBondContact NE2-OD2 3.45Å; H276-D280 PolarHBondContact O-N 3.14Å; D280-K284 WeakPolarHBondContact O-CB 3.4Å; D280-K284 PolarHBondContact O-N 3.16Å; D280-S395 PolarHBondContact OD1-OG 3.24Å; D280-Q396 HydrophobicContact CB-CB 3.92Å; D280-Q396 PolarHBondContact OD2-N 3.46Å; D280-Q396 VanDerWaalsContact OD2-N 3.11Å; D280-L397 WeakPolarHBondContact OD1-CB 3.41Å; D280-L397 PolarHBondContact OD1-N 3.3Å
281	R	92.5	Very high	91.7	Very high	147 Å²	147	34.7 Å²	34.7	56%	0.555	17%	0.169	S	C	*	.	H	α-helix	trans	-70.1	-48	179.4	-171.7	-175.1	-57.8	124.4	6.4	112.7	C277 V278 V279 C285	C277-R281 PolarHBondContact O-N 3.2Å; V278-R281 WeakPolarHBondContact O-CB 3.32Å; V278-R281 PolarHBondContact O-N 2.88Å; V279-R281 PolarHBondContact O-N 3.31Å; V279-R281 VanDerWaalsContact O-N 3.15Å; R281-C285 PolarHBondContact O-N 3.38Å
282	Y	92.3	Very high	91.5	Very high	21 Å²	21	37.9 Å²	37.9	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-76.7	-41.8	-174.6	-73.5	-65.9	0	0	0	112.6	S216 C219 E220 I223 V278 V279 K284 C285 V286	S216-Y282 WeakPolarHBondContact CA-OH 3.33Å; S216-Y282 VanDerWaalsContact CB-OH 3.27Å; S216-Y282 WeakPolarHBondContact CB-OH 3.41Å; S216-Y282 PolarHBondContact O-OH 3.32Å; C219-Y282 HydrophobicContact CB-CD1 3.92Å; C219-Y282 HydrophobicContact CB-CD2 3.69Å; C219-Y282 HydrophobicContact CB-CE1 4.03Å; C219-Y282 HydrophobicContact CB-CE2 3.81Å; C219-Y282 HydrophobicContact CB-CG 3.76Å; E220-Y282 HydrophobicContact CG-CE1 3.95Å; E220-Y282 WeakPolarHBondContact CG-OH 3.47Å; E220-Y282 PolarHBondContact OE1-OH 3.44Å; I223-Y282 HydrophobicContact CD1-CD1 3.52Å; I223-Y282 HydrophobicContact CD1-CE1 4.19Å; I223-Y282 HydrophobicContact CD1-CG 4.42Å; V278-Y282 HydrophobicContact CG1-CD2 3.65Å; V278-Y282 HydrophobicContact CG1-CE2 3.47Å; V278-Y282 VanDerWaalsContact CG1-CE2 3.47Å; V278-Y282 VanDerWaalsContact O-CD2 3.24Å; V278-Y282 WeakPolarHBondContact O-CD2 3.34Å; V278-Y282 PolarHBondContact O-N 3.38Å; V278-Y282 VanDerWaalsContact O-N 3.15Å; V279-Y282 PolarHBondContact O-N 2.89Å; V279-Y282 VanDerWaalsContact O-N 3.14Å; Y282-K284 VanDerWaalsContact C-N 3.26Å; Y282-K284 PolarHBondContact O-N 2.92Å; Y282-C285 WeakPolarHBondContact O-CB 3.48Å; Y282-C285 PolarHBondContact O-N 3.22Å; Y282-C285 VanDerWaalsContact O-N 3.16Å; Y282-V286 WeakPolarHBondContact O-CG2 3.34Å; Y282-V286 PolarHBondContact O-N 2.82Å; Y282-V286 VanDerWaalsContact O-N 3.11Å
283	V	92.9	Very high	91.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-40.6	175.2	178.4	0	0	0	0	109.8	I241 L245 V279 C285 V286 V287 L397	I241-V283 HydrophobicContact CD1-CG1 4.22Å; L245-V283 HydrophobicContact CD2-CG2 4Å; L245-V283 HydrophobicContact CG-CG2 4.48Å; V279-V283 HydrophobicContact CG1-CG2 3.64Å; V279-V283 WeakPolarHBondContact O-CB 3.31Å; V279-V283 WeakPolarHBondContact O-CG2 3.43Å; V279-V283 PolarHBondContact O-N 2.92Å; V283-C285 PolarHBondContact O-N 3.3Å; V283-V286 PolarHBondContact O-N 3.44Å; V283-V286 VanDerWaalsContact O-N 3.14Å; V283-V287 HydrophobicContact CG1-CG2 3.94Å; V283-V287 WeakPolarHBondContact O-CB 3.31Å; V283-V287 VanDerWaalsContact O-CG2 3.32Å; V283-V287 WeakPolarHBondContact O-CG2 3.43Å; V283-V287 PolarHBondContact O-N 3.4Å; V283-L397 HydrophobicContact CB-CD1 4.1Å; V283-L397 HydrophobicContact CG1-CD1 3.56Å; V283-L397 HydrophobicContact CG2-CD1 4.38Å
284	K	92.5	Very high	90.9	Very high	76 Å²	76	46.8 Å²	46.8	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-54.9	-48.7	172.5	174.1	165.9	-178	179.9	0	113.4	D280 Y282 V286 V287 E288 Q396	D280-K284 WeakPolarHBondContact O-CB 3.4Å; D280-K284 PolarHBondContact O-N 3.16Å; Y282-K284 VanDerWaalsContact C-N 3.26Å; Y282-K284 PolarHBondContact O-N 2.92Å; K284-V286 VanDerWaalsContact C-N 3.27Å; K284-V286 PolarHBondContact O-N 3.4Å; K284-V287 PolarHBondContact O-N 3.48Å; K284-E288 WeakPolarHBondContact CE-OE1 3.48Å; K284-E288 HydrophobicContact CG-CG 4.27Å; K284-E288 IonicContact NZ-OE1 3.65Å; K284-E288 WeakPolarHBondContact O-CB 3.5Å; K284-E288 WeakPolarHBondContact O-CG 3.49Å; K284-E288 PolarHBondContact O-N 2.84Å; K284-Q396 HydrophobicContact CD-CG 4.18Å
285	C	91.6	Very high	90.6	Very high	62 Å²	62	49.6 Å²	49.6	42%	0.419	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-40.5	178.5	-176.4	0	0	0	0	112	R281 Y282 V283 R289	R281-C285 PolarHBondContact O-N 3.38Å; Y282-C285 WeakPolarHBondContact O-CB 3.48Å; Y282-C285 PolarHBondContact O-N 3.22Å; Y282-C285 VanDerWaalsContact O-N 3.16Å; V283-C285 PolarHBondContact O-N 3.3Å; C285-R289 WeakPolarHBondContact O-CB 3.4Å; C285-R289 PolarHBondContact O-N 3.04Å
286	V	91.5	Very high	90.1	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-73.4	-41.3	178.9	-175.8	0	0	0	0	111.8	I223 L240 I241 I244 Y282 V283 K284 R289 F290	I223-V286 HydrophobicContact CG1-CG2 4.43Å; L240-V286 HydrophobicContact CB-CG1 4.49Å; L240-V286 HydrophobicContact CD2-CG1 3.99Å; L240-V286 HydrophobicContact CD2-CG2 3.67Å; L240-V286 HydrophobicContact CG-CG1 4.42Å; L240-V286 HydrophobicContact CG-CG2 4.15Å; I241-V286 HydrophobicContact CD1-CB 4.13Å; I241-V286 HydrophobicContact CD1-CG1 3.84Å; I241-V286 HydrophobicContact CG1-CB 3.94Å; I241-V286 HydrophobicContact CG1-CG1 3.66Å; I244-V286 HydrophobicContact CD1-CG2 4.23Å; Y282-V286 WeakPolarHBondContact O-CG2 3.34Å; Y282-V286 PolarHBondContact O-N 2.82Å; Y282-V286 VanDerWaalsContact O-N 3.11Å; V283-V286 PolarHBondContact O-N 3.44Å; V283-V286 VanDerWaalsContact O-N 3.14Å; K284-V286 VanDerWaalsContact C-N 3.27Å; K284-V286 PolarHBondContact O-N 3.4Å; V286-R289 WeakPolarHBondContact O-CB 3.48Å; V286-R289 PolarHBondContact O-N 2.94Å; V286-F290 WeakPolarHBondContact O-CB 3.46Å; V286-F290 PolarHBondContact O-N 2.98Å
287	V	92.1	Very high	89.6	Confident	1 Å²	1	54 Å²	54	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-42	177.6	172.8	0	0	0	0	111.6	I241 V283 K284 R289 F290 Y291 I352 L404	I241-V287 HydrophobicContact CD1-CG2 3.84Å; V283-V287 HydrophobicContact CG1-CG2 3.94Å; V283-V287 WeakPolarHBondContact O-CB 3.31Å; V283-V287 VanDerWaalsContact O-CG2 3.32Å; V283-V287 WeakPolarHBondContact O-CG2 3.43Å; V283-V287 PolarHBondContact O-N 3.4Å; K284-V287 PolarHBondContact O-N 3.48Å; V287-R289 VanDerWaalsContact C-N 3.3Å; V287-R289 PolarHBondContact O-N 3.47Å; V287-F290 WeakPolarHBondContact O-CB 3.29Å; V287-F290 PolarHBondContact O-N 3.17Å; V287-F290 VanDerWaalsContact O-N 3.16Å; V287-Y291 HydrophobicContact CG1-CD1 4.24Å; V287-Y291 HydrophobicContact CG1-CD2 4.37Å; V287-Y291 HydrophobicContact CG1-CE1 3.73Å; V287-Y291 HydrophobicContact CG1-CE2 3.84Å; V287-Y291 VanDerWaalsContact CG1-CZ 3.48Å; V287-Y291 WeakPolarHBondContact O-CD1 3.28Å; V287-Y291 PolarHBondContact O-N 3.32Å; V287-I352 HydrophobicContact CG2-CG2 4.47Å; V287-L404 HydrophobicContact CG1-CD1 4.42Å; V287-L404 HydrophobicContact CG1-CD2 4.41Å; V287-L404 HydrophobicContact CG1-CG 4.5Å; V287-L404 HydrophobicContact CG2-CD1 4.3Å
288	E	90.6	Very high	89.1	Confident	101 Å²	101	56.7 Å²	56.7	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-38.2	175.2	-73.9	175.6	166.7	0	0	111.7	K284 Y291 A292	K284-E288 WeakPolarHBondContact CE-OE1 3.48Å; K284-E288 HydrophobicContact CG-CG 4.27Å; K284-E288 IonicContact NZ-OE1 3.65Å; K284-E288 WeakPolarHBondContact O-CB 3.5Å; K284-E288 WeakPolarHBondContact O-CG 3.49Å; K284-E288 PolarHBondContact O-N 2.84Å; E288-Y291 PolarHBondContact O-N 3.32Å; E288-A292 WeakPolarHBondContact O-CB 3.46Å; E288-A292 PolarHBondContact O-N 2.93Å
289	R	88.4	Confident	88.6	Confident	127 Å²	127	58.7 Å²	58.7	48%	0.479	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-41	173	-178.6	-178.7	174.4	96.1	-4.4	111.7	C285 V286 V287 A292 Y293	C285-R289 WeakPolarHBondContact O-CB 3.4Å; C285-R289 PolarHBondContact O-N 3.04Å; V286-R289 WeakPolarHBondContact O-CB 3.48Å; V286-R289 PolarHBondContact O-N 2.94Å; V287-R289 VanDerWaalsContact C-N 3.3Å; V287-R289 PolarHBondContact O-N 3.47Å; R289-A292 PolarHBondContact O-N 3.4Å; R289-Y293 WeakPolarHBondContact O-CB 3.44Å; R289-Y293 PolarHBondContact O-N 3.43Å
290	F	90.3	Very high	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175.4	173.9	-107.7	0	0	0	111.5	V286 V287 A292 Y293 H294 L296 I345 E348 T349 I352 L404	V286-F290 WeakPolarHBondContact O-CB 3.46Å; V286-F290 PolarHBondContact O-N 2.98Å; V287-F290 WeakPolarHBondContact O-CB 3.29Å; V287-F290 PolarHBondContact O-N 3.17Å; V287-F290 VanDerWaalsContact O-N 3.16Å; F290-A292 PolarHBondContact O-N 2.95Å; F290-Y293 PolarHBondContact O-N 3.37Å; F290-H294 AromaticContact CD2-CD2 3.44Å; F290-H294 VanDerWaalsContact CD2-CD2 3.44Å; F290-H294 WeakPolarHBondContact CD2-CD2 3.21Å; F290-H294 AromaticContact CD2-NE2 3.82Å; F290-H294 AromaticContact CE2-CD2 3.18Å; F290-H294 WeakPolarHBondContact CE2-CD2 3.39Å; F290-H294 AromaticContact CE2-NE2 3.42Å; F290-H294 WeakPolarHBondContact CE2-NE2 3.15Å; F290-H294 AromaticContact CZ-CD2 3.88Å; F290-H294 PolarHBondContact O-N 3.49Å; F290-L296 HydrophobicContact CD1-CD1 3.63Å; F290-L296 HydrophobicContact CE1-CD1 3.23Å; F290-L296 HydrophobicContact CZ-CD1 3.93Å; F290-I345 HydrophobicContact CZ-CG2 4.47Å; F290-E348 HydrophobicContact CD2-CG 4.4Å; F290-E348 HydrophobicContact CE2-CB 4.02Å; F290-E348 VanDerWaalsContact CE2-CD 3.46Å; F290-E348 HydrophobicContact CE2-CG 3.71Å; F290-E348 WeakPolarHBondContact CE2-OE2 3.21Å; F290-E348 HydrophobicContact CZ-CB 4.34Å; F290-E348 HydrophobicContact CZ-CG 4.38Å; F290-T349 WeakPolarHBondContact CZ-OG1 3.18Å; F290-I352 HydrophobicContact CD1-CD1 4.01Å; F290-I352 HydrophobicContact CD2-CD1 4.14Å; F290-I352 HydrophobicContact CE1-CD1 4.07Å; F290-I352 HydrophobicContact CE2-CD1 4.21Å; F290-I352 HydrophobicContact CG-CD1 4.05Å; F290-I352 HydrophobicContact CZ-CD1 4.2Å; F290-L404 HydrophobicContact CD1-CD2 4.48Å; F290-L404 HydrophobicContact CE1-CD2 4.32Å
291	Y	89.3	Confident	87.6	Confident	29 Å²	29	60.6 Å²	60.6	11%	0.114	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-44.2	175.5	-68.7	-5.9	0	0	0	112.3	V287 E288 H295 L296 D403 L404 K407	V287-Y291 HydrophobicContact CG1-CD1 4.24Å; V287-Y291 HydrophobicContact CG1-CD2 4.37Å; V287-Y291 HydrophobicContact CG1-CE1 3.73Å; V287-Y291 HydrophobicContact CG1-CE2 3.84Å; V287-Y291 VanDerWaalsContact CG1-CZ 3.48Å; V287-Y291 WeakPolarHBondContact O-CD1 3.28Å; V287-Y291 PolarHBondContact O-N 3.32Å; E288-Y291 PolarHBondContact O-N 3.32Å; Y291-H295 WeakPolarHBondContact O-CA 3.35Å; Y291-H295 PolarHBondContact O-N 2.84Å; Y291-L296 HydrophobicContact CD1-CB 4.44Å; Y291-L296 HydrophobicContact CD1-CD1 3.45Å; Y291-L296 VanDerWaalsContact CD1-CD1 3.45Å; Y291-L296 HydrophobicContact CD1-CG 4.4Å; Y291-L296 HydrophobicContact CE1-CD1 3.87Å; Y291-L296 HydrophobicContact CG-CD1 4.49Å; Y291-L296 PolarHBondContact O-N 3.2Å; Y291-D403 PolarHBondContact OH-OD2 2.89Å; Y291-L404 HydrophobicContact CE1-CD2 3.57Å; Y291-L404 HydrophobicContact CE1-CG 4.43Å; Y291-L404 WeakPolarHBondContact OH-CD2 3.44Å; Y291-L404 WeakPolarHBondContact OH-CG 3.49Å; Y291-K407 HydrophobicContact CE1-CD 3.92Å
292	A	86.3	Confident	86.9	Confident	67 Å²	67	58.1 Å²	58.1	55%	0.554	29%	0.286	S	S	*	.	H	α-helix	trans	-67.6	-39.6	178.9	0	0	0	0	0	112.5	E288 R289 F290	E288-A292 WeakPolarHBondContact O-CB 3.46Å; E288-A292 PolarHBondContact O-N 2.93Å; R289-A292 PolarHBondContact O-N 3.4Å; F290-A292 PolarHBondContact O-N 2.95Å
293	Y	85.5	Confident	86.3	Confident	175 Å²	175	57.5 Å²	57.5	69%	0.686	29%	0.285	S	S	*	.	H	α-helix	trans	-66.5	-42.4	-178	-178.1	-99.8	0	0	0	112.5	R289 F290	R289-Y293 WeakPolarHBondContact O-CB 3.44Å; R289-Y293 PolarHBondContact O-N 3.43Å; F290-Y293 PolarHBondContact O-N 3.37Å
294	H	84.1	Confident	85.5	Confident	35 Å²	35	63.1 Å²	63.1	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-95.8	3.2	-178.5	-67.3	-65.1	0	0	0	113.8	F290 L296 L299 I345 E348	F290-H294 AromaticContact CD2-CD2 3.44Å; F290-H294 VanDerWaalsContact CD2-CD2 3.44Å; F290-H294 WeakPolarHBondContact CD2-CD2 3.21Å; F290-H294 AromaticContact CD2-NE2 3.82Å; F290-H294 AromaticContact CE2-CD2 3.18Å; F290-H294 WeakPolarHBondContact CE2-CD2 3.39Å; F290-H294 AromaticContact CE2-NE2 3.42Å; F290-H294 WeakPolarHBondContact CE2-NE2 3.15Å; F290-H294 AromaticContact CZ-CD2 3.88Å; F290-H294 PolarHBondContact O-N 3.49Å; H294-L296 HydrophobicContact CB-CD2 3.66Å; H294-L296 HydrophobicContact CB-CG 3.82Å; H294-L296 PolarHBondContact O-N 3.39Å; H294-L296 VanDerWaalsContact O-N 3.17Å; H294-L299 WeakPolarHBondContact O-CD1 3.34Å; H294-I345 HydrophobicContact CB-CD1 4.27Å; H294-E348 IonicContact CE1-OE2 3.22Å; H294-E348 IonicContact NE2-OE2 2.69Å; H294-E348 PolarHBondContact NE2-OE2 2.67Å
295	H	82.9	Confident	84.6	Confident	108 Å²	108	66 Å²	66	50%	0.5	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	43.1	-174.5	-62.4	-87.2	0	0	0	112.7	Y291 D297 E298 L299	Y291-H295 WeakPolarHBondContact O-CA 3.35Å; Y291-H295 PolarHBondContact O-N 2.84Å; H295-D297 VanDerWaalsContact C-N 3.31Å; H295-D297 PolarHBondContact O-N 2.88Å; H295-E298 HydrophobicContact CB-CB 4.34Å; H295-E298 IonicContact ND1-OE1 2.78Å; H295-E298 IonicContact ND1-OE2 3.76Å; H295-E298 WeakPolarHBondContact O-CB 2.93Å; H295-E298 PolarHBondContact O-N 2.86Å; H295-E298 VanDerWaalsContact O-N 3.08Å; H295-L299 PolarHBondContact O-N 3.16Å
296	L	82.7	Confident	83.3	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-36.5	-165.9	-71.2	-179.4	0	0	0	114	F290 Y291 H294 L299 C300 I345 L411	F290-L296 HydrophobicContact CD1-CD1 3.63Å; F290-L296 HydrophobicContact CE1-CD1 3.23Å; F290-L296 HydrophobicContact CZ-CD1 3.93Å; Y291-L296 HydrophobicContact CD1-CB 4.44Å; Y291-L296 HydrophobicContact CD1-CD1 3.45Å; Y291-L296 VanDerWaalsContact CD1-CD1 3.45Å; Y291-L296 HydrophobicContact CD1-CG 4.4Å; Y291-L296 HydrophobicContact CE1-CD1 3.87Å; Y291-L296 HydrophobicContact CG-CD1 4.49Å; Y291-L296 PolarHBondContact O-N 3.2Å; H294-L296 HydrophobicContact CB-CD2 3.66Å; H294-L296 HydrophobicContact CB-CG 3.82Å; H294-L296 PolarHBondContact O-N 3.39Å; H294-L296 VanDerWaalsContact O-N 3.17Å; L296-L299 HydrophobicContact CD2-CD1 4.41Å; L296-L299 PolarHBondContact O-N 3.47Å; L296-C300 VanDerWaalsContact O-CB 3.32Å; L296-C300 WeakPolarHBondContact O-CB 3.3Å; L296-C300 PolarHBondContact O-N 3.06Å; L296-C300 PolarHBondContact O-SG 3.31Å; L296-I345 HydrophobicContact CD2-CG2 3.5Å; L296-L411 HydrophobicContact CD2-CD1 4.47Å
297	D	84.4	Confident	81.9	Confident	92 Å²	92	67 Å²	67	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-67	-40.4	178.6	-68.7	-42.6	0	0	0	111.3	H295 S301 K407	H295-D297 VanDerWaalsContact C-N 3.31Å; H295-D297 PolarHBondContact O-N 2.88Å; D297-S301 VanDerWaalsContact O-CB 3.28Å; D297-S301 WeakPolarHBondContact O-CB 3.46Å; D297-S301 PolarHBondContact O-N 2.98Å; D297-S301 PolarHBondContact O-OG 3.49Å; D297-K407 WeakPolarHBondContact OD1-CE 3.42Å; D297-K407 IonicContact OD1-NZ 3.84Å; D297-K407 PolarHBondContact OD1-NZ 3.42Å; D297-K407 VanDerWaalsContact OD1-NZ 3.15Å
298	E	82.1	Confident	80.1	Confident	118 Å²	118	69.9 Å²	69.9	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-65.3	-48.3	175.5	-64	177.6	-169.2	0	0	110.2	H295 C300 S301 M302	H295-E298 HydrophobicContact CB-CB 4.34Å; H295-E298 IonicContact ND1-OE1 2.78Å; H295-E298 IonicContact ND1-OE2 3.76Å; H295-E298 WeakPolarHBondContact O-CB 2.93Å; H295-E298 PolarHBondContact O-N 2.86Å; H295-E298 VanDerWaalsContact O-N 3.08Å; E298-C300 PolarHBondContact O-N 2.6Å; E298-S301 PolarHBondContact O-N 2.97Å; E298-S301 PolarHBondContact O-OG 2.91Å; E298-M302 VanDerWaalsContact O-CG 3.31Å; E298-M302 WeakPolarHBondContact O-CG 3.45Å; E298-M302 PolarHBondContact O-N 3.43Å
299	L	81.9	Confident	78.1	Confident	49 Å²	49	70.4 Å²	70.4	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-54.4	-55	174.2	-79.2	175.5	0	0	0	111.1	H294 H295 L296 S301 M302 L303 I345	H294-L299 WeakPolarHBondContact O-CD1 3.34Å; H295-L299 PolarHBondContact O-N 3.16Å; L296-L299 HydrophobicContact CD2-CD1 4.41Å; L296-L299 PolarHBondContact O-N 3.47Å; L299-S301 VanDerWaalsContact C-N 3.28Å; L299-S301 PolarHBondContact O-N 2.84Å; L299-M302 WeakPolarHBondContact O-CB 3.22Å; L299-M302 PolarHBondContact O-N 2.96Å; L299-M302 VanDerWaalsContact O-N 3.11Å; L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 3.11Å; L299-I345 HydrophobicContact CD1-CD1 4.17Å
300	C	83.8	Confident	76.2	Confident	8 Å²	8	66.9 Å²	66.9	5%	0.054	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-39.7	179.7	-71	0	0	0	0	112.2	L296 E298 L303 K304	L296-C300 VanDerWaalsContact O-CB 3.32Å; L296-C300 WeakPolarHBondContact O-CB 3.3Å; L296-C300 PolarHBondContact O-N 3.06Å; L296-C300 PolarHBondContact O-SG 3.31Å; E298-C300 PolarHBondContact O-N 2.6Å; C300-L303 PolarHBondContact O-N 2.98Å; C300-K304 WeakPolarHBondContact O-CG 3.44Å; C300-K304 PolarHBondContact O-N 2.94Å
301	S	82	Confident	73.7	Confident	52 Å²	52	72.9 Å²	72.9	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-38.9	177.5	81.1	0	0	0	0	112.4	D297 E298 L299 K305	D297-S301 VanDerWaalsContact O-CB 3.28Å; D297-S301 WeakPolarHBondContact O-CB 3.46Å; D297-S301 PolarHBondContact O-N 2.98Å; D297-S301 PolarHBondContact O-OG 3.49Å; E298-S301 PolarHBondContact O-N 2.97Å; E298-S301 PolarHBondContact O-OG 2.91Å; L299-S301 VanDerWaalsContact C-N 3.28Å; L299-S301 PolarHBondContact O-N 2.84Å; S301-K305 WeakPolarHBondContact O-CG 3.38Å; S301-K305 PolarHBondContact O-N 2.92Å
302	M	77.4	Confident	71.1	Confident	94 Å²	94	75.3 Å²	75.3	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-40.6	176.4	-72.4	179.7	61	0	0	111.5	E298 L299 K305 S306	E298-M302 VanDerWaalsContact O-CG 3.31Å; E298-M302 WeakPolarHBondContact O-CG 3.45Å; E298-M302 PolarHBondContact O-N 3.43Å; L299-M302 WeakPolarHBondContact O-CB 3.22Å; L299-M302 PolarHBondContact O-N 2.96Å; L299-M302 VanDerWaalsContact O-N 3.11Å; M302-K305 PolarHBondContact O-N 3.26Å; M302-S306 PolarHBondContact O-N 3.2Å
303	L	79.2	Confident	68.7	Low	9 Å²	9	76.8 Å²	76.8	5%	0.047	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-40.6	179.6	-62.4	167.9	0	0	0	111.6	L299 C300 K305 S306 N307 I342 L411 Y414	L299-L303 WeakPolarHBondContact O-CG 3.38Å; L299-L303 PolarHBondContact O-N 3.11Å; C300-L303 PolarHBondContact O-N 2.98Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 3.32Å; L303-S306 WeakPolarHBondContact O-CB 3.13Å; L303-S306 PolarHBondContact O-N 3.3Å; L303-S306 VanDerWaalsContact O-N 3.14Å; L303-N307 PolarHBondContact O-N 3.17Å; L303-I342 HydrophobicContact CD2-CD1 4.31Å; L303-L411 HydrophobicContact CD1-CD2 3.55Å; L303-Y414 HydrophobicContact CB-CD2 4.47Å; L303-Y414 HydrophobicContact CD2-CD1 3.5Å; L303-Y414 HydrophobicContact CD2-CD2 3.44Å; L303-Y414 VanDerWaalsContact CD2-CD2 3.44Å; L303-Y414 HydrophobicContact CD2-CE1 3.55Å; L303-Y414 HydrophobicContact CD2-CE2 3.47Å; L303-Y414 VanDerWaalsContact CD2-CE2 3.47Å; L303-Y414 HydrophobicContact CD2-CG 3.44Å; L303-Y414 VanDerWaalsContact CD2-CG 3.44Å; L303-Y414 HydrophobicContact CG-CD2 4.48Å; L303-Y414 HydrophobicContact CG-CG 4.4Å
304	K	77.2	Confident	66.6	Low	118 Å²	118	75.6 Å²	75.6	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-38.2	173.6	-72.9	178.1	-177	-178.4	0	112.6	C300 S308 N410	C300-K304 WeakPolarHBondContact O-CG 3.44Å; C300-K304 PolarHBondContact O-N 2.94Å; K304-S308 PolarHBondContact O-N 3.33Å; K304-S308 VanDerWaalsContact O-N 3.08Å; K304-S308 PolarHBondContact O-OG 2.95Å; K304-N410 WeakPolarHBondContact CE-OD1 3.32Å
305	K	74	Confident	64.1	Low	137 Å²	137	84.5 Å²	84.5	60%	0.596	44%	0.437	S	S	*	.	H	α-helix	trans	-66.7	-39.2	173.7	-69.6	174.8	-174.5	176.1	0	111.7	S301 M302 L303 S308 N309	S301-K305 WeakPolarHBondContact O-CG 3.38Å; S301-K305 PolarHBondContact O-N 2.92Å; M302-K305 PolarHBondContact O-N 3.26Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 3.32Å; K305-S308 WeakPolarHBondContact CA-OG 3.49Å; K305-S308 PolarHBondContact O-N 3.19Å; K305-S308 PolarHBondContact O-OG 3.27Å; K305-N309 WeakPolarHBondContact O-CB 3.43Å; K305-N309 VanDerWaalsContact O-CG 3.24Å; K305-N309 PolarHBondContact O-N 3.49Å
306	S	62.9	Low	61.7	Low	55 Å²	55	87.8 Å²	87.8	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-63.3	-45.6	176.1	-159.7	0	0	0	0	112	M302 L303 S308 N309 S310	M302-S306 PolarHBondContact O-N 3.2Å; L303-S306 WeakPolarHBondContact O-CB 3.13Å; L303-S306 PolarHBondContact O-N 3.3Å; L303-S306 VanDerWaalsContact O-N 3.14Å; S306-S308 PolarHBondContact O-N 3.24Å; S306-N309 PolarHBondContact O-N 3.48Å; S306-S310 PolarHBondContact O-N 3.46Å
307	N	62	Low	59.3	Low	30 Å²	30	94.3 Å²	94.3	16%	0.16	49%	0.487	C	S	.	.	H	α-helix	trans	-63.2	-42.8	177.6	-80.2	-5.5	0	0	0	112.3	L303 S310 L311	L303-N307 PolarHBondContact O-N 3.17Å; N307-S310 PolarHBondContact O-N 2.74Å; N307-L311 WeakPolarHBondContact O-CD1 3.49Å; N307-L311 PolarHBondContact O-N 2.93Å
308	S	55.4	Low	57.1	Low	63 Å²	63	95.8 Å²	95.8	44%	0.441	51%	0.505	S	S	.	.	H	α-helix	trans	-69.1	-35	179.4	50	0	0	0	0	113.8	K304 K305 S306 S310 L311 S312	K304-S308 PolarHBondContact O-N 3.33Å; K304-S308 VanDerWaalsContact O-N 3.08Å; K304-S308 PolarHBondContact O-OG 2.95Å; K305-S308 WeakPolarHBondContact CA-OG 3.49Å; K305-S308 PolarHBondContact O-N 3.19Å; K305-S308 PolarHBondContact O-OG 3.27Å; S306-S308 PolarHBondContact O-N 3.24Å; S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact O-N 2.91Å; S308-L311 PolarHBondContact O-N 3.4Å; S308-S312 PolarHBondContact O-N 3.11Å; S308-S312 PolarHBondContact O-OG 3.48Å
309	N	48.4	Very low	54.9	Low	112 Å²	112	95.4 Å²	95.4	60%	0.599	52%	0.516	S	S	*	.	H	α-helix	trans	-66.4	-34.5	174.1	-72.1	-7.9	0	0	0	111.8	K305 S306 S312	K305-N309 WeakPolarHBondContact O-CB 3.43Å; K305-N309 VanDerWaalsContact O-CG 3.24Å; K305-N309 PolarHBondContact O-N 3.49Å; S306-N309 PolarHBondContact O-N 3.48Å; N309-S312 PolarHBondContact O-OG 2.88Å
310	S	47.9	Very low	52.8	Low	52 Å²	52	97.6 Å²	97.6	36%	0.364	54%	0.541	S	S	.	.	H	α-helix	trans	-67.2	-35.6	174.8	-179.7	0	0	0	0	112.9	S306 N307 S308 R417	S306-S310 PolarHBondContact O-N 3.46Å; N307-S310 PolarHBondContact O-N 2.74Å; S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact O-N 2.91Å; S310-R417 PolarHBondContact OG-NH2 3.03Å
311	L	38.5	Very low	50.3	Low	127 Å²	127	105.8 Å²	105.8	67%	0.665	58%	0.578	S	S	*	*	H	α-helix	trans	-79.5	-34.1	179	-87.4	88.1	0	0	0	113.4	N307 S308 S313	N307-L311 WeakPolarHBondContact O-CD1 3.49Å; N307-L311 PolarHBondContact O-N 2.93Å; S308-L311 PolarHBondContact O-N 3.4Å; L311-S313 PolarHBondContact O-N 2.84Å
312	S	35	Very low	48.3	Very low	79 Å²	79	109.1 Å²	109.1	55%	0.552	60%	0.602	S	S	*	*	H	α-helix	trans	-73.9	-22.9	-175.8	49.8	0	0	0	0	114	S308 N309 K314	S308-S312 PolarHBondContact O-N 3.11Å; S308-S312 PolarHBondContact O-OG 3.48Å; N309-S312 PolarHBondContact O-OG 2.88Å; S312-K314 PolarHBondContact O-N 2.92Å
313	S	35.7	Very low	46.3	Very low	98 Å²	98	110.8 Å²	110.8	69%	0.685	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-6.5	-179.5	-166.2	0	0	0	0	114.9	L311	L311-S313 PolarHBondContact O-N 2.84Å
314	K	40.5	Very low	44.3	Very low	150 Å²	150	115.7 Å²	115.7	65%	0.652	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	8.5	-178.4	-83.5	-178.4	174.2	175.6	0	115	S312 D480	S312-K314 PolarHBondContact O-N 2.92Å; K314-D480 VanDerWaalsContact NZ-CG 3.35Å; K314-D480 IonicContact NZ-OD1 3.62Å; K314-D480 PolarHBondContact NZ-OD1 3.45Å; K314-D480 IonicContact NZ-OD2 3.4Å; K314-D480 PolarHBondContact NZ-OD2 3.35Å; K314-D480 VanDerWaalsContact NZ-OD2 3.12Å
315	R	32.5	Very low	42.2	Very low	223 Å²	223	120.6 Å²	120.6	84%	0.842	65%	0.653	S	S	*	*			trans	-109.7	7.8	-178.1	-78.2	-167.8	-179.7	177.1	1.6	117.6
316	H	32	Very low	40.2	Very low	176 Å²	176	119.9 Å²	119.9	82%	0.815	66%	0.655	S	S	*	*	S	Bend	trans	-112.9	105.7	172.6	-86.4	-64.7	0	0	0	113.1
317	D	32.2	Very low	39	Very low	138 Å²	138	124.9 Å²	124.9	74%	0.738	67%	0.67	S	S	*	*			trans	20	131.7	153.3	-71.1	-32.9	0	0	0	121.4	S319	D317-S319 PolarHBondContact O-N 3.28Å
318	S	39	Very low	37.9	Very low	124 Å²	124	128.2 Å²	128.2	87%	0.867	69%	0.687	S	S	*	*			trans	-28.3	96.1	154.3	40.6	0	0	0	0	115.3
319	S	36.2	Very low	36.9	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	69%	0.694	S	S	*	*			trans	-148.6	119	145.1	61.7	0	0	0	0	109.1	D317 Q321	D317-S319 PolarHBondContact O-N 3.28Å; S319-Q321 PolarHBondContact O-N 3.48Å
320	A	36.2	Very low	36.3	Very low	95 Å²	95	130.7 Å²	130.7	79%	0.785	70%	0.695	S	S	*	*			trans	-51.8	127.5	176.5	0	0	0	0	0	111.9
321	Q	33	Very low	36.2	Very low	179 Å²	179	131.3 Å²	131.3	84%	0.836	70%	0.699	S	S	*	*			trans	-172.8	131.4	143.6	-101.8	153.7	20.4	0	0	111.3	S319 I323	S319-Q321 PolarHBondContact O-N 3.48Å; Q321-I323 PolarHBondContact O-N 2.93Å; Q321-I323 VanDerWaalsContact O-N 3.11Å
322	S	38.5	Very low	36.4	Very low	123 Å²	123	127.2 Å²	127.2	86%	0.86	68%	0.681	S	S	*	*			trans	-83.9	54.4	-162.5	58.4	0	0	0	0	115
323	I	35.7	Very low	36.9	Very low	128 Å²	128	130.4 Å²	130.4	66%	0.656	69%	0.687	S	S	*	*			trans	-116.8	9.7	-175.6	-57.6	175.6	0	0	0	113.9	Q321	Q321-I323 PolarHBondContact O-N 2.93Å; Q321-I323 VanDerWaalsContact O-N 3.11Å
324	N	36.4	Very low	37.4	Very low	112 Å²	112	130.9 Å²	130.9	60%	0.599	68%	0.681	S	S	*	*			trans	-99.2	6.4	-172.9	-86.1	-13.1	0	0	0	117.4
325	R	34.5	Very low	38.3	Very low	222 Å²	222	123.9 Å²	123.9	84%	0.838	65%	0.651	S	S	*	*	H	α-helix	trans	-71.6	-36.2	173	-84.4	-173.8	173.4	-174.5	-4.3	112.6	K327 I328 L329	R325-K327 PolarHBondContact O-N 3.22Å; R325-I328 PolarHBondContact O-N 3.21Å; R325-L329 PolarHBondContact O-N 2.97Å
326	D	32.3	Very low	39.6	Very low	121 Å²	121	114.5 Å²	114.5	65%	0.647	62%	0.62	S	S	*	*	H	α-helix	trans	-71.9	-32.2	-173.4	-65.4	-19.4	0	0	0	113.5	I328 L329 D330	D326-I328 VanDerWaalsContact C-N 3.34Å; D326-I328 PolarHBondContact O-N 3.41Å; D326-L329 PolarHBondContact O-N 2.95Å; D326-D330 PolarHBondContact O-N 2.93Å
327	K	36.7	Very low	41.1	Very low	161 Å²	161	111.8 Å²	111.8	70%	0.7	61%	0.612	S	S	*	*	H	α-helix	trans	-72.3	-23.7	177.6	-78.7	-175.5	177	177.7	0	114.4	R325	R325-K327 PolarHBondContact O-N 3.22Å
328	I	39.9	Very low	43	Very low	100 Å²	100	110.3 Å²	110.3	51%	0.513	60%	0.596	S	S	.	*	H	α-helix	trans	-76.9	-34.5	175.8	-62.5	172.1	0	0	0	109.5	R325 D326 S331 S332 M421	R325-I328 PolarHBondContact O-N 3.21Å; D326-I328 VanDerWaalsContact C-N 3.34Å; D326-I328 PolarHBondContact O-N 3.41Å; I328-S331 PolarHBondContact O-N 2.69Å; I328-S331 PolarHBondContact O-OG 3.21Å; I328-S332 PolarHBondContact O-N 3.46Å; I328-M421 HydrophobicContact CG2-CE 4.38Å
329	L	34.4	Very low	44.9	Very low	114 Å²	114	105.1 Å²	105.1	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-67.2	-43.2	179.2	-136.1	79	0	0	0	112.5	R325 D326 S331 S332 E333	R325-L329 PolarHBondContact O-N 2.97Å; D326-L329 PolarHBondContact O-N 2.95Å; L329-S331 PolarHBondContact O-N 3.18Å; L329-S332 WeakPolarHBondContact O-CA 3.44Å; L329-S332 VanDerWaalsContact O-CB 3.25Å; L329-S332 WeakPolarHBondContact O-CB 3.19Å; L329-S332 PolarHBondContact O-N 3.07Å; L329-E333 PolarHBondContact O-N 3.22Å
330	D	35.4	Very low	46.9	Very low	113 Å²	113	105.6 Å²	105.6	60%	0.604	55%	0.552	S	S	*	*	H	α-helix	trans	-60.2	-33.3	175.6	-80.4	-7.5	0	0	0	112.2	D326 S332 L334	D326-D330 PolarHBondContact O-N 2.93Å; D330-S332 VanDerWaalsContact C-N 3.31Å; D330-L334 WeakPolarHBondContact O-CD1 3.5Å
331	S	44.8	Very low	49.1	Very low	64 Å²	64	105.6 Å²	105.6	45%	0.448	54%	0.542	S	S	.	.	H	α-helix	trans	-73.6	-22.1	175.1	72.7	0	0	0	0	113.7	I328 L329 G335	I328-S331 PolarHBondContact O-N 2.69Å; I328-S331 PolarHBondContact O-OG 3.21Å; L329-S331 PolarHBondContact O-N 3.18Å; S331-G335 PolarHBondContact O-N 2.95Å
332	S	44.4	Very low	51.7	Low	41 Å²	41	97.3 Å²	97.3	29%	0.287	50%	0.503	S	S	.	.	H	α-helix	trans	-76.6	-44	-179	-172.1	0	0	0	0	112.2	I328 L329 D330 G335 S336	I328-S332 PolarHBondContact O-N 3.46Å; L329-S332 WeakPolarHBondContact O-CA 3.44Å; L329-S332 VanDerWaalsContact O-CB 3.25Å; L329-S332 WeakPolarHBondContact O-CB 3.19Å; L329-S332 PolarHBondContact O-N 3.07Å; D330-S332 VanDerWaalsContact C-N 3.31Å; S332-G335 CarbonylContact O-C 3.58Å; S332-G335 WeakPolarHBondContact O-CA 3.37Å; S332-G335 PolarHBondContact O-N 3.35Å; S332-S336 PolarHBondContact O-N 2.84Å
333	E	44.4	Very low	54.1	Low	146 Å²	146	93.9 Å²	93.9	68%	0.682	47%	0.474	S	S	*	.	H	α-helix	trans	-63.2	-46.7	176.2	-71.9	-170	164.1	0	0	111.1	L329 G335 S336 D337	L329-E333 PolarHBondContact O-N 3.22Å; E333-G335 PolarHBondContact O-N 3.43Å; E333-S336 PolarHBondContact O-N 3.43Å; E333-D337 PolarHBondContact O-N 2.86Å
334	L	46.7	Very low	56.7	Low	108 Å²	108	90.6 Å²	90.6	57%	0.565	46%	0.461	S	S	*	.	H	α-helix	trans	-61.3	-26.9	171.7	-81.4	156.6	0	0	0	112.9	D330 R338	D330-L334 WeakPolarHBondContact O-CD1 3.5Å; L334-R338 VanDerWaalsContact O-CD 3.23Å; L334-R338 WeakPolarHBondContact O-CD 3.3Å; L334-R338 WeakPolarHBondContact O-CG 3.43Å; L334-R338 PolarHBondContact O-NE 3Å
335	G	58	Low	59.3	Low	3 Å²	3	85.6 Å²	85.6	3%	0.031	43%	0.434	C	S	.	.	H	α-helix	trans	-76.5	-43.1	177.2	0	0	0	0	0	112.9	S331 S332 E333 R338 V339	S331-G335 PolarHBondContact O-N 2.95Å; S332-G335 CarbonylContact O-C 3.58Å; S332-G335 WeakPolarHBondContact O-CA 3.37Å; S332-G335 PolarHBondContact O-N 3.35Å; E333-G335 PolarHBondContact O-N 3.43Å; G335-R338 WeakPolarHBondContact O-CB 3.42Å; G335-R338 PolarHBondContact O-N 3.13Å; G335-R338 VanDerWaalsContact O-N 3.17Å; G335-V339 WeakPolarHBondContact O-CG2 3.42Å; G335-V339 PolarHBondContact O-N 3.3Å
336	S	60.8	Low	62.1	Low	27 Å²	27	75 Å²	75	19%	0.189	39%	0.394	C	S	.	.	H	α-helix	trans	-64.5	-44	-175.5	-172.3	0	0	0	0	112.2	S332 E333 R338 V339 L340 K422	S332-S336 PolarHBondContact O-N 2.84Å; E333-S336 PolarHBondContact O-N 3.43Å; S336-R338 PolarHBondContact O-N 2.68Å; S336-V339 PolarHBondContact O-N 3.5Å; S336-L340 PolarHBondContact O-N 3.24Å; S336-K422 PolarHBondContact OG-NZ 3.03Å
337	D	63.9	Low	65	Low	119 Å²	119	71.8 Å²	71.8	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-62.6	-33.4	176.1	-76.4	-6.8	0	0	0	111.5	E333	E333-D337 PolarHBondContact O-N 2.86Å
338	R	72.5	Confident	67.7	Low	106 Å²	106	64.7 Å²	64.7	40%	0.4	35%	0.348	S	S	.	.	H	α-helix	trans	-73.2	-35.8	176.6	-68.4	175.2	-174.4	-168.9	2	112.8	L334 G335 S336 L340 V341 I342	L334-R338 VanDerWaalsContact O-CD 3.23Å; L334-R338 WeakPolarHBondContact O-CD 3.3Å; L334-R338 WeakPolarHBondContact O-CG 3.43Å; L334-R338 PolarHBondContact O-NE 3Å; G335-R338 WeakPolarHBondContact O-CB 3.42Å; G335-R338 PolarHBondContact O-N 3.13Å; G335-R338 VanDerWaalsContact O-N 3.17Å; S336-R338 PolarHBondContact O-N 2.68Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L340 PolarHBondContact O-N 3.46Å; R338-V341 PolarHBondContact O-N 2.81Å; R338-I342 HydrophobicContact CB-CD1 4.33Å; R338-I342 WeakPolarHBondContact O-CB 3.44Å; R338-I342 WeakPolarHBondContact O-CD1 3.45Å; R338-I342 WeakPolarHBondContact O-CG1 3.33Å; R338-I342 PolarHBondContact O-N 3.42Å
339	V	78.1	Confident	70.3	Confident	16 Å²	16	60 Å²	60	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-42.8	178.5	168.3	0	0	0	0	111.1	G335 S336 V341 I342 E343 Y415 V418 T419	G335-V339 WeakPolarHBondContact O-CG2 3.42Å; G335-V339 PolarHBondContact O-N 3.3Å; S336-V339 PolarHBondContact O-N 3.5Å; V339-V341 PolarHBondContact O-N 3.28Å; V339-I342 PolarHBondContact O-N 3.25Å; V339-E343 PolarHBondContact O-N 2.82Å; V339-E343 VanDerWaalsContact O-N 3.09Å; V339-Y415 HydrophobicContact CG1-CD2 3.87Å; V339-Y415 HydrophobicContact CG1-CE2 3.77Å; V339-V418 HydrophobicContact CG2-CB 3.76Å; V339-V418 HydrophobicContact CG2-CG1 3.42Å; V339-V418 VanDerWaalsContact CG2-CG1 3.42Å; V339-T419 HydrophobicContact CG1-CG2 3.7Å; V339-T419 HydrophobicContact CG2-CG2 4.44Å
340	L	77.3	Confident	73.2	Confident	120 Å²	120	55 Å²	55	63%	0.628	30%	0.298	S	S	*	.	H	α-helix	trans	-61.9	-31.8	179.3	-66.8	174.8	0	0	0	112.7	S336 R338 P344	S336-L340 PolarHBondContact O-N 3.24Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L340 PolarHBondContact O-N 3.46Å; L340-P344 WeakPolarHBondContact O-CD 3.42Å
341	V	82.8	Confident	76	Confident	94 Å²	94	52.7 Å²	52.7	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-81.9	-34.1	177.3	-179.5	0	0	0	0	111.8	R338 V339 I345	R338-V341 PolarHBondContact O-N 2.81Å; V339-V341 PolarHBondContact O-N 3.28Å; V341-I345 HydrophobicContact CG1-CD1 4.26Å; V341-I345 WeakPolarHBondContact O-CD1 3.21Å; V341-I345 WeakPolarHBondContact O-CG1 3.5Å
342	I	87.4	Confident	78.4	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-75.2	-35.8	-175.7	-71.9	166.2	0	0	0	112.2	L303 R338 V339 I345 I346 L411 Y414	L303-I342 HydrophobicContact CD2-CD1 4.31Å; R338-I342 HydrophobicContact CB-CD1 4.33Å; R338-I342 WeakPolarHBondContact O-CB 3.44Å; R338-I342 WeakPolarHBondContact O-CD1 3.45Å; R338-I342 WeakPolarHBondContact O-CG1 3.33Å; R338-I342 PolarHBondContact O-N 3.42Å; V339-I342 PolarHBondContact O-N 3.25Å; I342-I345 WeakPolarHBondContact O-CB 3.26Å; I342-I345 PolarHBondContact O-N 2.94Å; I342-I345 VanDerWaalsContact O-N 3.15Å; I342-I346 HydrophobicContact CG2-CD1 3.57Å; I342-I346 HydrophobicContact CG2-CG1 3.91Å; I342-I346 WeakPolarHBondContact O-CG1 3.41Å; I342-I346 PolarHBondContact O-N 3.47Å; I342-L411 HydrophobicContact CG2-CB 4.37Å; I342-L411 HydrophobicContact CG2-CD2 4.26Å; I342-Y414 HydrophobicContact CD1-CD1 3.67Å; I342-Y414 HydrophobicContact CD1-CE1 3.53Å
343	E	90.1	Very high	80.8	Confident	51 Å²	51	47.7 Å²	47.7	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-47.2	-175.2	-178	173.3	-166.2	0	0	113.8	V339 I345 I346 V347 Y415 K448 R452	V339-E343 PolarHBondContact O-N 2.82Å; V339-E343 VanDerWaalsContact O-N 3.09Å; E343-I345 VanDerWaalsContact C-N 3.26Å; E343-I345 PolarHBondContact O-N 2.74Å; E343-I346 WeakPolarHBondContact O-CB 3.49Å; E343-I346 PolarHBondContact O-N 2.77Å; E343-V347 WeakPolarHBondContact O-CG2 3.3Å; E343-V347 PolarHBondContact O-N 2.75Å; E343-Y415 HydrophobicContact CB-CD2 4.22Å; E343-Y415 HydrophobicContact CB-CE2 3.88Å; E343-Y415 HydrophobicContact CG-CE2 4.09Å; E343-K448 WeakPolarHBondContact OE1-CE 3.48Å; E343-K448 IonicContact OE1-NZ 3.93Å; E343-K448 PolarHBondContact OE1-NZ 3.33Å; E343-R452 IonicContact OE1-NH1 3.72Å
344	P	90.2	Very high	83.1	Confident	60 Å²	60	42.6 Å²	42.6	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-59.7	-37.1	173.9	-24.2	34.5	0	0	0	112.7	F235 L340 V347 E348	F235-P344 WeakPolarHBondContact CE1-O 3.49Å; L340-P344 WeakPolarHBondContact O-CD 3.42Å; P344-V347 PolarHBondContact O-N 3.19Å; P344-E348 WeakPolarHBondContact O-CB 3.24Å; P344-E348 PolarHBondContact O-N 3.3Å
345	I	91.5	Very high	85.4	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-41.6	177.8	-62	172.5	0	0	0	110.8	F290 H294 L296 L299 V341 I342 E343 E348 T349 L411	F290-I345 HydrophobicContact CZ-CG2 4.47Å; H294-I345 HydrophobicContact CB-CD1 4.27Å; L296-I345 HydrophobicContact CD2-CG2 3.5Å; L299-I345 HydrophobicContact CD1-CD1 4.17Å; V341-I345 HydrophobicContact CG1-CD1 4.26Å; V341-I345 WeakPolarHBondContact O-CD1 3.21Å; V341-I345 WeakPolarHBondContact O-CG1 3.5Å; I342-I345 WeakPolarHBondContact O-CB 3.26Å; I342-I345 PolarHBondContact O-N 2.94Å; I342-I345 VanDerWaalsContact O-N 3.15Å; E343-I345 VanDerWaalsContact C-N 3.26Å; E343-I345 PolarHBondContact O-N 2.74Å; I345-E348 PolarHBondContact O-N 2.96Å; I345-T349 VanDerWaalsContact O-CB 3.31Å; I345-T349 WeakPolarHBondContact O-CB 3.47Å; I345-T349 PolarHBondContact O-N 2.87Å; I345-T349 PolarHBondContact O-OG1 2.74Å; I345-L411 HydrophobicContact CG2-CD1 3.98Å
346	I	93.3	Very high	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-49.2	174.7	-73.4	172.2	0	0	0	110.1	I342 E343 T349 L350 Y408 L411 E412 Y415	I342-I346 HydrophobicContact CG2-CD1 3.57Å; I342-I346 HydrophobicContact CG2-CG1 3.91Å; I342-I346 WeakPolarHBondContact O-CG1 3.41Å; I342-I346 PolarHBondContact O-N 3.47Å; E343-I346 WeakPolarHBondContact O-CB 3.49Å; E343-I346 PolarHBondContact O-N 2.77Å; I346-T349 PolarHBondContact O-N 3.27Å; I346-L350 VanDerWaalsContact O-CB 3.26Å; I346-L350 WeakPolarHBondContact O-CB 3.39Å; I346-L350 PolarHBondContact O-N 3.47Å; I346-Y408 HydrophobicContact CG2-CD2 4.13Å; I346-Y408 HydrophobicContact CG2-CE2 3.74Å; I346-L411 HydrophobicContact CD1-CB 4.09Å; I346-L411 HydrophobicContact CG1-CB 3.66Å; I346-L411 HydrophobicContact CG1-CD1 4.46Å; I346-E412 WeakPolarHBondContact CG2-OE2 3.31Å; I346-Y415 HydrophobicContact CD1-CD2 4.32Å; I346-Y415 HydrophobicContact CD1-CG 3.95Å
347	V	93.2	Very high	88.6	Confident	54 Å²	54	38.3 Å²	38.3	33%	0.327	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-43.4	-178.9	175.1	0	0	0	0	110.9	F235 E343 P344 L350 Q351	F235-V347 HydrophobicContact CD1-CG1 4.47Å; F235-V347 HydrophobicContact CE1-CB 3.81Å; F235-V347 HydrophobicContact CE1-CG1 3.64Å; F235-V347 HydrophobicContact CZ-CB 4.25Å; F235-V347 HydrophobicContact CZ-CG1 3.92Å; E343-V347 WeakPolarHBondContact O-CG2 3.3Å; E343-V347 PolarHBondContact O-N 2.75Å; P344-V347 PolarHBondContact O-N 3.19Å; V347-L350 PolarHBondContact O-N 3.22Å; V347-Q351 WeakPolarHBondContact O-CB 3.17Å; V347-Q351 PolarHBondContact O-N 2.89Å
348	E	93.5	Very high	90	Very high	12 Å²	12	38 Å²	38	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-46	176.5	-162.5	171	-173.1	0	0	111.4	F235 V236 S237 A238 F290 H294 P344 I345 L350 Q351 I352	F235-E348 VanDerWaalsContact C-OE1 3.23Å; F235-E348 WeakPolarHBondContact CA-OE1 3.44Å; F235-E348 HydrophobicContact CB-CG 4.31Å; F235-E348 HydrophobicContact CD1-CB 3.53Å; F235-E348 HydrophobicContact CD1-CG 3.84Å; F235-E348 HydrophobicContact CE1-CB 4Å; V236-E348 PolarHBondContact N-OE1 3.21Å; S237-E348 WeakPolarHBondContact CB-OE1 3.34Å; S237-E348 PolarHBondContact N-OE1 3.45Å; A238-E348 HydrophobicContact CB-CG 3.74Å; A238-E348 PolarHBondContact N-OE1 3.39Å; F290-E348 HydrophobicContact CD2-CG 4.4Å; F290-E348 HydrophobicContact CE2-CB 4.02Å; F290-E348 VanDerWaalsContact CE2-CD 3.46Å; F290-E348 HydrophobicContact CE2-CG 3.71Å; F290-E348 WeakPolarHBondContact CE2-OE2 3.21Å; F290-E348 HydrophobicContact CZ-CB 4.34Å; F290-E348 HydrophobicContact CZ-CG 4.38Å; H294-E348 IonicContact CE1-OE2 3.22Å; H294-E348 IonicContact NE2-OE2 2.69Å; H294-E348 PolarHBondContact NE2-OE2 2.67Å; P344-E348 WeakPolarHBondContact O-CB 3.24Å; P344-E348 PolarHBondContact O-N 3.3Å; I345-E348 PolarHBondContact O-N 2.96Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-L350 PolarHBondContact O-N 3.48Å; E348-Q351 PolarHBondContact O-N 3.44Å; E348-I352 HydrophobicContact CG-CD1 4.43Å; E348-I352 VanDerWaalsContact O-CG1 3.31Å; E348-I352 WeakPolarHBondContact O-CG1 3.44Å; E348-I352 PolarHBondContact O-N 2.93Å
349	T	94.2	Very high	91	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-45.6	178.7	-56.2	0	0	0	0	110.8	F290 I345 I346 I352 I353 L404	F290-T349 WeakPolarHBondContact CZ-OG1 3.18Å; I345-T349 VanDerWaalsContact O-CB 3.31Å; I345-T349 WeakPolarHBondContact O-CB 3.47Å; I345-T349 PolarHBondContact O-N 2.87Å; I345-T349 PolarHBondContact O-OG1 2.74Å; I346-T349 PolarHBondContact O-N 3.27Å; T349-I352 PolarHBondContact O-N 3.28Å; T349-I353 HydrophobicContact CG2-CD1 3.93Å; T349-I353 WeakPolarHBondContact O-CD1 3.38Å; T349-I353 VanDerWaalsContact O-CG1 3.28Å; T349-I353 WeakPolarHBondContact O-CG1 3.39Å; T349-I353 PolarHBondContact O-N 3.32Å; T349-L404 HydrophobicContact CG2-CB 4.48Å; T349-L404 HydrophobicContact CG2-CD2 4.03Å
350	L	94.5	Very high	91.7	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-41.1	179.7	-174.4	57.4	0	0	0	111.6	I346 V347 E348 I352 I353 T354 Y408 R452 S455	I346-L350 VanDerWaalsContact O-CB 3.26Å; I346-L350 WeakPolarHBondContact O-CB 3.39Å; I346-L350 PolarHBondContact O-N 3.47Å; V347-L350 PolarHBondContact O-N 3.22Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-L350 PolarHBondContact O-N 3.48Å; L350-I352 PolarHBondContact O-N 2.92Å; L350-I353 WeakPolarHBondContact O-CB 3.44Å; L350-I353 PolarHBondContact O-N 3.28Å; L350-T354 PolarHBondContact O-N 3.21Å; L350-T354 PolarHBondContact O-OG1 2.86Å; L350-Y408 HydrophobicContact CB-CD2 4.37Å; L350-Y408 HydrophobicContact CB-CE2 4.25Å; L350-Y408 HydrophobicContact CD1-CE2 4.14Å; L350-Y408 HydrophobicContact CD2-CE2 4.14Å; L350-Y408 HydrophobicContact CG-CE2 4.44Å; L350-R452 HydrophobicContact CD2-CB 3.74Å; L350-R452 HydrophobicContact CD2-CG 3.95Å; L350-R452 WeakPolarHBondContact CD2-O 3.38Å; L350-S455 VanDerWaalsContact CD2-OG 3.26Å; L350-S455 WeakPolarHBondContact CD2-OG 3.39Å; L350-S455 WeakPolarHBondContact CG-OG 3.34Å
351	Q	93.9	Very high	92.4	Very high	65 Å²	65	30.9 Å²	30.9	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-40.8	175.3	-172.4	-179.7	-13.7	0	0	112.2	A238 N239 V347 E348 I353 T354 C355	A238-Q351 HydrophobicContact CB-CB 3.96Å; A238-Q351 HydrophobicContact CB-CG 3.89Å; N239-Q351 PolarHBondContact OD1-NE2 3.36Å; V347-Q351 WeakPolarHBondContact O-CB 3.17Å; V347-Q351 PolarHBondContact O-N 2.89Å; E348-Q351 PolarHBondContact O-N 3.44Å; Q351-I353 VanDerWaalsContact C-N 3.35Å; Q351-T354 PolarHBondContact O-N 2.96Å; Q351-C355 WeakPolarHBondContact O-CB 3.39Å; Q351-C355 PolarHBondContact O-N 2.88Å
352	I	94.7	Very high	92.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-45.8	174.4	-65.4	167.1	0	0	0	110.6	A238 I241 V287 F290 E348 T349 L350 S356 L404	A238-I352 HydrophobicContact CB-CG1 3.81Å; I241-I352 HydrophobicContact CD1-CB 4.47Å; I241-I352 HydrophobicContact CD1-CD1 4.31Å; I241-I352 HydrophobicContact CD1-CG1 4.08Å; I241-I352 HydrophobicContact CD1-CG2 3.62Å; V287-I352 HydrophobicContact CG2-CG2 4.47Å; F290-I352 HydrophobicContact CD1-CD1 4.01Å; F290-I352 HydrophobicContact CD2-CD1 4.14Å; F290-I352 HydrophobicContact CE1-CD1 4.07Å; F290-I352 HydrophobicContact CE2-CD1 4.21Å; F290-I352 HydrophobicContact CG-CD1 4.05Å; F290-I352 HydrophobicContact CZ-CD1 4.2Å; E348-I352 HydrophobicContact CG-CD1 4.43Å; E348-I352 VanDerWaalsContact O-CG1 3.31Å; E348-I352 WeakPolarHBondContact O-CG1 3.44Å; E348-I352 PolarHBondContact O-N 2.93Å; T349-I352 PolarHBondContact O-N 3.28Å; L350-I352 PolarHBondContact O-N 2.92Å; I352-S356 WeakPolarHBondContact O-CB 3.42Å; I352-S356 PolarHBondContact O-N 3.46Å; I352-S356 PolarHBondContact O-OG 2.87Å; I352-L404 HydrophobicContact CG2-CD1 3.6Å
353	I	95.5	Very high	93.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-53.9	178	-70.6	160.8	0	0	0	110.2	T349 L350 Q351 C355 S356 E357 V401 L404 L405 Y408	T349-I353 HydrophobicContact CG2-CD1 3.93Å; T349-I353 WeakPolarHBondContact O-CD1 3.38Å; T349-I353 VanDerWaalsContact O-CG1 3.28Å; T349-I353 WeakPolarHBondContact O-CG1 3.39Å; T349-I353 PolarHBondContact O-N 3.32Å; L350-I353 WeakPolarHBondContact O-CB 3.44Å; L350-I353 PolarHBondContact O-N 3.28Å; Q351-I353 VanDerWaalsContact C-N 3.35Å; I353-C355 VanDerWaalsContact C-N 3.33Å; I353-C355 PolarHBondContact O-N 3.07Å; I353-S356 PolarHBondContact O-N 3.01Å; I353-E357 HydrophobicContact CG2-CG 4.44Å; I353-E357 WeakPolarHBondContact O-CB 3.42Å; I353-E357 PolarHBondContact O-N 3.45Å; I353-V401 HydrophobicContact CG2-CG1 4.44Å; I353-L404 HydrophobicContact CD1-CB 4Å; I353-L404 HydrophobicContact CG1-CB 3.73Å; I353-L404 HydrophobicContact CG1-CD1 4.48Å; I353-L405 HydrophobicContact CD1-CD2 3.93Å; I353-L405 HydrophobicContact CD1-CG 4.22Å; I353-L405 HydrophobicContact CG1-CD2 4.4Å; I353-L405 HydrophobicContact CG1-CG 4.47Å; I353-L405 HydrophobicContact CG2-CD2 3.62Å; I353-L405 HydrophobicContact CG2-CG 4.18Å; I353-Y408 HydrophobicContact CD1-CG 4.37Å
354	T	94	Very high	93.1	Very high	39 Å²	39	30.4 Å²	30.4	24%	0.239	16%	0.155	C	C	.	.	H	α-helix	trans	-59.3	-44.5	-176.8	-56.7	0	0	0	0	111.3	L350 Q351 S356 E357 L358 S455	L350-T354 PolarHBondContact O-N 3.21Å; L350-T354 PolarHBondContact O-OG1 2.86Å; Q351-T354 PolarHBondContact O-N 2.96Å; T354-S356 PolarHBondContact O-N 3.44Å; T354-E357 PolarHBondContact O-N 3.49Å; T354-L358 HydrophobicContact CG2-CD1 4.2Å; T354-L358 WeakPolarHBondContact O-CB 3.44Å; T354-L358 VanDerWaalsContact O-CG 3.26Å; T354-L358 WeakPolarHBondContact O-CG 3.45Å; T354-L358 PolarHBondContact O-N 3.47Å; T354-S455 WeakPolarHBondContact CG2-O 3.27Å; T354-S455 PolarHBondContact OG1-O 3.47Å
355	C	93.4	Very high	93.1	Very high	17 Å²	17	36 Å²	36	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-44.2	177.8	-171.9	0	0	0	0	112	T242 L245 Q351 I353 L358 Y359	T242-C355 VanDerWaalsContact CA-SG 3.56Å; L245-C355 HydrophobicContact CD1-CB 4.48Å; Q351-C355 WeakPolarHBondContact O-CB 3.39Å; Q351-C355 PolarHBondContact O-N 2.88Å; I353-C355 VanDerWaalsContact C-N 3.33Å; I353-C355 PolarHBondContact O-N 3.07Å; C355-L358 PolarHBondContact O-N 3.41Å; C355-Y359 PolarHBondContact O-N 2.86Å
356	S	94.7	Very high	92.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-42.7	178.7	-57.6	0	0	0	0	112.1	I352 I353 T354 Y359 L360	I352-S356 WeakPolarHBondContact O-CB 3.42Å; I352-S356 PolarHBondContact O-N 3.46Å; I352-S356 PolarHBondContact O-OG 2.87Å; I353-S356 PolarHBondContact O-N 3.01Å; T354-S356 PolarHBondContact O-N 3.44Å; S356-Y359 PolarHBondContact O-N 3.42Å; S356-L360 WeakPolarHBondContact O-CB 3.31Å; S356-L360 VanDerWaalsContact O-CG 3.28Å; S356-L360 WeakPolarHBondContact O-CG 3.26Å; S356-L360 PolarHBondContact O-N 2.9Å
357	E	92	Very high	92.7	Very high	30 Å²	30	37.7 Å²	37.7	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-42.6	174.8	-82.9	-73.4	154.3	0	0	112.2	I353 T354 Y359 L360 R361 V401	I353-E357 HydrophobicContact CG2-CG 4.44Å; I353-E357 WeakPolarHBondContact O-CB 3.42Å; I353-E357 PolarHBondContact O-N 3.45Å; T354-E357 PolarHBondContact O-N 3.49Å; E357-Y359 PolarHBondContact O-N 3.19Å; E357-L360 PolarHBondContact O-N 3.44Å; E357-R361 WeakPolarHBondContact O-CB 3.05Å; E357-R361 WeakPolarHBondContact O-CG 3.43Å; E357-R361 PolarHBondContact O-N 2.74Å; E357-R361 IonicContact OE2-CZ 2.8Å; E357-R361 IonicContact OE2-NE 3.91Å; E357-R361 PolarHBondContact OE2-NE 3.22Å; E357-R361 IonicContact OE2-NH2 3.48Å; E357-V401 HydrophobicContact CG-CG1 4.27Å
358	L	92.3	Very high	92.4	Very high	111 Å²	111	37.9 Å²	37.9	58%	0.581	18%	0.177	S	C	*	.	H	α-helix	trans	-61.7	-43.9	176.1	-74	172.9	0	0	0	111.7	T354 C355 R361 F362	T354-L358 HydrophobicContact CG2-CD1 4.2Å; T354-L358 WeakPolarHBondContact O-CB 3.44Å; T354-L358 VanDerWaalsContact O-CG 3.26Å; T354-L358 WeakPolarHBondContact O-CG 3.45Å; T354-L358 PolarHBondContact O-N 3.47Å; C355-L358 PolarHBondContact O-N 3.41Å; L358-R361 PolarHBondContact O-N 2.91Å; L358-F362 WeakPolarHBondContact O-CB 3.49Å; L358-F362 PolarHBondContact O-N 3.13Å
359	Y	95	Very high	92	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-48.8	175.5	170.1	-98.5	0	0	0	112.2	L245 V248 H276 V279 C355 S356 E357 R361 F362 I363 L397	L245-Y359 HydrophobicContact CB-CD2 4.35Å; L245-Y359 HydrophobicContact CB-CG 4.49Å; L245-Y359 HydrophobicContact CD1-CG 4.44Å; L245-Y359 HydrophobicContact CD2-CD1 3.93Å; L245-Y359 HydrophobicContact CD2-CD2 3.91Å; L245-Y359 HydrophobicContact CD2-CE1 4.21Å; L245-Y359 HydrophobicContact CD2-CE2 4.18Å; L245-Y359 HydrophobicContact CD2-CG 3.76Å; L245-Y359 HydrophobicContact CG-CG 4.46Å; V248-Y359 HydrophobicContact CB-CE2 4.4Å; V248-Y359 HydrophobicContact CG1-CE2 3.96Å; H276-Y359 AromaticContact ND1-CE1 3.67Å; V279-Y359 HydrophobicContact CG1-CE1 3.93Å; V279-Y359 VanDerWaalsContact CG2-OH 3.27Å; V279-Y359 WeakPolarHBondContact CG2-OH 3.17Å; C355-Y359 PolarHBondContact O-N 2.86Å; S356-Y359 PolarHBondContact O-N 3.42Å; E357-Y359 PolarHBondContact O-N 3.19Å; Y359-R361 VanDerWaalsContact C-N 3.34Å; Y359-R361 PolarHBondContact O-N 3.25Å; Y359-F362 WeakPolarHBondContact O-CB 3.37Å; Y359-F362 PolarHBondContact O-N 3.48Å; Y359-I363 HydrophobicContact CD1-CD1 4.32Å; Y359-I363 HydrophobicContact CD2-CD1 4.19Å; Y359-I363 HydrophobicContact CE1-CD1 3.58Å; Y359-I363 HydrophobicContact CE2-CD1 3.43Å; Y359-I363 VanDerWaalsContact CE2-CD1 3.43Å; Y359-I363 HydrophobicContact CE2-CG1 4.16Å; Y359-I363 PolarHBondContact O-N 3.36Å; Y359-I363 WeakPolarHBondContact OH-CD1 3.46Å; Y359-L397 HydrophobicContact CD1-CD2 3.64Å; Y359-L397 HydrophobicContact CE1-CD2 3.81Å
360	L	93.3	Very high	91.6	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-45.1	178.5	-73.4	170	0	0	0	111.1	S356 E357 I363 Q364 F392 L397 V398 V401	S356-L360 WeakPolarHBondContact O-CB 3.31Å; S356-L360 VanDerWaalsContact O-CG 3.28Å; S356-L360 WeakPolarHBondContact O-CG 3.26Å; S356-L360 PolarHBondContact O-N 2.9Å; E357-L360 PolarHBondContact O-N 3.44Å; L360-I363 PolarHBondContact O-N 3Å; L360-Q364 WeakPolarHBondContact O-CB 3.26Å; L360-Q364 VanDerWaalsContact O-CG 3.27Å; L360-Q364 WeakPolarHBondContact O-CG 3.49Å; L360-Q364 PolarHBondContact O-N 3.23Å; L360-F392 HydrophobicContact CD2-CD1 4.34Å; L360-F392 HydrophobicContact CD2-CE1 4.38Å; L360-L397 HydrophobicContact CD1-CD2 4.47Å; L360-L397 HydrophobicContact CD1-CG 4.44Å; L360-L397 HydrophobicContact CD2-CD2 3.94Å; L360-L397 HydrophobicContact CD2-CG 4.44Å; L360-L397 HydrophobicContact CG-CD2 4.04Å; L360-V398 HydrophobicContact CD1-CG2 3.92Å; L360-V398 HydrophobicContact CD2-CG2 3.9Å; L360-V401 HydrophobicContact CD1-CG2 4.48Å
361	R	90.4	Very high	91.1	Very high	78 Å²	78	40.3 Å²	40.3	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-43.2	175.8	-72.5	172.3	-167.6	-158.4	-2.9	112.3	E357 L358 Y359 I363 Q364 R365 G457	E357-R361 WeakPolarHBondContact O-CB 3.05Å; E357-R361 WeakPolarHBondContact O-CG 3.43Å; E357-R361 PolarHBondContact O-N 2.74Å; E357-R361 IonicContact OE2-CZ 2.8Å; E357-R361 IonicContact OE2-NE 3.91Å; E357-R361 PolarHBondContact OE2-NE 3.22Å; E357-R361 IonicContact OE2-NH2 3.48Å; L358-R361 PolarHBondContact O-N 2.91Å; Y359-R361 VanDerWaalsContact C-N 3.34Å; Y359-R361 PolarHBondContact O-N 3.25Å; R361-I363 VanDerWaalsContact C-N 3.33Å; R361-I363 PolarHBondContact O-N 3.22Å; R361-Q364 PolarHBondContact O-N 3.3Å; R361-R365 VanDerWaalsContact O-CB 3.29Å; R361-R365 WeakPolarHBondContact O-CB 3.28Å; R361-R365 WeakPolarHBondContact O-CG 3.29Å; R361-R365 PolarHBondContact O-N 3.16Å; R361-G457 PolarHBondContact NH2-O 3.34Å
362	F	93	Very high	90.6	Very high	61 Å²	61	44.3 Å²	44.3	27%	0.268	22%	0.216	S	C	.	.	H	α-helix	trans	-56.9	-49.4	176.9	162.8	-105	0	0	0	110.7	A249 K253 L358 Y359 R366	A249-F362 HydrophobicContact CB-CD1 4.02Å; A249-F362 HydrophobicContact CB-CE1 3.86Å; K253-F362 HydrophobicContact CB-CZ 4.2Å; L358-F362 WeakPolarHBondContact O-CB 3.49Å; L358-F362 PolarHBondContact O-N 3.13Å; Y359-F362 WeakPolarHBondContact O-CB 3.37Å; Y359-F362 PolarHBondContact O-N 3.48Å; F362-R366 WeakPolarHBondContact O-CB 3.42Å; F362-R366 PolarHBondContact O-N 3.03Å
363	I	92.9	Very high	90	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-47.6	-179.5	-73.6	-170.5	0	0	0	111.8	L252 V272 Y359 L360 R361 R365 R366 I367 F392	L252-I363 HydrophobicContact CD1-CD1 3.82Å; L252-I363 HydrophobicContact CD1-CG1 4.37Å; V272-I363 HydrophobicContact CG1-CD1 4.07Å; V272-I363 HydrophobicContact CG1-CG1 4.47Å; V272-I363 HydrophobicContact CG1-CG2 3.38Å; Y359-I363 HydrophobicContact CD1-CD1 4.32Å; Y359-I363 HydrophobicContact CD2-CD1 4.19Å; Y359-I363 HydrophobicContact CE1-CD1 3.58Å; Y359-I363 HydrophobicContact CE2-CD1 3.43Å; Y359-I363 VanDerWaalsContact CE2-CD1 3.43Å; Y359-I363 HydrophobicContact CE2-CG1 4.16Å; Y359-I363 PolarHBondContact O-N 3.36Å; Y359-I363 WeakPolarHBondContact OH-CD1 3.46Å; L360-I363 PolarHBondContact O-N 3Å; R361-I363 VanDerWaalsContact C-N 3.33Å; R361-I363 PolarHBondContact O-N 3.22Å; I363-R365 VanDerWaalsContact C-N 3.31Å; I363-R365 PolarHBondContact O-N 3.23Å; I363-R366 PolarHBondContact O-N 2.97Å; I363-R366 VanDerWaalsContact O-N 3.13Å; I363-I367 HydrophobicContact CG2-CD1 3.54Å; I363-I367 HydrophobicContact CG2-CG1 4.29Å; I363-I367 WeakPolarHBondContact O-CG1 3.28Å; I363-I367 PolarHBondContact O-N 3.44Å; I363-F392 HydrophobicContact CG2-CE1 4.28Å; I363-F392 HydrophobicContact CG2-CZ 3.9Å
364	Q	90.4	Very high	89.1	Confident	77 Å²	77	51.5 Å²	51.5	36%	0.36	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-43.1	179.3	-77.3	176.8	-4.8	0	0	111.7	L360 R361 R366 S368 F392	L360-Q364 WeakPolarHBondContact O-CB 3.26Å; L360-Q364 VanDerWaalsContact O-CG 3.27Å; L360-Q364 WeakPolarHBondContact O-CG 3.49Å; L360-Q364 PolarHBondContact O-N 3.23Å; R361-Q364 PolarHBondContact O-N 3.3Å; Q364-R366 VanDerWaalsContact C-N 3.33Å; Q364-R366 PolarHBondContact O-N 3.45Å; Q364-S368 WeakPolarHBondContact O-CB 3.38Å; Q364-S368 PolarHBondContact O-N 3.39Å; Q364-S368 PolarHBondContact O-OG 3.02Å; Q364-F392 HydrophobicContact CG-CD1 4.36Å; Q364-F392 HydrophobicContact CG-CD2 4.03Å; Q364-F392 HydrophobicContact CG-CE1 3.91Å; Q364-F392 HydrophobicContact CG-CE2 3.53Å; Q364-F392 HydrophobicContact CG-CG 4.43Å; Q364-F392 HydrophobicContact CG-CZ 3.49Å; Q364-F392 VanDerWaalsContact CG-CZ 3.49Å
365	R	88.8	Confident	88.1	Confident	176 Å²	176	57 Å²	57	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-62.1	-41.7	175.8	-75.6	174.8	-178.9	172.9	0.4	111.4	R361 I363 S368 A369	R361-R365 VanDerWaalsContact O-CB 3.29Å; R361-R365 WeakPolarHBondContact O-CB 3.28Å; R361-R365 WeakPolarHBondContact O-CG 3.29Å; R361-R365 PolarHBondContact O-N 3.16Å; I363-R365 VanDerWaalsContact C-N 3.31Å; I363-R365 PolarHBondContact O-N 3.23Å; R365-S368 PolarHBondContact O-N 3.2Å; R365-A369 WeakPolarHBondContact O-CB 3.34Å; R365-A369 PolarHBondContact O-N 2.98Å
366	R	88.1	Confident	87.2	Confident	42 Å²	42	58.9 Å²	58.9	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-46.2	-178.5	-163.2	164.1	-164.8	144.9	-5.8	112.9	K253 S256 E260 F362 I363 Q364 S368 A369 D370	K253-R366 PolarHBondContact O-NH2 3.17Å; S256-R366 PolarHBondContact OG-NE 3.18Å; S256-R366 PolarHBondContact OG-NH2 2.53Å; E260-R366 IonicContact OE1-NE 3.25Å; E260-R366 IonicContact OE1-NH2 3.99Å; F362-R366 WeakPolarHBondContact O-CB 3.42Å; F362-R366 PolarHBondContact O-N 3.03Å; I363-R366 PolarHBondContact O-N 2.97Å; I363-R366 VanDerWaalsContact O-N 3.13Å; Q364-R366 VanDerWaalsContact C-N 3.33Å; Q364-R366 PolarHBondContact O-N 3.45Å; R366-S368 VanDerWaalsContact C-N 3.29Å; R366-S368 PolarHBondContact O-N 3.11Å; R366-A369 PolarHBondContact O-N 3.08Å; R366-D370 PolarHBondContact O-N 3.23Å
367	I	88.8	Confident	86.3	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-43.1	173.4	-66.4	162.8	0	0	0	110.3	F269 V272 I363 A369 D370 I371 I388 F392	F269-I367 HydrophobicContact CB-CG2 4.34Å; F269-I367 HydrophobicContact CD2-CD1 4.03Å; F269-I367 HydrophobicContact CD2-CG1 4.48Å; F269-I367 HydrophobicContact CD2-CG2 4.1Å; V272-I367 HydrophobicContact CB-CD1 4.42Å; V272-I367 HydrophobicContact CG1-CD1 3.85Å; V272-I367 HydrophobicContact CG1-CG1 4.34Å; I363-I367 HydrophobicContact CG2-CD1 3.54Å; I363-I367 HydrophobicContact CG2-CG1 4.29Å; I363-I367 WeakPolarHBondContact O-CG1 3.28Å; I363-I367 PolarHBondContact O-N 3.44Å; I367-A369 VanDerWaalsContact C-N 3.35Å; I367-A369 PolarHBondContact O-N 3.2Å; I367-D370 PolarHBondContact O-N 3.09Å; I367-I371 HydrophobicContact CG2-CD1 3.6Å; I367-I371 HydrophobicContact CG2-CG1 4.45Å; I367-I371 VanDerWaalsContact O-CD1 3.32Å; I367-I371 WeakPolarHBondContact O-CD1 3.49Å; I367-I371 VanDerWaalsContact O-CG1 3.27Å; I367-I371 WeakPolarHBondContact O-CG1 3.26Å; I367-I371 PolarHBondContact O-N 3.15Å; I367-I371 VanDerWaalsContact O-N 3.09Å; I367-I388 HydrophobicContact CG2-CD1 3.62Å; I367-I388 HydrophobicContact CG2-CG1 4.1Å; I367-I388 HydrophobicContact CG2-CG2 4.16Å; I367-F392 HydrophobicContact CD1-CE2 4.19Å; I367-F392 HydrophobicContact CD1-CZ 3.88Å
368	S	86.1	Confident	85.6	Confident	57 Å²	57	66.9 Å²	66.9	40%	0.399	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-37	180	-63.1	0	0	0	0	112.7	Q364 R365 R366 K372	Q364-S368 WeakPolarHBondContact O-CB 3.38Å; Q364-S368 PolarHBondContact O-N 3.39Å; Q364-S368 PolarHBondContact O-OG 3.02Å; R365-S368 PolarHBondContact O-N 3.2Å; R366-S368 VanDerWaalsContact C-N 3.29Å; R366-S368 PolarHBondContact O-N 3.11Å; S368-K372 VanDerWaalsContact O-CG 3.28Å; S368-K372 WeakPolarHBondContact O-CG 3.37Å; S368-K372 PolarHBondContact O-N 3.26Å
369	A	86.1	Confident	85	Confident	61 Å²	61	66.9 Å²	66.9	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-44.7	174.6	0	0	0	0	0	111.6	R365 R366 I367 I371 K372 Q373	R365-A369 WeakPolarHBondContact O-CB 3.34Å; R365-A369 PolarHBondContact O-N 2.98Å; R366-A369 PolarHBondContact O-N 3.08Å; I367-A369 VanDerWaalsContact C-N 3.35Å; I367-A369 PolarHBondContact O-N 3.2Å; A369-I371 PolarHBondContact O-N 2.97Å; A369-K372 PolarHBondContact O-N 3.42Å; A369-Q373 PolarHBondContact O-N 3.44Å
370	D	86.5	Confident	84.3	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-45.2	178.3	-174.9	43.6	0	0	0	112.3	P265 G266 N267 I268 R366 I367 K372 Q373 C374	P265-D370 VanDerWaalsContact CA-OD1 3.31Å; P265-D370 WeakPolarHBondContact CA-OD1 3.28Å; G266-D370 VanDerWaalsContact C-OD2 3.28Å; G266-D370 WeakPolarHBondContact CA-OD2 3.49Å; G266-D370 PolarHBondContact N-OD1 2.73Å; G266-D370 PolarHBondContact N-OD2 2.75Å; N267-D370 PolarHBondContact N-OD2 3.24Å; I268-D370 HydrophobicContact CB-CB 4.26Å; I268-D370 VanDerWaalsContact CB-OD2 3.3Å; I268-D370 WeakPolarHBondContact CB-OD2 3.21Å; I268-D370 HydrophobicContact CD1-CB 3.65Å; I268-D370 VanDerWaalsContact CD1-CG 3.44Å; I268-D370 HydrophobicContact CG1-CB 4.16Å; I268-D370 VanDerWaalsContact CG1-CG 3.47Å; I268-D370 WeakPolarHBondContact CG1-OD2 3.41Å; I268-D370 PolarHBondContact N-OD2 2.89Å; I268-D370 VanDerWaalsContact N-OD2 3.15Å; R366-D370 PolarHBondContact O-N 3.23Å; I367-D370 PolarHBondContact O-N 3.09Å; D370-K372 PolarHBondContact O-N 2.91Å; D370-Q373 WeakPolarHBondContact O-CB 3.3Å; D370-Q373 PolarHBondContact O-N 2.81Å; D370-C374 PolarHBondContact O-N 2.87Å; D370-C374 PolarHBondContact O-SG 3.46Å
371	I	83.5	Confident	83.5	Confident	9 Å²	9	73.2 Å²	73.2	5%	0.046	37%	0.369	C	S	.	.	H	α-helix	trans	-71.2	-35.6	-177.8	-62.5	159.2	0	0	0	111.9	I367 A369 Q373 C374 L376 F381 I388	I367-I371 HydrophobicContact CG2-CD1 3.6Å; I367-I371 HydrophobicContact CG2-CG1 4.45Å; I367-I371 VanDerWaalsContact O-CD1 3.32Å; I367-I371 WeakPolarHBondContact O-CD1 3.49Å; I367-I371 VanDerWaalsContact O-CG1 3.27Å; I367-I371 WeakPolarHBondContact O-CG1 3.26Å; I367-I371 PolarHBondContact O-N 3.15Å; I367-I371 VanDerWaalsContact O-N 3.09Å; A369-I371 PolarHBondContact O-N 2.97Å; I371-Q373 PolarHBondContact O-N 3.25Å; I371-C374 WeakPolarHBondContact O-CB 3.3Å; I371-C374 PolarHBondContact O-N 3.5Å; I371-C374 VanDerWaalsContact O-N 3.15Å; I371-L376 HydrophobicContact CG2-CD1 4.3Å; I371-F381 HydrophobicContact CB-CE2 4.44Å; I371-F381 HydrophobicContact CG2-CD2 3.61Å; I371-F381 HydrophobicContact CG2-CE2 3.59Å; I371-I388 HydrophobicContact CD1-CD1 2.96Å; I371-I388 HydrophobicContact CD1-CG1 4.4Å; I371-I388 HydrophobicContact CG1-CD1 4.31Å
372	K	82.9	Confident	83.1	Confident	148 Å²	148	74.4 Å²	74.4	64%	0.643	38%	0.376	S	S	*	.	H	α-helix	trans	-62.4	-30.1	175	-76.2	177.8	-178.1	-173.9	0	111.5	S368 A369 D370 C374 F381	S368-K372 VanDerWaalsContact O-CG 3.28Å; S368-K372 WeakPolarHBondContact O-CG 3.37Å; S368-K372 PolarHBondContact O-N 3.26Å; A369-K372 PolarHBondContact O-N 3.42Å; D370-K372 PolarHBondContact O-N 2.91Å; K372-C374 VanDerWaalsContact C-N 3.32Å; K372-F381 HydrophobicContact CG-CE2 4.21Å; K372-F381 HydrophobicContact CG-CZ 4.48Å
373	Q	83.5	Confident	82.7	Confident	126 Å²	126	78 Å²	78	59%	0.589	39%	0.391	S	S	*	.	H	α-helix	trans	-75.3	-19.1	177.3	-165.8	173.7	0.2	0	0	113.4	P265 A369 D370 I371 N375	P265-Q373 HydrophobicContact CB-CB 3.94Å; P265-Q373 HydrophobicContact CB-CG 4.01Å; P265-Q373 HydrophobicContact CG-CG 4.31Å; A369-Q373 PolarHBondContact O-N 3.44Å; D370-Q373 WeakPolarHBondContact O-CB 3.3Å; D370-Q373 PolarHBondContact O-N 2.81Å; I371-Q373 PolarHBondContact O-N 3.25Å; Q373-N375 PolarHBondContact O-N 2.78Å
374	C	76.3	Confident	82.1	Confident	26 Å²	26	81.7 Å²	81.7	18%	0.176	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.1	-179.6	-62.9	0	0	0	0	115.4	P265 G266 D370 I371 K372 L376	P265-C374 PolarHBondContact O-SG 3.39Å; G266-C374 WeakPolarHBondContact CA-SG 3.39Å; G266-C374 PolarHBondContact N-SG 3.02Å; D370-C374 PolarHBondContact O-N 2.87Å; D370-C374 PolarHBondContact O-SG 3.46Å; I371-C374 WeakPolarHBondContact O-CB 3.3Å; I371-C374 PolarHBondContact O-N 3.5Å; I371-C374 VanDerWaalsContact O-N 3.15Å; K372-C374 VanDerWaalsContact C-N 3.32Å; C374-L376 HydrophobicContact CB-CD1 3.84Å; C374-L376 HydrophobicContact CB-CD2 4.04Å; C374-L376 HydrophobicContact CB-CG 3.54Å; C374-L376 PolarHBondContact O-N 3.41Å
375	N	72.5	Confident	81.7	Confident	154 Å²	154	80.6 Å²	80.6	82%	0.824	41%	0.409	S	S	*	.			trans	44	41.7	-175.7	-69.6	-16.4	0	0	0	113.8	Q373	Q373-N375 PolarHBondContact O-N 2.78Å
376	L	73.3	Confident	81.5	Confident	56 Å²	56	76.9 Å²	76.9	29%	0.293	40%	0.402	S	S	.	.			trans	-71.5	150.8	-177.3	-61.8	167.1	0	0	0	111.2	I371 C374 D380 F381 K384	I371-L376 HydrophobicContact CG2-CD1 4.3Å; C374-L376 HydrophobicContact CB-CD1 3.84Å; C374-L376 HydrophobicContact CB-CD2 4.04Å; C374-L376 HydrophobicContact CB-CG 3.54Å; C374-L376 PolarHBondContact O-N 3.41Å; L376-D380 HydrophobicContact CB-CB 4.36Å; L376-F381 HydrophobicContact CB-CB 4.36Å; L376-K384 HydrophobicContact CD1-CD 3.63Å
377	A	77.2	Confident	81.4	Confident	66 Å²	66	81.5 Å²	81.5	55%	0.545	42%	0.423	S	S	.	.			trans	-56.7	147	166	0	0	0	0	0	110.4	D379 D380 F381	A377-D379 PolarHBondContact O-N 2.87Å; A377-D379 VanDerWaalsContact O-N 3.09Å; A377-D380 PolarHBondContact O-N 2.92Å; A377-F381 PolarHBondContact O-N 2.82Å
378	E	77.8	Confident	81.2	Confident	134 Å²	134	82.3 Å²	82.3	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-55.3	-36	-169.4	-153.2	-170.7	144.4	0	0	113.1	K382	E378-K382 VanDerWaalsContact O-CG 3.32Å; E378-K382 WeakPolarHBondContact O-CG 3.48Å; E378-K382 PolarHBondContact O-N 3.42Å; E378-K382 WeakPolarHBondContact OE1-CE 3.47Å; E378-K382 IonicContact OE1-NZ 3.67Å; E378-K382 PolarHBondContact OE1-NZ 3.09Å
379	D	78.8	Confident	81.2	Confident	110 Å²	110	82.2 Å²	82.2	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-68.7	-39.4	177.4	-73.7	-17.9	0	0	0	113.3	A377 K382 K383	A377-D379 PolarHBondContact O-N 2.87Å; A377-D379 VanDerWaalsContact O-N 3.09Å; D379-K382 PolarHBondContact O-N 3.33Å; D379-K383 VanDerWaalsContact O-CG 3.32Å; D379-K383 WeakPolarHBondContact O-CG 3.14Å; D379-K383 PolarHBondContact O-N 3.36Å
380	D	79.3	Confident	81.3	Confident	75 Å²	75	85.6 Å²	85.6	40%	0.401	43%	0.43	S	S	.	.	H	α-helix	trans	-75.6	-33.6	179.1	-70.4	-26.9	0	0	0	111.4	L376 A377 K383 K384	L376-D380 HydrophobicContact CB-CB 4.36Å; A377-D380 PolarHBondContact O-N 2.92Å; D380-K383 PolarHBondContact O-N 3.2Å; D380-K383 IonicContact OD1-NZ 2.81Å; D380-K384 PolarHBondContact O-N 3.4Å
381	F	78.3	Confident	81.4	Confident	74 Å²	74	87.3 Å²	87.3	33%	0.325	44%	0.437	S	S	.	.	H	α-helix	trans	-59.6	-48.4	168.7	-176.7	-92.2	0	0	0	110.8	I371 K372 L376 A377 K383 K384 S385	I371-F381 HydrophobicContact CB-CE2 4.44Å; I371-F381 HydrophobicContact CG2-CD2 3.61Å; I371-F381 HydrophobicContact CG2-CE2 3.59Å; K372-F381 HydrophobicContact CG-CE2 4.21Å; K372-F381 HydrophobicContact CG-CZ 4.48Å; L376-F381 HydrophobicContact CB-CB 4.36Å; A377-F381 PolarHBondContact O-N 2.82Å; F381-K383 PolarHBondContact O-N 3.01Å; F381-K384 PolarHBondContact O-N 3.32Å; F381-S385 VanDerWaalsContact O-CB 3.27Å; F381-S385 WeakPolarHBondContact O-CB 3.39Å; F381-S385 PolarHBondContact O-N 2.89Å
382	K	82.1	Confident	81.6	Confident	102 Å²	102	87.6 Å²	87.6	44%	0.443	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.9	-76	171.3	-173.4	163.5	0	112.1	E378 D379 S385 N386	E378-K382 VanDerWaalsContact O-CG 3.32Å; E378-K382 WeakPolarHBondContact O-CG 3.48Å; E378-K382 PolarHBondContact O-N 3.42Å; E378-K382 WeakPolarHBondContact OE1-CE 3.47Å; E378-K382 IonicContact OE1-NZ 3.67Å; E378-K382 PolarHBondContact OE1-NZ 3.09Å; D379-K382 PolarHBondContact O-N 3.33Å; K382-S385 PolarHBondContact O-N 3.35Å; K382-N386 WeakPolarHBondContact O-CB 3.38Å; K382-N386 PolarHBondContact O-N 2.86Å; K382-N386 PolarHBondContact O-ND2 2.64Å
383	K	83.3	Confident	81.7	Confident	136 Å²	136	86.1 Å²	86.1	59%	0.591	43%	0.434	S	S	*	.	H	α-helix	trans	-61.8	-45.7	177.3	-73.9	171.7	-169.2	164.4	0	112.6	D379 D380 F381 N386 K387	D379-K383 VanDerWaalsContact O-CG 3.32Å; D379-K383 WeakPolarHBondContact O-CG 3.14Å; D379-K383 PolarHBondContact O-N 3.36Å; D380-K383 PolarHBondContact O-N 3.2Å; D380-K383 IonicContact OD1-NZ 2.81Å; F381-K383 PolarHBondContact O-N 3.01Å; K383-N386 PolarHBondContact O-N 2.93Å; K383-K387 PolarHBondContact O-N 3.27Å
384	K	80	Confident	81.8	Confident	81 Å²	81	86.5 Å²	86.5	35%	0.352	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-45.1	176.5	-82.5	-174.1	-175.4	174.5	0	111.3	L376 D380 F381 N386 K387 I388	L376-K384 HydrophobicContact CD1-CD 3.63Å; D380-K384 PolarHBondContact O-N 3.4Å; F381-K384 PolarHBondContact O-N 3.32Å; K384-N386 VanDerWaalsContact C-N 3.31Å; K384-N386 PolarHBondContact O-N 3.05Å; K384-K387 WeakPolarHBondContact O-CB 3.34Å; K384-K387 PolarHBondContact O-N 3.01Å; K384-K387 VanDerWaalsContact O-N 3.1Å; K384-I388 VanDerWaalsContact O-CD1 3.27Å; K384-I388 WeakPolarHBondContact O-CD1 3.49Å; K384-I388 WeakPolarHBondContact O-CG1 3.45Å; K384-I388 PolarHBondContact O-N 2.94Å
385	S	82.1	Confident	82.5	Confident	55 Å²	55	85.4 Å²	85.4	39%	0.385	43%	0.432	S	S	.	.	H	α-helix	trans	-56.4	-45.4	176.2	-170	0	0	0	0	111.7	F381 K382 K387 I388 S389	F381-S385 VanDerWaalsContact O-CB 3.27Å; F381-S385 WeakPolarHBondContact O-CB 3.39Å; F381-S385 PolarHBondContact O-N 2.89Å; K382-S385 PolarHBondContact O-N 3.35Å; S385-K387 PolarHBondContact O-N 3.1Å; S385-I388 WeakPolarHBondContact O-CB 3.33Å; S385-I388 PolarHBondContact O-N 3.23Å; S385-I388 VanDerWaalsContact O-N 3.12Å; S385-S389 PolarHBondContact O-N 3.43Å
386	N	85.6	Confident	83.4	Confident	98 Å²	98	81.8 Å²	81.8	52%	0.524	41%	0.41	S	S	.	.	H	α-helix	trans	-64.2	-37.2	176	-71.9	-13	0	0	0	112.9	K382 K383 K384 I388 S389 K390	K382-N386 WeakPolarHBondContact O-CB 3.38Å; K382-N386 PolarHBondContact O-N 2.86Å; K382-N386 PolarHBondContact O-ND2 2.64Å; K383-N386 PolarHBondContact O-N 2.93Å; K384-N386 VanDerWaalsContact C-N 3.31Å; K384-N386 PolarHBondContact O-N 3.05Å; N386-I388 PolarHBondContact O-N 3.08Å; N386-S389 PolarHBondContact O-N 3.4Å; N386-K390 WeakPolarHBondContact O-CB 3.49Å; N386-K390 WeakPolarHBondContact O-CG 3.33Å; N386-K390 PolarHBondContact O-N 3.46Å
387	K	85.6	Confident	84.3	Confident	138 Å²	138	79.2 Å²	79.2	60%	0.6	40%	0.397	S	S	*	.	H	α-helix	trans	-62.5	-35.5	174.7	-172	179.8	-179.2	-176.7	0	111.4	F269 K383 K384 S385 F391	F269-K387 HydrophobicContact CE1-CD 4.13Å; F269-K387 HydrophobicContact CE1-CG 4.26Å; K383-K387 PolarHBondContact O-N 3.27Å; K384-K387 WeakPolarHBondContact O-CB 3.34Å; K384-K387 PolarHBondContact O-N 3.01Å; K384-K387 VanDerWaalsContact O-N 3.1Å; S385-K387 PolarHBondContact O-N 3.1Å; K387-F391 PolarHBondContact O-N 3.38Å; K387-F391 VanDerWaalsContact O-N 3.11Å
388	I	85.5	Confident	85.1	Confident	18 Å²	18	77.7 Å²	77.7	9%	0.092	38%	0.381	C	S	.	.	H	α-helix	trans	-76	-42.9	179.5	-68	153	0	0	0	111.4	F269 I367 I371 K384 S385 N386 K390 F391 F392	F269-I388 HydrophobicContact CD1-CG1 4.47Å; F269-I388 HydrophobicContact CD2-CD1 4.33Å; F269-I388 HydrophobicContact CD2-CG1 3.59Å; F269-I388 HydrophobicContact CE1-CG1 4.37Å; F269-I388 HydrophobicContact CE2-CB 4.22Å; F269-I388 HydrophobicContact CE2-CG1 3.47Å; F269-I388 VanDerWaalsContact CE2-CG1 3.47Å; F269-I388 HydrophobicContact CE2-CG2 4.39Å; F269-I388 HydrophobicContact CG-CG1 4.1Å; F269-I388 HydrophobicContact CZ-CG1 3.88Å; I367-I388 HydrophobicContact CG2-CD1 3.62Å; I367-I388 HydrophobicContact CG2-CG1 4.1Å; I367-I388 HydrophobicContact CG2-CG2 4.16Å; I371-I388 HydrophobicContact CD1-CD1 2.96Å; I371-I388 HydrophobicContact CD1-CG1 4.4Å; I371-I388 HydrophobicContact CG1-CD1 4.31Å; K384-I388 VanDerWaalsContact O-CD1 3.27Å; K384-I388 WeakPolarHBondContact O-CD1 3.49Å; K384-I388 WeakPolarHBondContact O-CG1 3.45Å; K384-I388 PolarHBondContact O-N 2.94Å; S385-I388 WeakPolarHBondContact O-CB 3.33Å; S385-I388 PolarHBondContact O-N 3.23Å; S385-I388 VanDerWaalsContact O-N 3.12Å; N386-I388 PolarHBondContact O-N 3.08Å; I388-K390 VanDerWaalsContact C-N 3.32Å; I388-K390 PolarHBondContact O-N 3.02Å; I388-F391 WeakPolarHBondContact O-CB 3.3Å; I388-F391 PolarHBondContact O-N 2.98Å; I388-F392 HydrophobicContact CG2-CD2 3.81Å; I388-F392 HydrophobicContact CG2-CE2 3.49Å; I388-F392 VanDerWaalsContact CG2-CE2 3.49Å; I388-F392 VanDerWaalsContact O-CD2 3.22Å; I388-F392 WeakPolarHBondContact O-CD2 3.47Å; I388-F392 PolarHBondContact O-N 3.06Å; I388-F392 VanDerWaalsContact O-N 3.09Å
389	S	85.7	Confident	85.7	Confident	56 Å²	56	74.3 Å²	74.3	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	-55.1	-50.4	172.8	-164.4	0	0	0	0	110.7	S385 N386 F391 F392 E393	S385-S389 PolarHBondContact O-N 3.43Å; N386-S389 PolarHBondContact O-N 3.4Å; S389-F391 PolarHBondContact O-N 3.36Å; S389-F392 PolarHBondContact O-N 3.35Å; S389-F392 VanDerWaalsContact O-N 3.11Å; S389-E393 WeakPolarHBondContact O-CG 3.3Å; S389-E393 PolarHBondContact O-N 2.96Å; S389-E393 PolarHBondContact OG-OE1 3.23Å
390	K	87.9	Confident	86.4	Confident	131 Å²	131	69.8 Å²	69.8	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-60.6	-30.8	176.3	-72.1	-179.5	179.7	-173.1	0	113.6	N386 I388 N394	N386-K390 WeakPolarHBondContact O-CB 3.49Å; N386-K390 WeakPolarHBondContact O-CG 3.33Å; N386-K390 PolarHBondContact O-N 3.46Å; I388-K390 VanDerWaalsContact C-N 3.32Å; I388-K390 PolarHBondContact O-N 3.02Å; K390-N394 PolarHBondContact O-N 2.9Å; K390-N394 PolarHBondContact O-ND2 3.42Å
391	F	88.6	Confident	87	Confident	40 Å²	40	66.3 Å²	66.3	18%	0.175	33%	0.328	C	S	.	.	H	α-helix	trans	-67.8	-45.3	175.6	174.9	-97.5	0	0	0	111.2	F269 H276 K387 I388 S389 N394 S395	F269-F391 HydrophobicContact CE2-CB 4.13Å; F269-F391 HydrophobicContact CE2-CD1 4.17Å; F269-F391 HydrophobicContact CE2-CG 4.1Å; F269-F391 HydrophobicContact CZ-CB 3.95Å; F269-F391 HydrophobicContact CZ-CG 4.13Å; H276-F391 HydrophobicContact CB-CE1 4.13Å; H276-F391 HydrophobicContact CB-CZ 3.89Å; H276-F391 AromaticContact CD2-CE1 3.79Å; H276-F391 AromaticContact CD2-CZ 3.61Å; H276-F391 AromaticContact CG-CE1 3.89Å; H276-F391 AromaticContact CG-CZ 3.9Å; K387-F391 PolarHBondContact O-N 3.38Å; K387-F391 VanDerWaalsContact O-N 3.11Å; I388-F391 WeakPolarHBondContact O-CB 3.3Å; I388-F391 PolarHBondContact O-N 2.98Å; S389-F391 PolarHBondContact O-N 3.36Å; F391-N394 PolarHBondContact O-N 3.09Å; F391-S395 PolarHBondContact O-N 3.35Å
392	F	87.4	Confident	87.7	Confident	16 Å²	16	67 Å²	67	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-71.5	-33.9	176.9	-71.1	-67.8	0	0	0	113.2	L360 I363 Q364 I367 I388 S389 N394 S395 V398	L360-F392 HydrophobicContact CD2-CD1 4.34Å; L360-F392 HydrophobicContact CD2-CE1 4.38Å; I363-F392 HydrophobicContact CG2-CE1 4.28Å; I363-F392 HydrophobicContact CG2-CZ 3.9Å; Q364-F392 HydrophobicContact CG-CD1 4.36Å; Q364-F392 HydrophobicContact CG-CD2 4.03Å; Q364-F392 HydrophobicContact CG-CE1 3.91Å; Q364-F392 HydrophobicContact CG-CE2 3.53Å; Q364-F392 HydrophobicContact CG-CG 4.43Å; Q364-F392 HydrophobicContact CG-CZ 3.49Å; Q364-F392 VanDerWaalsContact CG-CZ 3.49Å; I367-F392 HydrophobicContact CD1-CE2 4.19Å; I367-F392 HydrophobicContact CD1-CZ 3.88Å; I388-F392 HydrophobicContact CG2-CD2 3.81Å; I388-F392 HydrophobicContact CG2-CE2 3.49Å; I388-F392 VanDerWaalsContact CG2-CE2 3.49Å; I388-F392 VanDerWaalsContact O-CD2 3.22Å; I388-F392 WeakPolarHBondContact O-CD2 3.47Å; I388-F392 PolarHBondContact O-N 3.06Å; I388-F392 VanDerWaalsContact O-N 3.09Å; S389-F392 PolarHBondContact O-N 3.35Å; S389-F392 VanDerWaalsContact O-N 3.11Å; F392-N394 PolarHBondContact O-N 3.39Å; F392-S395 WeakPolarHBondContact O-CB 3.15Å; F392-S395 PolarHBondContact O-N 2.57Å; F392-S395 VanDerWaalsContact O-N 3.14Å; F392-V398 WeakPolarHBondContact O-CG2 3.48Å
393	E	84.5	Confident	88.3	Confident	117 Å²	117	65.2 Å²	65.2	55%	0.547	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-34.1	173.3	-73.8	161.2	-150.1	0	0	112	S389	S389-E393 WeakPolarHBondContact O-CG 3.3Å; S389-E393 PolarHBondContact O-N 2.96Å; S389-E393 PolarHBondContact OG-OE1 3.23Å
394	N	86.8	Confident	88.8	Confident	134 Å²	134	58.8 Å²	58.8	72%	0.717	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.2	177.4	-67.1	-53.7	0	0	0	113.6	K390 F391 F392	K390-N394 PolarHBondContact O-N 2.9Å; K390-N394 PolarHBondContact O-ND2 3.42Å; F391-N394 PolarHBondContact O-N 3.09Å; F392-N394 PolarHBondContact O-N 3.39Å
395	S	91.1	Very high	89.5	Confident	2 Å²	2	55 Å²	55	1%	0.014	28%	0.283	C	S	.	.			trans	-71.5	129.8	-179	167.5	0	0	0	0	110.9	H276 D280 F391 F392 L397 V398 C399	H276-S395 PolarHBondContact CE1-OG 3.1Å; H276-S395 PolarHBondContact NE2-OG 3.43Å; D280-S395 PolarHBondContact OD1-OG 3.24Å; F391-S395 PolarHBondContact O-N 3.35Å; F392-S395 WeakPolarHBondContact O-CB 3.15Å; F392-S395 PolarHBondContact O-N 2.57Å; F392-S395 VanDerWaalsContact O-N 3.14Å; S395-L397 VanDerWaalsContact C-N 3.33Å; S395-L397 PolarHBondContact OG-N 2.97Å; S395-V398 PolarHBondContact O-N 3.41Å; S395-V398 PolarHBondContact OG-N 2.85Å; S395-C399 PolarHBondContact O-N 2.9Å; S395-C399 PolarHBondContact O-SG 3.06Å; S395-C399 VanDerWaalsContact O-SG 3.33Å
396	Q	91.4	Very high	90	Very high	79 Å²	79	55.4 Å²	55.4	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-68.6	-36.2	178.2	-173.2	65	33	0	0	111	D280 K284 V398 C399 Q400	D280-Q396 HydrophobicContact CB-CB 3.92Å; D280-Q396 PolarHBondContact OD2-N 3.46Å; D280-Q396 VanDerWaalsContact OD2-N 3.11Å; K284-Q396 HydrophobicContact CD-CG 4.18Å; Q396-V398 VanDerWaalsContact C-N 3.33Å; Q396-V398 PolarHBondContact O-N 3.1Å; Q396-C399 WeakPolarHBondContact O-CB 3.37Å; Q396-C399 PolarHBondContact O-N 3.21Å; Q396-Q400 WeakPolarHBondContact O-CG 3.45Å; Q396-Q400 PolarHBondContact O-N 3.12Å
397	L	92.2	Very high	90.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-43.9	175.1	179.7	62.2	0	0	0	111.2	V279 D280 V283 Y359 L360 S395 C399 Q400 V401	V279-L397 HydrophobicContact CG1-CD2 4.24Å; D280-L397 WeakPolarHBondContact OD1-CB 3.41Å; D280-L397 PolarHBondContact OD1-N 3.3Å; V283-L397 HydrophobicContact CB-CD1 4.1Å; V283-L397 HydrophobicContact CG1-CD1 3.56Å; V283-L397 HydrophobicContact CG2-CD1 4.38Å; Y359-L397 HydrophobicContact CD1-CD2 3.64Å; Y359-L397 HydrophobicContact CE1-CD2 3.81Å; L360-L397 HydrophobicContact CD1-CD2 4.47Å; L360-L397 HydrophobicContact CD1-CG 4.44Å; L360-L397 HydrophobicContact CD2-CD2 3.94Å; L360-L397 HydrophobicContact CD2-CG 4.44Å; L360-L397 HydrophobicContact CG-CD2 4.04Å; S395-L397 VanDerWaalsContact C-N 3.33Å; S395-L397 PolarHBondContact OG-N 2.97Å; L397-C399 VanDerWaalsContact C-N 3.33Å; L397-C399 PolarHBondContact O-N 3.38Å; L397-Q400 PolarHBondContact O-N 2.95Å; L397-V401 HydrophobicContact CD1-CG2 4.39Å; L397-V401 WeakPolarHBondContact O-CG2 3.36Å; L397-V401 PolarHBondContact O-N 2.99Å
398	V	92.3	Very high	90.8	Very high	35 Å²	35	44.9 Å²	44.9	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-45.9	177	173.6	0	0	0	0	110.2	L360 F392 S395 Q396 Q400 V401 Q402	L360-V398 HydrophobicContact CD1-CG2 3.92Å; L360-V398 HydrophobicContact CD2-CG2 3.9Å; F392-V398 WeakPolarHBondContact O-CG2 3.48Å; S395-V398 PolarHBondContact O-N 3.41Å; S395-V398 PolarHBondContact OG-N 2.85Å; Q396-V398 VanDerWaalsContact C-N 3.33Å; Q396-V398 PolarHBondContact O-N 3.1Å; V398-Q400 VanDerWaalsContact C-N 3.3Å; V398-Q400 PolarHBondContact O-N 3.39Å; V398-V401 PolarHBondContact O-N 3.03Å; V398-Q402 WeakPolarHBondContact O-CG 3.47Å; V398-Q402 PolarHBondContact O-N 3.39Å; V398-Q402 VanDerWaalsContact O-N 3.07Å
399	C	92.2	Very high	91.2	Very high	63 Å²	63	45.3 Å²	45.3	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-39.5	176.3	-64.6	0	0	0	0	112.4	S395 Q396 L397 Q402 D403	S395-C399 PolarHBondContact O-N 2.9Å; S395-C399 PolarHBondContact O-SG 3.06Å; S395-C399 VanDerWaalsContact O-SG 3.33Å; Q396-C399 WeakPolarHBondContact O-CB 3.37Å; Q396-C399 PolarHBondContact O-N 3.21Å; L397-C399 VanDerWaalsContact C-N 3.33Å; L397-C399 PolarHBondContact O-N 3.38Å; C399-Q402 PolarHBondContact O-N 3.02Å; C399-D403 PolarHBondContact O-N 2.92Å
400	Q	91.8	Very high	91.6	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-39.9	178.5	-76.1	177.9	-21	0	0	113	Q396 L397 V398 Q402 D403 L404	Q396-Q400 WeakPolarHBondContact O-CG 3.45Å; Q396-Q400 PolarHBondContact O-N 3.12Å; L397-Q400 PolarHBondContact O-N 2.95Å; V398-Q400 VanDerWaalsContact C-N 3.3Å; V398-Q400 PolarHBondContact O-N 3.39Å; Q400-Q402 VanDerWaalsContact C-N 3.29Å; Q400-Q402 PolarHBondContact O-N 3.37Å; Q400-D403 PolarHBondContact O-N 3.49Å; Q400-L404 WeakPolarHBondContact O-CB 3.39Å; Q400-L404 VanDerWaalsContact O-CG 3.28Å; Q400-L404 WeakPolarHBondContact O-CG 3.37Å; Q400-L404 PolarHBondContact O-N 3.4Å
401	V	93.7	Very high	91.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-42.5	173.6	172	0	0	0	0	110	I353 E357 L360 L397 V398 D403 L404 L405	I353-V401 HydrophobicContact CG2-CG1 4.44Å; E357-V401 HydrophobicContact CG-CG1 4.27Å; L360-V401 HydrophobicContact CD1-CG2 4.48Å; L397-V401 HydrophobicContact CD1-CG2 4.39Å; L397-V401 WeakPolarHBondContact O-CG2 3.36Å; L397-V401 PolarHBondContact O-N 2.99Å; V398-V401 PolarHBondContact O-N 3.03Å; V401-D403 PolarHBondContact O-N 3.37Å; V401-L404 PolarHBondContact O-N 3.19Å; V401-L405 HydrophobicContact CG1-CD1 3.9Å; V401-L405 HydrophobicContact CG1-CG 4.29Å; V401-L405 WeakPolarHBondContact O-CB 3.5Å; V401-L405 WeakPolarHBondContact O-CG 2.77Å; V401-L405 PolarHBondContact O-N 3.15Å
402	Q	92.8	Very high	92.1	Very high	89 Å²	89	36.3 Å²	36.3	42%	0.416	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-39.5	176.9	-66.2	-58.1	-37.5	0	0	113.2	V398 C399 Q400 S406	V398-Q402 WeakPolarHBondContact O-CG 3.47Å; V398-Q402 PolarHBondContact O-N 3.39Å; V398-Q402 VanDerWaalsContact O-N 3.07Å; C399-Q402 PolarHBondContact O-N 3.02Å; Q400-Q402 VanDerWaalsContact C-N 3.29Å; Q400-Q402 PolarHBondContact O-N 3.37Å; Q402-S406 PolarHBondContact O-N 3.05Å; Q402-S406 PolarHBondContact O-OG 3.2Å
403	D	93	Very high	92.4	Very high	64 Å²	64	37.5 Å²	37.5	34%	0.342	20%	0.199	S	C	.	.	H	α-helix	trans	-67.9	-41.8	174.8	-172.5	30.5	0	0	0	111.9	Y291 C399 Q400 V401 S406 K407	Y291-D403 PolarHBondContact OH-OD2 2.89Å; C399-D403 PolarHBondContact O-N 2.92Å; Q400-D403 PolarHBondContact O-N 3.49Å; V401-D403 PolarHBondContact O-N 3.37Å; D403-S406 WeakPolarHBondContact O-CB 3.36Å; D403-S406 PolarHBondContact O-N 3.01Å; D403-K407 WeakPolarHBondContact O-CG 3.34Å; D403-K407 PolarHBondContact O-N 2.91Å; D403-K407 IonicContact OD1-NZ 2.99Å; D403-K407 PolarHBondContact OD1-NZ 3.35Å; D403-K407 IonicContact OD2-NZ 3.4Å; D403-K407 PolarHBondContact OD2-NZ 2.91Å
404	L	94.2	Very high	92.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-44.2	173.5	-75.9	165.7	0	0	0	112	V287 F290 Y291 T349 I352 I353 Q400 V401 S406 K407 Y408	V287-L404 HydrophobicContact CG1-CD1 4.42Å; V287-L404 HydrophobicContact CG1-CD2 4.41Å; V287-L404 HydrophobicContact CG1-CG 4.5Å; V287-L404 HydrophobicContact CG2-CD1 4.3Å; F290-L404 HydrophobicContact CD1-CD2 4.48Å; F290-L404 HydrophobicContact CE1-CD2 4.32Å; Y291-L404 HydrophobicContact CE1-CD2 3.57Å; Y291-L404 HydrophobicContact CE1-CG 4.43Å; Y291-L404 WeakPolarHBondContact OH-CD2 3.44Å; Y291-L404 WeakPolarHBondContact OH-CG 3.49Å; T349-L404 HydrophobicContact CG2-CB 4.48Å; T349-L404 HydrophobicContact CG2-CD2 4.03Å; I352-L404 HydrophobicContact CG2-CD1 3.6Å; I353-L404 HydrophobicContact CD1-CB 4Å; I353-L404 HydrophobicContact CG1-CB 3.73Å; I353-L404 HydrophobicContact CG1-CD1 4.48Å; Q400-L404 WeakPolarHBondContact O-CB 3.39Å; Q400-L404 VanDerWaalsContact O-CG 3.28Å; Q400-L404 WeakPolarHBondContact O-CG 3.37Å; Q400-L404 PolarHBondContact O-N 3.4Å; V401-L404 PolarHBondContact O-N 3.19Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 PolarHBondContact O-N 3.33Å; L404-K407 PolarHBondContact O-N 2.6Å; L404-Y408 VanDerWaalsContact O-CB 3.29Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 PolarHBondContact O-N 2.89Å
405	L	95	Very high	93	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-42.4	175.9	-74.5	166.6	0	0	0	111.1	I353 V401 K407 Y408 L409 N458 T461	I353-L405 HydrophobicContact CD1-CD2 3.93Å; I353-L405 HydrophobicContact CD1-CG 4.22Å; I353-L405 HydrophobicContact CG1-CD2 4.4Å; I353-L405 HydrophobicContact CG1-CG 4.47Å; I353-L405 HydrophobicContact CG2-CD2 3.62Å; I353-L405 HydrophobicContact CG2-CG 4.18Å; V401-L405 HydrophobicContact CG1-CD1 3.9Å; V401-L405 HydrophobicContact CG1-CG 4.29Å; V401-L405 WeakPolarHBondContact O-CB 3.5Å; V401-L405 WeakPolarHBondContact O-CG 2.77Å; V401-L405 PolarHBondContact O-N 3.15Å; L405-K407 PolarHBondContact O-N 2.68Å; L405-Y408 PolarHBondContact O-N 3.44Å; L405-L409 WeakPolarHBondContact O-CB 3.31Å; L405-L409 WeakPolarHBondContact O-CG 3.35Å; L405-L409 PolarHBondContact O-N 3.45Å; L405-N458 HydrophobicContact CD1-CB 4.1Å; L405-N458 HydrophobicContact CD2-CB 4.19Å; L405-T461 HydrophobicContact CD2-CG2 3.89Å; L405-T461 WeakPolarHBondContact CD2-OG1 3.4Å
406	S	93.2	Very high	93.2	Very high	63 Å²	63	26.6 Å²	26.6	44%	0.441	14%	0.143	S	C	.	.	H	α-helix	trans	-62.5	-43.4	176.5	-61.5	0	0	0	0	111.8	Q402 D403 L404 N410	Q402-S406 PolarHBondContact O-N 3.05Å; Q402-S406 PolarHBondContact O-OG 3.2Å; D403-S406 WeakPolarHBondContact O-CB 3.36Å; D403-S406 PolarHBondContact O-N 3.01Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 PolarHBondContact O-N 3.33Å; S406-N410 PolarHBondContact O-N 3.27Å; S406-N410 PolarHBondContact O-ND2 3.31Å
407	K	92.5	Very high	93.3	Very high	15 Å²	15	24.3 Å²	24.3	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-45.4	176.1	-71.8	173.6	166.5	75.1	0	111.6	Y291 D297 D403 L404 L405 L409 N410 L411	Y291-K407 HydrophobicContact CE1-CD 3.92Å; D297-K407 WeakPolarHBondContact OD1-CE 3.42Å; D297-K407 IonicContact OD1-NZ 3.84Å; D297-K407 PolarHBondContact OD1-NZ 3.42Å; D297-K407 VanDerWaalsContact OD1-NZ 3.15Å; D403-K407 WeakPolarHBondContact O-CG 3.34Å; D403-K407 PolarHBondContact O-N 2.91Å; D403-K407 IonicContact OD1-NZ 2.99Å; D403-K407 PolarHBondContact OD1-NZ 3.35Å; D403-K407 IonicContact OD2-NZ 3.4Å; D403-K407 PolarHBondContact OD2-NZ 2.91Å; L404-K407 PolarHBondContact O-N 2.6Å; L405-K407 PolarHBondContact O-N 2.68Å; K407-L409 PolarHBondContact O-N 3.33Å; K407-N410 PolarHBondContact O-N 3.2Å; K407-L411 WeakPolarHBondContact O-CG 3.32Å; K407-L411 PolarHBondContact O-N 3.05Å
408	Y	95.1	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-52.8	-50.9	174.2	165.7	-101.1	0	0	0	111.5	I346 L350 I353 L404 L405 N410 L411 E412 S453 T461	I346-Y408 HydrophobicContact CG2-CD2 4.13Å; I346-Y408 HydrophobicContact CG2-CE2 3.74Å; L350-Y408 HydrophobicContact CB-CD2 4.37Å; L350-Y408 HydrophobicContact CB-CE2 4.25Å; L350-Y408 HydrophobicContact CD1-CE2 4.14Å; L350-Y408 HydrophobicContact CD2-CE2 4.14Å; L350-Y408 HydrophobicContact CG-CE2 4.44Å; I353-Y408 HydrophobicContact CD1-CG 4.37Å; L404-Y408 VanDerWaalsContact O-CB 3.29Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 PolarHBondContact O-N 2.89Å; L405-Y408 PolarHBondContact O-N 3.44Å; Y408-N410 VanDerWaalsContact C-N 3.31Å; Y408-N410 PolarHBondContact O-N 3.34Å; Y408-L411 PolarHBondContact O-N 3.48Å; Y408-L411 VanDerWaalsContact O-N 3.11Å; Y408-E412 HydrophobicContact CE1-CB 4.49Å; Y408-E412 HydrophobicContact CE2-CB 4.16Å; Y408-E412 HydrophobicContact CE2-CG 4.41Å; Y408-E412 WeakPolarHBondContact CE2-OE2 3.38Å; Y408-E412 WeakPolarHBondContact O-CB 3.38Å; Y408-E412 PolarHBondContact O-N 2.9Å; Y408-E412 PolarHBondContact OH-OE2 3.18Å; Y408-S453 WeakPolarHBondContact OH-CA 3.5Å; Y408-S453 PolarHBondContact OH-N 3.32Å; Y408-T461 HydrophobicContact CD1-CG2 3.92Å; Y408-T461 HydrophobicContact CE1-CG2 3.9Å
409	L	94.7	Very high	93.2	Very high	27 Å²	27	24.4 Å²	24.4	14%	0.141	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-42.3	179.3	-77.9	169.9	0	0	0	112.4	L405 K407 Q413 T461 A464 M465	L405-L409 WeakPolarHBondContact O-CB 3.31Å; L405-L409 WeakPolarHBondContact O-CG 3.35Å; L405-L409 PolarHBondContact O-N 3.45Å; K407-L409 PolarHBondContact O-N 3.33Å; L409-Q413 WeakPolarHBondContact O-CB 3.48Å; L409-Q413 PolarHBondContact O-N 2.85Å; L409-T461 HydrophobicContact CD1-CG2 4.27Å; L409-T461 HydrophobicContact CD2-CG2 3.79Å; L409-T461 HydrophobicContact CG-CG2 3.95Å; L409-A464 HydrophobicContact CD1-CB 3.92Å; L409-A464 HydrophobicContact CD2-CB 3.89Å; L409-M465 HydrophobicContact CD2-CB 4.24Å
410	N	92.4	Very high	93.3	Very high	37 Å²	37	21.4 Å²	21.4	20%	0.198	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-41.3	176.9	-71.5	-64.4	0	0	0	111.9	K304 S406 K407 Y408 Y414	K304-N410 WeakPolarHBondContact CE-OD1 3.32Å; S406-N410 PolarHBondContact O-N 3.27Å; S406-N410 PolarHBondContact O-ND2 3.31Å; K407-N410 PolarHBondContact O-N 3.2Å; Y408-N410 VanDerWaalsContact C-N 3.31Å; Y408-N410 PolarHBondContact O-N 3.34Å; N410-Y414 WeakPolarHBondContact O-CB 3.06Å; N410-Y414 PolarHBondContact O-N 2.9Å
411	L	92.5	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-48.1	179.1	-66.6	172.5	0	0	0	111.6	L296 L303 I342 I345 I346 K407 Y408 Y414 Y415	L296-L411 HydrophobicContact CD2-CD1 4.47Å; L303-L411 HydrophobicContact CD1-CD2 3.55Å; I342-L411 HydrophobicContact CG2-CB 4.37Å; I342-L411 HydrophobicContact CG2-CD2 4.26Å; I345-L411 HydrophobicContact CG2-CD1 3.98Å; I346-L411 HydrophobicContact CD1-CB 4.09Å; I346-L411 HydrophobicContact CG1-CB 3.66Å; I346-L411 HydrophobicContact CG1-CD1 4.46Å; K407-L411 WeakPolarHBondContact O-CG 3.32Å; K407-L411 PolarHBondContact O-N 3.05Å; Y408-L411 PolarHBondContact O-N 3.48Å; Y408-L411 VanDerWaalsContact O-N 3.11Å; L411-Y414 PolarHBondContact O-N 3.37Å; L411-Y415 WeakPolarHBondContact O-CB 3.35Å; L411-Y415 PolarHBondContact O-N 3.28Å
412	E	94.7	Very high	93.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-179.5	-167.3	80.5	-130.7	0	0	111.2	I346 Y408 Y414 Y415 L416 S449 R452 M465	I346-E412 WeakPolarHBondContact CG2-OE2 3.31Å; Y408-E412 HydrophobicContact CE1-CB 4.49Å; Y408-E412 HydrophobicContact CE2-CB 4.16Å; Y408-E412 HydrophobicContact CE2-CG 4.41Å; Y408-E412 WeakPolarHBondContact CE2-OE2 3.38Å; Y408-E412 WeakPolarHBondContact O-CB 3.38Å; Y408-E412 PolarHBondContact O-N 2.9Å; Y408-E412 PolarHBondContact OH-OE2 3.18Å; E412-Y414 VanDerWaalsContact C-N 3.34Å; E412-Y414 PolarHBondContact O-N 2.83Å; E412-Y415 PolarHBondContact O-N 3.2Å; E412-L416 VanDerWaalsContact O-CB 3.3Å; E412-L416 WeakPolarHBondContact O-CB 3.5Å; E412-L416 PolarHBondContact O-N 3.32Å; E412-S449 WeakPolarHBondContact OE1-CA 3.35Å; E412-S449 VanDerWaalsContact OE1-CB 3.3Å; E412-S449 WeakPolarHBondContact OE1-CB 3.46Å; E412-S449 PolarHBondContact OE1-OG 3.46Å; E412-R452 IonicContact OE1-CZ 3.74Å; E412-R452 IonicContact OE1-NE 2.68Å; E412-R452 IonicContact OE1-NH1 3.18Å; E412-R452 IonicContact OE1-NH2 2.82Å; E412-M465 HydrophobicContact CB-CE 4.42Å; E412-M465 HydrophobicContact CB-SD 3.95Å; E412-M465 HydrophobicContact CG-CE 3.69Å; E412-M465 HydrophobicContact CG-CG 4.43Å; E412-M465 HydrophobicContact CG-SD 3.57Å; E412-M465 VanDerWaalsContact CG-SD 3.57Å
413	Q	93.8	Very high	93.1	Very high	41 Å²	41	25.4 Å²	25.4	19%	0.192	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-46.2	174.4	-176	-172.1	37.2	0	0	111.4	L409 R417 H468 I472	L409-Q413 WeakPolarHBondContact O-CB 3.48Å; L409-Q413 PolarHBondContact O-N 2.85Å; Q413-R417 WeakPolarHBondContact O-CB 3.48Å; Q413-R417 PolarHBondContact O-N 3.37Å; Q413-H468 HydrophobicContact CG-CB 4.21Å; Q413-H468 PolarHBondContact NE2-ND1 2.91Å; Q413-I472 HydrophobicContact CG-CD1 4.07Å
414	Y	91.4	Very high	93	Very high	12 Å²	12	23.3 Å²	23.3	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-45.9	178.2	176.4	-94.5	0	0	0	112	L303 I342 N410 L411 E412 L416 R417 V418	L303-Y414 HydrophobicContact CB-CD2 4.47Å; L303-Y414 HydrophobicContact CD2-CD1 3.5Å; L303-Y414 HydrophobicContact CD2-CD2 3.44Å; L303-Y414 VanDerWaalsContact CD2-CD2 3.44Å; L303-Y414 HydrophobicContact CD2-CE1 3.55Å; L303-Y414 HydrophobicContact CD2-CE2 3.47Å; L303-Y414 VanDerWaalsContact CD2-CE2 3.47Å; L303-Y414 HydrophobicContact CD2-CG 3.44Å; L303-Y414 VanDerWaalsContact CD2-CG 3.44Å; L303-Y414 HydrophobicContact CG-CD2 4.48Å; L303-Y414 HydrophobicContact CG-CG 4.4Å; I342-Y414 HydrophobicContact CD1-CD1 3.67Å; I342-Y414 HydrophobicContact CD1-CE1 3.53Å; N410-Y414 WeakPolarHBondContact O-CB 3.06Å; N410-Y414 PolarHBondContact O-N 2.9Å; L411-Y414 PolarHBondContact O-N 3.37Å; E412-Y414 VanDerWaalsContact C-N 3.34Å; E412-Y414 PolarHBondContact O-N 2.83Å; Y414-L416 VanDerWaalsContact C-N 3.33Å; Y414-L416 PolarHBondContact O-N 3.07Å; Y414-R417 PolarHBondContact O-N 2.64Å; Y414-V418 HydrophobicContact CD1-CG2 4.14Å; Y414-V418 HydrophobicContact CD2-CG2 4.16Å; Y414-V418 HydrophobicContact CE1-CG2 3.71Å; Y414-V418 HydrophobicContact CE2-CG2 3.74Å; Y414-V418 HydrophobicContact CG-CG2 4.36Å; Y414-V418 WeakPolarHBondContact O-CG2 3.21Å; Y414-V418 PolarHBondContact O-N 3.24Å
415	Y	93.2	Very high	92.7	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-54.9	-50.2	176.6	168.4	-86.8	0	0	0	110.5	V339 E343 I346 L411 E412 R417 V418 T419	V339-Y415 HydrophobicContact CG1-CD2 3.87Å; V339-Y415 HydrophobicContact CG1-CE2 3.77Å; E343-Y415 HydrophobicContact CB-CD2 4.22Å; E343-Y415 HydrophobicContact CB-CE2 3.88Å; E343-Y415 HydrophobicContact CG-CE2 4.09Å; I346-Y415 HydrophobicContact CD1-CD2 4.32Å; I346-Y415 HydrophobicContact CD1-CG 3.95Å; L411-Y415 WeakPolarHBondContact O-CB 3.35Å; L411-Y415 PolarHBondContact O-N 3.28Å; E412-Y415 PolarHBondContact O-N 3.2Å; Y415-R417 VanDerWaalsContact C-N 3.34Å; Y415-R417 PolarHBondContact O-N 3.49Å; Y415-V418 PolarHBondContact O-N 3.22Å; Y415-T419 HydrophobicContact CD2-CG2 4.18Å; Y415-T419 HydrophobicContact CE1-CG2 4.12Å; Y415-T419 HydrophobicContact CE2-CG2 3.8Å; Y415-T419 WeakPolarHBondContact O-CB 3.48Å; Y415-T419 WeakPolarHBondContact O-CG2 3.42Å; Y415-T419 PolarHBondContact O-N 3.05Å; Y415-T419 PolarHBondContact O-OG1 3.34Å
416	L	94.8	Very high	92.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-45.2	178.9	179.6	59.4	0	0	0	111.2	E412 Y414 T419 I420 I445 M465 S469 I472	E412-L416 VanDerWaalsContact O-CB 3.3Å; E412-L416 WeakPolarHBondContact O-CB 3.5Å; E412-L416 PolarHBondContact O-N 3.32Å; Y414-L416 VanDerWaalsContact C-N 3.33Å; Y414-L416 PolarHBondContact O-N 3.07Å; L416-T419 PolarHBondContact O-OG1 3.33Å; L416-T419 VanDerWaalsContact O-OG1 3.13Å; L416-I420 HydrophobicContact CD1-CD1 3.48Å; L416-I420 VanDerWaalsContact CD1-CD1 3.48Å; L416-I420 HydrophobicContact CD1-CG1 4.03Å; L416-I420 HydrophobicContact CG-CD1 3.87Å; L416-I420 WeakPolarHBondContact O-CB 3.41Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.1Å; L416-I420 PolarHBondContact O-N 3.39Å; L416-I445 HydrophobicContact CD1-CG2 3.75Å; L416-M465 HydrophobicContact CB-CE 4.1Å; L416-M465 HydrophobicContact CD2-CE 3.4Å; L416-M465 HydrophobicContact CG-CE 4.37Å; L416-S469 WeakPolarHBondContact CD2-OG 3.45Å; L416-I472 HydrophobicContact CB-CD1 4.29Å; L416-I472 HydrophobicContact CD2-CD1 4Å; L416-I472 HydrophobicContact CG-CD1 4.1Å
417	R	93.2	Very high	91.3	Very high	32 Å²	32	30.9 Å²	30.9	12%	0.121	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-52.2	179	-170.8	180	-178.7	79.6	-1.6	112	S310 Q413 Y414 Y415 I420 M421 I472 L476	S310-R417 PolarHBondContact OG-NH2 3.03Å; Q413-R417 WeakPolarHBondContact O-CB 3.48Å; Q413-R417 PolarHBondContact O-N 3.37Å; Y414-R417 PolarHBondContact O-N 2.64Å; Y415-R417 VanDerWaalsContact C-N 3.34Å; Y415-R417 PolarHBondContact O-N 3.49Å; R417-I420 PolarHBondContact O-N 3.02Å; R417-M421 HydrophobicContact CG-SD 4.39Å; R417-M421 VanDerWaalsContact O-CG 3.31Å; R417-M421 WeakPolarHBondContact O-CG 3.33Å; R417-M421 PolarHBondContact O-N 3.02Å; R417-I472 HydrophobicContact CB-CD1 4.16Å; R417-L476 HydrophobicContact CG-CD1 4.02Å
418	V	90.3	Very high	91	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.127	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-39.2	-175.7	179	0	0	0	0	111.5	V339 Y414 Y415 M421 K422	V339-V418 HydrophobicContact CG2-CB 3.76Å; V339-V418 HydrophobicContact CG2-CG1 3.42Å; V339-V418 VanDerWaalsContact CG2-CG1 3.42Å; Y414-V418 HydrophobicContact CD1-CG2 4.14Å; Y414-V418 HydrophobicContact CD2-CG2 4.16Å; Y414-V418 HydrophobicContact CE1-CG2 3.71Å; Y414-V418 HydrophobicContact CE2-CG2 3.74Å; Y414-V418 HydrophobicContact CG-CG2 4.36Å; Y414-V418 WeakPolarHBondContact O-CG2 3.21Å; Y414-V418 PolarHBondContact O-N 3.24Å; Y415-V418 PolarHBondContact O-N 3.22Å; V418-M421 PolarHBondContact O-N 2.94Å; V418-K422 WeakPolarHBondContact O-CB 3.47Å; V418-K422 PolarHBondContact O-N 3.29Å
419	T	92.2	Very high	90.8	Very high	17 Å²	17	37.6 Å²	37.6	10%	0.104	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-38.8	178	50	0	0	0	0	112.2	V339 Y415 L416 K422 A423 I445	V339-T419 HydrophobicContact CG1-CG2 3.7Å; V339-T419 HydrophobicContact CG2-CG2 4.44Å; Y415-T419 HydrophobicContact CD2-CG2 4.18Å; Y415-T419 HydrophobicContact CE1-CG2 4.12Å; Y415-T419 HydrophobicContact CE2-CG2 3.8Å; Y415-T419 WeakPolarHBondContact O-CB 3.48Å; Y415-T419 WeakPolarHBondContact O-CG2 3.42Å; Y415-T419 PolarHBondContact O-N 3.05Å; Y415-T419 PolarHBondContact O-OG1 3.34Å; L416-T419 PolarHBondContact O-OG1 3.33Å; L416-T419 VanDerWaalsContact O-OG1 3.13Å; T419-K422 PolarHBondContact O-N 3.07Å; T419-A423 PolarHBondContact O-N 3.2Å; T419-I445 VanDerWaalsContact OG1-CG2 3.23Å; T419-I445 WeakPolarHBondContact OG1-CG2 3.49Å
420	I	94.2	Very high	90.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-45.3	171	-72.7	175	0	0	0	111	L416 R417 K422 A423 L424 V442 I445 I472 L473 L476	L416-I420 HydrophobicContact CD1-CD1 3.48Å; L416-I420 VanDerWaalsContact CD1-CD1 3.48Å; L416-I420 HydrophobicContact CD1-CG1 4.03Å; L416-I420 HydrophobicContact CG-CD1 3.87Å; L416-I420 WeakPolarHBondContact O-CB 3.41Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.1Å; L416-I420 PolarHBondContact O-N 3.39Å; R417-I420 PolarHBondContact O-N 3.02Å; I420-K422 VanDerWaalsContact C-N 3.25Å; I420-K422 PolarHBondContact O-N 3.49Å; I420-A423 PolarHBondContact O-N 3.17Å; I420-A423 VanDerWaalsContact O-N 3.16Å; I420-L424 HydrophobicContact CG2-CD1 3.73Å; I420-L424 HydrophobicContact CG2-CG 4.2Å; I420-L424 WeakPolarHBondContact O-CB 3.39Å; I420-L424 VanDerWaalsContact O-CG 3.27Å; I420-L424 WeakPolarHBondContact O-CG 3.34Å; I420-L424 PolarHBondContact O-N 3.07Å; I420-V442 HydrophobicContact CD1-CG1 4.26Å; I420-V442 HydrophobicContact CG1-CG1 4.28Å; I420-V442 HydrophobicContact CG1-CG2 4.47Å; I420-V442 HydrophobicContact CG2-CG1 4.47Å; I420-V442 HydrophobicContact CG2-CG2 4.17Å; I420-I445 HydrophobicContact CG1-CG2 4.38Å; I420-I472 HydrophobicContact CD1-CG2 3.74Å; I420-L473 HydrophobicContact CD1-CD2 4.01Å; I420-L476 HydrophobicContact CB-CD1 4.34Å; I420-L476 HydrophobicContact CG2-CB 4.16Å; I420-L476 HydrophobicContact CG2-CD1 3.84Å
421	M	91.6	Very high	90.1	Very high	69 Å²	69	46.2 Å²	46.2	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-39.7	176.1	-75.1	-176.6	66.6	0	0	112.2	I328 R417 V418 L424 S425 L476	I328-M421 HydrophobicContact CG2-CE 4.38Å; R417-M421 HydrophobicContact CG-SD 4.39Å; R417-M421 VanDerWaalsContact O-CG 3.31Å; R417-M421 WeakPolarHBondContact O-CG 3.33Å; R417-M421 PolarHBondContact O-N 3.02Å; V418-M421 PolarHBondContact O-N 2.94Å; M421-L424 PolarHBondContact O-N 2.88Å; M421-S425 PolarHBondContact O-N 2.99Å; M421-S425 VanDerWaalsContact O-N 3.12Å; M421-L476 HydrophobicContact CG-CD1 3.59Å; M421-L476 HydrophobicContact CG-CD2 4.23Å
422	K	90.5	Very high	89.7	Confident	108 Å²	108	50.3 Å²	50.3	47%	0.47	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-44	175.6	-174.3	175.3	-179.4	175.4	0	111.6	S336 V418 T419 I420 L424 S425	S336-K422 PolarHBondContact OG-NZ 3.03Å; V418-K422 WeakPolarHBondContact O-CB 3.47Å; V418-K422 PolarHBondContact O-N 3.29Å; T419-K422 PolarHBondContact O-N 3.07Å; I420-K422 VanDerWaalsContact C-N 3.25Å; I420-K422 PolarHBondContact O-N 3.49Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.38Å; K422-S425 PolarHBondContact O-N 2.67Å; K422-S425 VanDerWaalsContact O-N 3.15Å; K422-S425 PolarHBondContact O-OG 2.8Å
423	A	91.9	Very high	89.3	Confident	12 Å²	12	55.5 Å²	55.5	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-44.2	175.2	0	0	0	0	0	111.3	T419 I420 S425 S426 F438 D441 V442 I445	T419-A423 PolarHBondContact O-N 3.2Å; I420-A423 PolarHBondContact O-N 3.17Å; I420-A423 VanDerWaalsContact O-N 3.16Å; A423-S425 PolarHBondContact O-N 2.77Å; A423-S426 VanDerWaalsContact O-CB 3.26Å; A423-S426 WeakPolarHBondContact O-CB 3.32Å; A423-S426 PolarHBondContact O-N 3.13Å; A423-F438 HydrophobicContact CB-CB 4.34Å; A423-F438 VanDerWaalsContact O-CB 3.26Å; A423-F438 WeakPolarHBondContact O-CB 3.05Å; A423-D441 HydrophobicContact CB-CB 4.19Å; A423-V442 HydrophobicContact CB-CG2 4.07Å; A423-I445 HydrophobicContact CB-CD1 4.22Å
424	L	91.4	Very high	89.3	Confident	19 Å²	19	54.7 Å²	54.7	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-18.6	177.4	-68.2	170.7	0	0	0	114.1	I420 M421 K422 F438 V442 L476 F481	I420-L424 HydrophobicContact CG2-CD1 3.73Å; I420-L424 HydrophobicContact CG2-CG 4.2Å; I420-L424 WeakPolarHBondContact O-CB 3.39Å; I420-L424 VanDerWaalsContact O-CG 3.27Å; I420-L424 WeakPolarHBondContact O-CG 3.34Å; I420-L424 PolarHBondContact O-N 3.07Å; M421-L424 PolarHBondContact O-N 2.88Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.38Å; L424-F438 HydrophobicContact CD2-CD1 4.38Å; L424-F438 HydrophobicContact CD2-CD2 3.41Å; L424-F438 VanDerWaalsContact CD2-CD2 3.41Å; L424-F438 HydrophobicContact CD2-CE1 4.28Å; L424-F438 HydrophobicContact CD2-CE2 3.29Å; L424-F438 HydrophobicContact CD2-CG 4.01Å; L424-F438 HydrophobicContact CD2-CZ 3.79Å; L424-F438 HydrophobicContact CG-CD2 4.49Å; L424-V442 HydrophobicContact CD2-CG2 4.49Å; L424-L476 HydrophobicContact CD1-CB 3.72Å; L424-F481 HydrophobicContact CB-CD2 4.34Å; L424-F481 HydrophobicContact CD2-CB 3.99Å; L424-F481 HydrophobicContact CD2-CD2 4.14Å; L424-F481 HydrophobicContact CD2-CG 4.02Å; L424-F481 WeakPolarHBondContact O-CE2 3.43Å
425	S	87.5	Confident	89.4	Confident	70 Å²	70	55.3 Å²	55.3	49%	0.49	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.4	173.4	72	0	0	0	0	113.4	M421 K422 A423 D427	M421-S425 PolarHBondContact O-N 2.99Å; M421-S425 VanDerWaalsContact O-N 3.12Å; K422-S425 PolarHBondContact O-N 2.67Å; K422-S425 VanDerWaalsContact O-N 3.15Å; K422-S425 PolarHBondContact O-OG 2.8Å; A423-S425 PolarHBondContact O-N 2.77Å; S425-D427 PolarHBondContact O-N 3.45Å
426	S	82.6	Confident	89.5	Confident	36 Å²	36	54.8 Å²	54.8	25%	0.252	29%	0.291	S	S	.	.			trans	-78.6	110.8	171.6	-170.6	0	0	0	0	110	A423 E428	A423-S426 VanDerWaalsContact O-CB 3.26Å; A423-S426 WeakPolarHBondContact O-CB 3.32Å; A423-S426 PolarHBondContact O-N 3.13Å; S426-E428 PolarHBondContact O-N 3.22Å
427	D	76.1	Confident	89.4	Confident	121 Å²	121	56.7 Å²	56.7	65%	0.647	30%	0.304	S	S	*	.			trans	-83.3	23.9	177.4	-75.4	-28.2	0	0	0	112.7	S425	S425-D427 PolarHBondContact O-N 3.45Å
428	E	87.9	Confident	89.4	Confident	129 Å²	129	55.2 Å²	55.2	60%	0.603	30%	0.298	S	S	*	.			trans	-86.1	132.2	-177.2	-64.6	-171.3	171.8	0	0	112.2	S426 C437	S426-E428 PolarHBondContact O-N 3.22Å; E428-C437 HydrophobicContact CB-CB 4.16Å; E428-C437 WeakPolarHBondContact O-CB 3.32Å; E428-C437 PolarHBondContact O-N 3.37Å; E428-C437 PolarHBondContact O-SG 2.88Å
429	V	89.7	Confident	89.7	Confident	27 Å²	27	54.2 Å²	54.2	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.1	173.8	-179.2	0	0	0	0	108.7	K431 W436 Y538 V542	V429-K431 PolarHBondContact O-N 3.39Å; V429-W436 HydrophobicContact CG2-CD2 4.06Å; V429-W436 HydrophobicContact CG2-CE3 3.5Å; V429-W436 HydrophobicContact CG2-CH2 3.96Å; V429-W436 HydrophobicContact CG2-CZ2 4.48Å; V429-W436 HydrophobicContact CG2-CZ3 3.45Å; V429-W436 VanDerWaalsContact CG2-CZ3 3.45Å; V429-Y538 HydrophobicContact CB-CE1 4.45Å; V429-Y538 HydrophobicContact CG1-CE1 4.21Å; V429-Y538 WeakPolarHBondContact CG1-OH 3.36Å; V429-Y538 HydrophobicContact CG2-CE1 4.37Å; V429-V542 HydrophobicContact CG1-CB 4.48Å; V429-V542 HydrophobicContact CG1-CG1 3.7Å; V429-V542 HydrophobicContact CG1-CG2 3.89Å; V429-V542 HydrophobicContact CG2-CG1 3.98Å
430	D	88.7	Confident	89.8	Confident	63 Å²	63	58.2 Å²	58.2	34%	0.337	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	114.4	170.1	176.3	17.8	0	0	0	109.2	S432 N434 V435 C437	D430-S432 VanDerWaalsContact CG-OG 3.3Å; D430-S432 PolarHBondContact O-N 3.06Å; D430-S432 WeakPolarHBondContact OD1-CB 3.05Å; D430-S432 PolarHBondContact OD1-N 3.24Å; D430-S432 PolarHBondContact OD1-OG 3.16Å; D430-S432 PolarHBondContact OD2-OG 3.23Å; D430-N434 WeakPolarHBondContact O-CA 3.37Å; D430-N434 PolarHBondContact O-N 3.02Å; D430-V435 PolarHBondContact N-O 2.9Å; D430-V435 PolarHBondContact O-N 3.16Å; D430-C437 PolarHBondContact N-SG 2.99Å; D430-C437 VanDerWaalsContact N-SG 3.38Å
431	K	83.1	Confident	89.8	Confident	182 Å²	182	62 Å²	62	79%	0.791	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.5	-178.5	-61.4	-176.6	-177.1	176.9	0	113.1	V429	V429-K431 PolarHBondContact O-N 3.39Å
432	S	84.8	Confident	90.1	Very high	85 Å²	85	58.7 Å²	58.7	59%	0.594	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-45.8	-178.5	82.2	0	0	0	0	111.5	D430	D430-S432 VanDerWaalsContact CG-OG 3.3Å; D430-S432 PolarHBondContact O-N 3.06Å; D430-S432 WeakPolarHBondContact OD1-CB 3.05Å; D430-S432 PolarHBondContact OD1-N 3.24Å; D430-S432 PolarHBondContact OD1-OG 3.16Å; D430-S432 PolarHBondContact OD2-OG 3.23Å
433	N	86.7	Confident	90.4	Very high	109 Å²	109	54 Å²	54	58%	0.583	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-3.7	-176.8	-65.9	-24.5	0	0	0	113.4	V435	N433-V435 HydrophobicContact CB-CG2 4.17Å; N433-V435 PolarHBondContact O-N 2.9Å
434	N	92.8	Very high	90.6	Very high	24 Å²	24	60 Å²	60	13%	0.128	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	51.6	-173.2	-65.2	-56.7	0	0	0	111.9	D430 Y538 V542 N545 S659 V660	D430-N434 WeakPolarHBondContact O-CA 3.37Å; D430-N434 PolarHBondContact O-N 3.02Å; N434-Y538 PolarHBondContact OD1-OH 3.23Å; N434-V542 HydrophobicContact CB-CG2 4.27Å; N434-N545 WeakPolarHBondContact O-CB 3.3Å; N434-N545 PolarHBondContact O-ND2 3.24Å; N434-N545 VanDerWaalsContact O-ND2 3.12Å; N434-S659 PolarHBondContact ND2-O 3.06Å; N434-V660 HydrophobicContact CB-CG1 4.09Å; N434-V660 WeakPolarHBondContact CB-O 3.27Å; N434-V660 PolarHBondContact ND2-O 3.27Å
435	V	94.3	Very high	90.9	Very high	25 Å²	25	60.3 Å²	60.3	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.2	179.3	172.5	0	0	0	0	108.8	D430 N433 C437 I439 N545 A549	D430-V435 PolarHBondContact N-O 2.9Å; D430-V435 PolarHBondContact O-N 3.16Å; N433-V435 HydrophobicContact CB-CG2 4.17Å; N433-V435 PolarHBondContact O-N 2.9Å; V435-C437 PolarHBondContact O-N 3.04Å; V435-I439 HydrophobicContact CG1-CB 4.36Å; V435-I439 HydrophobicContact CG1-CG1 4.17Å; V435-N545 HydrophobicContact CG2-CB 3.92Å; V435-A549 HydrophobicContact CG1-CB 3.79Å; V435-A549 HydrophobicContact CG2-CB 4.15Å
436	W	94.5	Very high	91.3	Very high	2 Å²	2	57 Å²	57	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	127.7	173.2	-68.4	114	0	0	0	111.3	V429 F438 I439 F481 I485 H539 V542 T543 S546	V429-W436 HydrophobicContact CG2-CD2 4.06Å; V429-W436 HydrophobicContact CG2-CE3 3.5Å; V429-W436 HydrophobicContact CG2-CH2 3.96Å; V429-W436 HydrophobicContact CG2-CZ2 4.48Å; V429-W436 HydrophobicContact CG2-CZ3 3.45Å; V429-W436 VanDerWaalsContact CG2-CZ3 3.45Å; W436-F438 HydrophobicContact CB-CD1 3.64Å; W436-F438 HydrophobicContact CB-CE1 3.27Å; W436-F438 HydrophobicContact CB-CG 4.38Å; W436-F438 HydrophobicContact CB-CZ 3.75Å; W436-F438 AromaticContact CD2-CE1 3.86Å; W436-F438 HydrophobicContact CD2-CE1 3.86Å; W436-F438 HydrophobicContact CE3-CE1 4.18Å; W436-F438 HydrophobicContact CG-CD1 4.23Å; W436-F438 AromaticContact CG-CE1 3.45Å; W436-F438 HydrophobicContact CG-CE1 3.45Å; W436-F438 VanDerWaalsContact CG-CE1 3.45Å; W436-F438 AromaticContact CG-CZ 3.93Å; W436-F438 HydrophobicContact CG-CZ 3.93Å; W436-F438 PolarHBondContact O-N 3.21Å; W436-I439 HydrophobicContact CB-CG1 4.06Å; W436-I439 WeakPolarHBondContact O-CB 3.39Å; W436-I439 WeakPolarHBondContact O-CG1 3.39Å; W436-I439 PolarHBondContact O-N 3.44Å; W436-I439 VanDerWaalsContact O-N 3.17Å; W436-F481 HydrophobicContact CD2-CE1 4.14Å; W436-F481 HydrophobicContact CD2-CZ 4.3Å; W436-F481 AromaticContact CE2-CE1 3.91Å; W436-F481 HydrophobicContact CE3-CZ 4.42Å; W436-F481 HydrophobicContact CG-CE1 4.34Å; W436-F481 HydrophobicContact CZ2-CE1 4.33Å; W436-F481 HydrophobicContact CZ2-CZ 4.38Å; W436-F481 AromaticContact NE1-CE1 3.91Å; W436-I485 HydrophobicContact CZ2-CD1 4.04Å; W436-H539 HydrophobicContact CH2-CB 4.45Å; W436-H539 AromaticContact CH2-CE1 3.6Å; W436-H539 AromaticContact CH2-CG 3.8Å; W436-H539 AromaticContact CH2-ND1 3.48Å; W436-H539 WeakPolarHBondContact CH2-ND1 3.2Å; W436-H539 AromaticContact CH2-NE2 4Å; W436-H539 HydrophobicContact CZ2-CB 4.01Å; W436-H539 AromaticContact CZ2-CG 3.86Å; W436-H539 AromaticContact CZ2-ND1 3.87Å; W436-V542 HydrophobicContact CD2-CG1 4.03Å; W436-V542 HydrophobicContact CG-CG1 4.02Å; W436-V542 HydrophobicContact CZ2-CG1 4.44Å; W436-T543 PolarHBondContact NE1-OG1 3.44Å; W436-T543 VanDerWaalsContact NE1-OG1 3.12Å; W436-S546 PolarHBondContact N-OG 3.49Å
437	C	93.1	Very high	92.1	Very high	40 Å²	40	58.7 Å²	58.7	27%	0.27	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.2	-177.1	-67.1	0	0	0	0	112.7	E428 D430 V435 I439 D440	E428-C437 HydrophobicContact CB-CB 4.16Å; E428-C437 WeakPolarHBondContact O-CB 3.32Å; E428-C437 PolarHBondContact O-N 3.37Å; E428-C437 PolarHBondContact O-SG 2.88Å; D430-C437 PolarHBondContact N-SG 2.99Å; D430-C437 VanDerWaalsContact N-SG 3.38Å; V435-C437 PolarHBondContact O-N 3.04Å; C437-I439 PolarHBondContact O-N 2.89Å; C437-I439 VanDerWaalsContact O-N 3.07Å; C437-D440 PolarHBondContact O-N 3.3Å
438	F	94.8	Very high	93	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-16.2	-178.2	71.1	-105.9	0	0	0	113.6	A423 L424 W436 D440 D441 V442 M477 F481 L482	A423-F438 HydrophobicContact CB-CB 4.34Å; A423-F438 VanDerWaalsContact O-CB 3.26Å; A423-F438 WeakPolarHBondContact O-CB 3.05Å; L424-F438 HydrophobicContact CD2-CD1 4.38Å; L424-F438 HydrophobicContact CD2-CD2 3.41Å; L424-F438 VanDerWaalsContact CD2-CD2 3.41Å; L424-F438 HydrophobicContact CD2-CE1 4.28Å; L424-F438 HydrophobicContact CD2-CE2 3.29Å; L424-F438 HydrophobicContact CD2-CG 4.01Å; L424-F438 HydrophobicContact CD2-CZ 3.79Å; L424-F438 HydrophobicContact CG-CD2 4.49Å; W436-F438 HydrophobicContact CB-CD1 3.64Å; W436-F438 HydrophobicContact CB-CE1 3.27Å; W436-F438 HydrophobicContact CB-CG 4.38Å; W436-F438 HydrophobicContact CB-CZ 3.75Å; W436-F438 AromaticContact CD2-CE1 3.86Å; W436-F438 HydrophobicContact CD2-CE1 3.86Å; W436-F438 HydrophobicContact CE3-CE1 4.18Å; W436-F438 HydrophobicContact CG-CD1 4.23Å; W436-F438 AromaticContact CG-CE1 3.45Å; W436-F438 HydrophobicContact CG-CE1 3.45Å; W436-F438 VanDerWaalsContact CG-CE1 3.45Å; W436-F438 AromaticContact CG-CZ 3.93Å; W436-F438 HydrophobicContact CG-CZ 3.93Å; W436-F438 PolarHBondContact O-N 3.21Å; F438-D440 VanDerWaalsContact C-N 3.35Å; F438-D440 PolarHBondContact O-N 3.42Å; F438-D441 PolarHBondContact O-N 2.84Å; F438-V442 HydrophobicContact CD2-CG2 4Å; F438-V442 WeakPolarHBondContact O-CB 3.38Å; F438-V442 VanDerWaalsContact O-CG2 3.24Å; F438-V442 WeakPolarHBondContact O-CG2 3.48Å; F438-V442 PolarHBondContact O-N 2.96Å; F438-M477 HydrophobicContact CE2-CG 4.24Å; F438-F481 HydrophobicContact CD1-CZ 4.36Å; F438-F481 AromaticContact CE1-CD1 3.77Å; F438-F481 HydrophobicContact CE1-CD1 3.77Å; F438-F481 HydrophobicContact CE1-CD2 4.49Å; F438-F481 AromaticContact CE1-CE1 3.27Å; F438-F481 HydrophobicContact CE1-CE1 3.27Å; F438-F481 HydrophobicContact CE1-CE2 4.05Å; F438-F481 HydrophobicContact CE1-CG 4.36Å; F438-F481 AromaticContact CE1-CZ 3.42Å; F438-F481 HydrophobicContact CE1-CZ 3.42Å; F438-F481 VanDerWaalsContact CE1-CZ 3.42Å; F438-F481 HydrophobicContact CE2-CD1 4.43Å; F438-F481 AromaticContact CZ-CD1 3.4Å; F438-F481 HydrophobicContact CZ-CD1 3.4Å; F438-F481 AromaticContact CZ-CE1 3.38Å; F438-F481 HydrophobicContact CZ-CE1 3.38Å; F438-F481 HydrophobicContact CZ-CG 4.04Å; F438-F481 AromaticContact CZ-CZ 3.98Å; F438-F481 HydrophobicContact CZ-CZ 3.98Å; F438-L482 HydrophobicContact CZ-CD2 4.37Å
439	I	95.7	Very high	93.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-47	-178.3	-64.1	-62.9	0	0	0	110.3	V435 W436 C437 V442 F443 M477 A549 S550	V435-I439 HydrophobicContact CG1-CB 4.36Å; V435-I439 HydrophobicContact CG1-CG1 4.17Å; W436-I439 HydrophobicContact CB-CG1 4.06Å; W436-I439 WeakPolarHBondContact O-CB 3.39Å; W436-I439 WeakPolarHBondContact O-CG1 3.39Å; W436-I439 PolarHBondContact O-N 3.44Å; W436-I439 VanDerWaalsContact O-N 3.17Å; C437-I439 PolarHBondContact O-N 2.89Å; C437-I439 VanDerWaalsContact O-N 3.07Å; I439-V442 PolarHBondContact O-N 3.39Å; I439-F443 HydrophobicContact CG2-CD2 4.27Å; I439-F443 HydrophobicContact CG2-CE2 4.41Å; I439-F443 VanDerWaalsContact O-CD2 3.3Å; I439-F443 WeakPolarHBondContact O-CD2 3Å; I439-F443 PolarHBondContact O-N 3.28Å; I439-M477 HydrophobicContact CD1-SD 4.19Å; I439-A549 HydrophobicContact CG2-CB 4.23Å; I439-S550 WeakPolarHBondContact CD1-OG 3.44Å
440	D	94.1	Very high	93.7	Very high	101 Å²	101	49.1 Å²	49.1	54%	0.54	25%	0.25	S	S	.	.	H	α-helix	trans	-66.3	-40.7	178	-69.4	-25.4	0	0	0	111.3	C437 F438 F443 F444 N553	C437-D440 PolarHBondContact O-N 3.3Å; F438-D440 VanDerWaalsContact C-N 3.35Å; F438-D440 PolarHBondContact O-N 3.42Å; D440-F443 PolarHBondContact O-N 3.34Å; D440-F444 WeakPolarHBondContact O-CB 3.43Å; D440-F444 PolarHBondContact O-N 2.88Å; D440-N553 PolarHBondContact OD1-ND2 3.3Å
441	D	94.7	Very high	94	Very high	80 Å²	80	49.2 Å²	49.2	43%	0.428	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-45.8	178	-68.9	-26.3	0	0	0	112.2	A423 F438 F443 F444 I445	A423-D441 HydrophobicContact CB-CB 4.19Å; F438-D441 PolarHBondContact O-N 2.84Å; D441-F443 PolarHBondContact O-N 3.04Å; D441-F444 PolarHBondContact O-N 3.29Å; D441-I445 WeakPolarHBondContact O-CB 3.4Å; D441-I445 WeakPolarHBondContact O-CD1 3.37Å; D441-I445 WeakPolarHBondContact O-CG1 3.47Å; D441-I445 PolarHBondContact O-N 3.42Å
442	V	97	Very high	94.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-45	-179.2	166.2	0	0	0	0	110.8	I420 A423 L424 F438 I439 T446 L473 M477	I420-V442 HydrophobicContact CD1-CG1 4.26Å; I420-V442 HydrophobicContact CG1-CG1 4.28Å; I420-V442 HydrophobicContact CG1-CG2 4.47Å; I420-V442 HydrophobicContact CG2-CG1 4.47Å; I420-V442 HydrophobicContact CG2-CG2 4.17Å; A423-V442 HydrophobicContact CB-CG2 4.07Å; L424-V442 HydrophobicContact CD2-CG2 4.49Å; F438-V442 HydrophobicContact CD2-CG2 4Å; F438-V442 WeakPolarHBondContact O-CB 3.38Å; F438-V442 VanDerWaalsContact O-CG2 3.24Å; F438-V442 WeakPolarHBondContact O-CG2 3.48Å; F438-V442 PolarHBondContact O-N 2.96Å; I439-V442 PolarHBondContact O-N 3.39Å; V442-T446 WeakPolarHBondContact O-CB 3.47Å; V442-T446 PolarHBondContact O-N 2.76Å; V442-T446 PolarHBondContact O-OG1 3.06Å; V442-L473 HydrophobicContact CG1-CD2 3.25Å; V442-M477 HydrophobicContact CG1-SD 3.87Å
443	F	97.6	Very high	95.1	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-33.9	177.2	-80.3	-77.7	0	0	0	112.2	I439 D440 D441 K447 L473 M477 S550 N553 L554 L557	I439-F443 HydrophobicContact CG2-CD2 4.27Å; I439-F443 HydrophobicContact CG2-CE2 4.41Å; I439-F443 VanDerWaalsContact O-CD2 3.3Å; I439-F443 WeakPolarHBondContact O-CD2 3Å; I439-F443 PolarHBondContact O-N 3.28Å; D440-F443 PolarHBondContact O-N 3.34Å; D441-F443 PolarHBondContact O-N 3.04Å; F443-K447 WeakPolarHBondContact O-CB 3.26Å; F443-K447 PolarHBondContact O-N 3.23Å; F443-L473 HydrophobicContact CE1-CD1 4.46Å; F443-M477 HydrophobicContact CE2-CE 4.1Å; F443-M477 HydrophobicContact CE2-SD 4.12Å; F443-M477 HydrophobicContact CZ-CE 4.11Å; F443-S550 WeakPolarHBondContact CZ-O 3.41Å; F443-N553 HydrophobicContact CB-CB 4.1Å; F443-N553 HydrophobicContact CD1-CB 4.17Å; F443-N553 HydrophobicContact CD2-CB 3.43Å; F443-N553 VanDerWaalsContact CD2-CB 3.43Å; F443-N553 HydrophobicContact CE2-CB 3.84Å; F443-N553 HydrophobicContact CG-CB 3.62Å; F443-N553 HydrophobicContact CZ-CB 4.36Å; F443-L554 VanDerWaalsContact CE1-CA 3.44Å; F443-L554 HydrophobicContact CE1-CB 3.75Å; F443-L554 HydrophobicContact CE1-CD1 4.11Å; F443-L554 HydrophobicContact CZ-CB 3.91Å; F443-L557 HydrophobicContact CD1-CB 4.27Å; F443-L557 HydrophobicContact CD1-CD2 3.93Å; F443-L557 HydrophobicContact CE1-CD2 4.34Å
444	F	96.6	Very high	95.4	Very high	136 Å²	136	33 Å²	33	60%	0.596	16%	0.163	S	C	*	.	H	α-helix	trans	-65.1	-46.4	173.7	-180	-97.9	0	0	0	112.3	D440 D441 K447 K448	D440-F444 WeakPolarHBondContact O-CB 3.43Å; D440-F444 PolarHBondContact O-N 2.88Å; D441-F444 PolarHBondContact O-N 3.29Å; F444-K447 WeakPolarHBondContact O-CB 3.47Å; F444-K447 PolarHBondContact O-N 3.03Å; F444-K448 WeakPolarHBondContact O-CB 3.22Å; F444-K448 PolarHBondContact O-N 3.32Å
445	I	96	Very high	95.3	Very high	26 Å²	26	34.5 Å²	34.5	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-44.2	176.9	-68.2	162.3	0	0	0	110.3	L416 T419 I420 A423 D441 K448 S449	L416-I445 HydrophobicContact CD1-CG2 3.75Å; T419-I445 VanDerWaalsContact OG1-CG2 3.23Å; T419-I445 WeakPolarHBondContact OG1-CG2 3.49Å; I420-I445 HydrophobicContact CG1-CG2 4.38Å; A423-I445 HydrophobicContact CB-CD1 4.22Å; D441-I445 WeakPolarHBondContact O-CB 3.4Å; D441-I445 WeakPolarHBondContact O-CD1 3.37Å; D441-I445 WeakPolarHBondContact O-CG1 3.47Å; D441-I445 PolarHBondContact O-N 3.42Å; I445-K448 PolarHBondContact O-N 2.85Å; I445-S449 PolarHBondContact O-N 2.65Å; I445-S449 PolarHBondContact O-OG 3.46Å
446	T	97.7	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-47.3	177	-56.9	0	0	0	0	110.7	V442 K448 S449 L450 L473 L557	V442-T446 WeakPolarHBondContact O-CB 3.47Å; V442-T446 PolarHBondContact O-N 2.76Å; V442-T446 PolarHBondContact O-OG1 3.06Å; T446-K448 VanDerWaalsContact C-N 3.35Å; T446-K448 PolarHBondContact O-N 2.98Å; T446-S449 PolarHBondContact O-N 2.86Å; T446-L450 HydrophobicContact CG2-CD1 3.82Å; T446-L450 HydrophobicContact CG2-CG 4.31Å; T446-L450 WeakPolarHBondContact O-CB 3.28Å; T446-L450 WeakPolarHBondContact O-CG 3.48Å; T446-L450 PolarHBondContact O-N 3.1Å; T446-L473 HydrophobicContact CG2-CD1 4.1Å; T446-L557 HydrophobicContact CG2-CD2 3.91Å
447	K	97.5	Very high	94.8	Very high	72 Å²	72	34 Å²	34	31%	0.313	18%	0.175	S	C	.	.	H	α-helix	trans	-54.2	-50	174.3	-178	176.2	173.7	166.9	0	111.5	F443 F444 S449 L450 I451 L557 H560	F443-K447 WeakPolarHBondContact O-CB 3.26Å; F443-K447 PolarHBondContact O-N 3.23Å; F444-K447 WeakPolarHBondContact O-CB 3.47Å; F444-K447 PolarHBondContact O-N 3.03Å; K447-S449 VanDerWaalsContact C-N 3.3Å; K447-S449 PolarHBondContact O-N 3.42Å; K447-L450 PolarHBondContact O-N 3.37Å; K447-I451 HydrophobicContact CD-CD1 4.36Å; K447-I451 HydrophobicContact CG-CD1 3.64Å; K447-I451 HydrophobicContact CG-CG1 4.36Å; K447-I451 WeakPolarHBondContact O-CB 3.35Å; K447-I451 VanDerWaalsContact O-CG1 3.26Å; K447-I451 WeakPolarHBondContact O-CG1 3.22Å; K447-I451 PolarHBondContact O-N 3.46Å; K447-L557 HydrophobicContact CB-CD1 3.7Å; K447-L557 HydrophobicContact CG-CD1 4.1Å; K447-H560 WeakPolarHBondContact CE-CD2 3.37Å; K447-H560 VanDerWaalsContact CE-NE2 3.3Å; K447-H560 WeakPolarHBondContact CE-NE2 3.38Å
448	K	95.6	Very high	94.6	Very high	77 Å²	77	32.9 Å²	32.9	34%	0.335	17%	0.167	S	C	.	.	H	α-helix	trans	-59.5	-39.4	179.8	-174.1	-176.8	172.8	-173.4	0	112.3	E343 F444 I445 T446 R452	E343-K448 WeakPolarHBondContact OE1-CE 3.48Å; E343-K448 IonicContact OE1-NZ 3.93Å; E343-K448 PolarHBondContact OE1-NZ 3.33Å; F444-K448 WeakPolarHBondContact O-CB 3.22Å; F444-K448 PolarHBondContact O-N 3.32Å; I445-K448 PolarHBondContact O-N 2.85Å; T446-K448 VanDerWaalsContact C-N 3.35Å; T446-K448 PolarHBondContact O-N 2.98Å; K448-R452 WeakPolarHBondContact O-CG 3.29Å; K448-R452 PolarHBondContact O-N 3.18Å; K448-R452 PolarHBondContact O-NE 3.09Å
449	S	96	Very high	94.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74.1	-39.4	-179.2	-48.8	0	0	0	0	111.5	E412 I445 T446 K447 R452 S453	E412-S449 WeakPolarHBondContact OE1-CA 3.35Å; E412-S449 VanDerWaalsContact OE1-CB 3.3Å; E412-S449 WeakPolarHBondContact OE1-CB 3.46Å; E412-S449 PolarHBondContact OE1-OG 3.46Å; I445-S449 PolarHBondContact O-N 2.65Å; I445-S449 PolarHBondContact O-OG 3.46Å; T446-S449 PolarHBondContact O-N 2.86Å; K447-S449 VanDerWaalsContact C-N 3.3Å; K447-S449 PolarHBondContact O-N 3.42Å; S449-R452 WeakPolarHBondContact O-CB 3.27Å; S449-R452 PolarHBondContact O-N 3.49Å; S449-S453 PolarHBondContact O-N 3.27Å; S449-S453 VanDerWaalsContact O-N 3.09Å
450	L	96.9	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-44.8	175.5	-69.4	175.4	0	0	0	112.2	T446 K447 R452 S453 L454 M465 V466 S469 L557 L561	T446-L450 HydrophobicContact CG2-CD1 3.82Å; T446-L450 HydrophobicContact CG2-CG 4.31Å; T446-L450 WeakPolarHBondContact O-CB 3.28Å; T446-L450 WeakPolarHBondContact O-CG 3.48Å; T446-L450 PolarHBondContact O-N 3.1Å; K447-L450 PolarHBondContact O-N 3.37Å; L450-R452 VanDerWaalsContact C-N 3.27Å; L450-R452 PolarHBondContact O-N 3.23Å; L450-S453 WeakPolarHBondContact O-CA 3.37Å; L450-S453 WeakPolarHBondContact O-CB 3.27Å; L450-S453 PolarHBondContact O-N 3.11Å; L450-S453 PolarHBondContact O-OG 3.35Å; L450-L454 WeakPolarHBondContact O-CD1 3.4Å; L450-L454 PolarHBondContact O-N 3.18Å; L450-M465 HydrophobicContact CD2-CB 4.46Å; L450-M465 HydrophobicContact CD2-CG 4.11Å; L450-V466 HydrophobicContact CD2-CB 4.39Å; L450-V466 HydrophobicContact CD2-CG2 3.76Å; L450-S469 WeakPolarHBondContact CD2-OG 3.24Å; L450-L557 HydrophobicContact CD1-CD1 4.39Å; L450-L557 HydrophobicContact CD1-CD2 4.38Å; L450-L561 HydrophobicContact CB-CD2 3.77Å; L450-L561 HydrophobicContact CD1-CD1 3.58Å; L450-L561 HydrophobicContact CD1-CD2 4.31Å
451	I	95.2	Very high	94.4	Very high	64 Å²	64	33.5 Å²	33.5	33%	0.328	17%	0.171	S	C	.	.	H	α-helix	trans	-60.2	-38.5	175.6	-67.3	168.8	0	0	0	111.2	K447 S453 L454 S455 H560	K447-I451 HydrophobicContact CD-CD1 4.36Å; K447-I451 HydrophobicContact CG-CD1 3.64Å; K447-I451 HydrophobicContact CG-CG1 4.36Å; K447-I451 WeakPolarHBondContact O-CB 3.35Å; K447-I451 VanDerWaalsContact O-CG1 3.26Å; K447-I451 WeakPolarHBondContact O-CG1 3.22Å; K447-I451 PolarHBondContact O-N 3.46Å; I451-S453 VanDerWaalsContact C-N 3.35Å; I451-S453 PolarHBondContact O-N 2.82Å; I451-L454 WeakPolarHBondContact O-CB 3.19Å; I451-L454 PolarHBondContact O-N 3.14Å; I451-S455 PolarHBondContact O-N 2.88Å; I451-H560 VanDerWaalsContact CD1-NE2 3.34Å; I451-H560 WeakPolarHBondContact CD1-NE2 3.35Å
452	R	94	Very high	94.4	Very high	25 Å²	25	29.8 Å²	29.8	9%	0.094	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-47.1	171.7	-86	-176.3	-85.7	179.6	-2.5	111.3	E343 L350 E412 K448 S449 L450 L454 S455	E343-R452 IonicContact OE1-NH1 3.72Å; L350-R452 HydrophobicContact CD2-CB 3.74Å; L350-R452 HydrophobicContact CD2-CG 3.95Å; L350-R452 WeakPolarHBondContact CD2-O 3.38Å; E412-R452 IonicContact OE1-CZ 3.74Å; E412-R452 IonicContact OE1-NE 2.68Å; E412-R452 IonicContact OE1-NH1 3.18Å; E412-R452 IonicContact OE1-NH2 2.82Å; K448-R452 WeakPolarHBondContact O-CG 3.29Å; K448-R452 PolarHBondContact O-N 3.18Å; K448-R452 PolarHBondContact O-NE 3.09Å; S449-R452 WeakPolarHBondContact O-CB 3.27Å; S449-R452 PolarHBondContact O-N 3.49Å; L450-R452 VanDerWaalsContact C-N 3.27Å; L450-R452 PolarHBondContact O-N 3.23Å; R452-L454 PolarHBondContact O-N 2.76Å; R452-S455 WeakPolarHBondContact O-CB 3.21Å; R452-S455 PolarHBondContact O-N 3.28Å; R452-S455 PolarHBondContact O-OG 3.17Å
453	S	95.3	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-33.5	177.6	79.7	0	0	0	0	113.2	Y408 S449 L450 I451 S455 S456 I462	Y408-S453 WeakPolarHBondContact OH-CA 3.5Å; Y408-S453 PolarHBondContact OH-N 3.32Å; S449-S453 PolarHBondContact O-N 3.27Å; S449-S453 VanDerWaalsContact O-N 3.09Å; L450-S453 WeakPolarHBondContact O-CA 3.37Å; L450-S453 WeakPolarHBondContact O-CB 3.27Å; L450-S453 PolarHBondContact O-N 3.11Å; L450-S453 PolarHBondContact O-OG 3.35Å; I451-S453 VanDerWaalsContact C-N 3.35Å; I451-S453 PolarHBondContact O-N 2.82Å; S453-S455 VanDerWaalsContact C-N 3.3Å; S453-S455 PolarHBondContact O-N 3.5Å; S453-S456 VanDerWaalsContact O-CB 3.3Å; S453-S456 WeakPolarHBondContact O-CB 3.42Å; S453-S456 PolarHBondContact O-N 3.34Å; S453-S456 PolarHBondContact O-OG 3.24Å; S453-I462 WeakPolarHBondContact O-CG1 3.47Å
454	L	93.6	Very high	94.3	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-37.6	175	-91.2	67.4	0	0	0	112.1	L450 I451 R452 S456 G457 I462 L561 E564 L565 L568	L450-L454 WeakPolarHBondContact O-CD1 3.4Å; L450-L454 PolarHBondContact O-N 3.18Å; I451-L454 WeakPolarHBondContact O-CB 3.19Å; I451-L454 PolarHBondContact O-N 3.14Å; R452-L454 PolarHBondContact O-N 2.76Å; L454-S456 PolarHBondContact O-N 2.77Å; L454-G457 PolarHBondContact O-N 2.71Å; L454-G457 VanDerWaalsContact O-N 3.09Å; L454-I462 HydrophobicContact CD1-CG1 4.47Å; L454-I462 HydrophobicContact CD1-CG2 3.93Å; L454-I462 HydrophobicContact CG-CD1 4.43Å; L454-L561 HydrophobicContact CD1-CD2 4.48Å; L454-E564 HydrophobicContact CD2-CB 3.58Å; L454-E564 HydrophobicContact CD2-CG 4.49Å; L454-L565 HydrophobicContact CD1-CD2 4.24Å; L454-L565 HydrophobicContact CD2-CD2 3.77Å; L454-L565 HydrophobicContact CD2-CG 4.28Å; L454-L565 HydrophobicContact CG-CD2 3.76Å; L454-L568 HydrophobicContact CB-CD1 4.33Å; L454-L568 HydrophobicContact CD2-CD1 4.26Å; L454-L568 HydrophobicContact CG-CD1 4.45Å
455	S	91.4	Very high	94.3	Very high	56 Å²	56	24.6 Å²	24.6	39%	0.392	14%	0.135	S	C	.	.	H	α-helix	trans	-68	-16.9	179.8	75.5	0	0	0	0	114	L350 T354 I451 R452 S453 G457	L350-S455 VanDerWaalsContact CD2-OG 3.26Å; L350-S455 WeakPolarHBondContact CD2-OG 3.39Å; L350-S455 WeakPolarHBondContact CG-OG 3.34Å; T354-S455 WeakPolarHBondContact CG2-O 3.27Å; T354-S455 PolarHBondContact OG1-O 3.47Å; I451-S455 PolarHBondContact O-N 2.88Å; R452-S455 WeakPolarHBondContact O-CB 3.21Å; R452-S455 PolarHBondContact O-N 3.28Å; R452-S455 PolarHBondContact O-OG 3.17Å; S453-S455 VanDerWaalsContact C-N 3.3Å; S453-S455 PolarHBondContact O-N 3.5Å; S455-G457 PolarHBondContact O-N 3.26Å
456	S	91.4	Very high	94.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24	172.1	75.1	0	0	0	0	112.3	S453 L454 N458	S453-S456 VanDerWaalsContact O-CB 3.3Å; S453-S456 WeakPolarHBondContact O-CB 3.42Å; S453-S456 PolarHBondContact O-N 3.34Å; S453-S456 PolarHBondContact O-OG 3.24Å; L454-S456 PolarHBondContact O-N 2.77Å; S456-N458 PolarHBondContact O-N 3.36Å; S456-N458 VanDerWaalsContact O-N 3.1Å; S456-N458 PolarHBondContact OG-N 3.36Å
457	G	86.1	Confident	94.3	Very high	14 Å²	14	27 Å²	27	14%	0.144	15%	0.148	C	C	.	.			trans	68.2	-1.7	-175.7	0	0	0	0	0	114.7	R361 L454 S455 Y569	R361-G457 PolarHBondContact NH2-O 3.34Å; L454-G457 PolarHBondContact O-N 2.71Å; L454-G457 VanDerWaalsContact O-N 3.09Å; S455-G457 PolarHBondContact O-N 3.26Å; G457-Y569 PolarHBondContact O-OH 3.43Å
458	N	90.1	Very high	94.2	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.091	15%	0.145	C	C	.	.			trans	-95.7	117.8	-177.9	-177.7	-67.2	0	0	0	110.6	L405 S456 D460 T461 I462	L405-N458 HydrophobicContact CD1-CB 4.1Å; L405-N458 HydrophobicContact CD2-CB 4.19Å; S456-N458 PolarHBondContact O-N 3.36Å; S456-N458 VanDerWaalsContact O-N 3.1Å; S456-N458 PolarHBondContact OG-N 3.36Å; N458-D460 VanDerWaalsContact C-N 3.34Å; N458-D460 PolarHBondContact O-N 3.11Å; N458-D460 WeakPolarHBondContact OD1-CB 3.19Å; N458-D460 PolarHBondContact OD1-N 3.09Å; N458-T461 PolarHBondContact O-N 3.23Å; N458-T461 PolarHBondContact OD1-N 3.07Å; N458-T461 PolarHBondContact OD1-OG1 3.33Å; N458-T461 VanDerWaalsContact OD1-OG1 3.08Å; N458-I462 WeakPolarHBondContact O-CG1 3.35Å; N458-I462 PolarHBondContact O-N 3.31Å
459	V	92.1	Very high	94.3	Very high	15 Å²	15	22.5 Å²	22.5	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-42	-175.9	175.6	0	0	0	0	112	T461 I462 C463 Y569 N575 K578 L579	V459-T461 VanDerWaalsContact C-N 3.3Å; V459-T461 PolarHBondContact O-N 2.88Å; V459-I462 PolarHBondContact O-N 3.34Å; V459-C463 PolarHBondContact O-N 3.43Å; V459-C463 PolarHBondContact O-SG 2.87Å; V459-C463 VanDerWaalsContact O-SG 3.35Å; V459-Y569 HydrophobicContact CG2-CE1 3.71Å; V459-N575 HydrophobicContact CG2-CB 3.9Å; V459-K578 HydrophobicContact CG1-CD 3.96Å; V459-K578 HydrophobicContact CG1-CG 4.45Å; V459-L579 HydrophobicContact CG1-CD1 4.43Å; V459-L579 HydrophobicContact CG1-CD2 4.02Å; V459-L579 HydrophobicContact CG1-CG 3.99Å; V459-L579 HydrophobicContact CG2-CD1 4.48Å
460	D	92.9	Very high	94.3	Very high	94 Å²	94	23 Å²	23	50%	0.503	13%	0.133	S	C	.	.	H	α-helix	trans	-66.7	-35.7	-178.9	-60.7	-44.3	0	0	0	111.9	N458 C463 A464 K578	N458-D460 VanDerWaalsContact C-N 3.34Å; N458-D460 PolarHBondContact O-N 3.11Å; N458-D460 WeakPolarHBondContact OD1-CB 3.19Å; N458-D460 PolarHBondContact OD1-N 3.09Å; D460-C463 PolarHBondContact O-N 3.11Å; D460-A464 VanDerWaalsContact O-CB 3.31Å; D460-A464 WeakPolarHBondContact O-CB 3.44Å; D460-A464 PolarHBondContact O-N 3.05Å; D460-K578 IonicContact OD1-NZ 3.51Å; D460-K578 PolarHBondContact OD1-NZ 2.89Å
461	T	94.2	Very high	94.3	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-40.8	177.7	-59.1	0	0	0	0	111.3	L405 Y408 L409 N458 V459 A464 M465	L405-T461 HydrophobicContact CD2-CG2 3.89Å; L405-T461 WeakPolarHBondContact CD2-OG1 3.4Å; Y408-T461 HydrophobicContact CD1-CG2 3.92Å; Y408-T461 HydrophobicContact CE1-CG2 3.9Å; L409-T461 HydrophobicContact CD1-CG2 4.27Å; L409-T461 HydrophobicContact CD2-CG2 3.79Å; L409-T461 HydrophobicContact CG-CG2 3.95Å; N458-T461 PolarHBondContact O-N 3.23Å; N458-T461 PolarHBondContact OD1-N 3.07Å; N458-T461 PolarHBondContact OD1-OG1 3.33Å; N458-T461 VanDerWaalsContact OD1-OG1 3.08Å; V459-T461 VanDerWaalsContact C-N 3.3Å; V459-T461 PolarHBondContact O-N 2.88Å; T461-A464 PolarHBondContact O-N 3.14Å; T461-M465 WeakPolarHBondContact O-CB 3.27Å; T461-M465 PolarHBondContact O-N 2.91Å
462	I	95.3	Very high	94.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-50.2	173	-63	163.2	0	0	0	109.6	S453 L454 N458 V459 A464 M465 V466 Y569 L579	S453-I462 WeakPolarHBondContact O-CG1 3.47Å; L454-I462 HydrophobicContact CD1-CG1 4.47Å; L454-I462 HydrophobicContact CD1-CG2 3.93Å; L454-I462 HydrophobicContact CG-CD1 4.43Å; N458-I462 WeakPolarHBondContact O-CG1 3.35Å; N458-I462 PolarHBondContact O-N 3.31Å; V459-I462 PolarHBondContact O-N 3.34Å; I462-A464 PolarHBondContact O-N 3.41Å; I462-M465 PolarHBondContact O-N 2.89Å; I462-V466 HydrophobicContact CG2-CG2 4.35Å; I462-V466 VanDerWaalsContact O-CG2 3.3Å; I462-V466 WeakPolarHBondContact O-CG2 3.44Å; I462-V466 PolarHBondContact O-N 3.1Å; I462-Y569 HydrophobicContact CD1-CE2 4.21Å; I462-L579 HydrophobicContact CB-CD2 3.94Å; I462-L579 HydrophobicContact CD1-CD2 4.47Å; I462-L579 HydrophobicContact CG2-CD2 3.63Å
463	C	96	Very high	94.6	Very high	12 Å²	12	21.8 Å²	21.8	8%	0.081	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-44.5	177.4	-70	0	0	0	0	112.5	V459 D460 M465 V466 N467	V459-C463 PolarHBondContact O-N 3.43Å; V459-C463 PolarHBondContact O-SG 2.87Å; V459-C463 VanDerWaalsContact O-SG 3.35Å; D460-C463 PolarHBondContact O-N 3.11Å; C463-M465 VanDerWaalsContact C-N 3.33Å; C463-M465 PolarHBondContact O-N 2.89Å; C463-V466 PolarHBondContact O-N 3.04Å; C463-N467 WeakPolarHBondContact O-CB 3.28Å; C463-N467 VanDerWaalsContact O-CG 3.27Å; C463-N467 PolarHBondContact O-N 3.42Å; C463-N467 PolarHBondContact O-ND2 3.39Å
464	A	96.3	Very high	94.7	Very high	26 Å²	26	22.5 Å²	22.5	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-43.7	177.5	0	0	0	0	0	111.3	L409 D460 T461 I462 N467 H468	L409-A464 HydrophobicContact CD1-CB 3.92Å; L409-A464 HydrophobicContact CD2-CB 3.89Å; D460-A464 VanDerWaalsContact O-CB 3.31Å; D460-A464 WeakPolarHBondContact O-CB 3.44Å; D460-A464 PolarHBondContact O-N 3.05Å; T461-A464 PolarHBondContact O-N 3.14Å; I462-A464 PolarHBondContact O-N 3.41Å; A464-N467 PolarHBondContact O-N 3.49Å; A464-H468 WeakPolarHBondContact O-CB 3.48Å; A464-H468 PolarHBondContact O-CD2 3.44Å; A464-H468 VanDerWaalsContact O-CD2 3.22Å; A464-H468 PolarHBondContact O-N 2.9Å
465	M	96.9	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.8	-36.4	179.2	-165.5	61.5	-147.1	0	0	112.8	L409 E412 L416 L450 T461 I462 C463 H468 S469	L409-M465 HydrophobicContact CD2-CB 4.24Å; E412-M465 HydrophobicContact CB-CE 4.42Å; E412-M465 HydrophobicContact CB-SD 3.95Å; E412-M465 HydrophobicContact CG-CE 3.69Å; E412-M465 HydrophobicContact CG-CG 4.43Å; E412-M465 HydrophobicContact CG-SD 3.57Å; E412-M465 VanDerWaalsContact CG-SD 3.57Å; L416-M465 HydrophobicContact CB-CE 4.1Å; L416-M465 HydrophobicContact CD2-CE 3.4Å; L416-M465 HydrophobicContact CG-CE 4.37Å; L450-M465 HydrophobicContact CD2-CB 4.46Å; L450-M465 HydrophobicContact CD2-CG 4.11Å; T461-M465 WeakPolarHBondContact O-CB 3.27Å; T461-M465 PolarHBondContact O-N 2.91Å; I462-M465 PolarHBondContact O-N 2.89Å; C463-M465 VanDerWaalsContact C-N 3.33Å; C463-M465 PolarHBondContact O-N 2.89Å; M465-H468 PolarHBondContact O-N 3.44Å; M465-S469 WeakPolarHBondContact O-CB 3.23Å; M465-S469 PolarHBondContact O-N 2.96Å; M465-S469 PolarHBondContact O-OG 2.94Å
466	V	97.2	Very high	95	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-48.6	171.9	168.6	0	0	0	0	110.4	L450 I462 C463 H468 S469 C470 C582 L586	L450-V466 HydrophobicContact CD2-CB 4.39Å; L450-V466 HydrophobicContact CD2-CG2 3.76Å; I462-V466 HydrophobicContact CG2-CG2 4.35Å; I462-V466 VanDerWaalsContact O-CG2 3.3Å; I462-V466 WeakPolarHBondContact O-CG2 3.44Å; I462-V466 PolarHBondContact O-N 3.1Å; C463-V466 PolarHBondContact O-N 3.04Å; V466-H468 PolarHBondContact O-N 2.76Å; V466-S469 WeakPolarHBondContact O-CB 3.46Å; V466-S469 PolarHBondContact O-N 3.27Å; V466-C470 WeakPolarHBondContact O-CB 3.34Å; V466-C470 PolarHBondContact O-N 3.14Å; V466-C582 WeakPolarHBondContact CG1-SG 3.38Å; V466-L586 HydrophobicContact CG1-CB 3.88Å; V466-L586 HydrophobicContact CG1-CD1 3.77Å; V466-L586 HydrophobicContact CG1-CG 4.46Å
467	N	96.5	Very high	95.3	Very high	71 Å²	71	22.7 Å²	22.7	38%	0.38	13%	0.133	S	C	.	.	H	α-helix	trans	-64.7	-40.7	178.5	-69.6	-13.9	0	0	0	112.2	C463 A464 C470 S471 C582	C463-N467 WeakPolarHBondContact O-CB 3.28Å; C463-N467 VanDerWaalsContact O-CG 3.27Å; C463-N467 PolarHBondContact O-N 3.42Å; C463-N467 PolarHBondContact O-ND2 3.39Å; A464-N467 PolarHBondContact O-N 3.49Å; N467-C470 PolarHBondContact O-N 2.99Å; N467-S471 WeakPolarHBondContact O-CB 3.33Å; N467-S471 PolarHBondContact O-N 3.32Å; N467-C582 PolarHBondContact OD1-SG 3.47Å
468	H	95.2	Very high	95.8	Very high	54 Å²	54	22.1 Å²	22.1	25%	0.25	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-43.2	173	-71	-27.2	0	0	0	112	Q413 A464 M465 V466 S471 I472	Q413-H468 HydrophobicContact CG-CB 4.21Å; Q413-H468 PolarHBondContact NE2-ND1 2.91Å; A464-H468 WeakPolarHBondContact O-CB 3.48Å; A464-H468 PolarHBondContact O-CD2 3.44Å; A464-H468 VanDerWaalsContact O-CD2 3.22Å; A464-H468 PolarHBondContact O-N 2.9Å; M465-H468 PolarHBondContact O-N 3.44Å; V466-H468 PolarHBondContact O-N 2.76Å; H468-S471 PolarHBondContact O-N 2.93Å; H468-I472 WeakPolarHBondContact O-CB 3.33Å; H468-I472 WeakPolarHBondContact O-CD1 3.45Å; H468-I472 WeakPolarHBondContact O-CG1 3.4Å; H468-I472 PolarHBondContact O-N 3.13Å
469	S	97.1	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-44.5	177.4	-58.2	0	0	0	0	111.4	L416 L450 M465 V466 I472 L473	L416-S469 WeakPolarHBondContact CD2-OG 3.45Å; L450-S469 WeakPolarHBondContact CD2-OG 3.24Å; M465-S469 WeakPolarHBondContact O-CB 3.23Å; M465-S469 PolarHBondContact O-N 2.96Å; M465-S469 PolarHBondContact O-OG 2.94Å; V466-S469 WeakPolarHBondContact O-CB 3.46Å; V466-S469 PolarHBondContact O-N 3.27Å; S469-I472 PolarHBondContact O-N 3.22Å; S469-L473 WeakPolarHBondContact O-CB 3.27Å; S469-L473 WeakPolarHBondContact O-CG 3.47Å; S469-L473 PolarHBondContact O-N 3.19Å
470	C	97.5	Very high	96.2	Very high	12 Å²	12	26.3 Å²	26.3	8%	0.081	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-52.4	175.8	-175.3	0	0	0	0	111.3	V466 N467 I472 L473 I474 L586	V466-C470 WeakPolarHBondContact O-CB 3.34Å; V466-C470 PolarHBondContact O-N 3.14Å; N467-C470 PolarHBondContact O-N 2.99Å; C470-I472 PolarHBondContact O-N 2.97Å; C470-L473 PolarHBondContact O-N 3.35Å; C470-I474 WeakPolarHBondContact O-CB 3.47Å; C470-I474 WeakPolarHBondContact O-CD1 3.44Å; C470-I474 WeakPolarHBondContact O-CG1 3.21Å; C470-I474 PolarHBondContact O-N 3.11Å; C470-I474 VanDerWaalsContact SG-CD1 3.56Å; C470-L586 HydrophobicContact CB-CB 4.4Å; C470-L586 HydrophobicContact CB-CD1 4.26Å; C470-L586 HydrophobicContact CB-CG 4.26Å
471	S	96.9	Very high	96.3	Very high	58 Å²	58	23.3 Å²	23.3	41%	0.406	13%	0.131	S	C	.	.	H	α-helix	trans	-59.6	-42.7	177.7	-177.7	0	0	0	0	112.5	N467 H468 I474 D475	N467-S471 WeakPolarHBondContact O-CB 3.33Å; N467-S471 PolarHBondContact O-N 3.32Å; H468-S471 PolarHBondContact O-N 2.93Å; S471-I474 PolarHBondContact O-N 3.24Å; S471-D475 VanDerWaalsContact O-CB 3.31Å; S471-D475 WeakPolarHBondContact O-CB 3.17Å; S471-D475 PolarHBondContact O-N 3.14Å
472	I	96.5	Very high	96.3	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-67.1	-43.2	-179.1	-70.5	166.3	0	0	0	111.4	Q413 L416 R417 I420 H468 S469 C470 D475 L476	Q413-I472 HydrophobicContact CG-CD1 4.07Å; L416-I472 HydrophobicContact CB-CD1 4.29Å; L416-I472 HydrophobicContact CD2-CD1 4Å; L416-I472 HydrophobicContact CG-CD1 4.1Å; R417-I472 HydrophobicContact CB-CD1 4.16Å; I420-I472 HydrophobicContact CD1-CG2 3.74Å; H468-I472 WeakPolarHBondContact O-CB 3.33Å; H468-I472 WeakPolarHBondContact O-CD1 3.45Å; H468-I472 WeakPolarHBondContact O-CG1 3.4Å; H468-I472 PolarHBondContact O-N 3.13Å; S469-I472 PolarHBondContact O-N 3.22Å; C470-I472 PolarHBondContact O-N 2.97Å; I472-D475 PolarHBondContact O-N 3.16Å; I472-L476 HydrophobicContact CG2-CD1 3.81Å; I472-L476 HydrophobicContact CG2-CG 4.31Å; I472-L476 WeakPolarHBondContact O-CB 3.07Å; I472-L476 PolarHBondContact O-N 3.2Å
473	L	97.9	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-64.1	-44.2	177.4	-72.2	178.1	0	0	0	111.5	I420 V442 F443 T446 S469 C470 M477 V478 I590	I420-L473 HydrophobicContact CD1-CD2 4.01Å; V442-L473 HydrophobicContact CG1-CD2 3.25Å; F443-L473 HydrophobicContact CE1-CD1 4.46Å; T446-L473 HydrophobicContact CG2-CD1 4.1Å; S469-L473 WeakPolarHBondContact O-CB 3.27Å; S469-L473 WeakPolarHBondContact O-CG 3.47Å; S469-L473 PolarHBondContact O-N 3.19Å; C470-L473 PolarHBondContact O-N 3.35Å; L473-M477 VanDerWaalsContact O-CB 3.31Å; L473-M477 WeakPolarHBondContact O-CB 3.29Å; L473-M477 PolarHBondContact O-N 3.38Å; L473-V478 PolarHBondContact O-N 3.26Å; L473-I590 HydrophobicContact CB-CD1 4.12Å; L473-I590 HydrophobicContact CD1-CD1 3.69Å
474	I	97.8	Very high	96.3	Very high	16 Å²	16	25.7 Å²	25.7	8%	0.082	14%	0.144	C	C	.	.	I	π-helix	trans	-59.3	-51.4	175.3	-77.8	165.3	0	0	0	110.7	C470 S471 V478 N479 S589 I590 Q593	C470-I474 WeakPolarHBondContact O-CB 3.47Å; C470-I474 WeakPolarHBondContact O-CD1 3.44Å; C470-I474 WeakPolarHBondContact O-CG1 3.21Å; C470-I474 PolarHBondContact O-N 3.11Å; C470-I474 VanDerWaalsContact SG-CD1 3.56Å; S471-I474 PolarHBondContact O-N 3.24Å; I474-V478 WeakPolarHBondContact O-CB 3.27Å; I474-N479 WeakPolarHBondContact CG2-ND2 3.25Å; I474-N479 WeakPolarHBondContact O-CB 3.46Å; I474-N479 PolarHBondContact O-N 3.4Å; I474-N479 PolarHBondContact O-ND2 3.06Å; I474-N479 VanDerWaalsContact O-ND2 3.1Å; I474-S589 WeakPolarHBondContact CD1-OG 2.88Å; I474-I590 HydrophobicContact CD1-CG1 4.28Å; I474-I590 HydrophobicContact CG1-CG1 4.09Å; I474-Q593 VanDerWaalsContact CG2-OE1 3.24Å
475	D	96.1	Very high	96.1	Very high	61 Å²	61	25.8 Å²	25.8	33%	0.326	14%	0.141	S	C	.	.	I	π-helix	trans	-68.2	-52.1	-174.7	-71.5	-18.1	0	0	0	111.9	S471 I472 D480	S471-D475 VanDerWaalsContact O-CB 3.31Å; S471-D475 WeakPolarHBondContact O-CB 3.17Å; S471-D475 PolarHBondContact O-N 3.14Å; I472-D475 PolarHBondContact O-N 3.16Å; D475-D480 VanDerWaalsContact O-CB 3.26Å; D475-D480 WeakPolarHBondContact O-CB 3.27Å; D475-D480 PolarHBondContact O-N 3.01Å
476	L	95.7	Very high	96	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.052	14%	0.143	C	C	.	.	I	π-helix	trans	-85.2	-52.3	-169.8	-61.8	-175	0	0	0	112.8	R417 I420 M421 L424 I472 F481	R417-L476 HydrophobicContact CG-CD1 4.02Å; I420-L476 HydrophobicContact CB-CD1 4.34Å; I420-L476 HydrophobicContact CG2-CB 4.16Å; I420-L476 HydrophobicContact CG2-CD1 3.84Å; M421-L476 HydrophobicContact CG-CD1 3.59Å; M421-L476 HydrophobicContact CG-CD2 4.23Å; L424-L476 HydrophobicContact CD1-CB 3.72Å; I472-L476 HydrophobicContact CG2-CD1 3.81Å; I472-L476 HydrophobicContact CG2-CG 4.31Å; I472-L476 WeakPolarHBondContact O-CB 3.07Å; I472-L476 PolarHBondContact O-N 3.2Å; L476-F481 PolarHBondContact O-N 3.4Å
477	M	96.4	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-79.3	-55.2	-174.6	-175.2	-172.8	77.7	0	0	110.4	F438 I439 V442 F443 L473 L482	F438-M477 HydrophobicContact CE2-CG 4.24Å; I439-M477 HydrophobicContact CD1-SD 4.19Å; V442-M477 HydrophobicContact CG1-SD 3.87Å; F443-M477 HydrophobicContact CE2-CE 4.1Å; F443-M477 HydrophobicContact CE2-SD 4.12Å; F443-M477 HydrophobicContact CZ-CE 4.11Å; L473-M477 VanDerWaalsContact O-CB 3.31Å; L473-M477 WeakPolarHBondContact O-CB 3.29Å; L473-M477 PolarHBondContact O-N 3.38Å; M477-L482 HydrophobicContact CG-CD1 4.14Å; M477-L482 WeakPolarHBondContact O-CG 3.32Å; M477-L482 PolarHBondContact O-N 2.85Å
478	V	97.5	Very high	95.6	Very high	2 Å²	2	37 Å²	37	1%	0.012	19%	0.191	C	C	.	.	I	π-helix	trans	-72.6	-53.4	-173.2	-175.2	0	0	0	0	111.2	L473 I474 G483 I590 Q593 L594 L597	L473-V478 PolarHBondContact O-N 3.26Å; I474-V478 WeakPolarHBondContact O-CB 3.27Å; V478-G483 VanDerWaalsContact O-CA 3.31Å; V478-G483 WeakPolarHBondContact O-CA 3.27Å; V478-G483 PolarHBondContact O-N 3.14Å; V478-I590 HydrophobicContact CG2-CG2 4.49Å; V478-Q593 HydrophobicContact CG1-CB 3.98Å; V478-L594 HydrophobicContact CG1-CD2 4.34Å; V478-L594 HydrophobicContact CG2-CD2 3.87Å; V478-L594 HydrophobicContact CG2-CG 4.17Å; V478-L597 HydrophobicContact CG1-CD2 4.41Å
479	N	95.8	Very high	95.2	Very high	65 Å²	65	34.8 Å²	34.8	35%	0.348	18%	0.183	S	C	.	.	I	π-helix	trans	-85.9	-50.2	-172.5	-70.3	-40.6	0	0	0	113.4	I474 G483 N484	I474-N479 WeakPolarHBondContact CG2-ND2 3.25Å; I474-N479 WeakPolarHBondContact O-CB 3.46Å; I474-N479 PolarHBondContact O-N 3.4Å; I474-N479 PolarHBondContact O-ND2 3.06Å; I474-N479 VanDerWaalsContact O-ND2 3.1Å; N479-G483 WeakPolarHBondContact O-CA 3.34Å; N479-N484 PolarHBondContact O-N 2.9Å
480	D	93.5	Very high	94.9	Very high	56 Å²	56	35.2 Å²	35.2	30%	0.299	19%	0.185	S	C	.	.	I	π-helix	trans	-80.8	-30.6	-173.8	-74.2	-18	0	0	0	113.5	K314 D475 N484	K314-D480 VanDerWaalsContact NZ-CG 3.35Å; K314-D480 IonicContact NZ-OD1 3.62Å; K314-D480 PolarHBondContact NZ-OD1 3.45Å; K314-D480 IonicContact NZ-OD2 3.4Å; K314-D480 PolarHBondContact NZ-OD2 3.35Å; K314-D480 VanDerWaalsContact NZ-OD2 3.12Å; D475-D480 VanDerWaalsContact O-CB 3.26Å; D475-D480 WeakPolarHBondContact O-CB 3.27Å; D475-D480 PolarHBondContact O-N 3.01Å; D480-N484 VanDerWaalsContact O-CB 3.31Å; D480-N484 WeakPolarHBondContact O-CB 3.43Å; D480-N484 PolarHBondContact O-ND2 3.45Å
481	F	95	Very high	94.4	Very high	31 Å²	31	35.9 Å²	35.9	14%	0.136	19%	0.189	C	C	.	.	I	π-helix	trans	-97.8	-72.1	177.1	-166.1	-81.6	0	0	0	112.3	L424 W436 F438 L476 G483 N484 I485	L424-F481 HydrophobicContact CB-CD2 4.34Å; L424-F481 HydrophobicContact CD2-CB 3.99Å; L424-F481 HydrophobicContact CD2-CD2 4.14Å; L424-F481 HydrophobicContact CD2-CG 4.02Å; L424-F481 WeakPolarHBondContact O-CE2 3.43Å; W436-F481 HydrophobicContact CD2-CE1 4.14Å; W436-F481 HydrophobicContact CD2-CZ 4.3Å; W436-F481 AromaticContact CE2-CE1 3.91Å; W436-F481 HydrophobicContact CE3-CZ 4.42Å; W436-F481 HydrophobicContact CG-CE1 4.34Å; W436-F481 HydrophobicContact CZ2-CE1 4.33Å; W436-F481 HydrophobicContact CZ2-CZ 4.38Å; W436-F481 AromaticContact NE1-CE1 3.91Å; F438-F481 HydrophobicContact CD1-CZ 4.36Å; F438-F481 AromaticContact CE1-CD1 3.77Å; F438-F481 HydrophobicContact CE1-CD1 3.77Å; F438-F481 HydrophobicContact CE1-CD2 4.49Å; F438-F481 AromaticContact CE1-CE1 3.27Å; F438-F481 HydrophobicContact CE1-CE1 3.27Å; F438-F481 HydrophobicContact CE1-CE2 4.05Å; F438-F481 HydrophobicContact CE1-CG 4.36Å; F438-F481 AromaticContact CE1-CZ 3.42Å; F438-F481 HydrophobicContact CE1-CZ 3.42Å; F438-F481 VanDerWaalsContact CE1-CZ 3.42Å; F438-F481 HydrophobicContact CE2-CD1 4.43Å; F438-F481 AromaticContact CZ-CD1 3.4Å; F438-F481 HydrophobicContact CZ-CD1 3.4Å; F438-F481 AromaticContact CZ-CE1 3.38Å; F438-F481 HydrophobicContact CZ-CE1 3.38Å; F438-F481 HydrophobicContact CZ-CG 4.04Å; F438-F481 AromaticContact CZ-CZ 3.98Å; F438-F481 HydrophobicContact CZ-CZ 3.98Å; L476-F481 PolarHBondContact O-N 3.4Å; F481-G483 PolarHBondContact O-N 3.24Å; F481-N484 PolarHBondContact O-N 3Å; F481-I485 HydrophobicContact CD1-CD1 4.07Å; F481-I485 HydrophobicContact CE1-CD1 3.61Å; F481-I485 HydrophobicContact CZ-CD1 4.22Å; F481-I485 PolarHBondContact O-N 3.15Å
482	L	96.2	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-63.2	-45	-174.6	-58.9	171.8	0	0	0	110.5	F438 M477 N484 I485 I486 T543 I547 L594 L597	F438-L482 HydrophobicContact CZ-CD2 4.37Å; M477-L482 HydrophobicContact CG-CD1 4.14Å; M477-L482 WeakPolarHBondContact O-CG 3.32Å; M477-L482 PolarHBondContact O-N 2.85Å; L482-N484 VanDerWaalsContact C-N 3.32Å; L482-N484 PolarHBondContact O-N 3.48Å; L482-I485 PolarHBondContact O-N 3.22Å; L482-I486 WeakPolarHBondContact O-CG1 3.44Å; L482-I486 PolarHBondContact O-N 3.15Å; L482-T543 HydrophobicContact CB-CG2 4.15Å; L482-T543 HydrophobicContact CD2-CG2 3.85Å; L482-I547 HydrophobicContact CD1-CG1 4.11Å; L482-L594 HydrophobicContact CD1-CD2 4.08Å; L482-L597 HydrophobicContact CB-CD2 3.68Å
483	G	96	Very high	92.3	Very high	6 Å²	6	39.8 Å²	39.8	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-37.1	179.4	0	0	0	0	0	113.6	V478 N479 F481 R487	V478-G483 VanDerWaalsContact O-CA 3.31Å; V478-G483 WeakPolarHBondContact O-CA 3.27Å; V478-G483 PolarHBondContact O-N 3.14Å; N479-G483 WeakPolarHBondContact O-CA 3.34Å; F481-G483 PolarHBondContact O-N 3.24Å; G483-R487 WeakPolarHBondContact O-CB 3.28Å; G483-R487 PolarHBondContact O-N 2.86Å
484	N	94	Very high	90.9	Very high	62 Å²	62	41 Å²	41	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-42.9	175.5	-80.9	-9.7	0	0	0	111.7	N479 D480 F481 L482 R487 T488	N479-N484 PolarHBondContact O-N 2.9Å; D480-N484 VanDerWaalsContact O-CB 3.31Å; D480-N484 WeakPolarHBondContact O-CB 3.43Å; D480-N484 PolarHBondContact O-ND2 3.45Å; F481-N484 PolarHBondContact O-N 3Å; L482-N484 VanDerWaalsContact C-N 3.32Å; L482-N484 PolarHBondContact O-N 3.48Å; N484-R487 PolarHBondContact O-N 3.39Å; N484-R487 PolarHBondContact OD1-NH2 3.12Å; N484-T488 WeakPolarHBondContact O-CG2 3.39Å; N484-T488 PolarHBondContact O-N 3.27Å; N484-T488 PolarHBondContact O-OG1 3.37Å
485	I	93.1	Very high	89.3	Confident	28 Å²	28	42.7 Å²	42.7	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-45.5	178.1	-62.5	169.6	0	0	0	110.7	W436 F481 L482 T488 T543	W436-I485 HydrophobicContact CZ2-CD1 4.04Å; F481-I485 HydrophobicContact CD1-CD1 4.07Å; F481-I485 HydrophobicContact CE1-CD1 3.61Å; F481-I485 HydrophobicContact CZ-CD1 4.22Å; F481-I485 PolarHBondContact O-N 3.15Å; L482-I485 PolarHBondContact O-N 3.22Å; I485-T488 PolarHBondContact O-N 3.44Å; I485-T488 PolarHBondContact O-OG1 3.5Å; I485-T543 HydrophobicContact CB-CG2 4.42Å; I485-T543 WeakPolarHBondContact CD1-OG1 3.38Å; I485-T543 HydrophobicContact CG2-CG2 4.44Å
486	I	94.5	Very high	87.8	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-42.3	178.6	-62.7	-49	0	0	0	111.3	L482 T488 G489 F540 T543 L544 I547 L597 A601	L482-I486 WeakPolarHBondContact O-CG1 3.44Å; L482-I486 PolarHBondContact O-N 3.15Å; I486-T488 VanDerWaalsContact C-N 3.33Å; I486-T488 PolarHBondContact O-N 2.94Å; I486-G489 WeakPolarHBondContact O-CA 3.43Å; I486-G489 PolarHBondContact O-N 3.03Å; I486-F540 HydrophobicContact CD1-CD2 4.13Å; I486-F540 HydrophobicContact CD1-CE2 3.81Å; I486-F540 HydrophobicContact CD1-CZ 4.04Å; I486-T543 HydrophobicContact CD1-CG2 3.68Å; I486-T543 HydrophobicContact CG1-CG2 3.92Å; I486-L544 HydrophobicContact CD1-CD1 4.06Å; I486-I547 HydrophobicContact CG1-CD1 4.47Å; I486-L597 HydrophobicContact CB-CD1 3.86Å; I486-L597 HydrophobicContact CB-CG 4.39Å; I486-L597 HydrophobicContact CG1-CD1 4.03Å; I486-L597 HydrophobicContact CG1-CD2 4.35Å; I486-L597 HydrophobicContact CG1-CG 4.01Å; I486-L597 HydrophobicContact CG2-CD1 3.97Å; I486-A601 HydrophobicContact CD1-CB 3.6Å; I486-A601 HydrophobicContact CG1-CB 4.14Å; I486-A601 HydrophobicContact CG2-CB 3.84Å
487	R	93.3	Very high	86.1	Confident	186 Å²	186	48.9 Å²	48.9	70%	0.702	27%	0.267	S	S	*	.	H	α-helix	trans	-68.4	-29.4	179.2	-171.1	170.7	66.1	-122.3	-1.6	113.2	G483 N484 G489	G483-R487 WeakPolarHBondContact O-CB 3.28Å; G483-R487 PolarHBondContact O-N 2.86Å; N484-R487 PolarHBondContact O-N 3.39Å; N484-R487 PolarHBondContact OD1-NH2 3.12Å; R487-G489 PolarHBondContact O-N 2.85Å
488	T	91.1	Very high	84.3	Confident	118 Å²	118	50.9 Å²	50.9	72%	0.724	28%	0.284	S	S	*	.	H	α-helix	trans	-65	-19.7	170.6	50.2	0	0	0	0	112.8	N484 I485 I486	N484-T488 WeakPolarHBondContact O-CG2 3.39Å; N484-T488 PolarHBondContact O-N 3.27Å; N484-T488 PolarHBondContact O-OG1 3.37Å; I485-T488 PolarHBondContact O-N 3.44Å; I485-T488 PolarHBondContact O-OG1 3.5Å; I486-T488 VanDerWaalsContact C-N 3.33Å; I486-T488 PolarHBondContact O-N 2.94Å
489	G	88.5	Confident	82.4	Confident	8 Å²	8	57.7 Å²	57.7	8%	0.082	31%	0.31	C	S	.	.			trans	79.1	172.5	175.6	0	0	0	0	0	113.6	I486 R487 P491 H604	I486-G489 WeakPolarHBondContact O-CA 3.43Å; I486-G489 PolarHBondContact O-N 3.03Å; R487-G489 PolarHBondContact O-N 2.85Å; G489-P491 WeakPolarHBondContact O-CD 3.27Å; G489-H604 VanDerWaalsContact CA-NE2 3.3Å; G489-H604 WeakPolarHBondContact CA-NE2 3.49Å
490	F	90.1	Very high	80.5	Confident	10 Å²	10	57 Å²	57	4%	0.044	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-84.1	118.2	177.2	-170.6	-96.3	0	0	0	109.5	S492 W494 F527 R537 F540 L541 H604 L605 V609 F657	F490-S492 PolarHBondContact O-N 3.16Å; F490-W494 HydrophobicContact CE1-CB 4.11Å; F490-W494 HydrophobicContact CE1-CG 4.13Å; F490-F527 HydrophobicContact CZ-CE1 4.41Å; F490-F527 HydrophobicContact CZ-CZ 4.46Å; F490-R537 HydrophobicContact CD1-CG 4.36Å; F490-R537 HydrophobicContact CD2-CB 4.39Å; F490-R537 HydrophobicContact CD2-CG 4.19Å; F490-R537 HydrophobicContact CE1-CG 3.88Å; F490-R537 HydrophobicContact CE2-CB 3.67Å; F490-R537 HydrophobicContact CE2-CG 3.69Å; F490-R537 HydrophobicContact CZ-CB 3.83Å; F490-R537 HydrophobicContact CZ-CG 3.54Å; F490-F540 HydrophobicContact CB-CD1 4.42Å; F490-F540 HydrophobicContact CB-CD2 4.39Å; F490-F540 HydrophobicContact CB-CE1 4.41Å; F490-F540 HydrophobicContact CB-CE2 4.38Å; F490-F540 HydrophobicContact CB-CG 4.42Å; F490-F540 HydrophobicContact CB-CZ 4.39Å; F490-F540 HydrophobicContact CD2-CB 4.07Å; F490-F540 AromaticContact CD2-CD1 3.65Å; F490-F540 HydrophobicContact CD2-CD1 3.65Å; F490-F540 HydrophobicContact CD2-CE1 4.25Å; F490-F540 AromaticContact CD2-CG 3.88Å; F490-F540 HydrophobicContact CD2-CG 3.88Å; F490-F540 HydrophobicContact CE2-CD1 4.47Å; F490-L541 HydrophobicContact CE2-CD2 4.28Å; F490-L541 HydrophobicContact CE2-CG 4.27Å; F490-H604 PolarHBondContact N-CD2 3.32Å; F490-H604 PolarHBondContact N-NE2 3.22Å; F490-L605 HydrophobicContact CB-CD2 4.09Å; F490-L605 HydrophobicContact CD1-CD2 4.41Å; F490-L605 HydrophobicContact CD2-CD2 3.8Å; F490-L605 HydrophobicContact CE2-CD2 4.29Å; F490-L605 HydrophobicContact CG-CD2 3.85Å; F490-V609 HydrophobicContact CD1-CG2 3.47Å; F490-V609 VanDerWaalsContact CD1-CG2 3.47Å; F490-V609 HydrophobicContact CE1-CG2 3.69Å; F490-V609 HydrophobicContact CG-CG2 4.28Å; F490-F657 HydrophobicContact CE2-CE1 4.31Å; F490-F657 AromaticContact CZ-CE1 3.97Å; F490-F657 HydrophobicContact CZ-CE1 3.97Å; F490-F657 HydrophobicContact CZ-CZ 4.16Å
491	P	85.8	Confident	78.6	Confident	25 Å²	25	58.7 Å²	58.7	16%	0.162	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-57.9	131	-175.8	-24.4	29.6	0	0	0	113.9	G489 N533 A536 R537	G489-P491 WeakPolarHBondContact O-CD 3.27Å; P491-N533 HydrophobicContact CB-CB 4.35Å; P491-A536 HydrophobicContact CG-CB 3.56Å; P491-R537 HydrophobicContact CB-CG 4.03Å; P491-R537 HydrophobicContact CG-CG 3.89Å; P491-R537 PolarHBondContact O-NE 2.96Å
492	S	78.8	Confident	76.7	Confident	104 Å²	104	61.2 Å²	61.2	73%	0.727	33%	0.331	S	S	*	.	S	Bend	trans	-63.8	168.9	175.4	59.5	0	0	0	0	113.1	F490 R537	F490-S492 PolarHBondContact O-N 3.16Å; S492-R537 PolarHBondContact O-NH2 3.17Å
493	G	70.6	Confident	74.7	Confident	40 Å²	40	68.2 Å²	68.2	41%	0.412	36%	0.364	S	S	.	.			trans	82.2	10.1	176.7	0	0	0	0	0	115	V495 Q496 D497 R537	G493-V495 PolarHBondContact O-N 3.49Å; G493-Q496 PolarHBondContact O-N 3.42Å; G493-Q496 VanDerWaalsContact O-N 3.14Å; G493-D497 PolarHBondContact O-N 3.4Å; G493-R537 VanDerWaalsContact C-NH2 3.3Å
494	W	68.7	Low	72.6	Confident	27 Å²	27	72.8 Å²	72.8	10%	0.102	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-32.1	-178.7	71.5	-83.2	0	0	0	113.1	F490 A498 R537 V609 Q613 F653 F657	F490-W494 HydrophobicContact CE1-CB 4.11Å; F490-W494 HydrophobicContact CE1-CG 4.13Å; W494-A498 WeakPolarHBondContact O-CB 3.4Å; W494-A498 PolarHBondContact O-N 3.38Å; W494-R537 VanDerWaalsContact CA-CZ 3.45Å; W494-V609 HydrophobicContact CD2-CG1 4.41Å; W494-V609 HydrophobicContact CH2-CG1 4.4Å; W494-V609 HydrophobicContact CZ2-CG1 3.66Å; W494-Q613 HydrophobicContact CH2-CG 4.3Å; W494-Q613 HydrophobicContact CZ2-CB 4.33Å; W494-Q613 HydrophobicContact CZ2-CG 4.46Å; W494-F653 AromaticContact CH2-CD2 3.15Å; W494-F653 HydrophobicContact CH2-CD2 3.15Å; W494-F653 AromaticContact CH2-CE2 3.18Å; W494-F653 HydrophobicContact CH2-CE2 3.18Å; W494-F653 HydrophobicContact CH2-CG 4.43Å; W494-F653 HydrophobicContact CH2-CZ 4.5Å; W494-F653 HydrophobicContact CZ2-CD2 4.09Å; W494-F653 AromaticContact CZ2-CE2 3.69Å; W494-F653 HydrophobicContact CZ2-CE2 3.69Å; W494-F653 AromaticContact CZ3-CD2 3.62Å; W494-F653 HydrophobicContact CZ3-CD2 3.62Å; W494-F653 AromaticContact CZ3-CE2 3.78Å; W494-F653 HydrophobicContact CZ3-CE2 3.78Å; W494-F657 HydrophobicContact CE3-CE2 4.37Å; W494-F657 HydrophobicContact CZ3-CE2 4.2Å
495	V	65	Low	70.6	Confident	50 Å²	50	72.3 Å²	72.3	30%	0.303	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-46.3	174.8	-180	0	0	0	0	111.3	G493 D497 A498 Y499	G493-V495 PolarHBondContact O-N 3.49Å; V495-D497 VanDerWaalsContact C-N 3.3Å; V495-D497 PolarHBondContact O-N 3.49Å; V495-A498 PolarHBondContact O-N 3.05Å; V495-Y499 HydrophobicContact CG1-CD2 3.73Å; V495-Y499 HydrophobicContact CG1-CE2 3.84Å; V495-Y499 WeakPolarHBondContact O-CD2 3.44Å; V495-Y499 PolarHBondContact O-N 3.12Å
496	Q	64	Low	68.6	Low	138 Å²	138	75.6 Å²	75.6	65%	0.645	41%	0.409	S	S	*	.	H	α-helix	trans	-63.2	-40.5	-179.2	-173	63.8	26.6	0	0	111.1	G493 Y499 S500	G493-Q496 PolarHBondContact O-N 3.42Å; G493-Q496 VanDerWaalsContact O-N 3.14Å; Q496-Y499 PolarHBondContact O-N 3.48Å; Q496-S500 WeakPolarHBondContact O-CB 3.35Å; Q496-S500 PolarHBondContact O-N 2.91Å
497	D	60.6	Low	66.5	Low	64 Å²	64	78.3 Å²	78.3	34%	0.342	43%	0.433	S	S	.	.	H	α-helix	trans	-68.2	-42.3	177.9	-64.4	-24.1	0	0	0	111.2	G493 V495 Y499 S500 Y501 R537	G493-D497 PolarHBondContact O-N 3.4Å; V495-D497 VanDerWaalsContact C-N 3.3Å; V495-D497 PolarHBondContact O-N 3.49Å; D497-Y499 PolarHBondContact O-N 2.89Å; D497-S500 WeakPolarHBondContact CA-OG 3.39Å; D497-S500 PolarHBondContact O-N 3.48Å; D497-S500 PolarHBondContact O-OG 2.87Å; D497-Y501 PolarHBondContact O-N 2.89Å; D497-R537 IonicContact OD2-CZ 3.49Å; D497-R537 IonicContact OD2-NH1 3.62Å; D497-R537 PolarHBondContact OD2-NH1 2.93Å; D497-R537 IonicContact OD2-NH2 3.62Å; D497-R537 PolarHBondContact OD2-NH2 3.48Å
498	A	58.6	Low	64.5	Low	42 Å²	42	73.5 Å²	73.5	35%	0.347	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.5	0	0	0	0	0	112	W494 V495 Y501 V502	W494-A498 WeakPolarHBondContact O-CB 3.4Å; W494-A498 PolarHBondContact O-N 3.38Å; V495-A498 PolarHBondContact O-N 3.05Å; A498-Y501 PolarHBondContact O-N 2.95Å; A498-V502 WeakPolarHBondContact O-CG2 3.49Å; A498-V502 PolarHBondContact O-N 2.94Å; A498-V502 VanDerWaalsContact O-N 3.1Å
499	Y	57.2	Low	62.4	Low	145 Å²	145	71.2 Å²	71.2	57%	0.569	42%	0.417	S	S	*	.	H	α-helix	trans	-62.6	-41.7	173.2	-94.1	-80.2	0	0	0	112.1	V495 Q496 D497 Y501 V502 Q503	V495-Y499 HydrophobicContact CG1-CD2 3.73Å; V495-Y499 HydrophobicContact CG1-CE2 3.84Å; V495-Y499 WeakPolarHBondContact O-CD2 3.44Å; V495-Y499 PolarHBondContact O-N 3.12Å; Q496-Y499 PolarHBondContact O-N 3.48Å; D497-Y499 PolarHBondContact O-N 2.89Å; Y499-Y501 VanDerWaalsContact C-N 3.32Å; Y499-Y501 PolarHBondContact O-N 2.73Å; Y499-V502 PolarHBondContact O-N 2.94Å; Y499-Q503 WeakPolarHBondContact O-CG 3.48Å; Y499-Q503 PolarHBondContact O-N 3.48Å
500	S	56.9	Low	60.5	Low	49 Å²	49	73.4 Å²	73.4	34%	0.343	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-34.5	177	79.2	0	0	0	0	112.6	Q496 D497 Q503 N504	Q496-S500 WeakPolarHBondContact O-CB 3.35Å; Q496-S500 PolarHBondContact O-N 2.91Å; D497-S500 WeakPolarHBondContact CA-OG 3.39Å; D497-S500 PolarHBondContact O-N 3.48Å; D497-S500 PolarHBondContact O-OG 2.87Å; S500-Q503 PolarHBondContact O-N 3.48Å; S500-N504 WeakPolarHBondContact O-CB 3.29Å; S500-N504 VanDerWaalsContact O-CG 3.3Å; S500-N504 PolarHBondContact O-N 3.42Å
501	Y	53.1	Low	58.3	Low	93 Å²	93	77.1 Å²	77.1	37%	0.365	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-46.5	174.3	176.4	-96.6	0	0	0	111.4	D497 A498 Y499 Q503 N504 S505 N528	D497-Y501 PolarHBondContact O-N 2.89Å; A498-Y501 PolarHBondContact O-N 2.95Å; Y499-Y501 VanDerWaalsContact C-N 3.32Å; Y499-Y501 PolarHBondContact O-N 2.73Å; Y501-Q503 VanDerWaalsContact C-N 3.33Å; Y501-Q503 PolarHBondContact O-N 2.98Å; Y501-N504 PolarHBondContact O-N 3.42Å; Y501-S505 VanDerWaalsContact O-CB 3.31Å; Y501-S505 WeakPolarHBondContact O-CB 3.3Å; Y501-S505 PolarHBondContact O-N 3.38Å; Y501-S505 PolarHBondContact O-OG 3.42Å; Y501-N528 HydrophobicContact CD2-CB 4.3Å; Y501-N528 HydrophobicContact CE2-CB 4.35Å
502	V	54.5	Low	56	Low	84 Å²	84	81.9 Å²	81.9	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-59.9	-45	175.7	176.3	0	0	0	0	110.2	A498 Y499 S505 V506	A498-V502 WeakPolarHBondContact O-CG2 3.49Å; A498-V502 PolarHBondContact O-N 2.94Å; A498-V502 VanDerWaalsContact O-N 3.1Å; Y499-V502 PolarHBondContact O-N 2.94Å; V502-S505 PolarHBondContact O-N 2.99Å; V502-S505 PolarHBondContact O-OG 2.97Å; V502-V506 VanDerWaalsContact O-CG2 3.23Å; V502-V506 WeakPolarHBondContact O-CG2 3.45Å; V502-V506 PolarHBondContact O-N 3.09Å
503	Q	53.8	Low	54	Low	147 Å²	147	82 Å²	82	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-42.5	177.1	-69.9	-137.7	-23.4	0	0	113.6	Y499 S500 Y501 V506 A507	Y499-Q503 WeakPolarHBondContact O-CG 3.48Å; Y499-Q503 PolarHBondContact O-N 3.48Å; S500-Q503 PolarHBondContact O-N 3.48Å; Y501-Q503 VanDerWaalsContact C-N 3.33Å; Y501-Q503 PolarHBondContact O-N 2.98Å; Q503-V506 PolarHBondContact O-N 2.9Å; Q503-A507 WeakPolarHBondContact O-CB 3.44Å; Q503-A507 PolarHBondContact O-N 3.31Å
504	N	52.4	Low	52.3	Low	101 Å²	101	85.1 Å²	85.1	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-69.2	-39.6	179.4	-76.5	-16.1	0	0	0	112	S500 Y501 V506 A507 V508	S500-N504 WeakPolarHBondContact O-CB 3.29Å; S500-N504 VanDerWaalsContact O-CG 3.3Å; S500-N504 PolarHBondContact O-N 3.42Å; Y501-N504 PolarHBondContact O-N 3.42Å; N504-V506 VanDerWaalsContact C-N 3.32Å; N504-V506 PolarHBondContact O-N 3.48Å; N504-A507 PolarHBondContact O-N 3.08Å; N504-V508 WeakPolarHBondContact O-CB 3.38Å; N504-V508 VanDerWaalsContact O-CG2 3.29Å; N504-V508 WeakPolarHBondContact O-CG2 3.13Å; N504-V508 PolarHBondContact O-N 3.42Å
505	S	51.4	Low	50.8	Low	52 Å²	52	89 Å²	89	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-38.5	175.3	65.1	0	0	0	0	111.8	Y501 V502 A509	Y501-S505 VanDerWaalsContact O-CB 3.31Å; Y501-S505 WeakPolarHBondContact O-CB 3.3Å; Y501-S505 PolarHBondContact O-N 3.38Å; Y501-S505 PolarHBondContact O-OG 3.42Å; V502-S505 PolarHBondContact O-N 2.99Å; V502-S505 PolarHBondContact O-OG 2.97Å; S505-A509 WeakPolarHBondContact O-CB 3.35Å; S505-A509 PolarHBondContact O-N 2.91Å
506	V	51.5	Low	49.4	Very low	98 Å²	98	92.9 Å²	92.9	59%	0.594	57%	0.567	S	S	*	*	H	α-helix	trans	-68	-40.9	173.2	173.8	0	0	0	0	111.7	V502 Q503 N504 A509 G510	V502-V506 VanDerWaalsContact O-CG2 3.23Å; V502-V506 WeakPolarHBondContact O-CG2 3.45Å; V502-V506 PolarHBondContact O-N 3.09Å; Q503-V506 PolarHBondContact O-N 2.9Å; N504-V506 VanDerWaalsContact C-N 3.32Å; N504-V506 PolarHBondContact O-N 3.48Å; V506-A509 PolarHBondContact O-N 3.37Å; V506-G510 PolarHBondContact O-N 2.95Å
507	A	51	Low	48	Very low	64 Å²	64	90.3 Å²	90.3	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-65.8	-39.6	177.1	0	0	0	0	0	112.6	Q503 N504 G510 S511	Q503-A507 WeakPolarHBondContact O-CB 3.44Å; Q503-A507 PolarHBondContact O-N 3.31Å; N504-A507 PolarHBondContact O-N 3.08Å; A507-G510 PolarHBondContact O-N 3.1Å; A507-S511 PolarHBondContact O-N 3.13Å
508	V	50.2	Low	46.8	Very low	85 Å²	85	95.8 Å²	95.8	52%	0.515	59%	0.592	S	S	.	*	H	α-helix	trans	-71.5	-41.1	176.5	174.2	0	0	0	0	110.9	N504 G510 S511 L512	N504-V508 WeakPolarHBondContact O-CB 3.38Å; N504-V508 VanDerWaalsContact O-CG2 3.29Å; N504-V508 WeakPolarHBondContact O-CG2 3.13Å; N504-V508 PolarHBondContact O-N 3.42Å; V508-G510 VanDerWaalsContact C-N 3.27Å; V508-G510 PolarHBondContact O-N 3.47Å; V508-S511 PolarHBondContact O-N 3.39Å; V508-S511 VanDerWaalsContact O-N 3.11Å; V508-S511 PolarHBondContact O-OG 3.42Å; V508-S511 VanDerWaalsContact O-OG 3.14Å; V508-L512 HydrophobicContact CG1-CD1 4Å; V508-L512 PolarHBondContact O-N 3.4Å
509	A	48.9	Very low	45.6	Very low	70 Å²	70	98.7 Å²	98.7	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-61.7	-34.8	174	0	0	0	0	0	112.3	S505 V506 S511	S505-A509 WeakPolarHBondContact O-CB 3.35Å; S505-A509 PolarHBondContact O-N 2.91Å; V506-A509 PolarHBondContact O-N 3.37Å; A509-S511 VanDerWaalsContact C-N 3.3Å; A509-S511 PolarHBondContact O-N 3.21Å
510	G	46.9	Very low	44.4	Very low	54 Å²	54	99 Å²	99	56%	0.557	62%	0.617	S	S	*	*	H	α-helix	trans	-64.3	-30.2	173.8	0	0	0	0	0	114.1	V506 A507 V508 S513	V506-G510 PolarHBondContact O-N 2.95Å; A507-G510 PolarHBondContact O-N 3.1Å; V508-G510 VanDerWaalsContact C-N 3.27Å; V508-G510 PolarHBondContact O-N 3.47Å; G510-S513 PolarHBondContact O-OG 3.19Å
511	S	45.4	Very low	43.1	Very low	88 Å²	88	102.1 Å²	102.1	62%	0.615	63%	0.633	S	S	*	*	H	α-helix	trans	-87.4	-11.7	-177.6	83.7	0	0	0	0	114.9	A507 V508 A509 S513	A507-S511 PolarHBondContact O-N 3.13Å; V508-S511 PolarHBondContact O-N 3.39Å; V508-S511 VanDerWaalsContact O-N 3.11Å; V508-S511 PolarHBondContact O-OG 3.42Å; V508-S511 VanDerWaalsContact O-OG 3.14Å; A509-S511 VanDerWaalsContact C-N 3.3Å; A509-S511 PolarHBondContact O-N 3.21Å; S511-S513 VanDerWaalsContact C-N 3.34Å; S511-S513 PolarHBondContact O-N 3.3Å
512	L	35.7	Very low	42.1	Very low	125 Å²	125	102.4 Å²	102.4	65%	0.654	65%	0.646	S	S	*	*			trans	-99.1	29.1	-176.5	-69.1	166.1	0	0	0	113.1	V508 S514	V508-L512 HydrophobicContact CG1-CD1 4Å; V508-L512 PolarHBondContact O-N 3.4Å; L512-S514 PolarHBondContact O-N 3.19Å
513	S	37.9	Very low	41.3	Very low	105 Å²	105	105.3 Å²	105.3	73%	0.734	67%	0.665	S	S	*	*			trans	-74.9	55.8	170.6	43	0	0	0	0	112.1	G510 S511	G510-S513 PolarHBondContact O-OG 3.19Å; S511-S513 VanDerWaalsContact C-N 3.34Å; S511-S513 PolarHBondContact O-N 3.3Å
514	S	35.3	Very low	40.6	Very low	106 Å²	106	102.3 Å²	102.3	74%	0.741	66%	0.656	S	S	*	*	S	Bend	trans	-179.5	77.9	158.5	51.6	0	0	0	0	112.1	L512	L512-S514 PolarHBondContact O-N 3.19Å
515	S	35.9	Very low	40.4	Very low	109 Å²	109	99.4 Å²	99.4	76%	0.762	64%	0.644	S	S	*	*			trans	176.8	119.1	138.4	-103.7	0	0	0	0	110.7	S517	S515-S517 PolarHBondContact O-N 3.04Å; S515-S517 VanDerWaalsContact O-N 3.08Å
516	S	36.6	Very low	40.5	Very low	131 Å²	131	98.8 Å²	98.8	92%	0.916	64%	0.639	S	S	*	*			trans	-68.3	94.8	170.6	50.5	0	0	0	0	110.4
517	S	34.2	Very low	40.7	Very low	85 Å²	85	94.7 Å²	94.7	59%	0.594	61%	0.614	S	S	*	*			trans	-141.6	124.1	157	43.8	0	0	0	0	108.5	S515 V519	S515-S517 PolarHBondContact O-N 3.04Å; S515-S517 VanDerWaalsContact O-N 3.08Å; S517-V519 PolarHBondContact O-N 2.74Å
518	I	35	Very low	40.7	Very low	178 Å²	178	94.8 Å²	94.8	91%	0.913	61%	0.605	S	S	*	*			trans	-65.1	80.7	172.9	-61.9	158.6	0	0	0	106.4
519	V	33.3	Very low	40.9	Very low	104 Å²	104	94.8 Å²	94.8	63%	0.63	60%	0.601	S	S	*	*			trans	-92.4	105.5	169.6	-173	0	0	0	0	104.9	S517 V521	S517-V519 PolarHBondContact O-N 2.74Å; V519-V521 PolarHBondContact O-N 3.37Å
520	N	32.5	Very low	41.1	Very low	151 Å²	151	97.8 Å²	97.8	81%	0.807	61%	0.606	S	S	*	*			trans	-54	92.7	165.4	-127.9	24	0	0	0	106.5	P522	N520-P522 WeakPolarHBondContact O-CD 3.44Å; N520-P522 VanDerWaalsContact O-N 3.09Å
521	V	28.9	Very low	41.9	Very low	115 Å²	115	97 Å²	97	70%	0.697	60%	0.597	S	S	*	*			trans	-65.6	110.2	171.4	179	0	0	0	0	104	V519 T523	V519-V521 PolarHBondContact O-N 3.37Å; V521-T523 PolarHBondContact O-N 2.95Å
522	P	32.6	Very low	43.1	Very low	98 Å²	98	97.9 Å²	97.9	64%	0.636	60%	0.601	S	S	*	*			trans	-57.3	132.9	174.4	21.4	-23.1	0	0	0	105.7	N520 V524	N520-P522 WeakPolarHBondContact O-CD 3.44Å; N520-P522 VanDerWaalsContact O-N 3.09Å; P522-V524 VanDerWaalsContact O-CG2 3.32Å; P522-V524 WeakPolarHBondContact O-CG2 3.19Å; P522-V524 PolarHBondContact O-N 3Å
523	T	38.2	Very low	45.2	Very low	145 Å²	145	96.1 Å²	96.1	89%	0.89	59%	0.592	S	S	*	*			trans	-59.3	82.4	175.3	47.3	0	0	0	0	108.3	V521 S525	V521-T523 PolarHBondContact O-N 2.95Å; T523-S525 PolarHBondContact O-N 2.93Å
524	V	38.8	Very low	47.2	Very low	85 Å²	85	91.7 Å²	91.7	52%	0.515	56%	0.561	S	S	.	*			trans	-64.1	127.6	173.8	-176.7	0	0	0	0	105.4	P522 S526	P522-V524 VanDerWaalsContact O-CG2 3.32Å; P522-V524 WeakPolarHBondContact O-CG2 3.19Å; P522-V524 PolarHBondContact O-N 3Å; V524-S526 PolarHBondContact O-N 3.46Å
525	S	48.4	Very low	49.6	Very low	39 Å²	39	90 Å²	90	27%	0.273	54%	0.544	S	S	.	.			trans	-40.9	131.9	-178.2	40.8	0	0	0	0	111.7	T523 F527 N528	T523-S525 PolarHBondContact O-N 2.93Å; S525-F527 CarbonylContact O-C 3.52Å; S525-F527 VanDerWaalsContact O-C 3.22Å; S525-F527 PolarHBondContact O-N 3.38Å; S525-N528 PolarHBondContact O-N 3.47Å
526	S	52.3	Low	52.1	Low	39 Å²	39	86.7 Å²	86.7	27%	0.273	52%	0.523	S	S	.	.	S	Bend	trans	-58.1	-21.1	-176.7	-52	0	0	0	0	112.9	V524 N528	V524-S526 PolarHBondContact O-N 3.46Å; S526-N528 PolarHBondContact O-N 3.27Å
527	F	56	Low	54.6	Low	13 Å²	13	80.7 Å²	80.7	6%	0.057	48%	0.48	C	S	.	.	S	Bend	trans	-77.8	71.7	161	-62.4	-78.2	0	0	0	109.5	F490 S525 M529 R537 L541 P656 V660	F490-F527 HydrophobicContact CZ-CE1 4.41Å; F490-F527 HydrophobicContact CZ-CZ 4.46Å; S525-F527 CarbonylContact O-C 3.52Å; S525-F527 VanDerWaalsContact O-C 3.22Å; S525-F527 PolarHBondContact O-N 3.38Å; F527-M529 PolarHBondContact O-N 2.87Å; F527-R537 HydrophobicContact CD1-CB 4.04Å; F527-R537 HydrophobicContact CE1-CB 3.89Å; F527-L541 HydrophobicContact CD2-CD1 4.16Å; F527-L541 HydrophobicContact CE2-CD1 3.3Å; F527-L541 HydrophobicContact CZ-CD1 3.63Å; F527-P656 HydrophobicContact CE2-CB 3.92Å; F527-P656 WeakPolarHBondContact CE2-O 3.46Å; F527-P656 HydrophobicContact CZ-CB 4.04Å; F527-V660 HydrophobicContact CD2-CG2 3.74Å; F527-V660 HydrophobicContact CE2-CG2 4.11Å
528	N	51	Low	57.2	Low	65 Å²	65	77.4 Å²	77.4	35%	0.348	46%	0.455	S	S	.	.			trans	-56.3	127	171.2	-147.7	0.8	0	0	0	107.2	Y501 S525 S526 I530 S534	Y501-N528 HydrophobicContact CD2-CB 4.3Å; Y501-N528 HydrophobicContact CE2-CB 4.35Å; S525-N528 PolarHBondContact O-N 3.47Å; S526-N528 PolarHBondContact O-N 3.27Å; N528-I530 HydrophobicContact CB-CD1 4.39Å; N528-I530 HydrophobicContact CB-CG1 4.36Å; N528-I530 WeakPolarHBondContact ND2-CD1 3.21Å; N528-I530 PolarHBondContact O-N 3.37Å; N528-S534 WeakPolarHBondContact O-CB 3.22Å; N528-S534 PolarHBondContact O-OG 3.36Å
529	M	54.5	Low	60	Low	86 Å²	86	70.9 Å²	70.9	42%	0.424	42%	0.42	S	S	.	.			trans	-71.9	36	-172.1	-69.3	-71.7	-137.4	0	0	113.1	F527 G531 L535 Y538	F527-M529 PolarHBondContact O-N 2.87Å; M529-G531 PolarHBondContact O-N 3.33Å; M529-L535 HydrophobicContact CE-CD1 3.95Å; M529-L535 HydrophobicContact CE-CG 4.08Å; M529-L535 HydrophobicContact SD-CB 3.78Å; M529-L535 HydrophobicContact SD-CD1 3.91Å; M529-L535 HydrophobicContact SD-CG 3.92Å; M529-Y538 HydrophobicContact CE-CD1 3.21Å; M529-Y538 HydrophobicContact CE-CE1 3.75Å; M529-Y538 HydrophobicContact CE-CG 3.88Å; M529-Y538 HydrophobicContact SD-CD1 4.28Å; M529-Y538 HydrophobicContact SD-CG 4.41Å
530	I	53.4	Low	62.9	Low	133 Å²	133	66 Å²	66	68%	0.682	39%	0.39	S	S	*	.			trans	-89.5	90.3	179.2	-52.5	175.6	0	0	0	107.2	N528	N528-I530 HydrophobicContact CB-CD1 4.39Å; N528-I530 HydrophobicContact CB-CG1 4.36Å; N528-I530 WeakPolarHBondContact ND2-CD1 3.21Å; N528-I530 PolarHBondContact O-N 3.37Å
531	G	64.1	Low	65.8	Low	37 Å²	37	58.8 Å²	58.8	38%	0.381	35%	0.352	S	S	.	.	S	Bend	trans	107.2	157	171.8	0	0	0	0	0	115	M529 N533 S534 L535	M529-G531 PolarHBondContact O-N 3.33Å; G531-N533 VanDerWaalsContact C-N 3.3Å; G531-N533 PolarHBondContact O-N 2.88Å; G531-S534 PolarHBondContact O-N 3.11Å; G531-L535 PolarHBondContact O-N 2.98Å
532	P	70.2	Confident	69	Low	107 Å²	107	53.3 Å²	53.3	70%	0.695	32%	0.319	S	S	*	.	H	α-helix	trans	-63.4	-33.1	-170.2	24.4	-34.2	0	0	0	113.2	A536	P532-A536 WeakPolarHBondContact O-CB 3.19Å; P532-A536 PolarHBondContact O-N 3.14Å
533	N	80.1	Confident	72	Confident	88 Å²	88	48.6 Å²	48.6	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-70.3	-36.8	179.2	-70.2	-14	0	0	0	112.5	P491 G531 R537	P491-N533 HydrophobicContact CB-CB 4.35Å; G531-N533 VanDerWaalsContact C-N 3.3Å; G531-N533 PolarHBondContact O-N 2.88Å; N533-R537 WeakPolarHBondContact O-CG 3.32Å; N533-R537 PolarHBondContact O-N 3.37Å
534	S	80.8	Confident	74.8	Confident	12 Å²	12	41.7 Å²	41.7	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-44.1	177.7	-168.7	0	0	0	0	110.7	N528 G531 R537 Y538	N528-S534 WeakPolarHBondContact O-CB 3.22Å; N528-S534 PolarHBondContact O-OG 3.36Å; G531-S534 PolarHBondContact O-N 3.11Å; S534-R537 PolarHBondContact O-N 2.82Å; S534-Y538 PolarHBondContact O-N 3.44Å
535	L	84.4	Confident	77.6	Confident	71 Å²	71	37.8 Å²	37.8	37%	0.372	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-43	176.1	-175.4	138.4	0	0	0	112.2	M529 G531 R537 Y538 H539	M529-L535 HydrophobicContact CE-CD1 3.95Å; M529-L535 HydrophobicContact CE-CG 4.08Å; M529-L535 HydrophobicContact SD-CB 3.78Å; M529-L535 HydrophobicContact SD-CD1 3.91Å; M529-L535 HydrophobicContact SD-CG 3.92Å; G531-L535 PolarHBondContact O-N 2.98Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-R537 PolarHBondContact O-N 2.77Å; L535-Y538 PolarHBondContact O-N 3.35Å; L535-H539 VanDerWaalsContact CD2-CE1 3.43Å; L535-H539 WeakPolarHBondContact CD2-CE1 3.48Å; L535-H539 WeakPolarHBondContact CD2-NE2 3.33Å; L535-H539 WeakPolarHBondContact O-CB 3.28Å; L535-H539 PolarHBondContact O-CD2 3.48Å; L535-H539 PolarHBondContact O-N 3.41Å
536	A	88.2	Confident	79.9	Confident	39 Å²	39	35.9 Å²	35.9	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-35.7	175.4	0	0	0	0	0	113	P491 P532 F540	P491-A536 HydrophobicContact CG-CB 3.56Å; P532-A536 WeakPolarHBondContact O-CB 3.19Å; P532-A536 PolarHBondContact O-N 3.14Å; A536-F540 WeakPolarHBondContact O-CB 3.29Å; A536-F540 PolarHBondContact O-N 3.39Å
537	R	88.9	Confident	82	Confident	4 Å²	4	34 Å²	34	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-43.2	172.3	-70.5	177.1	-154.2	127.9	1.4	111.9	F490 P491 S492 G493 W494 D497 F527 N533 S534 L535 F540 L541	F490-R537 HydrophobicContact CD1-CG 4.36Å; F490-R537 HydrophobicContact CD2-CB 4.39Å; F490-R537 HydrophobicContact CD2-CG 4.19Å; F490-R537 HydrophobicContact CE1-CG 3.88Å; F490-R537 HydrophobicContact CE2-CB 3.67Å; F490-R537 HydrophobicContact CE2-CG 3.69Å; F490-R537 HydrophobicContact CZ-CB 3.83Å; F490-R537 HydrophobicContact CZ-CG 3.54Å; P491-R537 HydrophobicContact CB-CG 4.03Å; P491-R537 HydrophobicContact CG-CG 3.89Å; P491-R537 PolarHBondContact O-NE 2.96Å; S492-R537 PolarHBondContact O-NH2 3.17Å; G493-R537 VanDerWaalsContact C-NH2 3.3Å; W494-R537 VanDerWaalsContact CA-CZ 3.45Å; D497-R537 IonicContact OD2-CZ 3.49Å; D497-R537 IonicContact OD2-NH1 3.62Å; D497-R537 PolarHBondContact OD2-NH1 2.93Å; D497-R537 IonicContact OD2-NH2 3.62Å; D497-R537 PolarHBondContact OD2-NH2 3.48Å; F527-R537 HydrophobicContact CD1-CB 4.04Å; F527-R537 HydrophobicContact CE1-CB 3.89Å; N533-R537 WeakPolarHBondContact O-CG 3.32Å; N533-R537 PolarHBondContact O-N 3.37Å; S534-R537 PolarHBondContact O-N 2.82Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-R537 PolarHBondContact O-N 2.77Å; R537-F540 WeakPolarHBondContact O-CB 3.49Å; R537-F540 PolarHBondContact O-N 2.92Å; R537-L541 WeakPolarHBondContact O-CG 3.3Å; R537-L541 PolarHBondContact O-N 3.27Å; R537-L541 VanDerWaalsContact O-N 3.1Å
538	Y	90.6	Very high	83.9	Confident	16 Å²	16	34.2 Å²	34.2	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-47.8	175.1	179.7	-109.1	0	0	0	110.8	V429 N434 M529 S534 L535 F540 L541 V542 V660	V429-Y538 HydrophobicContact CB-CE1 4.45Å; V429-Y538 HydrophobicContact CG1-CE1 4.21Å; V429-Y538 WeakPolarHBondContact CG1-OH 3.36Å; V429-Y538 HydrophobicContact CG2-CE1 4.37Å; N434-Y538 PolarHBondContact OD1-OH 3.23Å; M529-Y538 HydrophobicContact CE-CD1 3.21Å; M529-Y538 HydrophobicContact CE-CE1 3.75Å; M529-Y538 HydrophobicContact CE-CG 3.88Å; M529-Y538 HydrophobicContact SD-CD1 4.28Å; M529-Y538 HydrophobicContact SD-CG 4.41Å; S534-Y538 PolarHBondContact O-N 3.44Å; L535-Y538 PolarHBondContact O-N 3.35Å; Y538-F540 VanDerWaalsContact C-N 3.31Å; Y538-F540 PolarHBondContact O-N 3.13Å; Y538-L541 PolarHBondContact O-N 2.98Å; Y538-L541 VanDerWaalsContact O-N 3.15Å; Y538-V542 HydrophobicContact CD1-CG2 4Å; Y538-V542 HydrophobicContact CD2-CG2 4.17Å; Y538-V542 HydrophobicContact CE1-CG2 3.64Å; Y538-V542 HydrophobicContact CE2-CG2 3.8Å; Y538-V542 HydrophobicContact CG-CG2 4.27Å; Y538-V542 VanDerWaalsContact O-CG2 3.29Å; Y538-V542 WeakPolarHBondContact O-CG2 3.48Å; Y538-V542 PolarHBondContact O-N 3.22Å; Y538-V660 HydrophobicContact CD2-CG1 3.93Å; Y538-V660 HydrophobicContact CD2-CG2 3.91Å; Y538-V660 HydrophobicContact CE2-CG1 3.79Å; Y538-V660 HydrophobicContact CE2-CG2 4.03Å
539	H	92	Very high	86.1	Confident	41 Å²	41	32 Å²	32	19%	0.19	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-39.3	178	-73.1	-154.8	0	0	0	111.9	W436 L535 T543	W436-H539 HydrophobicContact CH2-CB 4.45Å; W436-H539 AromaticContact CH2-CE1 3.6Å; W436-H539 AromaticContact CH2-CG 3.8Å; W436-H539 AromaticContact CH2-ND1 3.48Å; W436-H539 WeakPolarHBondContact CH2-ND1 3.2Å; W436-H539 AromaticContact CH2-NE2 4Å; W436-H539 HydrophobicContact CZ2-CB 4.01Å; W436-H539 AromaticContact CZ2-CG 3.86Å; W436-H539 AromaticContact CZ2-ND1 3.87Å; L535-H539 VanDerWaalsContact CD2-CE1 3.43Å; L535-H539 WeakPolarHBondContact CD2-CE1 3.48Å; L535-H539 WeakPolarHBondContact CD2-NE2 3.33Å; L535-H539 WeakPolarHBondContact O-CB 3.28Å; L535-H539 PolarHBondContact O-CD2 3.48Å; L535-H539 PolarHBondContact O-N 3.41Å; H539-T543 WeakPolarHBondContact O-CB 3.38Å; H539-T543 PolarHBondContact O-N 2.67Å; H539-T543 PolarHBondContact O-OG1 2.89Å
540	F	94.6	Very high	88.1	Confident	1 Å²	1	27.9 Å²	27.9	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-49.7	174.4	-172.7	-82.1	0	0	0	110.9	I486 F490 A536 R537 Y538 T543 L544 A601 L605	I486-F540 HydrophobicContact CD1-CD2 4.13Å; I486-F540 HydrophobicContact CD1-CE2 3.81Å; I486-F540 HydrophobicContact CD1-CZ 4.04Å; F490-F540 HydrophobicContact CB-CD1 4.42Å; F490-F540 HydrophobicContact CB-CD2 4.39Å; F490-F540 HydrophobicContact CB-CE1 4.41Å; F490-F540 HydrophobicContact CB-CE2 4.38Å; F490-F540 HydrophobicContact CB-CG 4.42Å; F490-F540 HydrophobicContact CB-CZ 4.39Å; F490-F540 HydrophobicContact CD2-CB 4.07Å; F490-F540 AromaticContact CD2-CD1 3.65Å; F490-F540 HydrophobicContact CD2-CD1 3.65Å; F490-F540 HydrophobicContact CD2-CE1 4.25Å; F490-F540 AromaticContact CD2-CG 3.88Å; F490-F540 HydrophobicContact CD2-CG 3.88Å; F490-F540 HydrophobicContact CE2-CD1 4.47Å; A536-F540 WeakPolarHBondContact O-CB 3.29Å; A536-F540 PolarHBondContact O-N 3.39Å; R537-F540 WeakPolarHBondContact O-CB 3.49Å; R537-F540 PolarHBondContact O-N 2.92Å; Y538-F540 VanDerWaalsContact C-N 3.31Å; Y538-F540 PolarHBondContact O-N 3.13Å; F540-T543 WeakPolarHBondContact O-CB 3.4Å; F540-T543 PolarHBondContact O-N 3.05Å; F540-L544 HydrophobicContact CD1-CD1 3.63Å; F540-L544 HydrophobicContact CE1-CD1 3.5Å; F540-L544 HydrophobicContact CG-CD1 4.49Å; F540-L544 HydrophobicContact CZ-CD1 4.28Å; F540-L544 WeakPolarHBondContact O-CD1 3.21Å; F540-L544 PolarHBondContact O-N 3.38Å; F540-A601 HydrophobicContact CE1-CB 4.48Å; F540-A601 HydrophobicContact CZ-CB 4.04Å; F540-L605 HydrophobicContact CD1-CD2 4.31Å; F540-L605 HydrophobicContact CE1-CD1 3.94Å; F540-L605 HydrophobicContact CE1-CD2 3.76Å; F540-L605 HydrophobicContact CE1-CG 3.68Å; F540-L605 HydrophobicContact CZ-CG 4.28Å
541	L	94.9	Very high	90.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-39.5	-179.7	-61.7	178	0	0	0	113	F490 F527 R537 Y538 T543 L544 N545 F657 V660 L661	F490-L541 HydrophobicContact CE2-CD2 4.28Å; F490-L541 HydrophobicContact CE2-CG 4.27Å; F527-L541 HydrophobicContact CD2-CD1 4.16Å; F527-L541 HydrophobicContact CE2-CD1 3.3Å; F527-L541 HydrophobicContact CZ-CD1 3.63Å; R537-L541 WeakPolarHBondContact O-CG 3.3Å; R537-L541 PolarHBondContact O-N 3.27Å; R537-L541 VanDerWaalsContact O-N 3.1Å; Y538-L541 PolarHBondContact O-N 2.98Å; Y538-L541 VanDerWaalsContact O-N 3.15Å; L541-T543 VanDerWaalsContact C-N 3.26Å; L541-T543 PolarHBondContact O-N 3.31Å; L541-L544 WeakPolarHBondContact O-CB 3.06Å; L541-L544 PolarHBondContact O-N 3.09Å; L541-N545 PolarHBondContact O-N 3.34Å; L541-F657 HydrophobicContact CD1-CD1 3.98Å; L541-F657 HydrophobicContact CD1-CE1 4.4Å; L541-F657 HydrophobicContact CD2-CD1 3.86Å; L541-F657 HydrophobicContact CD2-CE1 4.16Å; L541-V660 HydrophobicContact CB-CB 4.19Å; L541-V660 HydrophobicContact CB-CG1 3.64Å; L541-V660 HydrophobicContact CD1-CB 4.1Å; L541-V660 HydrophobicContact CD1-CG1 4.38Å; L541-V660 HydrophobicContact CD1-CG2 4.34Å; L541-L661 HydrophobicContact CB-CD2 4.11Å; L541-L661 HydrophobicContact CD2-CD1 4.49Å; L541-L661 HydrophobicContact CD2-CD2 3.88Å; L541-L661 HydrophobicContact CD2-CG 4.25Å
542	V	94.8	Very high	91.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-38.1	172.9	169.3	0	0	0	0	110.9	V429 N434 W436 Y538 L544 N545 S546 V660	V429-V542 HydrophobicContact CG1-CB 4.48Å; V429-V542 HydrophobicContact CG1-CG1 3.7Å; V429-V542 HydrophobicContact CG1-CG2 3.89Å; V429-V542 HydrophobicContact CG2-CG1 3.98Å; N434-V542 HydrophobicContact CB-CG2 4.27Å; W436-V542 HydrophobicContact CD2-CG1 4.03Å; W436-V542 HydrophobicContact CG-CG1 4.02Å; W436-V542 HydrophobicContact CZ2-CG1 4.44Å; Y538-V542 HydrophobicContact CD1-CG2 4Å; Y538-V542 HydrophobicContact CD2-CG2 4.17Å; Y538-V542 HydrophobicContact CE1-CG2 3.64Å; Y538-V542 HydrophobicContact CE2-CG2 3.8Å; Y538-V542 HydrophobicContact CG-CG2 4.27Å; Y538-V542 VanDerWaalsContact O-CG2 3.29Å; Y538-V542 WeakPolarHBondContact O-CG2 3.48Å; Y538-V542 PolarHBondContact O-N 3.22Å; V542-L544 VanDerWaalsContact C-N 3.33Å; V542-L544 PolarHBondContact O-N 3.47Å; V542-N545 PolarHBondContact O-N 3.43Å; V542-S546 WeakPolarHBondContact O-CB 3.1Å; V542-S546 PolarHBondContact O-N 3.4Å; V542-S546 PolarHBondContact O-OG 3.05Å; V542-V660 HydrophobicContact CG2-CG1 4.18Å
543	T	96	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-36.7	176	-68.9	0	0	0	0	112.2	W436 L482 I485 I486 H539 F540 L541 S546 I547	W436-T543 PolarHBondContact NE1-OG1 3.44Å; W436-T543 VanDerWaalsContact NE1-OG1 3.12Å; L482-T543 HydrophobicContact CB-CG2 4.15Å; L482-T543 HydrophobicContact CD2-CG2 3.85Å; I485-T543 HydrophobicContact CB-CG2 4.42Å; I485-T543 WeakPolarHBondContact CD1-OG1 3.38Å; I485-T543 HydrophobicContact CG2-CG2 4.44Å; I486-T543 HydrophobicContact CD1-CG2 3.68Å; I486-T543 HydrophobicContact CG1-CG2 3.92Å; H539-T543 WeakPolarHBondContact O-CB 3.38Å; H539-T543 PolarHBondContact O-N 2.67Å; H539-T543 PolarHBondContact O-OG1 2.89Å; F540-T543 WeakPolarHBondContact O-CB 3.4Å; F540-T543 PolarHBondContact O-N 3.05Å; L541-T543 VanDerWaalsContact C-N 3.26Å; L541-T543 PolarHBondContact O-N 3.31Å; T543-S546 PolarHBondContact O-N 2.89Å; T543-I547 HydrophobicContact CG2-CD1 4.17Å; T543-I547 VanDerWaalsContact O-CG1 3.29Å; T543-I547 WeakPolarHBondContact O-CG1 3.03Å; T543-I547 PolarHBondContact O-N 3.15Å
544	L	97.2	Very high	93.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-47	174.4	-81.6	74.9	0	0	0	111.4	I486 F540 L541 V542 S546 I547 E548 L598 A601 F602 L605 L661 N665	I486-L544 HydrophobicContact CD1-CD1 4.06Å; F540-L544 HydrophobicContact CD1-CD1 3.63Å; F540-L544 HydrophobicContact CE1-CD1 3.5Å; F540-L544 HydrophobicContact CG-CD1 4.49Å; F540-L544 HydrophobicContact CZ-CD1 4.28Å; F540-L544 WeakPolarHBondContact O-CD1 3.21Å; F540-L544 PolarHBondContact O-N 3.38Å; L541-L544 WeakPolarHBondContact O-CB 3.06Å; L541-L544 PolarHBondContact O-N 3.09Å; V542-L544 VanDerWaalsContact C-N 3.33Å; V542-L544 PolarHBondContact O-N 3.47Å; L544-S546 VanDerWaalsContact C-N 3.25Å; L544-S546 PolarHBondContact O-N 3.35Å; L544-I547 PolarHBondContact O-N 3.34Å; L544-E548 PolarHBondContact O-N 3.32Å; L544-L598 HydrophobicContact CB-CD1 4.26Å; L544-L598 HydrophobicContact CG-CD1 4.12Å; L544-A601 HydrophobicContact CD1-CB 4.06Å; L544-A601 HydrophobicContact CG-CB 4.24Å; L544-F602 HydrophobicContact CD2-CD1 4.48Å; L544-F602 HydrophobicContact CD2-CD2 4.25Å; L544-F602 HydrophobicContact CD2-CE1 4.03Å; L544-F602 HydrophobicContact CD2-CE2 3.75Å; L544-F602 HydrophobicContact CD2-CZ 3.64Å; L544-L605 HydrophobicContact CD2-CD1 3.92Å; L544-L661 HydrophobicContact CB-CD2 4.23Å; L544-L661 HydrophobicContact CD2-CD2 4.24Å; L544-N665 PolarHBondContact O-ND2 3.36Å; L544-N665 VanDerWaalsContact O-ND2 3.13Å
545	N	96.9	Very high	94.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.011	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-36	176.1	-63.8	-11.5	0	0	0	111.7	N434 V435 L541 V542 E548 A549 V660 L661 S662 N665	N434-N545 WeakPolarHBondContact O-CB 3.3Å; N434-N545 PolarHBondContact O-ND2 3.24Å; N434-N545 VanDerWaalsContact O-ND2 3.12Å; V435-N545 HydrophobicContact CG2-CB 3.92Å; L541-N545 PolarHBondContact O-N 3.34Å; V542-N545 PolarHBondContact O-N 3.43Å; N545-E548 WeakPolarHBondContact O-CB 3.3Å; N545-E548 PolarHBondContact O-N 2.87Å; N545-A549 WeakPolarHBondContact O-CB 3.21Å; N545-A549 PolarHBondContact O-N 3.36Å; N545-V660 PolarHBondContact ND2-O 3Å; N545-L661 WeakPolarHBondContact OD1-CA 3.36Å; N545-S662 PolarHBondContact OD1-N 3.06Å; N545-N665 WeakPolarHBondContact CA-ND2 3.25Å; N545-N665 PolarHBondContact N-ND2 3.42Å; N545-N665 PolarHBondContact OD1-ND2 2.86Å
546	S	96.6	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.1	-30	-179.4	-56.3	0	0	0	0	112.6	W436 V542 T543 L544 S550	W436-S546 PolarHBondContact N-OG 3.49Å; V542-S546 WeakPolarHBondContact O-CB 3.1Å; V542-S546 PolarHBondContact O-N 3.4Å; V542-S546 PolarHBondContact O-OG 3.05Å; T543-S546 PolarHBondContact O-N 2.89Å; L544-S546 VanDerWaalsContact C-N 3.25Å; L544-S546 PolarHBondContact O-N 3.35Å; S546-S550 WeakPolarHBondContact O-CB 3.31Å; S546-S550 PolarHBondContact O-N 3.38Å; S546-S550 PolarHBondContact O-OG 2.89Å
547	I	97.8	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-46	170.3	-70.4	163.1	0	0	0	110.1	L482 I486 T543 L544 S550 Q551 L594 L597 L598	L482-I547 HydrophobicContact CD1-CG1 4.11Å; I486-I547 HydrophobicContact CG1-CD1 4.47Å; T543-I547 HydrophobicContact CG2-CD1 4.17Å; T543-I547 VanDerWaalsContact O-CG1 3.29Å; T543-I547 WeakPolarHBondContact O-CG1 3.03Å; T543-I547 PolarHBondContact O-N 3.15Å; L544-I547 PolarHBondContact O-N 3.34Å; I547-S550 WeakPolarHBondContact O-CB 3.44Å; I547-S550 PolarHBondContact O-N 3.13Å; I547-Q551 WeakPolarHBondContact O-CG 3.4Å; I547-Q551 PolarHBondContact O-N 2.78Å; I547-L594 HydrophobicContact CG1-CD2 4.44Å; I547-L594 HydrophobicContact CG2-CB 4.06Å; I547-L594 HydrophobicContact CG2-CD2 4.14Å; I547-L594 WeakPolarHBondContact CG2-O 3.14Å; I547-L597 HydrophobicContact CD1-CB 4.41Å; I547-L597 HydrophobicContact CD1-CD2 3.82Å; I547-L597 HydrophobicContact CD1-CG 3.96Å; I547-L597 HydrophobicContact CG1-CD2 4.32Å; I547-L598 HydrophobicContact CB-CD1 4.43Å; I547-L598 HydrophobicContact CD1-CD1 4.45Å; I547-L598 HydrophobicContact CG2-CB 3.99Å; I547-L598 HydrophobicContact CG2-CD1 4.3Å
548	E	96.1	Very high	96.2	Very high	16 Å²	16	21.3 Å²	21.3	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175.8	-173.1	-161.9	140.3	0	0	111.6	L544 N545 S550 Q551 K552 S662 N665	L544-E548 PolarHBondContact O-N 3.32Å; N545-E548 WeakPolarHBondContact O-CB 3.3Å; N545-E548 PolarHBondContact O-N 2.87Å; E548-S550 VanDerWaalsContact C-N 3.28Å; E548-S550 PolarHBondContact O-N 2.91Å; E548-Q551 WeakPolarHBondContact O-CB 3.14Å; E548-Q551 PolarHBondContact O-N 2.99Å; E548-Q551 VanDerWaalsContact O-N 3.16Å; E548-K552 PolarHBondContact O-N 3.01Å; E548-K552 IonicContact OE1-NZ 2.68Å; E548-K552 PolarHBondContact OE1-NZ 3.44Å; E548-S662 WeakPolarHBondContact OE2-CB 3.32Å; E548-S662 PolarHBondContact OE2-OG 2.91Å; E548-N665 PolarHBondContact OE2-ND2 3.24Å
549	A	96	Very high	96.5	Very high	18 Å²	18	24.5 Å²	24.5	15%	0.149	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-39.4	174.4	0	0	0	0	0	111.6	V435 I439 N545 Q551 K552 N553	V435-A549 HydrophobicContact CG1-CB 3.79Å; V435-A549 HydrophobicContact CG2-CB 4.15Å; I439-A549 HydrophobicContact CG2-CB 4.23Å; N545-A549 WeakPolarHBondContact O-CB 3.21Å; N545-A549 PolarHBondContact O-N 3.36Å; A549-Q551 PolarHBondContact O-N 3.29Å; A549-K552 PolarHBondContact O-N 3.04Å; A549-N553 WeakPolarHBondContact O-CB 3.49Å; A549-N553 PolarHBondContact O-N 3.45Å
550	S	97.3	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-40.9	174.7	-59.4	0	0	0	0	112.2	I439 F443 S546 I547 E548 N553 L554	I439-S550 WeakPolarHBondContact CD1-OG 3.44Å; F443-S550 WeakPolarHBondContact CZ-O 3.41Å; S546-S550 WeakPolarHBondContact O-CB 3.31Å; S546-S550 PolarHBondContact O-N 3.38Å; S546-S550 PolarHBondContact O-OG 2.89Å; I547-S550 WeakPolarHBondContact O-CB 3.44Å; I547-S550 PolarHBondContact O-N 3.13Å; E548-S550 VanDerWaalsContact C-N 3.28Å; E548-S550 PolarHBondContact O-N 2.91Å; S550-N553 PolarHBondContact O-N 3.46Å; S550-L554 WeakPolarHBondContact O-CB 3.39Å; S550-L554 PolarHBondContact O-N 2.89Å
551	Q	97.6	Very high	96.8	Very high	41 Å²	41	24.6 Å²	24.6	19%	0.192	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-41.3	176.5	-70.6	174.4	-32.6	0	0	111.4	I547 E548 A549 L555 L594	I547-Q551 WeakPolarHBondContact O-CG 3.4Å; I547-Q551 PolarHBondContact O-N 2.78Å; E548-Q551 WeakPolarHBondContact O-CB 3.14Å; E548-Q551 PolarHBondContact O-N 2.99Å; E548-Q551 VanDerWaalsContact O-N 3.16Å; A549-Q551 PolarHBondContact O-N 3.29Å; Q551-L555 PolarHBondContact O-N 2.91Å; Q551-L555 VanDerWaalsContact O-N 3.07Å; Q551-L594 HydrophobicContact CG-CB 4.07Å; Q551-L594 HydrophobicContact CG-CD1 3.95Å
552	K	96.6	Very high	96.7	Very high	113 Å²	113	27.5 Å²	27.5	49%	0.491	14%	0.144	S	C	.	.	H	α-helix	trans	-66.1	-45.6	176.3	-70.5	173.1	178.2	169	0	112	E548 A549 L555 S556	E548-K552 PolarHBondContact O-N 3.01Å; E548-K552 IonicContact OE1-NZ 2.68Å; E548-K552 PolarHBondContact OE1-NZ 3.44Å; A549-K552 PolarHBondContact O-N 3.04Å; K552-L555 PolarHBondContact O-N 3.28Å; K552-S556 PolarHBondContact O-N 2.92Å
553	N	97.1	Very high	96.7	Very high	37 Å²	37	30 Å²	30	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-36.4	178.5	-76	-4.3	0	0	0	112.2	D440 F443 A549 S550 S556 L557	D440-N553 PolarHBondContact OD1-ND2 3.3Å; F443-N553 HydrophobicContact CB-CB 4.1Å; F443-N553 HydrophobicContact CD1-CB 4.17Å; F443-N553 HydrophobicContact CD2-CB 3.43Å; F443-N553 VanDerWaalsContact CD2-CB 3.43Å; F443-N553 HydrophobicContact CE2-CB 3.84Å; F443-N553 HydrophobicContact CG-CB 3.62Å; F443-N553 HydrophobicContact CZ-CB 4.36Å; A549-N553 WeakPolarHBondContact O-CB 3.49Å; A549-N553 PolarHBondContact O-N 3.45Å; S550-N553 PolarHBondContact O-N 3.46Å; N553-S556 WeakPolarHBondContact O-CB 3.47Å; N553-S556 PolarHBondContact O-N 3.45Å; N553-L557 WeakPolarHBondContact O-CB 3.44Å; N553-L557 PolarHBondContact O-N 3.45Å
554	L	98.2	Very high	96.5	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-46.8	171.3	176.6	66.2	0	0	0	111.4	F443 S550 S556 L557 V558 L586 I590	F443-L554 VanDerWaalsContact CE1-CA 3.44Å; F443-L554 HydrophobicContact CE1-CB 3.75Å; F443-L554 HydrophobicContact CE1-CD1 4.11Å; F443-L554 HydrophobicContact CZ-CB 3.91Å; S550-L554 WeakPolarHBondContact O-CB 3.39Å; S550-L554 PolarHBondContact O-N 2.89Å; L554-S556 VanDerWaalsContact C-N 3.33Å; L554-S556 PolarHBondContact O-N 2.96Å; L554-L557 PolarHBondContact O-N 2.7Å; L554-V558 HydrophobicContact CD1-CG2 4.26Å; L554-V558 VanDerWaalsContact O-CG2 3.31Å; L554-V558 WeakPolarHBondContact O-CG2 3.46Å; L554-V558 PolarHBondContact O-N 3.43Å; L554-L586 HydrophobicContact CD1-CD2 3.77Å; L554-I590 HydrophobicContact CD1-CB 4.26Å; L554-I590 HydrophobicContact CD1-CD1 3.86Å; L554-I590 HydrophobicContact CD1-CG2 4.33Å; L554-I590 HydrophobicContact CD2-CB 3.76Å; L554-I590 HydrophobicContact CD2-CG2 3.76Å
555	L	97.5	Very high	96.2	Very high	76 Å²	76	33.4 Å²	33.4	40%	0.398	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-42.7	177.5	-176.3	63.5	0	0	0	111.4	Q551 K552 V558 N559	Q551-L555 PolarHBondContact O-N 2.91Å; Q551-L555 VanDerWaalsContact O-N 3.07Å; K552-L555 PolarHBondContact O-N 3.28Å; L555-V558 PolarHBondContact O-N 3.44Å; L555-N559 WeakPolarHBondContact O-CB 3.46Å; L555-N559 PolarHBondContact O-N 2.69Å; L555-N559 PolarHBondContact O-ND2 3.26Å; L555-N559 PolarHBondContact O-OD1 3.25Å
556	S	97.6	Very high	95.7	Very high	77 Å²	77	37.1 Å²	37.1	54%	0.538	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-44.2	175.2	-175.2	0	0	0	0	112.4	K552 N553 L554 H560	K552-S556 PolarHBondContact O-N 2.92Å; N553-S556 WeakPolarHBondContact O-CB 3.47Å; N553-S556 PolarHBondContact O-N 3.45Å; L554-S556 VanDerWaalsContact C-N 3.33Å; L554-S556 PolarHBondContact O-N 2.96Å; S556-H560 WeakPolarHBondContact O-CB 3.47Å; S556-H560 PolarHBondContact O-N 3.5Å; S556-H560 VanDerWaalsContact O-N 3.1Å
557	L	97.6	Very high	95.4	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-50.5	175.5	173.4	62.5	0	0	0	111.2	F443 T446 K447 L450 N553 L554 H560 L561	F443-L557 HydrophobicContact CD1-CB 4.27Å; F443-L557 HydrophobicContact CD1-CD2 3.93Å; F443-L557 HydrophobicContact CE1-CD2 4.34Å; T446-L557 HydrophobicContact CG2-CD2 3.91Å; K447-L557 HydrophobicContact CB-CD1 3.7Å; K447-L557 HydrophobicContact CG-CD1 4.1Å; L450-L557 HydrophobicContact CD1-CD1 4.39Å; L450-L557 HydrophobicContact CD1-CD2 4.38Å; N553-L557 WeakPolarHBondContact O-CB 3.44Å; N553-L557 PolarHBondContact O-N 3.45Å; L554-L557 PolarHBondContact O-N 2.7Å; L557-H560 PolarHBondContact O-N 3.17Å; L557-L561 HydrophobicContact CD1-CD1 4.01Å; L557-L561 HydrophobicContact CD1-CG 4.19Å; L557-L561 HydrophobicContact CG-CD1 4.04Å; L557-L561 WeakPolarHBondContact O-CG 3.25Å; L557-L561 PolarHBondContact O-N 3.14Å
558	V	97.5	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-49.4	-178.5	169.2	0	0	0	0	111.1	L554 L555 H560 L561 E562 I583 L586 K587	L554-V558 HydrophobicContact CD1-CG2 4.26Å; L554-V558 VanDerWaalsContact O-CG2 3.31Å; L554-V558 WeakPolarHBondContact O-CG2 3.46Å; L554-V558 PolarHBondContact O-N 3.43Å; L555-V558 PolarHBondContact O-N 3.44Å; V558-H560 PolarHBondContact O-N 2.86Å; V558-L561 PolarHBondContact O-N 3.29Å; V558-L561 VanDerWaalsContact O-N 3.09Å; V558-E562 HydrophobicContact CG1-CG 4.26Å; V558-E562 WeakPolarHBondContact CG1-OE1 3.3Å; V558-E562 WeakPolarHBondContact O-CG 3.43Å; V558-E562 PolarHBondContact O-N 2.95Å; V558-I583 HydrophobicContact CB-CG2 4.48Å; V558-I583 HydrophobicContact CG1-CG2 3.62Å; V558-I583 HydrophobicContact CG2-CG2 4.49Å; V558-L586 HydrophobicContact CG2-CD2 3.8Å; V558-K587 HydrophobicContact CG1-CB 4.44Å; V558-K587 HydrophobicContact CG1-CD 4.13Å; V558-K587 HydrophobicContact CG2-CB 3.88Å; V558-K587 HydrophobicContact CG2-CG 4.24Å
559	N	97	Very high	94.1	Very high	82 Å²	82	48.1 Å²	48.1	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-58.1	-38	179	-67.9	-12.6	0	0	0	111.8	L555 S563	L555-N559 WeakPolarHBondContact O-CB 3.46Å; L555-N559 PolarHBondContact O-N 2.69Å; L555-N559 PolarHBondContact O-ND2 3.26Å; L555-N559 PolarHBondContact O-OD1 3.25Å; N559-S563 WeakPolarHBondContact O-CB 3.43Å; N559-S563 PolarHBondContact O-N 3.43Å
560	H	96.1	Very high	93.1	Very high	42 Å²	42	54.7 Å²	54.7	19%	0.194	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-45.5	176.4	179.8	67.4	0	0	0	112	K447 I451 S556 L557 V558 E562 S563 E564	K447-H560 WeakPolarHBondContact CE-CD2 3.37Å; K447-H560 VanDerWaalsContact CE-NE2 3.3Å; K447-H560 WeakPolarHBondContact CE-NE2 3.38Å; I451-H560 VanDerWaalsContact CD1-NE2 3.34Å; I451-H560 WeakPolarHBondContact CD1-NE2 3.35Å; S556-H560 WeakPolarHBondContact O-CB 3.47Å; S556-H560 PolarHBondContact O-N 3.5Å; S556-H560 VanDerWaalsContact O-N 3.1Å; L557-H560 PolarHBondContact O-N 3.17Å; V558-H560 PolarHBondContact O-N 2.86Å; H560-E562 PolarHBondContact O-N 3.44Å; H560-S563 PolarHBondContact O-N 2.94Å; H560-S563 PolarHBondContact O-OG 3.32Å; H560-E564 IonicContact CE1-OE1 3.61Å; H560-E564 WeakPolarHBondContact O-CG 3.46Å; H560-E564 PolarHBondContact O-N 3.29Å
561	L	95.4	Very high	92.1	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-43.7	177.9	-65.1	169.6	0	0	0	111.8	L450 L454 L557 V558 S563 E564 L565 I583	L450-L561 HydrophobicContact CB-CD2 3.77Å; L450-L561 HydrophobicContact CD1-CD1 3.58Å; L450-L561 HydrophobicContact CD1-CD2 4.31Å; L454-L561 HydrophobicContact CD1-CD2 4.48Å; L557-L561 HydrophobicContact CD1-CD1 4.01Å; L557-L561 HydrophobicContact CD1-CG 4.19Å; L557-L561 HydrophobicContact CG-CD1 4.04Å; L557-L561 WeakPolarHBondContact O-CG 3.25Å; L557-L561 PolarHBondContact O-N 3.14Å; V558-L561 PolarHBondContact O-N 3.29Å; V558-L561 VanDerWaalsContact O-N 3.09Å; L561-S563 VanDerWaalsContact C-N 3.28Å; L561-S563 PolarHBondContact O-N 2.85Å; L561-E564 PolarHBondContact O-N 2.9Å; L561-L565 WeakPolarHBondContact O-CB 3.47Å; L561-L565 WeakPolarHBondContact O-CG 3.23Å; L561-L565 PolarHBondContact O-N 3.46Å; L561-I583 HydrophobicContact CB-CD1 3.72Å
562	E	94.5	Very high	91.3	Very high	61 Å²	61	64.2 Å²	64.2	29%	0.285	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-41.3	174.7	-70.9	175.7	176.6	0	0	111.1	V558 H560 N566 I583	V558-E562 HydrophobicContact CG1-CG 4.26Å; V558-E562 WeakPolarHBondContact CG1-OE1 3.3Å; V558-E562 WeakPolarHBondContact O-CG 3.43Å; V558-E562 PolarHBondContact O-N 2.95Å; H560-E562 PolarHBondContact O-N 3.44Å; E562-N566 VanDerWaalsContact O-CB 3.3Å; E562-N566 WeakPolarHBondContact O-CB 3.18Å; E562-N566 VanDerWaalsContact O-CG 3.22Å; E562-N566 PolarHBondContact O-N 3.19Å; E562-N566 PolarHBondContact O-ND2 3.45Å; E562-I583 HydrophobicContact CG-CD1 4.44Å; E562-I583 HydrophobicContact CG-CG2 4.04Å
563	S	93.3	Very high	90.6	Very high	54 Å²	54	66.2 Å²	66.2	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-44.4	177.8	73.8	0	0	0	0	112.9	N559 H560 L561 L567	N559-S563 WeakPolarHBondContact O-CB 3.43Å; N559-S563 PolarHBondContact O-N 3.43Å; H560-S563 PolarHBondContact O-N 2.94Å; H560-S563 PolarHBondContact O-OG 3.32Å; L561-S563 VanDerWaalsContact C-N 3.28Å; L561-S563 PolarHBondContact O-N 2.85Å; S563-L567 WeakPolarHBondContact O-CG 3.28Å; S563-L567 PolarHBondContact O-N 3.44Å
564	E	92.4	Very high	90	Very high	65 Å²	65	71 Å²	71	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-67.8	-41.3	179.2	-68.3	-65.3	145.8	0	0	111.6	L454 H560 L561 L567 L568	L454-E564 HydrophobicContact CD2-CB 3.58Å; L454-E564 HydrophobicContact CD2-CG 4.49Å; H560-E564 IonicContact CE1-OE1 3.61Å; H560-E564 WeakPolarHBondContact O-CG 3.46Å; H560-E564 PolarHBondContact O-N 3.29Å; L561-E564 PolarHBondContact O-N 2.9Å; E564-L567 WeakPolarHBondContact O-CB 3.43Å; E564-L567 PolarHBondContact O-N 3.19Å; E564-L568 WeakPolarHBondContact O-CG 3.38Å; E564-L568 PolarHBondContact O-N 2.95Å; E564-L568 VanDerWaalsContact O-N 3.17Å
565	L	90.4	Very high	89.5	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-38.5	178.8	-71.6	-171.6	0	0	0	112.9	L454 L561 L567 L568 Y569 L579 I583	L454-L565 HydrophobicContact CD1-CD2 4.24Å; L454-L565 HydrophobicContact CD2-CD2 3.77Å; L454-L565 HydrophobicContact CD2-CG 4.28Å; L454-L565 HydrophobicContact CG-CD2 3.76Å; L561-L565 WeakPolarHBondContact O-CB 3.47Å; L561-L565 WeakPolarHBondContact O-CG 3.23Å; L561-L565 PolarHBondContact O-N 3.46Å; L565-L567 PolarHBondContact O-N 3.07Å; L565-L568 PolarHBondContact O-N 3.34Å; L565-L568 VanDerWaalsContact O-N 3.14Å; L565-Y569 HydrophobicContact CD2-CD2 4.06Å; L565-Y569 HydrophobicContact CD2-CE2 4.04Å; L565-Y569 PolarHBondContact O-N 2.81Å; L565-L579 HydrophobicContact CD1-CB 3.73Å; L565-L579 HydrophobicContact CD1-CD1 4.19Å; L565-L579 HydrophobicContact CD1-CD2 4.35Å; L565-L579 HydrophobicContact CD1-CG 4.32Å; L565-L579 HydrophobicContact CD2-CD1 4.08Å; L565-I583 HydrophobicContact CD1-CD1 3.31Å; L565-I583 HydrophobicContact CD1-CG1 4.32Å; L565-I583 HydrophobicContact CG-CD1 4.31Å
566	N	88.1	Confident	89.1	Confident	80 Å²	80	70.9 Å²	70.9	43%	0.428	37%	0.369	S	S	.	.	H	α-helix	trans	-59	-36.6	173.9	-80.6	-43.3	0	0	0	111.6	E562 Q570	E562-N566 VanDerWaalsContact O-CB 3.3Å; E562-N566 WeakPolarHBondContact O-CB 3.18Å; E562-N566 VanDerWaalsContact O-CG 3.22Å; E562-N566 PolarHBondContact O-N 3.19Å; E562-N566 PolarHBondContact O-ND2 3.45Å; N566-Q570 WeakPolarHBondContact O-CB 3.48Å; N566-Q570 PolarHBondContact O-N 2.91Å
567	L	88.9	Confident	88.7	Confident	134 Å²	134	73 Å²	73	70%	0.702	37%	0.371	S	S	*	.	H	α-helix	trans	-69	-37.5	175.5	-67.2	171.4	0	0	0	112.7	S563 E564 L565	S563-L567 WeakPolarHBondContact O-CG 3.28Å; S563-L567 PolarHBondContact O-N 3.44Å; E564-L567 WeakPolarHBondContact O-CB 3.43Å; E564-L567 PolarHBondContact O-N 3.19Å; L565-L567 PolarHBondContact O-N 3.07Å
568	L	84.4	Confident	88.5	Confident	103 Å²	103	77 Å²	77	54%	0.539	39%	0.388	S	S	.	.	H	α-helix	trans	-82.7	-34.6	-175.4	-67.1	174.9	0	0	0	113.7	L454 E564 L565	L454-L568 HydrophobicContact CB-CD1 4.33Å; L454-L568 HydrophobicContact CD2-CD1 4.26Å; L454-L568 HydrophobicContact CG-CD1 4.45Å; E564-L568 WeakPolarHBondContact O-CG 3.38Å; E564-L568 PolarHBondContact O-N 2.95Å; E564-L568 VanDerWaalsContact O-N 3.17Å; L565-L568 PolarHBondContact O-N 3.34Å; L565-L568 VanDerWaalsContact O-N 3.14Å
569	Y	83.6	Confident	88.3	Confident	10 Å²	10	77.2 Å²	77.2	4%	0.039	39%	0.389	C	S	.	.	H	α-helix	trans	-120.9	11.3	-167	-66.7	-81.9	0	0	0	115.2	G457 V459 I462 L565 N571 Q572 N575 L579	G457-Y569 PolarHBondContact O-OH 3.43Å; V459-Y569 HydrophobicContact CG2-CE1 3.71Å; I462-Y569 HydrophobicContact CD1-CE2 4.21Å; L565-Y569 HydrophobicContact CD2-CD2 4.06Å; L565-Y569 HydrophobicContact CD2-CE2 4.04Å; L565-Y569 PolarHBondContact O-N 2.81Å; Y569-N571 PolarHBondContact O-N 2.76Å; Y569-Q572 PolarHBondContact O-N 2.91Å; Y569-N575 HydrophobicContact CD1-CB 4.15Å; Y569-L579 HydrophobicContact CD1-CD1 4.42Å; Y569-L579 HydrophobicContact CD2-CD1 3.61Å; Y569-L579 HydrophobicContact CE2-CD1 3.73Å; Y569-L579 HydrophobicContact CG-CD1 3.98Å
570	Q	74.6	Confident	88.1	Confident	156 Å²	156	76 Å²	76	73%	0.729	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-32.5	-178.8	-156.5	174.7	13	0	0	114.8	N566	N566-Q570 WeakPolarHBondContact O-CB 3.48Å; N566-Q570 PolarHBondContact O-N 2.91Å
571	N	75.7	Confident	88.1	Confident	156 Å²	156	80.7 Å²	80.7	83%	0.834	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	5.1	-175.8	-61.2	-32.8	0	0	0	114.1	Y569	Y569-N571 PolarHBondContact O-N 2.76Å
572	Q	81.2	Confident	88	Confident	86 Å²	86	81 Å²	81	40%	0.402	41%	0.408	S	S	.	.			trans	-125.1	80.1	-175.7	-64.9	-171	-10.6	0	0	111.5	Y569 I574 N575 S576	Y569-Q572 PolarHBondContact O-N 2.91Å; Q572-I574 PolarHBondContact O-N 2.86Å; Q572-N575 HydrophobicContact CB-CB 4.08Å; Q572-N575 PolarHBondContact O-N 3.07Å; Q572-N575 VanDerWaalsContact O-N 3.13Å; Q572-N575 PolarHBondContact OE1-ND2 3.33Å; Q572-S576 WeakPolarHBondContact O-CB 3.34Å; Q572-S576 PolarHBondContact O-N 3.24Å
573	E	81.3	Confident	88.1	Confident	154 Å²	154	78.3 Å²	78.3	72%	0.72	40%	0.396	S	S	*	.	H	α-helix	trans	-50.2	-48.5	-174	-68.3	-177	171.8	0	0	114	N575 S576 Q577	E573-N575 PolarHBondContact O-N 3.2Å; E573-S576 PolarHBondContact O-N 2.81Å; E573-Q577 VanDerWaalsContact O-CG 3.3Å; E573-Q577 WeakPolarHBondContact O-CG 3.48Å; E573-Q577 PolarHBondContact O-N 3.43Å
574	I	85.8	Confident	88.3	Confident	137 Å²	137	79.1 Å²	79.1	70%	0.703	40%	0.399	S	S	*	.	H	α-helix	trans	-63.5	-43.6	-177.1	-59.7	173.4	0	0	0	111.4	Q572 K578	Q572-I574 PolarHBondContact O-N 2.86Å; I574-K578 PolarHBondContact O-N 2.82Å
575	N	87.6	Confident	88.4	Confident	56 Å²	56	81.8 Å²	81.8	30%	0.299	41%	0.411	S	S	.	.	H	α-helix	trans	-72.6	-38.6	-178.9	-71.8	-17.4	0	0	0	111.1	V459 Y569 Q572 E573 K578 L579	V459-N575 HydrophobicContact CG2-CB 3.9Å; Y569-N575 HydrophobicContact CD1-CB 4.15Å; Q572-N575 HydrophobicContact CB-CB 4.08Å; Q572-N575 PolarHBondContact O-N 3.07Å; Q572-N575 VanDerWaalsContact O-N 3.13Å; Q572-N575 PolarHBondContact OE1-ND2 3.33Å; E573-N575 PolarHBondContact O-N 3.2Å; N575-K578 PolarHBondContact O-N 2.97Å; N575-L579 WeakPolarHBondContact O-CD1 3.49Å; N575-L579 VanDerWaalsContact O-CG 3.3Å; N575-L579 WeakPolarHBondContact O-CG 3.37Å; N575-L579 PolarHBondContact O-N 3.22Å; N575-L579 VanDerWaalsContact O-N 3.1Å
576	S	87.8	Confident	88.7	Confident	22 Å²	22	81.6 Å²	81.6	15%	0.154	41%	0.41	C	S	.	.	H	α-helix	trans	-57.9	-51.8	174	-166.7	0	0	0	0	110.8	Q572 E573 K578 L579 D580	Q572-S576 WeakPolarHBondContact O-CB 3.34Å; Q572-S576 PolarHBondContact O-N 3.24Å; E573-S576 PolarHBondContact O-N 2.81Å; S576-K578 VanDerWaalsContact C-N 3.32Å; S576-K578 PolarHBondContact O-N 2.78Å; S576-L579 PolarHBondContact O-N 3.16Å; S576-L579 VanDerWaalsContact O-N 3.1Å; S576-D580 WeakPolarHBondContact O-CB 3.32Å; S576-D580 PolarHBondContact O-N 3.03Å; S576-D580 PolarHBondContact OG-OD2 3.15Å
577	Q	90.6	Very high	89.2	Confident	121 Å²	121	81.5 Å²	81.5	57%	0.565	41%	0.406	S	S	*	.	H	α-helix	trans	-57.8	-43.5	179.8	-73.7	173.9	4.4	0	0	112.6	E573 L579 D580 M581	E573-Q577 VanDerWaalsContact O-CG 3.3Å; E573-Q577 WeakPolarHBondContact O-CG 3.48Å; E573-Q577 PolarHBondContact O-N 3.43Å; Q577-L579 VanDerWaalsContact C-N 3.33Å; Q577-L579 PolarHBondContact O-N 3.25Å; Q577-D580 PolarHBondContact O-N 3.38Å; Q577-M581 WeakPolarHBondContact O-CB 3.34Å; Q577-M581 VanDerWaalsContact O-CG 3.28Å; Q577-M581 WeakPolarHBondContact O-CG 3.39Å; Q577-M581 PolarHBondContact O-N 3Å
578	K	92.5	Very high	89.6	Confident	92 Å²	92	78.4 Å²	78.4	40%	0.4	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-42.6	177.9	-178	175.9	177.8	175.4	0	111.8	V459 D460 I574 N575 S576 C582	V459-K578 HydrophobicContact CG1-CD 3.96Å; V459-K578 HydrophobicContact CG1-CG 4.45Å; D460-K578 IonicContact OD1-NZ 3.51Å; D460-K578 PolarHBondContact OD1-NZ 2.89Å; I574-K578 PolarHBondContact O-N 2.82Å; N575-K578 PolarHBondContact O-N 2.97Å; S576-K578 VanDerWaalsContact C-N 3.32Å; S576-K578 PolarHBondContact O-N 2.78Å; K578-C582 WeakPolarHBondContact O-CB 3.46Å; K578-C582 PolarHBondContact O-N 2.83Å
579	L	93.4	Very high	90.3	Very high	4 Å²	4	75.4 Å²	75.4	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-70.7	-41.5	179.3	-68.3	164.6	0	0	0	111.9	V459 I462 L565 Y569 N575 S576 Q577 M581 C582 I583	V459-L579 HydrophobicContact CG1-CD1 4.43Å; V459-L579 HydrophobicContact CG1-CD2 4.02Å; V459-L579 HydrophobicContact CG1-CG 3.99Å; V459-L579 HydrophobicContact CG2-CD1 4.48Å; I462-L579 HydrophobicContact CB-CD2 3.94Å; I462-L579 HydrophobicContact CD1-CD2 4.47Å; I462-L579 HydrophobicContact CG2-CD2 3.63Å; L565-L579 HydrophobicContact CD1-CB 3.73Å; L565-L579 HydrophobicContact CD1-CD1 4.19Å; L565-L579 HydrophobicContact CD1-CD2 4.35Å; L565-L579 HydrophobicContact CD1-CG 4.32Å; L565-L579 HydrophobicContact CD2-CD1 4.08Å; Y569-L579 HydrophobicContact CD1-CD1 4.42Å; Y569-L579 HydrophobicContact CD2-CD1 3.61Å; Y569-L579 HydrophobicContact CE2-CD1 3.73Å; Y569-L579 HydrophobicContact CG-CD1 3.98Å; N575-L579 WeakPolarHBondContact O-CD1 3.49Å; N575-L579 VanDerWaalsContact O-CG 3.3Å; N575-L579 WeakPolarHBondContact O-CG 3.37Å; N575-L579 PolarHBondContact O-N 3.22Å; N575-L579 VanDerWaalsContact O-N 3.1Å; S576-L579 PolarHBondContact O-N 3.16Å; S576-L579 VanDerWaalsContact O-N 3.1Å; Q577-L579 VanDerWaalsContact C-N 3.33Å; Q577-L579 PolarHBondContact O-N 3.25Å; L579-M581 VanDerWaalsContact C-N 3.33Å; L579-M581 PolarHBondContact O-N 3.35Å; L579-C582 WeakPolarHBondContact O-CB 3.41Å; L579-C582 PolarHBondContact O-N 3.44Å; L579-C582 VanDerWaalsContact O-N 3.13Å; L579-I583 PolarHBondContact O-N 3.27Å
580	D	93.4	Very high	90.9	Very high	55 Å²	55	75 Å²	75	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-43.4	177.1	-67.1	-28.9	0	0	0	111.1	S576 Q577 C582 I583 T584	S576-D580 WeakPolarHBondContact O-CB 3.32Å; S576-D580 PolarHBondContact O-N 3.03Å; S576-D580 PolarHBondContact OG-OD2 3.15Å; Q577-D580 PolarHBondContact O-N 3.38Å; D580-C582 VanDerWaalsContact C-N 3.35Å; D580-C582 PolarHBondContact O-N 3.47Å; D580-I583 PolarHBondContact O-N 3.25Å; D580-T584 VanDerWaalsContact O-CB 3.29Å; D580-T584 WeakPolarHBondContact O-CB 3.24Å; D580-T584 PolarHBondContact O-N 3.07Å; D580-T584 PolarHBondContact O-OG1 2.87Å
581	M	94.4	Very high	92.1	Very high	141 Å²	141	69.5 Å²	69.5	70%	0.695	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-44.4	173.9	-73.7	-179.7	66.6	0	0	111.9	Q577 L579 T584 E585	Q577-M581 WeakPolarHBondContact O-CB 3.34Å; Q577-M581 VanDerWaalsContact O-CG 3.28Å; Q577-M581 WeakPolarHBondContact O-CG 3.39Å; Q577-M581 PolarHBondContact O-N 3Å; L579-M581 VanDerWaalsContact C-N 3.33Å; L579-M581 PolarHBondContact O-N 3.35Å; M581-T584 PolarHBondContact O-N 3.27Å; M581-E585 WeakPolarHBondContact O-CB 3.47Å; M581-E585 PolarHBondContact O-N 3.29Å
582	C	95	Very high	93.1	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-40.7	-178.5	-170.8	0	0	0	0	112.4	V466 N467 K578 L579 D580 E585 L586	V466-C582 WeakPolarHBondContact CG1-SG 3.38Å; N467-C582 PolarHBondContact OD1-SG 3.47Å; K578-C582 WeakPolarHBondContact O-CB 3.46Å; K578-C582 PolarHBondContact O-N 2.83Å; L579-C582 WeakPolarHBondContact O-CB 3.41Å; L579-C582 PolarHBondContact O-N 3.44Å; L579-C582 VanDerWaalsContact O-N 3.13Å; D580-C582 VanDerWaalsContact C-N 3.35Å; D580-C582 PolarHBondContact O-N 3.47Å; C582-E585 PolarHBondContact O-N 3.2Å; C582-L586 PolarHBondContact O-N 3.45Å; C582-L586 VanDerWaalsContact O-N 3.11Å
583	I	96.6	Very high	93.9	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-41.1	174	-71.1	-177.1	0	0	0	111.4	V558 L561 E562 L565 L579 D580 E585 L586 K587	V558-I583 HydrophobicContact CB-CG2 4.48Å; V558-I583 HydrophobicContact CG1-CG2 3.62Å; V558-I583 HydrophobicContact CG2-CG2 4.49Å; L561-I583 HydrophobicContact CB-CD1 3.72Å; E562-I583 HydrophobicContact CG-CD1 4.44Å; E562-I583 HydrophobicContact CG-CG2 4.04Å; L565-I583 HydrophobicContact CD1-CD1 3.31Å; L565-I583 HydrophobicContact CD1-CG1 4.32Å; L565-I583 HydrophobicContact CG-CD1 4.31Å; L579-I583 PolarHBondContact O-N 3.27Å; D580-I583 PolarHBondContact O-N 3.25Å; I583-E585 VanDerWaalsContact C-N 3.29Å; I583-E585 PolarHBondContact O-N 3.19Å; I583-L586 WeakPolarHBondContact O-CB 3.43Å; I583-L586 PolarHBondContact O-N 3.39Å; I583-K587 PolarHBondContact O-N 3.4Å
584	T	96	Very high	94.7	Very high	72 Å²	72	58.1 Å²	58.1	44%	0.442	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-42.5	176.5	-60	0	0	0	0	110.7	D580 M581 K587 V588	D580-T584 VanDerWaalsContact O-CB 3.29Å; D580-T584 WeakPolarHBondContact O-CB 3.24Å; D580-T584 PolarHBondContact O-N 3.07Å; D580-T584 PolarHBondContact O-OG1 2.87Å; M581-T584 PolarHBondContact O-N 3.27Å; T584-K587 PolarHBondContact O-N 3.42Å; T584-V588 HydrophobicContact CG2-CG2 4.19Å; T584-V588 WeakPolarHBondContact O-CB 3.27Å; T584-V588 WeakPolarHBondContact O-CG2 3.21Å; T584-V588 PolarHBondContact O-N 3.05Å
585	E	96	Very high	95.3	Very high	120 Å²	120	54.7 Å²	54.7	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-61.3	-44	175.3	-173.4	175.1	-179.1	0	0	111.9	M581 C582 I583 K587 V588 S589	M581-E585 WeakPolarHBondContact O-CB 3.47Å; M581-E585 PolarHBondContact O-N 3.29Å; C582-E585 PolarHBondContact O-N 3.2Å; I583-E585 VanDerWaalsContact C-N 3.29Å; I583-E585 PolarHBondContact O-N 3.19Å; E585-K587 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 2.94Å; E585-V588 PolarHBondContact O-N 3.35Å; E585-S589 WeakPolarHBondContact O-CB 3.38Å; E585-S589 PolarHBondContact O-N 3.19Å
586	L	96.8	Very high	95.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-46.5	173.9	175.1	148.3	0	0	0	111.6	V466 C470 L554 V558 C582 I583 I590	V466-L586 HydrophobicContact CG1-CB 3.88Å; V466-L586 HydrophobicContact CG1-CD1 3.77Å; V466-L586 HydrophobicContact CG1-CG 4.46Å; C470-L586 HydrophobicContact CB-CB 4.4Å; C470-L586 HydrophobicContact CB-CD1 4.26Å; C470-L586 HydrophobicContact CB-CG 4.26Å; L554-L586 HydrophobicContact CD1-CD2 3.77Å; V558-L586 HydrophobicContact CG2-CD2 3.8Å; C582-L586 PolarHBondContact O-N 3.45Å; C582-L586 VanDerWaalsContact O-N 3.11Å; I583-L586 WeakPolarHBondContact O-CB 3.43Å; I583-L586 PolarHBondContact O-N 3.39Å; L586-I590 HydrophobicContact CD2-CD1 4.21Å; L586-I590 HydrophobicContact CG-CD1 3.98Å; L586-I590 WeakPolarHBondContact O-CG1 3.18Å; L586-I590 PolarHBondContact O-N 3.34Å
587	K	97.9	Very high	96.2	Very high	78 Å²	78	55 Å²	55	34%	0.339	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-54.2	-179.7	-178.2	-177.9	177.6	174.1	0	111.2	V558 I583 T584 E585 S591	V558-K587 HydrophobicContact CG1-CB 4.44Å; V558-K587 HydrophobicContact CG1-CD 4.13Å; V558-K587 HydrophobicContact CG2-CB 3.88Å; V558-K587 HydrophobicContact CG2-CG 4.24Å; I583-K587 PolarHBondContact O-N 3.4Å; T584-K587 PolarHBondContact O-N 3.42Å; E585-K587 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 2.94Å; K587-S591 WeakPolarHBondContact O-CB 3.33Å; K587-S591 PolarHBondContact O-N 3.22Å
588	V	97.9	Very high	96.6	Very high	70 Å²	70	49.6 Å²	49.6	42%	0.424	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-48.4	-174.9	172.7	0	0	0	0	110.3	T584 E585 I590 S591 D592	T584-V588 HydrophobicContact CG2-CG2 4.19Å; T584-V588 WeakPolarHBondContact O-CB 3.27Å; T584-V588 WeakPolarHBondContact O-CG2 3.21Å; T584-V588 PolarHBondContact O-N 3.05Å; E585-V588 PolarHBondContact O-N 3.35Å; V588-I590 PolarHBondContact O-N 3.04Å; V588-S591 PolarHBondContact O-N 3.49Å; V588-D592 WeakPolarHBondContact CG1-OD2 3.43Å; V588-D592 WeakPolarHBondContact O-CB 3.37Å; V588-D592 VanDerWaalsContact O-CG 3.25Å; V588-D592 PolarHBondContact O-N 3.43Å
589	S	97.5	Very high	96.8	Very high	40 Å²	40	48.2 Å²	48.2	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-44	-175.4	-166.8	0	0	0	0	113	I474 E585 Q593	I474-S589 WeakPolarHBondContact CD1-OG 2.88Å; E585-S589 WeakPolarHBondContact O-CB 3.38Å; E585-S589 PolarHBondContact O-N 3.19Å; S589-Q593 WeakPolarHBondContact O-CG 3.27Å; S589-Q593 PolarHBondContact O-N 2.86Å
590	I	97.9	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.1	-43.2	178.3	-59.1	170.8	0	0	0	110.6	L473 I474 V478 L554 L586 V588 D592 Q593 L594	L473-I590 HydrophobicContact CB-CD1 4.12Å; L473-I590 HydrophobicContact CD1-CD1 3.69Å; I474-I590 HydrophobicContact CD1-CG1 4.28Å; I474-I590 HydrophobicContact CG1-CG1 4.09Å; V478-I590 HydrophobicContact CG2-CG2 4.49Å; L554-I590 HydrophobicContact CD1-CB 4.26Å; L554-I590 HydrophobicContact CD1-CD1 3.86Å; L554-I590 HydrophobicContact CD1-CG2 4.33Å; L554-I590 HydrophobicContact CD2-CB 3.76Å; L554-I590 HydrophobicContact CD2-CG2 3.76Å; L586-I590 HydrophobicContact CD2-CD1 4.21Å; L586-I590 HydrophobicContact CG-CD1 3.98Å; L586-I590 WeakPolarHBondContact O-CG1 3.18Å; L586-I590 PolarHBondContact O-N 3.34Å; V588-I590 PolarHBondContact O-N 3.04Å; I590-D592 PolarHBondContact O-N 2.83Å; I590-Q593 PolarHBondContact O-N 3.43Å; I590-L594 HydrophobicContact CG2-CD1 3.8Å; I590-L594 HydrophobicContact CG2-CG 4.22Å; I590-L594 WeakPolarHBondContact O-CB 3.5Å; I590-L594 WeakPolarHBondContact O-CG 3.45Å; I590-L594 PolarHBondContact O-N 2.95Å
591	S	98	Very high	97.1	Very high	41 Å²	41	48.2 Å²	48.2	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-44.7	-179.2	-174.8	0	0	0	0	111.9	K587 V588 L594 Q595	K587-S591 WeakPolarHBondContact O-CB 3.33Å; K587-S591 PolarHBondContact O-N 3.22Å; V588-S591 PolarHBondContact O-N 3.49Å; S591-L594 PolarHBondContact O-N 3.38Å; S591-Q595 VanDerWaalsContact O-CB 3.3Å; S591-Q595 WeakPolarHBondContact O-CB 3.5Å; S591-Q595 PolarHBondContact O-N 2.78Å
592	D	98.2	Very high	97.2	Very high	98 Å²	98	41.7 Å²	41.7	52%	0.524	24%	0.236	S	C	.	.	H	α-helix	trans	-65.3	-40.2	-179.5	-72.9	-8.1	0	0	0	111.4	V588 I590 Q595 A596	V588-D592 WeakPolarHBondContact CG1-OD2 3.43Å; V588-D592 WeakPolarHBondContact O-CB 3.37Å; V588-D592 VanDerWaalsContact O-CG 3.25Å; V588-D592 PolarHBondContact O-N 3.43Å; I590-D592 PolarHBondContact O-N 2.83Å; D592-Q595 PolarHBondContact O-N 3.41Å; D592-A596 VanDerWaalsContact O-CB 3.3Å; D592-A596 WeakPolarHBondContact O-CB 3.39Å; D592-A596 PolarHBondContact O-N 2.94Å
593	Q	97.9	Very high	97.2	Very high	60 Å²	60	47.7 Å²	47.7	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-69.8	-40.6	177	-70.1	-169.4	39.5	0	0	112.8	I474 V478 S589 I590 Q595 L597	I474-Q593 VanDerWaalsContact CG2-OE1 3.24Å; V478-Q593 HydrophobicContact CG1-CB 3.98Å; S589-Q593 WeakPolarHBondContact O-CG 3.27Å; S589-Q593 PolarHBondContact O-N 2.86Å; I590-Q593 PolarHBondContact O-N 3.43Å; Q593-Q595 VanDerWaalsContact C-N 3.32Å; Q593-L597 VanDerWaalsContact O-CB 3.28Å; Q593-L597 WeakPolarHBondContact O-CB 3.46Å; Q593-L597 PolarHBondContact O-N 3.37Å
594	L	98.3	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-43	173	-75.6	173.7	0	0	0	111	V478 L482 I547 Q551 I590 S591 L597 L598	V478-L594 HydrophobicContact CG1-CD2 4.34Å; V478-L594 HydrophobicContact CG2-CD2 3.87Å; V478-L594 HydrophobicContact CG2-CG 4.17Å; L482-L594 HydrophobicContact CD1-CD2 4.08Å; I547-L594 HydrophobicContact CG1-CD2 4.44Å; I547-L594 HydrophobicContact CG2-CB 4.06Å; I547-L594 HydrophobicContact CG2-CD2 4.14Å; I547-L594 WeakPolarHBondContact CG2-O 3.14Å; Q551-L594 HydrophobicContact CG-CB 4.07Å; Q551-L594 HydrophobicContact CG-CD1 3.95Å; I590-L594 HydrophobicContact CG2-CD1 3.8Å; I590-L594 HydrophobicContact CG2-CG 4.22Å; I590-L594 WeakPolarHBondContact O-CB 3.5Å; I590-L594 WeakPolarHBondContact O-CG 3.45Å; I590-L594 PolarHBondContact O-N 2.95Å; S591-L594 PolarHBondContact O-N 3.38Å; L594-L597 PolarHBondContact O-N 2.77Å; L594-L598 WeakPolarHBondContact O-CB 3.33Å; L594-L598 PolarHBondContact O-N 3.46Å
595	Q	97.9	Very high	96.9	Very high	64 Å²	64	47.3 Å²	47.3	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-46.5	178.8	-171.5	60.4	43.8	0	0	111.7	S591 D592 Q593 L597 L598 D599	S591-Q595 VanDerWaalsContact O-CB 3.3Å; S591-Q595 WeakPolarHBondContact O-CB 3.5Å; S591-Q595 PolarHBondContact O-N 2.78Å; D592-Q595 PolarHBondContact O-N 3.41Å; Q593-Q595 VanDerWaalsContact C-N 3.32Å; Q595-L597 PolarHBondContact O-N 3.02Å; Q595-L598 WeakPolarHBondContact O-CB 3.32Å; Q595-L598 PolarHBondContact O-N 3.21Å; Q595-L598 VanDerWaalsContact O-N 3.17Å; Q595-D599 PolarHBondContact NE2-OD1 3.09Å; Q595-D599 WeakPolarHBondContact O-CB 3.31Å; Q595-D599 PolarHBondContact O-N 2.92Å
596	A	97.7	Very high	96.9	Very high	59 Å²	59	42.7 Å²	42.7	49%	0.488	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-37.5	175.9	0	0	0	0	0	111.7	D592 S600	D592-A596 VanDerWaalsContact O-CB 3.3Å; D592-A596 WeakPolarHBondContact O-CB 3.39Å; D592-A596 PolarHBondContact O-N 2.94Å; A596-S600 WeakPolarHBondContact O-CB 3.11Å; A596-S600 PolarHBondContact O-N 2.82Å
597	L	97.3	Very high	96.6	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-41.9	176.6	-170.9	66.4	0	0	0	112.1	V478 L482 I486 I547 Q593 L594 Q595 S600 A601	V478-L597 HydrophobicContact CG1-CD2 4.41Å; L482-L597 HydrophobicContact CB-CD2 3.68Å; I486-L597 HydrophobicContact CB-CD1 3.86Å; I486-L597 HydrophobicContact CB-CG 4.39Å; I486-L597 HydrophobicContact CG1-CD1 4.03Å; I486-L597 HydrophobicContact CG1-CD2 4.35Å; I486-L597 HydrophobicContact CG1-CG 4.01Å; I486-L597 HydrophobicContact CG2-CD1 3.97Å; I547-L597 HydrophobicContact CD1-CB 4.41Å; I547-L597 HydrophobicContact CD1-CD2 3.82Å; I547-L597 HydrophobicContact CD1-CG 3.96Å; I547-L597 HydrophobicContact CG1-CD2 4.32Å; Q593-L597 VanDerWaalsContact O-CB 3.28Å; Q593-L597 WeakPolarHBondContact O-CB 3.46Å; Q593-L597 PolarHBondContact O-N 3.37Å; L594-L597 PolarHBondContact O-N 2.77Å; Q595-L597 PolarHBondContact O-N 3.02Å; L597-S600 PolarHBondContact O-N 3.18Å; L597-A601 WeakPolarHBondContact O-CB 3.36Å; L597-A601 PolarHBondContact O-N 3.41Å
598	L	97.6	Very high	96.2	Very high	8 Å²	8	45 Å²	45	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-45.1	174.9	-169.2	61.3	0	0	0	111.3	L544 I547 L594 Q595 S600 A601 F602	L544-L598 HydrophobicContact CB-CD1 4.26Å; L544-L598 HydrophobicContact CG-CD1 4.12Å; I547-L598 HydrophobicContact CB-CD1 4.43Å; I547-L598 HydrophobicContact CD1-CD1 4.45Å; I547-L598 HydrophobicContact CG2-CB 3.99Å; I547-L598 HydrophobicContact CG2-CD1 4.3Å; L594-L598 WeakPolarHBondContact O-CB 3.33Å; L594-L598 PolarHBondContact O-N 3.46Å; Q595-L598 WeakPolarHBondContact O-CB 3.32Å; Q595-L598 PolarHBondContact O-N 3.21Å; Q595-L598 VanDerWaalsContact O-N 3.17Å; L598-S600 PolarHBondContact O-N 2.68Å; L598-A601 WeakPolarHBondContact O-CB 3.45Å; L598-A601 PolarHBondContact O-N 3.35Å; L598-F602 HydrophobicContact CD1-CD2 4.07Å; L598-F602 HydrophobicContact CD1-CE2 3.71Å; L598-F602 HydrophobicContact CG-CD2 4.01Å; L598-F602 HydrophobicContact CG-CE2 3.95Å; L598-F602 VanDerWaalsContact O-CD2 3.32Å; L598-F602 WeakPolarHBondContact O-CD2 3.41Å; L598-F602 PolarHBondContact O-N 2.89Å
599	D	97.3	Very high	95.8	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.342	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-45	178.9	-65.2	-9.3	0	0	0	111	Q595 A601 F602 E603 R668	Q595-D599 PolarHBondContact NE2-OD1 3.09Å; Q595-D599 WeakPolarHBondContact O-CB 3.31Å; Q595-D599 PolarHBondContact O-N 2.92Å; D599-A601 VanDerWaalsContact C-N 3.34Å; D599-A601 PolarHBondContact O-N 3.44Å; D599-F602 PolarHBondContact O-N 3.49Å; D599-E603 PolarHBondContact O-N 2.91Å; D599-R668 IonicContact OD1-CZ 3.65Å; D599-R668 VanDerWaalsContact OD1-CZ 3.25Å; D599-R668 IonicContact OD1-NH1 3.16Å; D599-R668 PolarHBondContact OD1-NH1 2.84Å; D599-R668 IonicContact OD1-NH2 2.93Å; D599-R668 PolarHBondContact OD1-NH2 3.26Å
600	S	96	Very high	95.6	Very high	59 Å²	59	39.8 Å²	39.8	41%	0.413	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-39.9	175	-176.1	0	0	0	0	112.5	A596 L597 L598 F602 E603 H604	A596-S600 WeakPolarHBondContact O-CB 3.11Å; A596-S600 PolarHBondContact O-N 2.82Å; L597-S600 PolarHBondContact O-N 3.18Å; L598-S600 PolarHBondContact O-N 2.68Å; S600-F602 PolarHBondContact O-N 2.95Å; S600-E603 PolarHBondContact O-N 3.47Å; S600-H604 WeakPolarHBondContact O-CB 3.31Å; S600-H604 PolarHBondContact O-N 3.46Å
601	A	96.7	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-42.7	176.3	0	0	0	0	0	112	I486 F540 L544 L597 L598 D599 H604 L605	I486-A601 HydrophobicContact CD1-CB 3.6Å; I486-A601 HydrophobicContact CG1-CB 4.14Å; I486-A601 HydrophobicContact CG2-CB 3.84Å; F540-A601 HydrophobicContact CE1-CB 4.48Å; F540-A601 HydrophobicContact CZ-CB 4.04Å; L544-A601 HydrophobicContact CD1-CB 4.06Å; L544-A601 HydrophobicContact CG-CB 4.24Å; L597-A601 WeakPolarHBondContact O-CB 3.36Å; L597-A601 PolarHBondContact O-N 3.41Å; L598-A601 WeakPolarHBondContact O-CB 3.45Å; L598-A601 PolarHBondContact O-N 3.35Å; D599-A601 VanDerWaalsContact C-N 3.34Å; D599-A601 PolarHBondContact O-N 3.44Å; A601-H604 WeakPolarHBondContact O-CB 3.25Å; A601-H604 PolarHBondContact O-N 2.57Å; A601-L605 PolarHBondContact O-N 3.34Å
602	F	97.4	Very high	94.9	Very high	3 Å²	3	44 Å²	44	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-71.5	-34.9	177.4	-85.8	-69.3	0	0	0	113.1	L544 L598 D599 S600 H604 L605 S606 N665 R668 F669 I672	L544-F602 HydrophobicContact CD2-CD1 4.48Å; L544-F602 HydrophobicContact CD2-CD2 4.25Å; L544-F602 HydrophobicContact CD2-CE1 4.03Å; L544-F602 HydrophobicContact CD2-CE2 3.75Å; L544-F602 HydrophobicContact CD2-CZ 3.64Å; L598-F602 HydrophobicContact CD1-CD2 4.07Å; L598-F602 HydrophobicContact CD1-CE2 3.71Å; L598-F602 HydrophobicContact CG-CD2 4.01Å; L598-F602 HydrophobicContact CG-CE2 3.95Å; L598-F602 VanDerWaalsContact O-CD2 3.32Å; L598-F602 WeakPolarHBondContact O-CD2 3.41Å; L598-F602 PolarHBondContact O-N 2.89Å; D599-F602 PolarHBondContact O-N 3.49Å; S600-F602 PolarHBondContact O-N 2.95Å; F602-H604 VanDerWaalsContact C-N 3.28Å; F602-H604 PolarHBondContact O-N 2.8Å; F602-L605 HydrophobicContact CD1-CD1 4.25Å; F602-L605 HydrophobicContact CE1-CD1 4.43Å; F602-L605 PolarHBondContact O-N 2.96Å; F602-S606 VanDerWaalsContact O-CB 3.32Å; F602-S606 WeakPolarHBondContact O-CB 3.43Å; F602-S606 PolarHBondContact O-N 3.02Å; F602-N665 HydrophobicContact CZ-CB 4.09Å; F602-R668 HydrophobicContact CD1-CG 4.25Å; F602-R668 HydrophobicContact CD2-CG 4.15Å; F602-R668 HydrophobicContact CE1-CB 4.21Å; F602-R668 HydrophobicContact CE1-CG 4Å; F602-R668 HydrophobicContact CE2-CB 4.33Å; F602-R668 VanDerWaalsContact CE2-CD 3.45Å; F602-R668 HydrophobicContact CE2-CG 3.91Å; F602-R668 HydrophobicContact CG-CG 4.31Å; F602-R668 HydrophobicContact CZ-CB 3.88Å; F602-R668 HydrophobicContact CZ-CG 3.82Å; F602-F669 HydrophobicContact CE1-CB 3.99Å; F602-F669 HydrophobicContact CE1-CD2 4.41Å; F602-I672 HydrophobicContact CB-CD1 3.72Å; F602-I672 HydrophobicContact CD1-CD1 3.46Å; F602-I672 VanDerWaalsContact CD1-CD1 3.46Å; F602-I672 HydrophobicContact CE1-CD1 4.34Å; F602-I672 HydrophobicContact CG-CD1 3.85Å
603	E	95.2	Very high	94.5	Very high	136 Å²	136	40.6 Å²	40.6	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-61.7	-40.2	170.7	-173	-179.5	-177.8	0	0	111.1	D599 S600 S606 T607	D599-E603 PolarHBondContact O-N 2.91Å; S600-E603 PolarHBondContact O-N 3.47Å; E603-S606 WeakPolarHBondContact O-CB 3.45Å; E603-S606 PolarHBondContact O-N 3.44Å; E603-T607 PolarHBondContact O-N 3.43Å; E603-T607 PolarHBondContact O-OG1 3.29Å
604	H	92.1	Very high	94.2	Very high	68 Å²	68	37.8 Å²	37.8	32%	0.315	22%	0.217	S	C	.	.	H	α-helix	trans	-64.7	-46.8	175.1	-167.8	78.9	0	0	0	111.8	G489 F490 S600 A601 F602 S606 T607 S608	G489-H604 VanDerWaalsContact CA-NE2 3.3Å; G489-H604 WeakPolarHBondContact CA-NE2 3.49Å; F490-H604 PolarHBondContact N-CD2 3.32Å; F490-H604 PolarHBondContact N-NE2 3.22Å; S600-H604 WeakPolarHBondContact O-CB 3.31Å; S600-H604 PolarHBondContact O-N 3.46Å; A601-H604 WeakPolarHBondContact O-CB 3.25Å; A601-H604 PolarHBondContact O-N 2.57Å; F602-H604 VanDerWaalsContact C-N 3.28Å; F602-H604 PolarHBondContact O-N 2.8Å; H604-S606 VanDerWaalsContact C-N 3.31Å; H604-S606 PolarHBondContact O-N 3.27Å; H604-T607 PolarHBondContact O-N 2.87Å; H604-S608 VanDerWaalsContact O-CB 3.25Å; H604-S608 WeakPolarHBondContact O-CB 3.39Å; H604-S608 PolarHBondContact O-N 2.92Å; H604-S608 PolarHBondContact O-OG 2.86Å
605	L	94.3	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-39.7	174.4	-73.6	175.5	0	0	0	112.1	F490 F540 L544 A601 F602 V609 I610 F669	F490-L605 HydrophobicContact CB-CD2 4.09Å; F490-L605 HydrophobicContact CD1-CD2 4.41Å; F490-L605 HydrophobicContact CD2-CD2 3.8Å; F490-L605 HydrophobicContact CE2-CD2 4.29Å; F490-L605 HydrophobicContact CG-CD2 3.85Å; F540-L605 HydrophobicContact CD1-CD2 4.31Å; F540-L605 HydrophobicContact CE1-CD1 3.94Å; F540-L605 HydrophobicContact CE1-CD2 3.76Å; F540-L605 HydrophobicContact CE1-CG 3.68Å; F540-L605 HydrophobicContact CZ-CG 4.28Å; L544-L605 HydrophobicContact CD2-CD1 3.92Å; A601-L605 PolarHBondContact O-N 3.34Å; F602-L605 HydrophobicContact CD1-CD1 4.25Å; F602-L605 HydrophobicContact CE1-CD1 4.43Å; F602-L605 PolarHBondContact O-N 2.96Å; L605-V609 HydrophobicContact CD2-CG2 4.15Å; L605-V609 WeakPolarHBondContact O-CA 3.33Å; L605-V609 VanDerWaalsContact O-CB 3.31Å; L605-V609 WeakPolarHBondContact O-CB 3.5Å; L605-V609 PolarHBondContact O-N 3.36Å; L605-I610 PolarHBondContact O-N 3.47Å; L605-F669 HydrophobicContact CB-CE2 4.32Å; L605-F669 HydrophobicContact CD1-CD2 4.13Å; L605-F669 HydrophobicContact CD1-CE2 4.21Å
606	S	94.7	Very high	93.3	Very high	22 Å²	22	44.5 Å²	44.5	15%	0.154	25%	0.253	C	S	.	.	I	π-helix	trans	-56.9	-54	176.2	-175.1	0	0	0	0	111	F602 E603 H604 I610 Q611	F602-S606 VanDerWaalsContact O-CB 3.32Å; F602-S606 WeakPolarHBondContact O-CB 3.43Å; F602-S606 PolarHBondContact O-N 3.02Å; E603-S606 WeakPolarHBondContact O-CB 3.45Å; E603-S606 PolarHBondContact O-N 3.44Å; H604-S606 VanDerWaalsContact C-N 3.31Å; H604-S606 PolarHBondContact O-N 3.27Å; S606-I610 PolarHBondContact O-N 2.85Å; S606-Q611 WeakPolarHBondContact O-CG 3.35Å; S606-Q611 PolarHBondContact O-N 3.18Å
607	T	92	Very high	92.9	Very high	81 Å²	81	42.4 Å²	42.4	50%	0.497	23%	0.233	S	C	.	.	I	π-helix	trans	-72.5	-42.7	-174.9	-51.7	0	0	0	0	112.7	E603 H604	E603-T607 PolarHBondContact O-N 3.43Å; E603-T607 PolarHBondContact O-OG1 3.29Å; H604-T607 PolarHBondContact O-N 2.87Å
608	S	87.7	Confident	92.6	Very high	46 Å²	46	41.2 Å²	41.2	32%	0.322	23%	0.227	S	C	.	.	I	π-helix	trans	-85.9	-29.6	-171.9	64.5	0	0	0	0	114.2	H604	H604-S608 VanDerWaalsContact O-CB 3.25Å; H604-S608 WeakPolarHBondContact O-CB 3.39Å; H604-S608 PolarHBondContact O-N 2.92Å; H604-S608 PolarHBondContact O-OG 2.86Å
609	V	90.1	Very high	92.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.25	C	S	.	.	I	π-helix	trans	-115.9	-61.3	-173.2	-179.6	0	0	0	0	110.6	F490 W494 L605 S612 Q613 F653 F657	F490-V609 HydrophobicContact CD1-CG2 3.47Å; F490-V609 VanDerWaalsContact CD1-CG2 3.47Å; F490-V609 HydrophobicContact CE1-CG2 3.69Å; F490-V609 HydrophobicContact CG-CG2 4.28Å; W494-V609 HydrophobicContact CD2-CG1 4.41Å; W494-V609 HydrophobicContact CH2-CG1 4.4Å; W494-V609 HydrophobicContact CZ2-CG1 3.66Å; L605-V609 HydrophobicContact CD2-CG2 4.15Å; L605-V609 WeakPolarHBondContact O-CA 3.33Å; L605-V609 VanDerWaalsContact O-CB 3.31Å; L605-V609 WeakPolarHBondContact O-CB 3.5Å; L605-V609 PolarHBondContact O-N 3.36Å; V609-S612 PolarHBondContact O-N 2.74Å; V609-Q613 WeakPolarHBondContact O-CB 3.39Å; V609-Q613 PolarHBondContact O-N 3.41Å; V609-Q613 VanDerWaalsContact O-N 3.09Å; V609-F653 HydrophobicContact CG1-CE2 3.75Å; V609-F653 HydrophobicContact CG1-CZ 3.9Å; V609-F657 HydrophobicContact CG1-CE2 4.4Å; V609-F657 HydrophobicContact CG1-CZ 3.85Å
610	I	93	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-65	-50.2	-166.5	-64.6	176.5	0	0	0	110.8	L605 S606 S612 Q613 V614 F653 F669 I672 L673 E676	L605-I610 PolarHBondContact O-N 3.47Å; S606-I610 PolarHBondContact O-N 2.85Å; I610-S612 VanDerWaalsContact C-N 3.32Å; I610-S612 PolarHBondContact O-N 3.5Å; I610-Q613 PolarHBondContact O-N 3.28Å; I610-Q613 VanDerWaalsContact O-N 3.09Å; I610-V614 HydrophobicContact CG2-CG2 4.01Å; I610-V614 WeakPolarHBondContact O-CG2 3.48Å; I610-V614 PolarHBondContact O-N 3.43Å; I610-F653 HydrophobicContact CG1-CZ 4.47Å; I610-F669 HydrophobicContact CD1-CD2 4Å; I610-F669 HydrophobicContact CD1-CE2 3.71Å; I610-F669 HydrophobicContact CD1-CZ 4.22Å; I610-F669 HydrophobicContact CG1-CE2 3.93Å; I610-F669 HydrophobicContact CG1-CZ 4.1Å; I610-I672 HydrophobicContact CD1-CB 3.94Å; I610-I672 HydrophobicContact CD1-CG2 3.49Å; I610-I672 VanDerWaalsContact CD1-CG2 3.49Å; I610-L673 HydrophobicContact CG2-CB 4.34Å; I610-L673 HydrophobicContact CG2-CD1 3.88Å; I610-E676 HydrophobicContact CG2-CB 3.83Å; I610-E676 HydrophobicContact CG2-CG 4.07Å
611	Q	93.2	Very high	91.3	Very high	60 Å²	60	43 Å²	43	28%	0.28	23%	0.234	S	C	.	.	H	α-helix	trans	-58.5	-41.4	-178.4	-75.4	178.2	5.5	0	0	113.3	S606 Q613 K615 E676	S606-Q611 WeakPolarHBondContact O-CG 3.35Å; S606-Q611 PolarHBondContact O-N 3.18Å; Q611-Q613 VanDerWaalsContact C-N 3.35Å; Q611-K615 VanDerWaalsContact O-CG 3.28Å; Q611-K615 WeakPolarHBondContact O-CG 3.46Å; Q611-K615 PolarHBondContact O-N 3.16Å; Q611-E676 HydrophobicContact CG-CG 4.23Å
612	S	89.4	Confident	90.9	Very high	69 Å²	69	48.6 Å²	48.6	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-39.9	177.4	-173.6	0	0	0	0	111.3	V609 I610 T616	V609-S612 PolarHBondContact O-N 2.74Å; I610-S612 VanDerWaalsContact C-N 3.32Å; I610-S612 PolarHBondContact O-N 3.5Å; S612-T616 PolarHBondContact O-N 2.87Å; S612-T616 PolarHBondContact O-OG1 3.34Å
613	Q	88.8	Confident	90.4	Very high	28 Å²	28	52.7 Å²	52.7	13%	0.131	29%	0.287	C	S	.	.	H	α-helix	trans	-71.5	-43.4	-178.6	-168.9	65.8	-11.8	0	0	111.9	W494 V609 I610 Q611 K615 T616 L617 F653	W494-Q613 HydrophobicContact CH2-CG 4.3Å; W494-Q613 HydrophobicContact CZ2-CB 4.33Å; W494-Q613 HydrophobicContact CZ2-CG 4.46Å; V609-Q613 WeakPolarHBondContact O-CB 3.39Å; V609-Q613 PolarHBondContact O-N 3.41Å; V609-Q613 VanDerWaalsContact O-N 3.09Å; I610-Q613 PolarHBondContact O-N 3.28Å; I610-Q613 VanDerWaalsContact O-N 3.09Å; Q611-Q613 VanDerWaalsContact C-N 3.35Å; Q613-K615 VanDerWaalsContact C-N 3.31Å; Q613-K615 PolarHBondContact O-N 2.77Å; Q613-T616 WeakPolarHBondContact O-CA 3.34Å; Q613-T616 WeakPolarHBondContact O-CB 3.23Å; Q613-T616 PolarHBondContact O-N 2.86Å; Q613-L617 HydrophobicContact CG-CD1 4.1Å; Q613-L617 HydrophobicContact CG-CG 4.35Å; Q613-L617 VanDerWaalsContact O-CG 3.31Å; Q613-L617 WeakPolarHBondContact O-CG 3.47Å; Q613-L617 PolarHBondContact O-N 2.85Å; Q613-F653 HydrophobicContact CB-CE2 4.27Å; Q613-F653 HydrophobicContact CB-CZ 4.37Å; Q613-F653 HydrophobicContact CG-CB 4.42Å; Q613-F653 HydrophobicContact CG-CD1 4.23Å; Q613-F653 HydrophobicContact CG-CD2 3.78Å; Q613-F653 HydrophobicContact CG-CE1 4.44Å; Q613-F653 HydrophobicContact CG-CE2 3.97Å; Q613-F653 HydrophobicContact CG-CG 3.86Å; Q613-F653 HydrophobicContact CG-CZ 4.29Å
614	V	92.2	Very high	90	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-40.9	176.4	175.5	0	0	0	0	111.4	I610 T616 L617 L618 L673 E676 I677 Q680	I610-V614 HydrophobicContact CG2-CG2 4.01Å; I610-V614 WeakPolarHBondContact O-CG2 3.48Å; I610-V614 PolarHBondContact O-N 3.43Å; V614-T616 PolarHBondContact O-N 2.94Å; V614-L617 PolarHBondContact O-N 3.47Å; V614-L618 HydrophobicContact CG1-CD1 3.65Å; V614-L618 HydrophobicContact CG1-CG 4.14Å; V614-L618 WeakPolarHBondContact O-CB 3.4Å; V614-L618 WeakPolarHBondContact O-CG 3.11Å; V614-L618 PolarHBondContact O-N 3.3Å; V614-L673 HydrophobicContact CG2-CD1 3.56Å; V614-E676 HydrophobicContact CB-CG 3.93Å; V614-E676 HydrophobicContact CG1-CG 4.11Å; V614-E676 HydrophobicContact CG2-CB 4.1Å; V614-E676 HydrophobicContact CG2-CG 3.8Å; V614-I677 HydrophobicContact CG1-CB 4.46Å; V614-I677 HydrophobicContact CG1-CG1 3.99Å; V614-I677 HydrophobicContact CG2-CG1 3.74Å; V614-Q680 HydrophobicContact CG1-CB 3.96Å; V614-Q680 HydrophobicContact CG1-CG 3.73Å
615	K	90	Very high	89.7	Confident	116 Å²	116	53.3 Å²	53.3	50%	0.504	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-37.1	173.5	-76	172.2	-175.7	170.6	0	112.6	Q611 Q613 N619	Q611-K615 VanDerWaalsContact O-CG 3.28Å; Q611-K615 WeakPolarHBondContact O-CG 3.46Å; Q611-K615 PolarHBondContact O-N 3.16Å; Q613-K615 VanDerWaalsContact C-N 3.31Å; Q613-K615 PolarHBondContact O-N 2.77Å; K615-N619 PolarHBondContact O-N 3.29Å
616	T	87.3	Confident	89.5	Confident	90 Å²	90	53.5 Å²	53.5	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-72.1	-47.2	178	-54	0	0	0	0	110.9	S612 Q613 V614 L618 N619	S612-T616 PolarHBondContact O-N 2.87Å; S612-T616 PolarHBondContact O-OG1 3.34Å; Q613-T616 WeakPolarHBondContact O-CA 3.34Å; Q613-T616 WeakPolarHBondContact O-CB 3.23Å; Q613-T616 PolarHBondContact O-N 2.86Å; V614-T616 PolarHBondContact O-N 2.94Å; T616-L618 VanDerWaalsContact C-N 3.33Å; T616-L618 PolarHBondContact O-N 3.04Å; T616-N619 WeakPolarHBondContact O-CB 3.46Å; T616-N619 PolarHBondContact O-N 2.92Å
617	L	88.2	Confident	89.1	Confident	14 Å²	14	56 Å²	56	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-56.1	-44.9	177.5	-72	168.5	0	0	0	111.9	Q613 V614 N619 H649	Q613-L617 HydrophobicContact CG-CD1 4.1Å; Q613-L617 HydrophobicContact CG-CG 4.35Å; Q613-L617 VanDerWaalsContact O-CG 3.31Å; Q613-L617 WeakPolarHBondContact O-CG 3.47Å; Q613-L617 PolarHBondContact O-N 2.85Å; V614-L617 PolarHBondContact O-N 3.47Å; L617-N619 VanDerWaalsContact C-N 3.35Å; L617-N619 PolarHBondContact O-N 2.78Å; L617-H649 HydrophobicContact CD2-CB 3.27Å
618	L	91.5	Very high	88.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	-174.6	-60.6	-178.4	0	0	0	114.1	V614 T616 V620 F621 K622 Q680 L681 F684	V614-L618 HydrophobicContact CG1-CD1 3.65Å; V614-L618 HydrophobicContact CG1-CG 4.14Å; V614-L618 WeakPolarHBondContact O-CB 3.4Å; V614-L618 WeakPolarHBondContact O-CG 3.11Å; V614-L618 PolarHBondContact O-N 3.3Å; T616-L618 VanDerWaalsContact C-N 3.33Å; T616-L618 PolarHBondContact O-N 3.04Å; L618-V620 VanDerWaalsContact C-N 3.29Å; L618-V620 PolarHBondContact O-N 2.93Å; L618-F621 WeakPolarHBondContact O-CB 3.42Å; L618-F621 PolarHBondContact O-N 2.8Å; L618-K622 PolarHBondContact O-N 3.16Å; L618-Q680 HydrophobicContact CD1-CB 3.48Å; L618-Q680 VanDerWaalsContact CD1-CB 3.48Å; L618-L681 HydrophobicContact CD1-CD2 4.12Å; L618-L681 HydrophobicContact CD1-CG 3.91Å; L618-L681 HydrophobicContact CD2-CD2 3.73Å; L618-L681 HydrophobicContact CD2-CG 4.09Å; L618-F684 HydrophobicContact CB-CD2 4.24Å; L618-F684 HydrophobicContact CB-CE2 3.73Å; L618-F684 HydrophobicContact CD1-CD2 4.43Å; L618-F684 HydrophobicContact CD1-CE2 4.25Å
619	N	87.9	Confident	88.7	Confident	100 Å²	100	56.1 Å²	56.1	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-35.4	179.7	-167.8	34.3	0	0	0	112	K615 T616 L617 K622 S623	K615-N619 PolarHBondContact O-N 3.29Å; T616-N619 WeakPolarHBondContact O-CB 3.46Å; T616-N619 PolarHBondContact O-N 2.92Å; L617-N619 VanDerWaalsContact C-N 3.35Å; L617-N619 PolarHBondContact O-N 2.78Å; N619-K622 WeakPolarHBondContact O-CB 3.37Å; N619-K622 PolarHBondContact O-N 3.31Å; N619-S623 PolarHBondContact O-N 3.47Å
620	V	86.9	Confident	88.4	Confident	66 Å²	66	62.3 Å²	62.3	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-51.3	173.9	-177.3	0	0	0	0	109.8	L618 K622 S623 L624 W642	L618-V620 VanDerWaalsContact C-N 3.29Å; L618-V620 PolarHBondContact O-N 2.93Å; V620-K622 VanDerWaalsContact C-N 3.27Å; V620-K622 PolarHBondContact O-N 3.02Å; V620-S623 PolarHBondContact O-N 3.15Å; V620-S623 PolarHBondContact O-OG 3.16Å; V620-L624 PolarHBondContact O-N 3.37Å; V620-W642 HydrophobicContact CB-CB 4.45Å; V620-W642 HydrophobicContact CG1-CB 3.68Å
621	F	89	Confident	87.9	Confident	1 Å²	1	69.9 Å²	69.9	0%	0.004	36%	0.358	C	S	.	.	H	α-helix	trans	-54.4	-42.8	177.2	-179.8	-96	0	0	0	112.4	L618 S623 L624 Y626 W642 L681 F684 I685 K688 L698	L618-F621 WeakPolarHBondContact O-CB 3.42Å; L618-F621 PolarHBondContact O-N 2.8Å; F621-S623 PolarHBondContact O-N 3.37Å; F621-L624 PolarHBondContact O-N 2.87Å; F621-L624 VanDerWaalsContact O-N 3.14Å; F621-Y626 HydrophobicContact CD2-CE2 4.44Å; F621-Y626 WeakPolarHBondContact CD2-OH 3.36Å; F621-Y626 AromaticContact CE2-CE2 3.9Å; F621-Y626 HydrophobicContact CE2-CE2 3.9Å; F621-Y626 AromaticContact CE2-CZ 3.77Å; F621-Y626 WeakPolarHBondContact CE2-OH 3.35Å; F621-Y626 HydrophobicContact CZ-CE2 4.25Å; F621-W642 HydrophobicContact CB-CE3 4.02Å; F621-W642 HydrophobicContact CB-CZ3 4.01Å; F621-W642 HydrophobicContact CD2-CD2 4.24Å; F621-W642 AromaticContact CD2-CE2 3.91Å; F621-W642 HydrophobicContact CD2-CE3 4.17Å; F621-W642 AromaticContact CD2-CH2 3.46Å; F621-W642 HydrophobicContact CD2-CH2 3.46Å; F621-W642 VanDerWaalsContact CD2-CH2 3.46Å; F621-W642 AromaticContact CD2-CZ2 3.52Å; F621-W642 HydrophobicContact CD2-CZ2 3.52Å; F621-W642 AromaticContact CD2-CZ3 3.81Å; F621-W642 HydrophobicContact CD2-CZ3 3.81Å; F621-W642 AromaticContact CE2-CH2 3.97Å; F621-W642 HydrophobicContact CE2-CH2 3.97Å; F621-W642 AromaticContact CE2-CZ2 3.87Å; F621-W642 HydrophobicContact CE2-CZ2 3.87Å; F621-W642 HydrophobicContact CG-CH2 4.29Å; F621-W642 HydrophobicContact CG-CZ3 4.25Å; F621-L681 HydrophobicContact CD1-CD2 3.65Å; F621-L681 HydrophobicContact CD2-CD2 4.11Å; F621-L681 HydrophobicContact CE1-CD2 3.66Å; F621-L681 HydrophobicContact CE2-CD2 4.08Å; F621-L681 HydrophobicContact CG-CD2 3.88Å; F621-L681 HydrophobicContact CZ-CD2 3.88Å; F621-F684 HydrophobicContact CD1-CB 3.89Å; F621-F684 HydrophobicContact CD1-CD2 4.11Å; F621-F684 HydrophobicContact CD1-CG 4.33Å; F621-F684 HydrophobicContact CE1-CB 3.65Å; F621-I685 HydrophobicContact CE1-CG1 4.28Å; F621-I685 HydrophobicContact CZ-CG1 3.96Å; F621-K688 HydrophobicContact CE1-CD 4.38Å; F621-K688 WeakPolarHBondContact O-CE 3.27Å; F621-K688 PolarHBondContact O-NZ 3.48Å; F621-L698 HydrophobicContact CE2-CD1 3.95Å; F621-L698 HydrophobicContact CZ-CD1 4.01Å
622	K	87.6	Confident	87.4	Confident	119 Å²	119	69.8 Å²	69.8	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-54.4	-36.6	176.4	-175.7	-175.2	176.7	-174.8	0	112.5	L618 N619 V620 F684 K688	L618-K622 PolarHBondContact O-N 3.16Å; N619-K622 WeakPolarHBondContact O-CB 3.37Å; N619-K622 PolarHBondContact O-N 3.31Å; V620-K622 VanDerWaalsContact C-N 3.27Å; V620-K622 PolarHBondContact O-N 3.02Å; K622-F684 HydrophobicContact CB-CD1 4.27Å; K622-F684 HydrophobicContact CB-CE1 4.12Å; K622-F684 HydrophobicContact CB-CZ 4.3Å; K622-F684 HydrophobicContact CD-CD1 4.45Å; K622-F684 HydrophobicContact CD-CE1 3.76Å; K622-F684 HydrophobicContact CD-CZ 4.21Å; K622-F684 HydrophobicContact CG-CD1 4.01Å; K622-F684 HydrophobicContact CG-CE1 3.81Å; K622-F684 HydrophobicContact CG-CZ 4.41Å; K622-K688 PolarHBondContact O-NZ 3.31Å
623	S	86.8	Confident	86.9	Confident	88 Å²	88	68.1 Å²	68.1	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-82.3	-18.9	-178.8	72.7	0	0	0	0	115.1	N619 V620 F621	N619-S623 PolarHBondContact O-N 3.47Å; V620-S623 PolarHBondContact O-N 3.15Å; V620-S623 PolarHBondContact O-OG 3.16Å; F621-S623 PolarHBondContact O-N 3.37Å
624	L	87.1	Confident	86.4	Confident	42 Å²	42	72.7 Å²	72.7	22%	0.22	37%	0.371	C	S	.	.			trans	-67.7	145.4	-177.7	-64.6	175.6	0	0	0	112.9	V620 F621 Y626 W642 K688	V620-L624 PolarHBondContact O-N 3.37Å; F621-L624 PolarHBondContact O-N 2.87Å; F621-L624 VanDerWaalsContact O-N 3.14Å; L624-Y626 HydrophobicContact CB-CE2 4.09Å; L624-W642 HydrophobicContact CD1-CB 3.9Å; L624-W642 HydrophobicContact CD1-CD2 4.04Å; L624-W642 HydrophobicContact CD1-CG 3.45Å; L624-W642 VanDerWaalsContact CD1-CG 3.45Å; L624-K688 PolarHBondContact O-NZ 2.89Å
625	K	86.8	Confident	85.8	Confident	176 Å²	176	77.5 Å²	77.5	77%	0.765	40%	0.4	S	S	*	.			trans	-106.1	131.6	172.6	-65.7	-179.7	-179.6	177.1	0	108.9	L628	K625-L628 WeakPolarHBondContact O-CD2 3.19Å
626	Y	90	Very high	85.3	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.016	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-104.3	26.1	176.6	-71.5	-91.3	0	0	0	112.1	F621 L624 L628 K688 F690 S691 G694 Q697 L698 E701	F621-Y626 HydrophobicContact CD2-CE2 4.44Å; F621-Y626 WeakPolarHBondContact CD2-OH 3.36Å; F621-Y626 AromaticContact CE2-CE2 3.9Å; F621-Y626 HydrophobicContact CE2-CE2 3.9Å; F621-Y626 AromaticContact CE2-CZ 3.77Å; F621-Y626 WeakPolarHBondContact CE2-OH 3.35Å; F621-Y626 HydrophobicContact CZ-CE2 4.25Å; L624-Y626 HydrophobicContact CB-CE2 4.09Å; Y626-L628 VanDerWaalsContact C-N 3.3Å; Y626-L628 PolarHBondContact O-N 3.14Å; Y626-K688 HydrophobicContact CD2-CD 4Å; Y626-K688 HydrophobicContact CE2-CD 4.16Å; Y626-F690 HydrophobicContact CD1-CD1 4.19Å; Y626-F690 AromaticContact CD1-CE1 3.98Å; Y626-F690 HydrophobicContact CD1-CE1 3.98Å; Y626-F690 HydrophobicContact CD2-CD1 4.43Å; Y626-F690 AromaticContact CD2-CE1 3.76Å; Y626-F690 HydrophobicContact CD2-CE1 3.76Å; Y626-F690 HydrophobicContact CD2-CZ 4.41Å; Y626-F690 HydrophobicContact CE2-CE1 4.48Å; Y626-F690 AromaticContact CG-CD1 3.74Å; Y626-F690 HydrophobicContact CG-CD1 3.74Å; Y626-F690 AromaticContact CG-CE1 3.47Å; Y626-F690 HydrophobicContact CG-CE1 3.47Å; Y626-F690 VanDerWaalsContact CG-CE1 3.47Å; Y626-F690 HydrophobicContact CG-CZ 4.49Å; Y626-F690 WeakPolarHBondContact O-CA 3.46Å; Y626-S691 PolarHBondContact O-N 2.76Å; Y626-S691 PolarHBondContact O-OG 3.39Å; Y626-G694 WeakPolarHBondContact CD1-O 3.29Å; Y626-G694 WeakPolarHBondContact O-CA 3.35Å; Y626-Q697 HydrophobicContact CE1-CG 4.48Å; Y626-L698 HydrophobicContact CD1-CB 4.27Å; Y626-L698 HydrophobicContact CE1-CB 4.06Å; Y626-L698 HydrophobicContact CE1-CD1 4.05Å; Y626-E701 VanDerWaalsContact CE1-OE2 3.24Å; Y626-E701 WeakPolarHBondContact CE1-OE2 3.47Å; Y626-E701 VanDerWaalsContact CZ-OE2 3.29Å; Y626-E701 PolarHBondContact OH-OE2 3.41Å
627	D	85.5	Confident	84.7	Confident	73 Å²	73	72.8 Å²	72.8	39%	0.39	38%	0.383	S	S	.	.			trans	-95.6	70.7	171	-172.4	43.4	0	0	0	107.7	R763	D627-R763 VanDerWaalsContact CG-CZ 3.4Å; D627-R763 IonicContact OD1-CZ 3.6Å; D627-R763 IonicContact OD1-NE 3.9Å; D627-R763 IonicContact OD1-NH1 3.31Å; D627-R763 PolarHBondContact OD1-NH1 3.07Å; D627-R763 IonicContact OD2-CZ 3.2Å; D627-R763 IonicContact OD2-NH1 2.6Å; D627-R763 PolarHBondContact OD2-NH1 3.3Å; D627-R763 IonicContact OD2-NH2 3.38Å; D627-R763 PolarHBondContact OD2-NH2 3.13Å
628	L	86.8	Confident	84.1	Confident	14 Å²	14	76.2 Å²	76.2	7%	0.073	41%	0.414	C	S	.	.			trans	-96.4	142.8	-171.1	-57.3	-176.5	0	0	0	110.9	K625 Y626 D632 L633 F636 S691 F693 Q697	K625-L628 WeakPolarHBondContact O-CD2 3.19Å; Y626-L628 VanDerWaalsContact C-N 3.3Å; Y626-L628 PolarHBondContact O-N 3.14Å; L628-D632 HydrophobicContact CB-CB 4.13Å; L628-D632 HydrophobicContact CD2-CB 4.1Å; L628-L633 HydrophobicContact CD1-CD2 4.27Å; L628-F636 HydrophobicContact CD1-CD2 3.93Å; L628-F636 HydrophobicContact CD1-CE2 3.76Å; L628-F636 HydrophobicContact CD1-CZ 4.5Å; L628-F636 HydrophobicContact CD2-CE2 3.72Å; L628-F636 HydrophobicContact CD2-CZ 4.41Å; L628-F636 HydrophobicContact CG-CE2 4.42Å; L628-S691 PolarHBondContact N-OG 2.79Å; L628-S691 WeakPolarHBondContact O-CB 3.41Å; L628-S691 PolarHBondContact O-OG 3.42Å; L628-F693 HydrophobicContact CB-CB 4.34Å; L628-Q697 HydrophobicContact CD1-CB 3.96Å; L628-Q697 HydrophobicContact CD1-CG 4.04Å
629	L	83.9	Confident	83.1	Confident	117 Å²	117	79.3 Å²	79.3	61%	0.613	43%	0.43	S	S	*	.			trans	-86.9	167.5	162.9	-61.5	174.2	0	0	0	109.8	E631 D632	L629-E631 VanDerWaalsContact C-N 3.28Å; L629-E631 PolarHBondContact O-N 3.39Å; L629-D632 PolarHBondContact N-OD2 2.7Å; L629-D632 WeakPolarHBondContact O-CB 3.22Å; L629-D632 PolarHBondContact O-N 3.38Å; L629-D632 VanDerWaalsContact O-N 3.15Å
630	E	83.5	Confident	82.7	Confident	131 Å²	131	75 Å²	75	61%	0.612	41%	0.408	S	S	*	.	H	α-helix	trans	-60.5	-39.2	178.1	-167.3	170.4	-178.7	0	0	111.8	D632 L633 F693	E630-D632 PolarHBondContact O-N 3.5Å; E630-L633 VanDerWaalsContact O-CB 3.31Å; E630-L633 WeakPolarHBondContact O-CB 3.27Å; E630-L633 PolarHBondContact O-N 3.37Å; E630-F693 HydrophobicContact CB-CD2 4.36Å; E630-F693 HydrophobicContact CB-CE1 4.1Å; E630-F693 HydrophobicContact CB-CE2 3.88Å; E630-F693 HydrophobicContact CB-CZ 3.72Å; E630-F693 HydrophobicContact CG-CE1 3.98Å; E630-F693 HydrophobicContact CG-CZ 3.98Å
631	E	82.8	Confident	82.2	Confident	158 Å²	158	81.2 Å²	81.2	74%	0.738	42%	0.424	S	S	*	.	H	α-helix	trans	-61.3	-28.9	176.7	-60.1	176.9	-174.7	0	0	113	L629 L633	L629-E631 VanDerWaalsContact C-N 3.28Å; L629-E631 PolarHBondContact O-N 3.39Å; E631-L633 VanDerWaalsContact C-N 3.29Å; E631-L633 PolarHBondContact O-N 2.96Å
632	D	82.6	Confident	82.1	Confident	59 Å²	59	81.9 Å²	81.9	32%	0.316	43%	0.426	S	S	.	.	H	α-helix	trans	-70.5	-28.4	176.8	-62.2	-49	0	0	0	111.2	L628 L629 E630 D634 V635 F636	L628-D632 HydrophobicContact CB-CB 4.13Å; L628-D632 HydrophobicContact CD2-CB 4.1Å; L629-D632 PolarHBondContact N-OD2 2.7Å; L629-D632 WeakPolarHBondContact O-CB 3.22Å; L629-D632 PolarHBondContact O-N 3.38Å; L629-D632 VanDerWaalsContact O-N 3.15Å; E630-D632 PolarHBondContact O-N 3.5Å; D632-D634 VanDerWaalsContact C-N 3.31Å; D632-D634 PolarHBondContact O-N 2.92Å; D632-V635 WeakPolarHBondContact O-CB 3.45Å; D632-V635 PolarHBondContact O-N 2.95Å; D632-V635 VanDerWaalsContact O-N 3.15Å; D632-F636 VanDerWaalsContact O-CD2 3.27Å; D632-F636 WeakPolarHBondContact O-CD2 3.2Å; D632-F636 PolarHBondContact O-N 2.98Å; D632-F636 VanDerWaalsContact O-N 3.13Å
633	L	79.8	Confident	82.2	Confident	33 Å²	33	76.5 Å²	76.5	17%	0.173	40%	0.403	C	S	.	.	H	α-helix	trans	-65.1	-34.7	-179.6	-67.3	-177	0	0	0	112.5	L628 E630 E631 V635 F636 A637 F693 Q697	L628-L633 HydrophobicContact CD1-CD2 4.27Å; E630-L633 VanDerWaalsContact O-CB 3.31Å; E630-L633 WeakPolarHBondContact O-CB 3.27Å; E630-L633 PolarHBondContact O-N 3.37Å; E631-L633 VanDerWaalsContact C-N 3.29Å; E631-L633 PolarHBondContact O-N 2.96Å; L633-V635 PolarHBondContact O-N 2.83Å; L633-F636 PolarHBondContact O-N 3.34Å; L633-A637 WeakPolarHBondContact O-CB 3.35Å; L633-A637 PolarHBondContact O-N 3.41Å; L633-F693 HydrophobicContact CD1-CB 3.78Å; L633-F693 HydrophobicContact CD1-CD1 3.45Å; L633-F693 VanDerWaalsContact CD1-CD1 3.45Å; L633-F693 HydrophobicContact CD1-CE1 4.34Å; L633-F693 HydrophobicContact CD1-CG 3.93Å; L633-F693 HydrophobicContact CD2-CB 4.12Å; L633-F693 HydrophobicContact CG-CB 3.98Å; L633-F693 HydrophobicContact CG-CD1 4.44Å; L633-F693 HydrophobicContact CG-CG 4.48Å; L633-Q697 HydrophobicContact CD2-CB 3.99Å
634	D	79.1	Confident	82.3	Confident	124 Å²	124	77.6 Å²	77.6	66%	0.663	40%	0.399	S	S	*	.	H	α-helix	trans	-64.1	-34.3	176.1	-70.8	-29.8	0	0	0	111.2	D632 A637 A638	D632-D634 VanDerWaalsContact C-N 3.31Å; D632-D634 PolarHBondContact O-N 2.92Å; D634-A637 PolarHBondContact O-N 2.96Å; D634-A638 PolarHBondContact O-N 3.35Å; D634-A638 VanDerWaalsContact O-N 3.08Å
635	V	79.4	Confident	82.3	Confident	102 Å²	102	77.7 Å²	77.7	62%	0.618	40%	0.402	S	S	*	.	H	α-helix	trans	-67.6	-46.4	175.5	-176.1	0	0	0	0	110.8	D632 L633 A637 A638 N639	D632-V635 WeakPolarHBondContact O-CB 3.45Å; D632-V635 PolarHBondContact O-N 2.95Å; D632-V635 VanDerWaalsContact O-N 3.15Å; L633-V635 PolarHBondContact O-N 2.83Å; V635-A637 VanDerWaalsContact C-N 3.34Å; V635-A638 PolarHBondContact O-N 3.33Å; V635-N639 PolarHBondContact O-N 3.27Å
636	F	79	Confident	82.5	Confident	44 Å²	44	69.6 Å²	69.6	19%	0.193	37%	0.368	C	S	.	.	H	α-helix	trans	-69.5	-29.9	175.5	-78.6	-80.6	0	0	0	112.8	L628 D632 L633 A638 N639 D640 Q697	L628-F636 HydrophobicContact CD1-CD2 3.93Å; L628-F636 HydrophobicContact CD1-CE2 3.76Å; L628-F636 HydrophobicContact CD1-CZ 4.5Å; L628-F636 HydrophobicContact CD2-CE2 3.72Å; L628-F636 HydrophobicContact CD2-CZ 4.41Å; L628-F636 HydrophobicContact CG-CE2 4.42Å; D632-F636 VanDerWaalsContact O-CD2 3.27Å; D632-F636 WeakPolarHBondContact O-CD2 3.2Å; D632-F636 PolarHBondContact O-N 2.98Å; D632-F636 VanDerWaalsContact O-N 3.13Å; L633-F636 PolarHBondContact O-N 3.34Å; F636-A638 VanDerWaalsContact C-N 3.34Å; F636-N639 CarbonylContact O-C 3.47Å; F636-D640 PolarHBondContact O-N 3.18Å; F636-Q697 HydrophobicContact CB-CG 4.39Å; F636-Q697 HydrophobicContact CD1-CG 4.31Å; F636-Q697 HydrophobicContact CG-CG 4.2Å
637	A	75	Confident	82.5	Confident	62 Å²	62	71.5 Å²	71.5	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-35.1	176	0	0	0	0	0	112	L633 D634 V635	L633-A637 WeakPolarHBondContact O-CB 3.35Å; L633-A637 PolarHBondContact O-N 3.41Å; D634-A637 PolarHBondContact O-N 2.96Å; V635-A637 VanDerWaalsContact C-N 3.34Å
638	A	74.4	Confident	82.7	Confident	86 Å²	86	70.3 Å²	70.3	71%	0.711	38%	0.378	S	S	*	.	H	α-helix	trans	-73.3	-36.4	176.9	0	0	0	0	0	113	D634 V635 F636	D634-A638 PolarHBondContact O-N 3.35Å; D634-A638 VanDerWaalsContact O-N 3.08Å; V635-A638 PolarHBondContact O-N 3.33Å; F636-A638 VanDerWaalsContact C-N 3.34Å
639	N	70.9	Confident	82.7	Confident	66 Å²	66	73.8 Å²	73.8	35%	0.353	39%	0.394	S	S	.	.			trans	-161.5	107.3	177.5	-165.4	-41.1	0	0	0	112.2	V635 F636 R641 E644	V635-N639 PolarHBondContact O-N 3.27Å; F636-N639 CarbonylContact O-C 3.47Å; N639-R641 VanDerWaalsContact C-N 3.29Å; N639-R641 HydrophobicContact CB-CG 4.39Å; N639-R641 PolarHBondContact O-N 3.27Å; N639-R641 WeakPolarHBondContact OD1-CG 3.42Å; N639-R641 PolarHBondContact OD1-N 3.41Å; N639-E644 PolarHBondContact OD1-OE2 3.11Å
640	D	78.9	Confident	83.1	Confident	11 Å²	11	68.2 Å²	68.2	6%	0.059	37%	0.365	C	S	.	.			trans	-85.3	74.7	173.6	-165.1	-11.3	0	0	0	110.9	F636 W642 I643 E644 Q697 E701	F636-D640 PolarHBondContact O-N 3.18Å; D640-W642 PolarHBondContact O-N 3Å; D640-W642 PolarHBondContact OD1-NE1 3.39Å; D640-I643 PolarHBondContact O-N 3.38Å; D640-I643 VanDerWaalsContact O-N 3.15Å; D640-E644 PolarHBondContact O-N 3.01Å; D640-E644 VanDerWaalsContact O-N 3.11Å; D640-Q697 PolarHBondContact OD2-NE2 3.45Å; D640-Q697 VanDerWaalsContact OD2-NE2 3.09Å; D640-E701 WeakPolarHBondContact OD2-CG 3.3Å
641	R	77.8	Confident	83.4	Confident	196 Å²	196	64.8 Å²	64.8	74%	0.74	35%	0.349	S	S	*	.	H	α-helix	trans	-54.9	-32.5	-168.6	-68.5	-177.2	178.3	-179.8	1.2	114	N639 S645	N639-R641 VanDerWaalsContact C-N 3.29Å; N639-R641 HydrophobicContact CB-CG 4.39Å; N639-R641 PolarHBondContact O-N 3.27Å; N639-R641 WeakPolarHBondContact OD1-CG 3.42Å; N639-R641 PolarHBondContact OD1-N 3.41Å; R641-S645 WeakPolarHBondContact O-CB 3.39Å; R641-S645 PolarHBondContact O-N 3.49Å; R641-S645 VanDerWaalsContact O-N 3.15Å
642	W	87	Confident	83.6	Confident	15 Å²	15	61.6 Å²	61.6	6%	0.057	34%	0.337	C	S	.	.	H	α-helix	trans	-79.2	-37.9	-176.9	86.2	-88.1	0	0	0	111.9	V620 F621 L624 D640 S645 C646 E701	V620-W642 HydrophobicContact CB-CB 4.45Å; V620-W642 HydrophobicContact CG1-CB 3.68Å; F621-W642 HydrophobicContact CB-CE3 4.02Å; F621-W642 HydrophobicContact CB-CZ3 4.01Å; F621-W642 HydrophobicContact CD2-CD2 4.24Å; F621-W642 AromaticContact CD2-CE2 3.91Å; F621-W642 HydrophobicContact CD2-CE3 4.17Å; F621-W642 AromaticContact CD2-CH2 3.46Å; F621-W642 HydrophobicContact CD2-CH2 3.46Å; F621-W642 VanDerWaalsContact CD2-CH2 3.46Å; F621-W642 AromaticContact CD2-CZ2 3.52Å; F621-W642 HydrophobicContact CD2-CZ2 3.52Å; F621-W642 AromaticContact CD2-CZ3 3.81Å; F621-W642 HydrophobicContact CD2-CZ3 3.81Å; F621-W642 AromaticContact CE2-CH2 3.97Å; F621-W642 HydrophobicContact CE2-CH2 3.97Å; F621-W642 AromaticContact CE2-CZ2 3.87Å; F621-W642 HydrophobicContact CE2-CZ2 3.87Å; F621-W642 HydrophobicContact CG-CH2 4.29Å; F621-W642 HydrophobicContact CG-CZ3 4.25Å; L624-W642 HydrophobicContact CD1-CB 3.9Å; L624-W642 HydrophobicContact CD1-CD2 4.04Å; L624-W642 HydrophobicContact CD1-CG 3.45Å; L624-W642 VanDerWaalsContact CD1-CG 3.45Å; D640-W642 PolarHBondContact O-N 3Å; D640-W642 PolarHBondContact OD1-NE1 3.39Å; W642-S645 PolarHBondContact O-N 2.98Å; W642-C646 HydrophobicContact CE3-CB 4.25Å; W642-C646 HydrophobicContact CZ3-CB 4.33Å; W642-C646 WeakPolarHBondContact O-CB 3.32Å; W642-C646 PolarHBondContact O-N 3.41Å; W642-E701 HydrophobicContact CZ2-CB 3.98Å; W642-E701 HydrophobicContact CZ2-CG 3.93Å; W642-E701 WeakPolarHBondContact CZ2-OE2 3.35Å; W642-E701 PolarHBondContact NE1-OE1 3.3Å; W642-E701 PolarHBondContact NE1-OE2 3.36Å
643	I	89.7	Confident	83.9	Confident	6 Å²	6	59 Å²	59	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-68	-46.8	175.9	-74.5	-146.2	0	0	0	111.3	D640 S645 C646 I647 E701 N704	D640-I643 PolarHBondContact O-N 3.38Å; D640-I643 VanDerWaalsContact O-N 3.15Å; I643-S645 PolarHBondContact O-N 3.07Å; I643-C646 WeakPolarHBondContact O-CB 3.5Å; I643-C646 PolarHBondContact O-N 3.13Å; I643-I647 HydrophobicContact CG2-CD1 3.61Å; I643-I647 HydrophobicContact CG2-CG1 4.22Å; I643-I647 WeakPolarHBondContact O-CB 3.32Å; I643-I647 WeakPolarHBondContact O-CG1 3.07Å; I643-I647 PolarHBondContact O-N 3.29Å; I643-E701 VanDerWaalsContact CD1-C 3.45Å; I643-E701 HydrophobicContact CD1-CB 3.41Å; I643-E701 VanDerWaalsContact CD1-CB 3.41Å; I643-E701 HydrophobicContact CD1-CG 3.53Å; I643-E701 WeakPolarHBondContact CD1-O 3.48Å; I643-E701 HydrophobicContact CG1-CB 4.29Å; I643-E701 HydrophobicContact CG1-CG 3.96Å; I643-N704 HydrophobicContact CD1-CB 4.11Å; I643-N704 HydrophobicContact CG2-CB 4.07Å
644	E	87.7	Confident	84.4	Confident	111 Å²	111	57.4 Å²	57.4	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-57.8	-43.7	177	-68.8	-178.4	-176.9	0	0	110.3	N639 D640 A648	N639-E644 PolarHBondContact OD1-OE2 3.11Å; D640-E644 PolarHBondContact O-N 3.01Å; D640-E644 VanDerWaalsContact O-N 3.11Å; E644-A648 VanDerWaalsContact O-CB 3.31Å; E644-A648 WeakPolarHBondContact O-CB 3.47Å; E644-A648 PolarHBondContact O-N 3.14Å
645	S	88	Confident	84.9	Confident	43 Å²	43	58 Å²	58	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-45.1	173.1	-177.9	0	0	0	0	112.1	R641 W642 I643 A648 H649	R641-S645 WeakPolarHBondContact O-CB 3.39Å; R641-S645 PolarHBondContact O-N 3.49Å; R641-S645 VanDerWaalsContact O-N 3.15Å; W642-S645 PolarHBondContact O-N 2.98Å; I643-S645 PolarHBondContact O-N 3.07Å; S645-A648 PolarHBondContact O-N 2.75Å; S645-H649 WeakPolarHBondContact O-CB 3.45Å; S645-H649 PolarHBondContact O-N 2.9Å; S645-H649 PolarHBondContact O-ND1 3.36Å; S645-H649 PolarHBondContact OG-CE1 2.94Å; S645-H649 PolarHBondContact OG-ND1 2.86Å
646	C	90.3	Very high	85.1	Confident	6 Å²	6	54 Å²	54	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-46.1	-179.1	-173.4	0	0	0	0	111.5	W642 I643 T650	W642-C646 HydrophobicContact CE3-CB 4.25Å; W642-C646 HydrophobicContact CZ3-CB 4.33Å; W642-C646 WeakPolarHBondContact O-CB 3.32Å; W642-C646 PolarHBondContact O-N 3.41Å; I643-C646 WeakPolarHBondContact O-CB 3.5Å; I643-C646 PolarHBondContact O-N 3.13Å; C646-T650 VanDerWaalsContact O-CB 3.3Å; C646-T650 WeakPolarHBondContact O-CB 3.31Å; C646-T650 PolarHBondContact O-N 3.49Å; C646-T650 PolarHBondContact O-OG1 3.24Å
647	I	90.8	Very high	85.7	Confident	44 Å²	44	52 Å²	52	23%	0.226	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-49.5	176.9	-68.8	172.8	0	0	0	110.1	I643 H649 T650 E651 Y708	I643-I647 HydrophobicContact CG2-CD1 3.61Å; I643-I647 HydrophobicContact CG2-CG1 4.22Å; I643-I647 WeakPolarHBondContact O-CB 3.32Å; I643-I647 WeakPolarHBondContact O-CG1 3.07Å; I643-I647 PolarHBondContact O-N 3.29Å; I647-H649 PolarHBondContact O-N 3.31Å; I647-T650 PolarHBondContact O-N 3.43Å; I647-E651 PolarHBondContact O-N 3.2Å; I647-Y708 HydrophobicContact CB-CD1 4.3Å; I647-Y708 HydrophobicContact CB-CE1 4.5Å; I647-Y708 HydrophobicContact CB-CG 4.36Å; I647-Y708 HydrophobicContact CD1-CG 4.2Å; I647-Y708 HydrophobicContact CG1-CD1 3.81Å; I647-Y708 HydrophobicContact CG1-CE1 4.45Å; I647-Y708 HydrophobicContact CG1-CG 3.86Å; I647-Y708 HydrophobicContact CG2-CD1 4.07Å; I647-Y708 HydrophobicContact CG2-CD2 3.6Å; I647-Y708 HydrophobicContact CG2-CE1 4.16Å; I647-Y708 HydrophobicContact CG2-CE2 3.72Å; I647-Y708 HydrophobicContact CG2-CG 3.78Å
648	A	89	Confident	86.5	Confident	48 Å²	48	52.7 Å²	52.7	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-47.5	179.7	0	0	0	0	0	112.3	E644 S645 T650 E651 D652	E644-A648 VanDerWaalsContact O-CB 3.31Å; E644-A648 WeakPolarHBondContact O-CB 3.47Å; E644-A648 PolarHBondContact O-N 3.14Å; S645-A648 PolarHBondContact O-N 2.75Å; A648-T650 VanDerWaalsContact C-N 3.3Å; A648-T650 PolarHBondContact O-N 3.35Å; A648-E651 PolarHBondContact O-N 2.79Å; A648-D652 PolarHBondContact O-N 3.02Å
649	H	88.3	Confident	87.1	Confident	88 Å²	88	50.7 Å²	50.7	41%	0.407	25%	0.245	S	C	.	.	H	α-helix	trans	-67.9	-30.4	178.5	-72.8	78.4	0	0	0	112.7	L617 S645 I647 F653	L617-H649 HydrophobicContact CD2-CB 3.27Å; S645-H649 WeakPolarHBondContact O-CB 3.45Å; S645-H649 PolarHBondContact O-N 2.9Å; S645-H649 PolarHBondContact O-ND1 3.36Å; S645-H649 PolarHBondContact OG-CE1 2.94Å; S645-H649 PolarHBondContact OG-ND1 2.86Å; I647-H649 PolarHBondContact O-N 3.31Å; H649-F653 VanDerWaalsContact O-CB 3.22Å; H649-F653 WeakPolarHBondContact O-CB 3.31Å; H649-F653 PolarHBondContact O-N 2.91Å
650	T	91	Very high	88.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-42.6	175.1	-58.8	0	0	0	0	110.8	C646 I647 A648 F653 L654 L673 Y708	C646-T650 VanDerWaalsContact O-CB 3.3Å; C646-T650 WeakPolarHBondContact O-CB 3.31Å; C646-T650 PolarHBondContact O-N 3.49Å; C646-T650 PolarHBondContact O-OG1 3.24Å; I647-T650 PolarHBondContact O-N 3.43Å; A648-T650 VanDerWaalsContact C-N 3.3Å; A648-T650 PolarHBondContact O-N 3.35Å; T650-F653 WeakPolarHBondContact O-CB 3.35Å; T650-F653 PolarHBondContact O-N 3.21Å; T650-L654 HydrophobicContact CG2-CD1 4.05Å; T650-L654 HydrophobicContact CG2-CG 4.42Å; T650-L654 VanDerWaalsContact O-CG 3.32Å; T650-L654 WeakPolarHBondContact O-CG 3.35Å; T650-L654 PolarHBondContact O-N 3.11Å; T650-L673 HydrophobicContact CG2-CD2 4Å; T650-Y708 HydrophobicContact CG2-CE1 3.81Å
651	E	90	Very high	88.8	Confident	58 Å²	58	47.8 Å²	47.8	27%	0.271	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-44.5	176.5	-167.3	60.2	-145.7	0	0	111.5	I647 A648 F653 L654 R655 R658 Y708	I647-E651 PolarHBondContact O-N 3.2Å; A648-E651 PolarHBondContact O-N 2.79Å; E651-F653 VanDerWaalsContact C-N 3.28Å; E651-F653 PolarHBondContact O-N 3.23Å; E651-L654 PolarHBondContact O-N 3.47Å; E651-R655 PolarHBondContact O-N 3.46Å; E651-R658 IonicContact OE1-NH1 2.81Å; E651-R658 PolarHBondContact OE1-NH1 2.97Å; E651-R658 IonicContact OE2-NH1 2.74Å; E651-R658 PolarHBondContact OE2-NH1 3.45Å; E651-Y708 PolarHBondContact N-OH 2.8Å; E651-Y708 PolarHBondContact OE2-OH 3.34Å
652	D	87.4	Confident	89.6	Confident	91 Å²	91	39.7 Å²	39.7	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-35	176.2	-74.8	-26.8	0	0	0	112.1	A648 R655 P656	A648-D652 PolarHBondContact O-N 3.02Å; D652-R655 IonicContact OD1-CZ 2.67Å; D652-R655 IonicContact OD1-NH1 3.22Å; D652-R655 PolarHBondContact OD1-NH1 2.88Å; D652-R655 IonicContact OD1-NH2 3.68Å; D652-P656 WeakPolarHBondContact O-CD 3.43Å
653	F	88.1	Confident	89.8	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-44.6	173.4	167.7	-121.7	0	0	0	112.8	W494 V609 I610 Q613 H649 T650 E651 P656 F657 F669 L673	W494-F653 AromaticContact CH2-CD2 3.15Å; W494-F653 HydrophobicContact CH2-CD2 3.15Å; W494-F653 AromaticContact CH2-CE2 3.18Å; W494-F653 HydrophobicContact CH2-CE2 3.18Å; W494-F653 HydrophobicContact CH2-CG 4.43Å; W494-F653 HydrophobicContact CH2-CZ 4.5Å; W494-F653 HydrophobicContact CZ2-CD2 4.09Å; W494-F653 AromaticContact CZ2-CE2 3.69Å; W494-F653 HydrophobicContact CZ2-CE2 3.69Å; W494-F653 AromaticContact CZ3-CD2 3.62Å; W494-F653 HydrophobicContact CZ3-CD2 3.62Å; W494-F653 AromaticContact CZ3-CE2 3.78Å; W494-F653 HydrophobicContact CZ3-CE2 3.78Å; V609-F653 HydrophobicContact CG1-CE2 3.75Å; V609-F653 HydrophobicContact CG1-CZ 3.9Å; I610-F653 HydrophobicContact CG1-CZ 4.47Å; Q613-F653 HydrophobicContact CB-CE2 4.27Å; Q613-F653 HydrophobicContact CB-CZ 4.37Å; Q613-F653 HydrophobicContact CG-CB 4.42Å; Q613-F653 HydrophobicContact CG-CD1 4.23Å; Q613-F653 HydrophobicContact CG-CD2 3.78Å; Q613-F653 HydrophobicContact CG-CE1 4.44Å; Q613-F653 HydrophobicContact CG-CE2 3.97Å; Q613-F653 HydrophobicContact CG-CG 3.86Å; Q613-F653 HydrophobicContact CG-CZ 4.29Å; H649-F653 VanDerWaalsContact O-CB 3.22Å; H649-F653 WeakPolarHBondContact O-CB 3.31Å; H649-F653 PolarHBondContact O-N 2.91Å; T650-F653 WeakPolarHBondContact O-CB 3.35Å; T650-F653 PolarHBondContact O-N 3.21Å; E651-F653 VanDerWaalsContact C-N 3.28Å; E651-F653 PolarHBondContact O-N 3.23Å; F653-P656 VanDerWaalsContact O-CD 3.28Å; F653-P656 WeakPolarHBondContact O-CD 3.33Å; F653-P656 WeakPolarHBondContact O-CG 3.34Å; F653-F657 HydrophobicContact CD2-CE2 4.1Å; F653-F657 HydrophobicContact CE2-CD2 4.26Å; F653-F657 AromaticContact CE2-CE2 3.55Å; F653-F657 HydrophobicContact CE2-CE2 3.55Å; F653-F657 HydrophobicContact CE2-CZ 4.31Å; F653-F657 HydrophobicContact CZ-CE2 4.12Å; F653-F657 WeakPolarHBondContact O-CD2 3.21Å; F653-F669 AromaticContact CE1-CE1 3.97Å; F653-F669 HydrophobicContact CE1-CE1 3.97Å; F653-F669 HydrophobicContact CE1-CZ 4.11Å; F653-F669 HydrophobicContact CE2-CZ 4.49Å; F653-F669 AromaticContact CZ-CE1 3.97Å; F653-F669 HydrophobicContact CZ-CE1 3.97Å; F653-F669 AromaticContact CZ-CZ 3.67Å; F653-F669 HydrophobicContact CZ-CZ 3.67Å; F653-L673 HydrophobicContact CD1-CD1 4.29Å; F653-L673 HydrophobicContact CD1-CD2 3.87Å; F653-L673 HydrophobicContact CE1-CD1 3.8Å; F653-L673 HydrophobicContact CE1-CD2 3.78Å; F653-L673 HydrophobicContact CE1-CG 4.33Å
654	L	90.8	Very high	90	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-74.4	-29.7	-175.7	-71.5	175.9	0	0	0	112.9	T650 E651 F657 R658 F669 V670 L673 I712	T650-L654 HydrophobicContact CG2-CD1 4.05Å; T650-L654 HydrophobicContact CG2-CG 4.42Å; T650-L654 VanDerWaalsContact O-CG 3.32Å; T650-L654 WeakPolarHBondContact O-CG 3.35Å; T650-L654 PolarHBondContact O-N 3.11Å; E651-L654 PolarHBondContact O-N 3.47Å; L654-F657 PolarHBondContact O-N 3.42Å; L654-F657 VanDerWaalsContact O-N 3.11Å; L654-R658 WeakPolarHBondContact O-CB 3.12Å; L654-R658 WeakPolarHBondContact O-CG 3.36Å; L654-R658 PolarHBondContact O-N 2.9Å; L654-F669 HydrophobicContact CD2-CD1 3.9Å; L654-F669 HydrophobicContact CD2-CE1 3.8Å; L654-V670 HydrophobicContact CD1-CG2 4.22Å; L654-V670 HydrophobicContact CD2-CG2 4.02Å; L654-L673 HydrophobicContact CD1-CD2 4.3Å; L654-L673 HydrophobicContact CD2-CD2 3.71Å; L654-L673 HydrophobicContact CG-CD2 4.13Å; L654-I712 HydrophobicContact CD1-CD1 3.57Å
655	R	88.8	Confident	90.3	Very high	137 Å²	137	44 Å²	44	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-48	-50.3	-176.9	-172.2	-179.5	-78.5	134.6	-0.1	114.5	E651 D652 R658 S659	E651-R655 PolarHBondContact O-N 3.46Å; D652-R655 IonicContact OD1-CZ 2.67Å; D652-R655 IonicContact OD1-NH1 3.22Å; D652-R655 PolarHBondContact OD1-NH1 2.88Å; D652-R655 IonicContact OD1-NH2 3.68Å; R655-R658 PolarHBondContact O-N 3.32Å; R655-S659 PolarHBondContact O-N 2.85Å
656	P	85.3	Confident	90.6	Very high	18 Å²	18	42.5 Å²	42.5	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-41.5	178.4	23.1	-34.4	0	0	0	113.4	F527 D652 F653 S659	F527-P656 HydrophobicContact CE2-CB 3.92Å; F527-P656 WeakPolarHBondContact CE2-O 3.46Å; F527-P656 HydrophobicContact CZ-CB 4.04Å; D652-P656 WeakPolarHBondContact O-CD 3.43Å; F653-P656 VanDerWaalsContact O-CD 3.28Å; F653-P656 WeakPolarHBondContact O-CD 3.33Å; F653-P656 WeakPolarHBondContact O-CG 3.34Å; P656-S659 PolarHBondContact O-N 3.24Å; P656-S659 PolarHBondContact O-OG 3.44Å
657	F	91	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-40.5	179	-63.9	-85.6	0	0	0	111.8	F490 W494 L541 V609 F653 L654 S659 V660 L661 F669	F490-F657 HydrophobicContact CE2-CE1 4.31Å; F490-F657 AromaticContact CZ-CE1 3.97Å; F490-F657 HydrophobicContact CZ-CE1 3.97Å; F490-F657 HydrophobicContact CZ-CZ 4.16Å; W494-F657 HydrophobicContact CE3-CE2 4.37Å; W494-F657 HydrophobicContact CZ3-CE2 4.2Å; L541-F657 HydrophobicContact CD1-CD1 3.98Å; L541-F657 HydrophobicContact CD1-CE1 4.4Å; L541-F657 HydrophobicContact CD2-CD1 3.86Å; L541-F657 HydrophobicContact CD2-CE1 4.16Å; V609-F657 HydrophobicContact CG1-CE2 4.4Å; V609-F657 HydrophobicContact CG1-CZ 3.85Å; F653-F657 HydrophobicContact CD2-CE2 4.1Å; F653-F657 HydrophobicContact CE2-CD2 4.26Å; F653-F657 AromaticContact CE2-CE2 3.55Å; F653-F657 HydrophobicContact CE2-CE2 3.55Å; F653-F657 HydrophobicContact CE2-CZ 4.31Å; F653-F657 HydrophobicContact CZ-CE2 4.12Å; F653-F657 WeakPolarHBondContact O-CD2 3.21Å; L654-F657 PolarHBondContact O-N 3.42Å; L654-F657 VanDerWaalsContact O-N 3.11Å; F657-S659 PolarHBondContact O-N 3.41Å; F657-V660 PolarHBondContact O-N 2.97Å; F657-V660 VanDerWaalsContact O-N 3.13Å; F657-L661 HydrophobicContact CB-CD1 4.12Å; F657-L661 WeakPolarHBondContact O-CB 3.47Å; F657-L661 PolarHBondContact O-N 3.19Å; F657-F669 HydrophobicContact CB-CD1 4.31Å; F657-F669 HydrophobicContact CB-CE1 4.03Å; F657-F669 HydrophobicContact CD1-CE1 4.19Å; F657-F669 HydrophobicContact CD1-CE2 4.16Å; F657-F669 AromaticContact CD1-CZ 3.82Å; F657-F669 HydrophobicContact CD1-CZ 3.82Å; F657-F669 AromaticContact CD2-CE1 3.82Å; F657-F669 HydrophobicContact CD2-CE1 3.82Å; F657-F669 AromaticContact CD2-CZ 3.85Å; F657-F669 HydrophobicContact CD2-CZ 3.85Å; F657-F669 HydrophobicContact CE1-CE2 4.22Å; F657-F669 AromaticContact CE1-CZ 3.93Å; F657-F669 HydrophobicContact CE1-CZ 3.93Å; F657-F669 HydrophobicContact CE2-CE1 4.36Å; F657-F669 AromaticContact CE2-CZ 3.98Å; F657-F669 HydrophobicContact CE2-CZ 3.98Å; F657-F669 HydrophobicContact CG-CD1 4.42Å; F657-F669 AromaticContact CG-CE1 3.74Å; F657-F669 HydrophobicContact CG-CE1 3.74Å; F657-F669 AromaticContact CG-CZ 3.79Å; F657-F669 HydrophobicContact CG-CZ 3.79Å; F657-F669 HydrophobicContact CZ-CZ 4.02Å
658	R	90.6	Very high	91	Very high	77 Å²	77	44.7 Å²	44.7	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-28.3	174.6	-79.3	176.2	165.9	-173.7	-12.4	114.1	E651 L654 R655 V660 N666 I712	E651-R658 IonicContact OE1-NH1 2.81Å; E651-R658 PolarHBondContact OE1-NH1 2.97Å; E651-R658 IonicContact OE2-NH1 2.74Å; E651-R658 PolarHBondContact OE2-NH1 3.45Å; L654-R658 WeakPolarHBondContact O-CB 3.12Å; L654-R658 WeakPolarHBondContact O-CG 3.36Å; L654-R658 PolarHBondContact O-N 2.9Å; R655-R658 PolarHBondContact O-N 3.32Å; R658-V660 PolarHBondContact O-N 3.33Å; R658-N666 WeakPolarHBondContact CA-ND2 3.33Å; R658-N666 WeakPolarHBondContact CG-ND2 3.34Å; R658-I712 PolarHBondContact NH2-O 2.86Å
659	S	87.8	Confident	91.3	Very high	45 Å²	45	42.4 Å²	42.4	32%	0.315	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.9	177.8	72.6	0	0	0	0	114	N434 R655 P656 F657	N434-S659 PolarHBondContact ND2-O 3.06Å; R655-S659 PolarHBondContact O-N 2.85Å; P656-S659 PolarHBondContact O-N 3.24Å; P656-S659 PolarHBondContact O-OG 3.44Å; F657-S659 PolarHBondContact O-N 3.41Å
660	V	91.6	Very high	91.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-48.5	-175.7	-173	0	0	0	0	112.4	N434 F527 Y538 L541 V542 N545 F657 R658	N434-V660 HydrophobicContact CB-CG1 4.09Å; N434-V660 WeakPolarHBondContact CB-O 3.27Å; N434-V660 PolarHBondContact ND2-O 3.27Å; F527-V660 HydrophobicContact CD2-CG2 3.74Å; F527-V660 HydrophobicContact CE2-CG2 4.11Å; Y538-V660 HydrophobicContact CD2-CG1 3.93Å; Y538-V660 HydrophobicContact CD2-CG2 3.91Å; Y538-V660 HydrophobicContact CE2-CG1 3.79Å; Y538-V660 HydrophobicContact CE2-CG2 4.03Å; L541-V660 HydrophobicContact CB-CB 4.19Å; L541-V660 HydrophobicContact CB-CG1 3.64Å; L541-V660 HydrophobicContact CD1-CB 4.1Å; L541-V660 HydrophobicContact CD1-CG1 4.38Å; L541-V660 HydrophobicContact CD1-CG2 4.34Å; V542-V660 HydrophobicContact CG2-CG1 4.18Å; N545-V660 PolarHBondContact ND2-O 3Å; F657-V660 PolarHBondContact O-N 2.97Å; F657-V660 VanDerWaalsContact O-N 3.13Å; R658-V660 PolarHBondContact O-N 3.33Å
661	L	94.7	Very high	91.8	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.068	19%	0.194	C	C	.	.	S	Bend	trans	-65.9	143.3	-174.5	-67.8	176.9	0	0	0	112.2	L541 L544 N545 F657 N665 N666 F669	L541-L661 HydrophobicContact CB-CD2 4.11Å; L541-L661 HydrophobicContact CD2-CD1 4.49Å; L541-L661 HydrophobicContact CD2-CD2 3.88Å; L541-L661 HydrophobicContact CD2-CG 4.25Å; L544-L661 HydrophobicContact CB-CD2 4.23Å; L544-L661 HydrophobicContact CD2-CD2 4.24Å; N545-L661 WeakPolarHBondContact OD1-CA 3.36Å; F657-L661 HydrophobicContact CB-CD1 4.12Å; F657-L661 WeakPolarHBondContact O-CB 3.47Å; F657-L661 PolarHBondContact O-N 3.19Å; L661-N665 HydrophobicContact CB-CB 4.29Å; L661-N665 HydrophobicContact CD2-CB 4.11Å; L661-N666 HydrophobicContact CB-CB 4.34Å; L661-F669 HydrophobicContact CD1-CB 4.08Å; L661-F669 HydrophobicContact CD1-CG 4.28Å
662	S	93.6	Very high	92.1	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.182	19%	0.19	C	C	.	.			trans	-58.8	163	167.9	68.9	0	0	0	0	110.8	N545 E548 E664 N665 N666	N545-S662 PolarHBondContact OD1-N 3.06Å; E548-S662 WeakPolarHBondContact OE2-CB 3.32Å; E548-S662 PolarHBondContact OE2-OG 2.91Å; S662-E664 VanDerWaalsContact C-N 3.27Å; S662-E664 PolarHBondContact O-N 2.91Å; S662-N665 PolarHBondContact O-N 3.26Å; S662-N665 WeakPolarHBondContact OG-CB 3.23Å; S662-N665 PolarHBondContact OG-N 3.46Å; S662-N665 PolarHBondContact OG-ND2 2.96Å; S662-N666 WeakPolarHBondContact O-CB 3.38Å; S662-N666 PolarHBondContact O-N 3.44Å
663	T	92.3	Very high	92.4	Very high	100 Å²	100	34.1 Å²	34.1	61%	0.613	17%	0.167	S	C	*	.	H	α-helix	trans	-57.8	-39.9	178.8	49.1	0	0	0	0	112.7	N666 D667	T663-N666 PolarHBondContact O-N 3.5Å; T663-D667 PolarHBondContact O-N 3.39Å
664	E	92	Very high	92.7	Very high	120 Å²	120	33.9 Å²	33.9	56%	0.561	17%	0.166	S	C	*	.	H	α-helix	trans	-73.2	-44.9	-177.9	-167.5	166.9	-170	0	0	111.5	S662 N666 D667 R668	S662-E664 VanDerWaalsContact C-N 3.27Å; S662-E664 PolarHBondContact O-N 2.91Å; E664-N666 VanDerWaalsContact C-N 3.29Å; E664-N666 PolarHBondContact O-N 3.43Å; E664-D667 PolarHBondContact O-N 2.79Å; E664-R668 WeakPolarHBondContact O-CB 3.5Å; E664-R668 PolarHBondContact O-N 3.33Å
665	N	95.3	Very high	92.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-32.2	173.7	-73.6	-36.8	0	0	0	112.4	L544 N545 E548 F602 L661 S662 F669	L544-N665 PolarHBondContact O-ND2 3.36Å; L544-N665 VanDerWaalsContact O-ND2 3.13Å; N545-N665 WeakPolarHBondContact CA-ND2 3.25Å; N545-N665 PolarHBondContact N-ND2 3.42Å; N545-N665 PolarHBondContact OD1-ND2 2.86Å; E548-N665 PolarHBondContact OE2-ND2 3.24Å; F602-N665 HydrophobicContact CZ-CB 4.09Å; L661-N665 HydrophobicContact CB-CB 4.29Å; L661-N665 HydrophobicContact CD2-CB 4.11Å; S662-N665 PolarHBondContact O-N 3.26Å; S662-N665 WeakPolarHBondContact OG-CB 3.23Å; S662-N665 PolarHBondContact OG-N 3.46Å; S662-N665 PolarHBondContact OG-ND2 2.96Å; N665-F669 WeakPolarHBondContact O-CB 3.37Å; N665-F669 PolarHBondContact O-N 2.81Å
666	N	93.7	Very high	93.1	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.059	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-47.8	175.3	-160.8	-92.1	0	0	0	111.2	R658 L661 S662 T663 E664 R668 F669 V670	R658-N666 WeakPolarHBondContact CA-ND2 3.33Å; R658-N666 WeakPolarHBondContact CG-ND2 3.34Å; L661-N666 HydrophobicContact CB-CB 4.34Å; S662-N666 WeakPolarHBondContact O-CB 3.38Å; S662-N666 PolarHBondContact O-N 3.44Å; T663-N666 PolarHBondContact O-N 3.5Å; E664-N666 VanDerWaalsContact C-N 3.29Å; E664-N666 PolarHBondContact O-N 3.43Å; N666-R668 VanDerWaalsContact C-N 3.29Å; N666-R668 PolarHBondContact O-N 2.95Å; N666-F669 WeakPolarHBondContact O-CB 3.45Å; N666-F669 PolarHBondContact O-N 2.97Å; N666-V670 WeakPolarHBondContact O-CB 3.07Å; N666-V670 VanDerWaalsContact O-CG2 3.3Å; N666-V670 WeakPolarHBondContact O-CG2 3.2Å; N666-V670 PolarHBondContact O-N 3.18Å
667	D	94.3	Very high	93.6	Very high	20 Å²	20	32.1 Å²	32.1	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-44.3	176.6	-164.9	60.4	0	0	0	110.7	T663 E664 F669 V670 L671 S713 Y714 S715	T663-D667 PolarHBondContact O-N 3.39Å; E664-D667 PolarHBondContact O-N 2.79Å; D667-F669 PolarHBondContact O-N 3.19Å; D667-V670 PolarHBondContact O-N 3.05Å; D667-L671 WeakPolarHBondContact O-CG 3.41Å; D667-L671 PolarHBondContact O-N 3.15Å; D667-S713 PolarHBondContact OD1-OG 2.94Å; D667-Y714 HydrophobicContact CB-CD2 4.22Å; D667-Y714 PolarHBondContact OD1-N 3.23Å; D667-S715 PolarHBondContact OD1-N 3.45Å; D667-S715 VanDerWaalsContact OD2-CB 3.31Å; D667-S715 WeakPolarHBondContact OD2-CB 3.47Å; D667-S715 PolarHBondContact OD2-OG 3.22Å
668	R	95	Very high	93.7	Very high	75 Å²	75	32.5 Å²	32.5	28%	0.283	17%	0.167	S	C	.	.	H	α-helix	trans	-60.2	-43.9	175.4	-173.2	165.6	-178.9	177.9	6.1	112.7	D599 F602 E664 N666 L671 I672	D599-R668 IonicContact OD1-CZ 3.65Å; D599-R668 VanDerWaalsContact OD1-CZ 3.25Å; D599-R668 IonicContact OD1-NH1 3.16Å; D599-R668 PolarHBondContact OD1-NH1 2.84Å; D599-R668 IonicContact OD1-NH2 2.93Å; D599-R668 PolarHBondContact OD1-NH2 3.26Å; F602-R668 HydrophobicContact CD1-CG 4.25Å; F602-R668 HydrophobicContact CD2-CG 4.15Å; F602-R668 HydrophobicContact CE1-CB 4.21Å; F602-R668 HydrophobicContact CE1-CG 4Å; F602-R668 HydrophobicContact CE2-CB 4.33Å; F602-R668 VanDerWaalsContact CE2-CD 3.45Å; F602-R668 HydrophobicContact CE2-CG 3.91Å; F602-R668 HydrophobicContact CG-CG 4.31Å; F602-R668 HydrophobicContact CZ-CB 3.88Å; F602-R668 HydrophobicContact CZ-CG 3.82Å; E664-R668 WeakPolarHBondContact O-CB 3.5Å; E664-R668 PolarHBondContact O-N 3.33Å; N666-R668 VanDerWaalsContact C-N 3.29Å; N666-R668 PolarHBondContact O-N 2.95Å; R668-L671 PolarHBondContact O-N 3.44Å; R668-I672 HydrophobicContact CG-CD1 4.38Å; R668-I672 VanDerWaalsContact O-CG1 3.32Å; R668-I672 WeakPolarHBondContact O-CG1 3.29Å; R668-I672 PolarHBondContact O-N 3.05Å; R668-I672 VanDerWaalsContact O-N 3.16Å
669	F	95.6	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-44.7	175.4	-174.5	-105.6	0	0	0	111.9	F602 L605 I610 F653 L654 F657 L661 N665 N666 D667 I672 L673	F602-F669 HydrophobicContact CE1-CB 3.99Å; F602-F669 HydrophobicContact CE1-CD2 4.41Å; L605-F669 HydrophobicContact CB-CE2 4.32Å; L605-F669 HydrophobicContact CD1-CD2 4.13Å; L605-F669 HydrophobicContact CD1-CE2 4.21Å; I610-F669 HydrophobicContact CD1-CD2 4Å; I610-F669 HydrophobicContact CD1-CE2 3.71Å; I610-F669 HydrophobicContact CD1-CZ 4.22Å; I610-F669 HydrophobicContact CG1-CE2 3.93Å; I610-F669 HydrophobicContact CG1-CZ 4.1Å; F653-F669 AromaticContact CE1-CE1 3.97Å; F653-F669 HydrophobicContact CE1-CE1 3.97Å; F653-F669 HydrophobicContact CE1-CZ 4.11Å; F653-F669 HydrophobicContact CE2-CZ 4.49Å; F653-F669 AromaticContact CZ-CE1 3.97Å; F653-F669 HydrophobicContact CZ-CE1 3.97Å; F653-F669 AromaticContact CZ-CZ 3.67Å; F653-F669 HydrophobicContact CZ-CZ 3.67Å; L654-F669 HydrophobicContact CD2-CD1 3.9Å; L654-F669 HydrophobicContact CD2-CE1 3.8Å; F657-F669 HydrophobicContact CB-CD1 4.31Å; F657-F669 HydrophobicContact CB-CE1 4.03Å; F657-F669 HydrophobicContact CD1-CE1 4.19Å; F657-F669 HydrophobicContact CD1-CE2 4.16Å; F657-F669 AromaticContact CD1-CZ 3.82Å; F657-F669 HydrophobicContact CD1-CZ 3.82Å; F657-F669 AromaticContact CD2-CE1 3.82Å; F657-F669 HydrophobicContact CD2-CE1 3.82Å; F657-F669 AromaticContact CD2-CZ 3.85Å; F657-F669 HydrophobicContact CD2-CZ 3.85Å; F657-F669 HydrophobicContact CE1-CE2 4.22Å; F657-F669 AromaticContact CE1-CZ 3.93Å; F657-F669 HydrophobicContact CE1-CZ 3.93Å; F657-F669 HydrophobicContact CE2-CE1 4.36Å; F657-F669 AromaticContact CE2-CZ 3.98Å; F657-F669 HydrophobicContact CE2-CZ 3.98Å; F657-F669 HydrophobicContact CG-CD1 4.42Å; F657-F669 AromaticContact CG-CE1 3.74Å; F657-F669 HydrophobicContact CG-CE1 3.74Å; F657-F669 AromaticContact CG-CZ 3.79Å; F657-F669 HydrophobicContact CG-CZ 3.79Å; F657-F669 HydrophobicContact CZ-CZ 4.02Å; L661-F669 HydrophobicContact CD1-CB 4.08Å; L661-F669 HydrophobicContact CD1-CG 4.28Å; N665-F669 WeakPolarHBondContact O-CB 3.37Å; N665-F669 PolarHBondContact O-N 2.81Å; N666-F669 WeakPolarHBondContact O-CB 3.45Å; N666-F669 PolarHBondContact O-N 2.97Å; D667-F669 PolarHBondContact O-N 3.19Å; F669-I672 PolarHBondContact O-N 3.09Å; F669-L673 PolarHBondContact O-N 3.5Å
670	V	94.8	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-42	178.6	168.9	0	0	0	0	111	L654 N666 D667 I672 L673 I674 I712	L654-V670 HydrophobicContact CD1-CG2 4.22Å; L654-V670 HydrophobicContact CD2-CG2 4.02Å; N666-V670 WeakPolarHBondContact O-CB 3.07Å; N666-V670 VanDerWaalsContact O-CG2 3.3Å; N666-V670 WeakPolarHBondContact O-CG2 3.2Å; N666-V670 PolarHBondContact O-N 3.18Å; D667-V670 PolarHBondContact O-N 3.05Å; V670-I672 VanDerWaalsContact C-N 3.35Å; V670-I672 PolarHBondContact O-N 3.44Å; V670-L673 WeakPolarHBondContact O-CB 3.49Å; V670-L673 PolarHBondContact O-N 3.3Å; V670-I674 HydrophobicContact CG1-CD1 3.56Å; V670-I674 HydrophobicContact CG1-CG1 4.24Å; V670-I674 WeakPolarHBondContact O-CB 3.35Å; V670-I674 WeakPolarHBondContact O-CD1 3.23Å; V670-I674 WeakPolarHBondContact O-CG1 3.38Å; V670-I674 PolarHBondContact O-N 3.23Å; V670-I712 HydrophobicContact CG1-CD1 3.91Å; V670-I712 HydrophobicContact CG1-CG1 4.13Å
671	L	95	Very high	94.1	Very high	27 Å²	27	32 Å²	32	14%	0.141	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-40	176.4	-73.1	174.8	0	0	0	112.6	D667 R668 I674 N675 L717 Y720	D667-L671 WeakPolarHBondContact O-CG 3.41Å; D667-L671 PolarHBondContact O-N 3.15Å; R668-L671 PolarHBondContact O-N 3.44Å; L671-I674 PolarHBondContact O-N 3.49Å; L671-N675 WeakPolarHBondContact O-CB 3.29Å; L671-N675 PolarHBondContact O-N 2.83Å; L671-L717 HydrophobicContact CD2-CD2 3.54Å; L671-Y720 HydrophobicContact CD2-CE2 4.03Å
672	I	95.4	Very high	94	Very high	37 Å²	37	32.3 Å²	32.3	19%	0.19	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-43.2	175.4	-63.9	163.6	0	0	0	110.4	F602 I610 R668 F669 V670 N675 E676	F602-I672 HydrophobicContact CB-CD1 3.72Å; F602-I672 HydrophobicContact CD1-CD1 3.46Å; F602-I672 VanDerWaalsContact CD1-CD1 3.46Å; F602-I672 HydrophobicContact CE1-CD1 4.34Å; F602-I672 HydrophobicContact CG-CD1 3.85Å; I610-I672 HydrophobicContact CD1-CB 3.94Å; I610-I672 HydrophobicContact CD1-CG2 3.49Å; I610-I672 VanDerWaalsContact CD1-CG2 3.49Å; R668-I672 HydrophobicContact CG-CD1 4.38Å; R668-I672 VanDerWaalsContact O-CG1 3.32Å; R668-I672 WeakPolarHBondContact O-CG1 3.29Å; R668-I672 PolarHBondContact O-N 3.05Å; R668-I672 VanDerWaalsContact O-N 3.16Å; F669-I672 PolarHBondContact O-N 3.09Å; V670-I672 VanDerWaalsContact C-N 3.35Å; V670-I672 PolarHBondContact O-N 3.44Å; I672-N675 PolarHBondContact O-N 3.25Å; I672-E676 PolarHBondContact O-N 2.91Å
673	L	95.1	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-48.2	175.1	174.5	65.3	0	0	0	111.7	I610 V614 T650 F653 L654 F669 V670 N675 E676 I677	I610-L673 HydrophobicContact CG2-CB 4.34Å; I610-L673 HydrophobicContact CG2-CD1 3.88Å; V614-L673 HydrophobicContact CG2-CD1 3.56Å; T650-L673 HydrophobicContact CG2-CD2 4Å; F653-L673 HydrophobicContact CD1-CD1 4.29Å; F653-L673 HydrophobicContact CD1-CD2 3.87Å; F653-L673 HydrophobicContact CE1-CD1 3.8Å; F653-L673 HydrophobicContact CE1-CD2 3.78Å; F653-L673 HydrophobicContact CE1-CG 4.33Å; L654-L673 HydrophobicContact CD1-CD2 4.3Å; L654-L673 HydrophobicContact CD2-CD2 3.71Å; L654-L673 HydrophobicContact CG-CD2 4.13Å; F669-L673 PolarHBondContact O-N 3.5Å; V670-L673 WeakPolarHBondContact O-CB 3.49Å; V670-L673 PolarHBondContact O-N 3.3Å; L673-N675 VanDerWaalsContact C-N 3.33Å; L673-N675 PolarHBondContact O-N 2.81Å; L673-E676 PolarHBondContact O-N 2.93Å; L673-I677 HydrophobicContact CD1-CD1 3.93Å; L673-I677 HydrophobicContact CD1-CG1 4.17Å; L673-I677 HydrophobicContact CD2-CD1 4.45Å; L673-I677 HydrophobicContact CG-CD1 3.81Å; L673-I677 HydrophobicContact CG-CG1 4.43Å; L673-I677 VanDerWaalsContact O-CG1 3.29Å; L673-I677 WeakPolarHBondContact O-CG1 3.18Å; L673-I677 PolarHBondContact O-N 3.49Å
674	I	94	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-46.5	179	-70.4	163.8	0	0	0	110.3	V670 L671 E676 I677 L678 L709 L717 F721	V670-I674 HydrophobicContact CG1-CD1 3.56Å; V670-I674 HydrophobicContact CG1-CG1 4.24Å; V670-I674 WeakPolarHBondContact O-CB 3.35Å; V670-I674 WeakPolarHBondContact O-CD1 3.23Å; V670-I674 WeakPolarHBondContact O-CG1 3.38Å; V670-I674 PolarHBondContact O-N 3.23Å; L671-I674 PolarHBondContact O-N 3.49Å; I674-E676 VanDerWaalsContact C-N 3.33Å; I674-E676 PolarHBondContact O-N 3.33Å; I674-I677 PolarHBondContact O-N 3.4Å; I674-L678 HydrophobicContact CG2-CD1 3.89Å; I674-L678 HydrophobicContact CG2-CG 4.31Å; I674-L678 WeakPolarHBondContact O-CB 3.09Å; I674-L678 VanDerWaalsContact O-CG 3.3Å; I674-L678 WeakPolarHBondContact O-CG 3.28Å; I674-L678 PolarHBondContact O-N 3.06Å; I674-L709 HydrophobicContact CB-CD1 4.31Å; I674-L709 HydrophobicContact CD1-CB 4.12Å; I674-L709 HydrophobicContact CG1-CB 4.18Å; I674-L709 HydrophobicContact CG1-CD1 3.77Å; I674-L709 HydrophobicContact CG1-CD2 3.97Å; I674-L709 HydrophobicContact CG1-CG 4.18Å; I674-L709 HydrophobicContact CG2-CD1 3.98Å; I674-L717 HydrophobicContact CD1-CD1 3.63Å; I674-L717 HydrophobicContact CD1-CD2 3.72Å; I674-L717 HydrophobicContact CD1-CG 4.34Å; I674-F721 HydrophobicContact CG2-CE2 4.08Å
675	N	93.6	Very high	94	Very high	94 Å²	94	24.9 Å²	24.9	50%	0.503	12%	0.119	S	C	.	.	H	α-helix	trans	-61.7	-41.8	179.8	-167.1	35.8	0	0	0	111.7	L671 I672 L673 L678 H679	L671-N675 WeakPolarHBondContact O-CB 3.29Å; L671-N675 PolarHBondContact O-N 2.83Å; I672-N675 PolarHBondContact O-N 3.25Å; L673-N675 VanDerWaalsContact C-N 3.33Å; L673-N675 PolarHBondContact O-N 2.81Å; N675-L678 PolarHBondContact O-N 2.81Å; N675-H679 VanDerWaalsContact O-CB 3.24Å; N675-H679 WeakPolarHBondContact O-CB 3.21Å; N675-H679 PolarHBondContact O-N 3.22Å
676	E	95.3	Very high	93.8	Very high	22 Å²	22	27.4 Å²	27.4	10%	0.103	13%	0.131	C	C	.	.	H	α-helix	trans	-67.5	-40.6	176.3	-174.3	60.7	-151.8	0	0	112.1	I610 Q611 V614 I672 L673 I674 H679 Q680	I610-E676 HydrophobicContact CG2-CB 3.83Å; I610-E676 HydrophobicContact CG2-CG 4.07Å; Q611-E676 HydrophobicContact CG-CG 4.23Å; V614-E676 HydrophobicContact CB-CG 3.93Å; V614-E676 HydrophobicContact CG1-CG 4.11Å; V614-E676 HydrophobicContact CG2-CB 4.1Å; V614-E676 HydrophobicContact CG2-CG 3.8Å; I672-E676 PolarHBondContact O-N 2.91Å; L673-E676 PolarHBondContact O-N 2.93Å; I674-E676 VanDerWaalsContact C-N 3.33Å; I674-E676 PolarHBondContact O-N 3.33Å; E676-H679 PolarHBondContact O-N 2.85Å; E676-Q680 HydrophobicContact CG-CG 4.44Å; E676-Q680 WeakPolarHBondContact O-CB 3.35Å; E676-Q680 VanDerWaalsContact O-CG 3.29Å; E676-Q680 WeakPolarHBondContact O-CG 3.28Å; E676-Q680 PolarHBondContact O-N 3Å; E676-Q680 WeakPolarHBondContact OE1-CG 3.15Å; E676-Q680 PolarHBondContact OE1-NE2 3.29Å
677	I	94	Very high	93.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-51.1	174.3	-70.7	169.1	0	0	0	110.3	V614 L673 I674 H679 Q680 L681 L705	V614-I677 HydrophobicContact CG1-CB 4.46Å; V614-I677 HydrophobicContact CG1-CG1 3.99Å; V614-I677 HydrophobicContact CG2-CG1 3.74Å; L673-I677 HydrophobicContact CD1-CD1 3.93Å; L673-I677 HydrophobicContact CD1-CG1 4.17Å; L673-I677 HydrophobicContact CD2-CD1 4.45Å; L673-I677 HydrophobicContact CG-CD1 3.81Å; L673-I677 HydrophobicContact CG-CG1 4.43Å; L673-I677 VanDerWaalsContact O-CG1 3.29Å; L673-I677 WeakPolarHBondContact O-CG1 3.18Å; L673-I677 PolarHBondContact O-N 3.49Å; I674-I677 PolarHBondContact O-N 3.4Å; I677-H679 VanDerWaalsContact C-N 3.34Å; I677-H679 PolarHBondContact O-N 3.1Å; I677-Q680 PolarHBondContact O-N 3.13Å; I677-L681 HydrophobicContact CG2-CD1 3.83Å; I677-L681 HydrophobicContact CG2-CG 4.36Å; I677-L681 WeakPolarHBondContact O-CB 3.2Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.43Å; I677-L681 PolarHBondContact O-N 3.05Å; I677-L705 HydrophobicContact CG2-CD2 4.19Å
678	L	93.6	Very high	93.5	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-40	-179	-67.6	177.9	0	0	0	111.7	I674 N675 L681 D682 Y702 Y720 F721	I674-L678 HydrophobicContact CG2-CD1 3.89Å; I674-L678 HydrophobicContact CG2-CG 4.31Å; I674-L678 WeakPolarHBondContact O-CB 3.09Å; I674-L678 VanDerWaalsContact O-CG 3.3Å; I674-L678 WeakPolarHBondContact O-CG 3.28Å; I674-L678 PolarHBondContact O-N 3.06Å; N675-L678 PolarHBondContact O-N 2.81Å; L678-L681 PolarHBondContact O-N 3.48Å; L678-D682 PolarHBondContact O-N 3.03Å; L678-Y702 HydrophobicContact CD2-CE1 4.09Å; L678-Y720 WeakPolarHBondContact CD1-O 3.27Å; L678-F721 HydrophobicContact CD1-CD2 3.86Å; L678-F721 HydrophobicContact CD1-CE2 3.9Å; L678-F721 HydrophobicContact CD1-CG 4.34Å; L678-F721 HydrophobicContact CD1-CZ 4.39Å; L678-F721 HydrophobicContact CD2-CD1 4.13Å; L678-F721 HydrophobicContact CD2-CE1 3.8Å; L678-F721 HydrophobicContact CD2-CE2 4.21Å; L678-F721 HydrophobicContact CD2-CZ 3.85Å; L678-F721 HydrophobicContact CG-CE2 4.47Å
679	H	93.3	Very high	93.4	Very high	92 Å²	92	34.4 Å²	34.4	43%	0.426	16%	0.162	S	C	.	.	H	α-helix	trans	-62.2	-47.7	177	-175.5	67.4	0	0	0	112	N675 E676 I677 D682 Q683	N675-H679 VanDerWaalsContact O-CB 3.24Å; N675-H679 WeakPolarHBondContact O-CB 3.21Å; N675-H679 PolarHBondContact O-N 3.22Å; E676-H679 PolarHBondContact O-N 2.85Å; I677-H679 VanDerWaalsContact C-N 3.34Å; I677-H679 PolarHBondContact O-N 3.1Å; H679-D682 PolarHBondContact O-N 3.32Å; H679-Q683 PolarHBondContact NE2-NE2 2.89Å; H679-Q683 WeakPolarHBondContact O-CG 3.25Å; H679-Q683 PolarHBondContact O-N 2.99Å; H679-Q683 VanDerWaalsContact O-N 3.14Å
680	Q	93.7	Very high	93.3	Very high	21 Å²	21	34.4 Å²	34.4	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-38.1	178.4	-68.5	-67.4	-20.8	0	0	112	V614 L618 E676 I677 Q683 F684	V614-Q680 HydrophobicContact CG1-CB 3.96Å; V614-Q680 HydrophobicContact CG1-CG 3.73Å; L618-Q680 HydrophobicContact CD1-CB 3.48Å; L618-Q680 VanDerWaalsContact CD1-CB 3.48Å; E676-Q680 HydrophobicContact CG-CG 4.44Å; E676-Q680 WeakPolarHBondContact O-CB 3.35Å; E676-Q680 VanDerWaalsContact O-CG 3.29Å; E676-Q680 WeakPolarHBondContact O-CG 3.28Å; E676-Q680 PolarHBondContact O-N 3Å; E676-Q680 WeakPolarHBondContact OE1-CG 3.15Å; E676-Q680 PolarHBondContact OE1-NE2 3.29Å; I677-Q680 PolarHBondContact O-N 3.13Å; Q680-Q683 PolarHBondContact O-N 3Å; Q680-F684 HydrophobicContact CB-CE2 4.35Å; Q680-F684 WeakPolarHBondContact O-CD2 3.49Å; Q680-F684 WeakPolarHBondContact O-CG 3.22Å; Q680-F684 PolarHBondContact O-N 3.44Å
681	L	92.9	Very high	93.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-45.9	174.1	-76.8	174.3	0	0	0	111.8	L618 F621 I677 L678 Q683 F684 I685 Y702 L705	L618-L681 HydrophobicContact CD1-CD2 4.12Å; L618-L681 HydrophobicContact CD1-CG 3.91Å; L618-L681 HydrophobicContact CD2-CD2 3.73Å; L618-L681 HydrophobicContact CD2-CG 4.09Å; F621-L681 HydrophobicContact CD1-CD2 3.65Å; F621-L681 HydrophobicContact CD2-CD2 4.11Å; F621-L681 HydrophobicContact CE1-CD2 3.66Å; F621-L681 HydrophobicContact CE2-CD2 4.08Å; F621-L681 HydrophobicContact CG-CD2 3.88Å; F621-L681 HydrophobicContact CZ-CD2 3.88Å; I677-L681 HydrophobicContact CG2-CD1 3.83Å; I677-L681 HydrophobicContact CG2-CG 4.36Å; I677-L681 WeakPolarHBondContact O-CB 3.2Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.43Å; I677-L681 PolarHBondContact O-N 3.05Å; L678-L681 PolarHBondContact O-N 3.48Å; L681-Q683 VanDerWaalsContact C-N 3.32Å; L681-Q683 PolarHBondContact O-N 3.49Å; L681-F684 PolarHBondContact O-N 3.17Å; L681-F684 VanDerWaalsContact O-N 3.14Å; L681-I685 WeakPolarHBondContact O-CD1 3.15Å; L681-I685 VanDerWaalsContact O-CG1 3.27Å; L681-I685 WeakPolarHBondContact O-CG1 3.36Å; L681-I685 PolarHBondContact O-N 2.93Å; L681-Y702 WeakPolarHBondContact CB-OH 3.16Å; L681-Y702 HydrophobicContact CD1-CE1 4.11Å; L681-L705 HydrophobicContact CD1-CD2 3.64Å
682	D	91.4	Very high	93	Very high	19 Å²	19	37 Å²	37	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-48.3	175.6	-167.8	2.4	0	0	0	109.9	L678 H679 F684 I685 Q686 R723 I727	L678-D682 PolarHBondContact O-N 3.03Å; H679-D682 PolarHBondContact O-N 3.32Å; D682-F684 VanDerWaalsContact C-N 3.32Å; D682-F684 PolarHBondContact O-N 2.89Å; D682-I685 PolarHBondContact O-N 2.94Å; D682-Q686 WeakPolarHBondContact O-CG 3.44Å; D682-Q686 PolarHBondContact O-N 2.93Å; D682-Q686 VanDerWaalsContact O-N 3.1Å; D682-Q686 PolarHBondContact OD1-NE2 3.29Å; D682-R723 IonicContact OD2-CZ 2.76Å; D682-R723 IonicContact OD2-NE 3.47Å; D682-R723 PolarHBondContact OD2-NE 3.35Å; D682-R723 IonicContact OD2-NH2 2.86Å; D682-R723 PolarHBondContact OD2-NH2 3.44Å; D682-I727 WeakPolarHBondContact OD1-CD1 3.43Å
683	Q	92.2	Very high	92.7	Very high	70 Å²	70	38.3 Å²	38.3	33%	0.327	18%	0.176	S	C	.	.	H	α-helix	trans	-58.9	-38.5	177	-68.9	-167.4	20.4	0	0	113.9	H679 Q680 L681	H679-Q683 PolarHBondContact NE2-NE2 2.89Å; H679-Q683 WeakPolarHBondContact O-CG 3.25Å; H679-Q683 PolarHBondContact O-N 2.99Å; H679-Q683 VanDerWaalsContact O-N 3.14Å; Q680-Q683 PolarHBondContact O-N 3Å; L681-Q683 VanDerWaalsContact C-N 3.32Å; L681-Q683 PolarHBondContact O-N 3.49Å
684	F	92.2	Very high	92.6	Very high	20 Å²	20	38.3 Å²	38.3	9%	0.088	18%	0.176	C	C	.	.	H	α-helix	trans	-73	-36.4	177.7	-71.1	-44.5	0	0	0	112.4	L618 F621 K622 Q680 L681 D682 R687 K688	L618-F684 HydrophobicContact CB-CD2 4.24Å; L618-F684 HydrophobicContact CB-CE2 3.73Å; L618-F684 HydrophobicContact CD1-CD2 4.43Å; L618-F684 HydrophobicContact CD1-CE2 4.25Å; F621-F684 HydrophobicContact CD1-CB 3.89Å; F621-F684 HydrophobicContact CD1-CD2 4.11Å; F621-F684 HydrophobicContact CD1-CG 4.33Å; F621-F684 HydrophobicContact CE1-CB 3.65Å; K622-F684 HydrophobicContact CB-CD1 4.27Å; K622-F684 HydrophobicContact CB-CE1 4.12Å; K622-F684 HydrophobicContact CB-CZ 4.3Å; K622-F684 HydrophobicContact CD-CD1 4.45Å; K622-F684 HydrophobicContact CD-CE1 3.76Å; K622-F684 HydrophobicContact CD-CZ 4.21Å; K622-F684 HydrophobicContact CG-CD1 4.01Å; K622-F684 HydrophobicContact CG-CE1 3.81Å; K622-F684 HydrophobicContact CG-CZ 4.41Å; Q680-F684 HydrophobicContact CB-CE2 4.35Å; Q680-F684 WeakPolarHBondContact O-CD2 3.49Å; Q680-F684 WeakPolarHBondContact O-CG 3.22Å; Q680-F684 PolarHBondContact O-N 3.44Å; L681-F684 PolarHBondContact O-N 3.17Å; L681-F684 VanDerWaalsContact O-N 3.14Å; D682-F684 VanDerWaalsContact C-N 3.32Å; D682-F684 PolarHBondContact O-N 2.89Å; F684-R687 PolarHBondContact O-N 2.98Å; F684-K688 WeakPolarHBondContact O-CG 3.47Å
685	I	92.9	Very high	92.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-44	177.6	-71.9	163.5	0	0	0	110.7	F621 L681 D682 R687 K688 F690 L698 Y702 I727 L731 L761	F621-I685 HydrophobicContact CE1-CG1 4.28Å; F621-I685 HydrophobicContact CZ-CG1 3.96Å; L681-I685 WeakPolarHBondContact O-CD1 3.15Å; L681-I685 VanDerWaalsContact O-CG1 3.27Å; L681-I685 WeakPolarHBondContact O-CG1 3.36Å; L681-I685 PolarHBondContact O-N 2.93Å; D682-I685 PolarHBondContact O-N 2.94Å; I685-R687 PolarHBondContact O-N 2.9Å; I685-K688 PolarHBondContact O-N 3.48Å; I685-F690 HydrophobicContact CB-CZ 4.48Å; I685-F690 HydrophobicContact CG1-CZ 4.39Å; I685-F690 HydrophobicContact CG2-CE2 3.97Å; I685-F690 HydrophobicContact CG2-CZ 3.95Å; I685-L698 HydrophobicContact CD1-CD1 4.41Å; I685-L698 HydrophobicContact CD1-CD2 4.23Å; I685-L698 HydrophobicContact CG1-CD2 4.47Å; I685-Y702 HydrophobicContact CD1-CE2 3.63Å; I685-Y702 WeakPolarHBondContact CD1-OH 3.32Å; I685-I727 HydrophobicContact CG2-CG2 4.06Å; I685-L731 HydrophobicContact CG2-CD1 4.37Å; I685-L761 HydrophobicContact CG2-CD1 4.1Å; I685-L761 WeakPolarHBondContact O-CD1 3.29Å
686	Q	91.1	Very high	92.3	Very high	55 Å²	55	37.3 Å²	37.3	26%	0.257	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.4	177.8	-61.4	-63.5	-27.7	0	0	113.8	D682 S757	D682-Q686 WeakPolarHBondContact O-CG 3.44Å; D682-Q686 PolarHBondContact O-N 2.93Å; D682-Q686 VanDerWaalsContact O-N 3.1Å; D682-Q686 PolarHBondContact OD1-NE2 3.29Å; Q686-S757 PolarHBondContact OE1-OG 3.23Å
687	R	91.3	Very high	92.1	Very high	187 Å²	187	36.6 Å²	36.6	71%	0.706	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	3.8	-179.9	-62.5	177.6	-178.2	165.4	4.5	113.4	F684 I685	F684-R687 PolarHBondContact O-N 2.98Å; I685-R687 PolarHBondContact O-N 2.9Å
688	K	92	Very high	92	Very high	28 Å²	28	36.5 Å²	36.5	12%	0.122	17%	0.167	C	C	.	.			trans	-111	161.1	-178.2	-72.5	175.6	-177.4	-67.3	0	111	F621 K622 L624 Y626 F684 I685 F690 L761	F621-K688 HydrophobicContact CE1-CD 4.38Å; F621-K688 WeakPolarHBondContact O-CE 3.27Å; F621-K688 PolarHBondContact O-NZ 3.48Å; K622-K688 PolarHBondContact O-NZ 3.31Å; L624-K688 PolarHBondContact O-NZ 2.89Å; Y626-K688 HydrophobicContact CD2-CD 4Å; Y626-K688 HydrophobicContact CE2-CD 4.16Å; F684-K688 WeakPolarHBondContact O-CG 3.47Å; I685-K688 PolarHBondContact O-N 3.48Å; K688-F690 HydrophobicContact CB-CE2 3.75Å; K688-F690 HydrophobicContact CB-CZ 3.84Å; K688-F690 HydrophobicContact CD-CZ 4.42Å; K688-L761 WeakPolarHBondContact O-CD2 3.36Å
689	S	91.5	Very high	91.9	Very high	39 Å²	39	39 Å²	39	27%	0.273	18%	0.178	S	C	.	.			trans	-114.2	143.4	170.9	66.7	0	0	0	0	109.7	L761 R763	S689-L761 CarbonylContact C-O 3.57Å; S689-L761 WeakPolarHBondContact CA-O 3.45Å; S689-R763 PolarHBondContact OG-NE 3.31Å; S689-R763 PolarHBondContact OG-NH2 3.43Å
690	F	94.4	Very high	91.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-122	140.1	-174	-61.8	-94	0	0	0	111.2	Y626 I685 K688 L698 L731 L761 R762 R763	Y626-F690 HydrophobicContact CD1-CD1 4.19Å; Y626-F690 AromaticContact CD1-CE1 3.98Å; Y626-F690 HydrophobicContact CD1-CE1 3.98Å; Y626-F690 HydrophobicContact CD2-CD1 4.43Å; Y626-F690 AromaticContact CD2-CE1 3.76Å; Y626-F690 HydrophobicContact CD2-CE1 3.76Å; Y626-F690 HydrophobicContact CD2-CZ 4.41Å; Y626-F690 HydrophobicContact CE2-CE1 4.48Å; Y626-F690 AromaticContact CG-CD1 3.74Å; Y626-F690 HydrophobicContact CG-CD1 3.74Å; Y626-F690 AromaticContact CG-CE1 3.47Å; Y626-F690 HydrophobicContact CG-CE1 3.47Å; Y626-F690 VanDerWaalsContact CG-CE1 3.47Å; Y626-F690 HydrophobicContact CG-CZ 4.49Å; Y626-F690 WeakPolarHBondContact O-CA 3.46Å; I685-F690 HydrophobicContact CB-CZ 4.48Å; I685-F690 HydrophobicContact CG1-CZ 4.39Å; I685-F690 HydrophobicContact CG2-CE2 3.97Å; I685-F690 HydrophobicContact CG2-CZ 3.95Å; K688-F690 HydrophobicContact CB-CE2 3.75Å; K688-F690 HydrophobicContact CB-CZ 3.84Å; K688-F690 HydrophobicContact CD-CZ 4.42Å; F690-L698 HydrophobicContact CD1-CD2 4.37Å; F690-L698 HydrophobicContact CE1-CB 4.35Å; F690-L698 HydrophobicContact CE1-CD1 4.33Å; F690-L698 HydrophobicContact CE1-CD2 3.69Å; F690-L698 HydrophobicContact CE1-CG 4.34Å; F690-L698 HydrophobicContact CZ-CD2 4.07Å; F690-L731 HydrophobicContact CD1-CD1 4.42Å; F690-L731 HydrophobicContact CD2-CD1 4.11Å; F690-L731 HydrophobicContact CD2-CD2 4.18Å; F690-L731 HydrophobicContact CE2-CD1 4.18Å; F690-L731 HydrophobicContact CG-CD1 4.26Å; F690-L731 HydrophobicContact CG-CD2 4.49Å; F690-L731 HydrophobicContact CZ-CD1 4.38Å; F690-L761 HydrophobicContact CD2-CB 3.89Å; F690-L761 HydrophobicContact CE2-CB 4.33Å; F690-L761 HydrophobicContact CE2-CD1 4.31Å; F690-L761 PolarHBondContact N-O 3.25Å; F690-R762 WeakPolarHBondContact O-CA 3.46Å; F690-R763 PolarHBondContact O-N 3.36Å
691	S	92.3	Very high	91.6	Very high	16 Å²	16	37.7 Å²	37.7	11%	0.112	17%	0.171	C	C	.	.			trans	-87.3	172.7	158.5	72.6	0	0	0	0	110.1	Y626 L628 F693 G694 A695	Y626-S691 PolarHBondContact O-N 2.76Å; Y626-S691 PolarHBondContact O-OG 3.39Å; L628-S691 PolarHBondContact N-OG 2.79Å; L628-S691 WeakPolarHBondContact O-CB 3.41Å; L628-S691 PolarHBondContact O-OG 3.42Å; S691-F693 VanDerWaalsContact C-N 3.33Å; S691-F693 PolarHBondContact O-N 2.74Å; S691-G694 PolarHBondContact O-N 2.8Å; S691-G694 PolarHBondContact OG-N 3.39Å; S691-A695 PolarHBondContact O-N 2.71Å
692	R	90.4	Very high	91.6	Very high	65 Å²	65	37.8 Å²	37.8	25%	0.245	17%	0.171	C	C	.	.	H	α-helix	trans	-55.1	-49.3	172.7	-178	65.5	173.2	129.2	-16.7	111.5	A695 I696 N732 D734	R692-A695 PolarHBondContact O-N 3.43Å; R692-I696 HydrophobicContact CG-CD1 4.45Å; R692-I696 WeakPolarHBondContact O-CG1 3.34Å; R692-I696 PolarHBondContact O-N 2.88Å; R692-I696 VanDerWaalsContact O-N 3.17Å; R692-N732 PolarHBondContact NH1-O 2.93Å; R692-N732 PolarHBondContact NH1-OD1 3.35Å; R692-N732 PolarHBondContact NH2-O 2.86Å; R692-D734 IonicContact CZ-OD1 3.95Å; R692-D734 IonicContact NE-OD1 3.78Å; R692-D734 PolarHBondContact NE-OD1 2.86Å; R692-D734 VanDerWaalsContact NH2-CG 3.33Å; R692-D734 IonicContact NH2-OD1 3.51Å; R692-D734 PolarHBondContact NH2-OD1 2.8Å; R692-D734 IonicContact NH2-OD2 3.63Å
693	F	90.2	Very high	91.5	Very high	64 Å²	64	41.1 Å²	41.1	28%	0.281	19%	0.186	S	C	.	.	H	α-helix	trans	-67.5	-37.6	179.5	-60	-61.7	0	0	0	111.9	L628 E630 L633 S691 A695 I696 Q697	L628-F693 HydrophobicContact CB-CB 4.34Å; E630-F693 HydrophobicContact CB-CD2 4.36Å; E630-F693 HydrophobicContact CB-CE1 4.1Å; E630-F693 HydrophobicContact CB-CE2 3.88Å; E630-F693 HydrophobicContact CB-CZ 3.72Å; E630-F693 HydrophobicContact CG-CE1 3.98Å; E630-F693 HydrophobicContact CG-CZ 3.98Å; L633-F693 HydrophobicContact CD1-CB 3.78Å; L633-F693 HydrophobicContact CD1-CD1 3.45Å; L633-F693 VanDerWaalsContact CD1-CD1 3.45Å; L633-F693 HydrophobicContact CD1-CE1 4.34Å; L633-F693 HydrophobicContact CD1-CG 3.93Å; L633-F693 HydrophobicContact CD2-CB 4.12Å; L633-F693 HydrophobicContact CG-CB 3.98Å; L633-F693 HydrophobicContact CG-CD1 4.44Å; L633-F693 HydrophobicContact CG-CG 4.48Å; S691-F693 VanDerWaalsContact C-N 3.33Å; S691-F693 PolarHBondContact O-N 2.74Å; F693-A695 VanDerWaalsContact C-N 3.32Å; F693-A695 PolarHBondContact O-N 3.47Å; F693-I696 HydrophobicContact CD1-CD1 4.5Å; F693-I696 PolarHBondContact O-N 3.12Å; F693-Q697 PolarHBondContact O-N 3.4Å
694	G	91.7	Very high	91.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-37.7	172.4	0	0	0	0	0	113.7	Y626 S691 Q697 L698	Y626-G694 WeakPolarHBondContact CD1-O 3.29Å; Y626-G694 WeakPolarHBondContact O-CA 3.35Å; S691-G694 PolarHBondContact O-N 2.8Å; S691-G694 PolarHBondContact OG-N 3.39Å; G694-Q697 PolarHBondContact O-N 3.38Å; G694-L698 WeakPolarHBondContact O-CB 3.15Å; G694-L698 PolarHBondContact O-N 2.84Å
695	A	92.2	Very high	91.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-38.5	175.1	0	0	0	0	0	112.4	S691 R692 F693 L698 E699 L731 N732	S691-A695 PolarHBondContact O-N 2.71Å; R692-A695 PolarHBondContact O-N 3.43Å; F693-A695 VanDerWaalsContact C-N 3.32Å; F693-A695 PolarHBondContact O-N 3.47Å; A695-L698 PolarHBondContact O-N 2.75Å; A695-E699 PolarHBondContact O-N 3.39Å; A695-L731 HydrophobicContact CB-CB 3.77Å; A695-L731 WeakPolarHBondContact CB-O 3.23Å; A695-N732 WeakPolarHBondContact CB-OD1 3.28Å; A695-N732 PolarHBondContact O-ND2 2.78Å; A695-N732 PolarHBondContact O-OD1 3.38Å
696	I	90.9	Very high	91.3	Very high	74 Å²	74	42.7 Å²	42.7	38%	0.379	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-44.3	174.9	-65.4	168.1	0	0	0	110.1	R692 F693 E699 K700 N732	R692-I696 HydrophobicContact CG-CD1 4.45Å; R692-I696 WeakPolarHBondContact O-CG1 3.34Å; R692-I696 PolarHBondContact O-N 2.88Å; R692-I696 VanDerWaalsContact O-N 3.17Å; F693-I696 HydrophobicContact CD1-CD1 4.5Å; F693-I696 PolarHBondContact O-N 3.12Å; I696-E699 PolarHBondContact O-N 3.42Å; I696-K700 PolarHBondContact O-N 3.47Å; I696-N732 WeakPolarHBondContact CG1-OD1 3.43Å; I696-N732 PolarHBondContact N-OD1 3.26Å
697	Q	90.6	Very high	91.4	Very high	6 Å²	6	43 Å²	43	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-45	177	179.5	54.9	25.4	0	0	111.6	Y626 L628 L633 F636 D640 F693 G694 E699 K700 E701	Y626-Q697 HydrophobicContact CE1-CG 4.48Å; L628-Q697 HydrophobicContact CD1-CB 3.96Å; L628-Q697 HydrophobicContact CD1-CG 4.04Å; L633-Q697 HydrophobicContact CD2-CB 3.99Å; F636-Q697 HydrophobicContact CB-CG 4.39Å; F636-Q697 HydrophobicContact CD1-CG 4.31Å; F636-Q697 HydrophobicContact CG-CG 4.2Å; D640-Q697 PolarHBondContact OD2-NE2 3.45Å; D640-Q697 VanDerWaalsContact OD2-NE2 3.09Å; F693-Q697 PolarHBondContact O-N 3.4Å; G694-Q697 PolarHBondContact O-N 3.38Å; Q697-E699 VanDerWaalsContact C-N 3.32Å; Q697-E699 PolarHBondContact O-N 2.75Å; Q697-K700 PolarHBondContact O-N 3.35Å; Q697-E701 WeakPolarHBondContact CG-OE1 3.27Å; Q697-E701 PolarHBondContact NE2-OE1 3.48Å; Q697-E701 WeakPolarHBondContact O-CB 3.34Å; Q697-E701 VanDerWaalsContact O-CG 3.24Å; Q697-E701 WeakPolarHBondContact O-CG 3.19Å; Q697-E701 PolarHBondContact O-N 2.73Å
698	L	91.9	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-41.6	174.7	-175.4	74.7	0	0	0	112.1	F621 Y626 I685 F690 G694 A695 E701 Y702 L731	F621-L698 HydrophobicContact CE2-CD1 3.95Å; F621-L698 HydrophobicContact CZ-CD1 4.01Å; Y626-L698 HydrophobicContact CD1-CB 4.27Å; Y626-L698 HydrophobicContact CE1-CB 4.06Å; Y626-L698 HydrophobicContact CE1-CD1 4.05Å; I685-L698 HydrophobicContact CD1-CD1 4.41Å; I685-L698 HydrophobicContact CD1-CD2 4.23Å; I685-L698 HydrophobicContact CG1-CD2 4.47Å; F690-L698 HydrophobicContact CD1-CD2 4.37Å; F690-L698 HydrophobicContact CE1-CB 4.35Å; F690-L698 HydrophobicContact CE1-CD1 4.33Å; F690-L698 HydrophobicContact CE1-CD2 3.69Å; F690-L698 HydrophobicContact CE1-CG 4.34Å; F690-L698 HydrophobicContact CZ-CD2 4.07Å; G694-L698 WeakPolarHBondContact O-CB 3.15Å; G694-L698 PolarHBondContact O-N 2.84Å; A695-L698 PolarHBondContact O-N 2.75Å; L698-E701 VanDerWaalsContact O-CB 3.31Å; L698-E701 WeakPolarHBondContact O-CB 3.08Å; L698-E701 PolarHBondContact O-N 2.79Å; L698-Y702 HydrophobicContact CD1-CD2 4.11Å; L698-Y702 HydrophobicContact CD1-CE2 3.9Å; L698-Y702 HydrophobicContact CD2-CE2 4.38Å; L698-Y702 HydrophobicContact CG-CD2 3.96Å; L698-Y702 HydrophobicContact CG-CE2 4.02Å; L698-Y702 WeakPolarHBondContact O-CD2 3.38Å; L698-Y702 PolarHBondContact O-N 2.76Å; L698-L731 HydrophobicContact CD2-CD1 3.72Å
699	E	91.8	Very high	91.4	Very high	60 Å²	60	34 Å²	34	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-45.1	178.2	-179.8	170	-165.4	0	0	111.7	A695 I696 Q697 E701 Y702 H703 C728 N732	A695-E699 PolarHBondContact O-N 3.39Å; I696-E699 PolarHBondContact O-N 3.42Å; Q697-E699 VanDerWaalsContact C-N 3.32Å; Q697-E699 PolarHBondContact O-N 2.75Å; E699-E701 PolarHBondContact O-N 3.4Å; E699-Y702 PolarHBondContact O-N 3.44Å; E699-H703 VanDerWaalsContact CG-CE1 3.45Å; E699-H703 WeakPolarHBondContact CG-CE1 3.39Å; E699-H703 WeakPolarHBondContact CG-ND1 3.36Å; E699-H703 PolarHBondContact O-N 3.44Å; E699-H703 PolarHBondContact O-ND1 2.85Å; E699-H703 IonicContact OE1-CE1 3.87Å; E699-H703 PolarHBondContact OE1-CE1 3.44Å; E699-C728 HydrophobicContact CB-CB 4.05Å; E699-C728 HydrophobicContact CG-CB 4.21Å; E699-N732 VanDerWaalsContact CB-ND2 3.32Å; E699-N732 WeakPolarHBondContact CB-ND2 3.23Å; E699-N732 PolarHBondContact OE2-ND2 3.3Å
700	K	90	Very high	91.4	Very high	84 Å²	84	35 Å²	35	37%	0.365	18%	0.177	S	C	.	.	H	α-helix	trans	-56.9	-42.4	174.2	-179.5	-177.6	174.8	-170.7	0	110.9	I696 Q697 H703 N704	I696-K700 PolarHBondContact O-N 3.47Å; Q697-K700 PolarHBondContact O-N 3.35Å; K700-H703 PolarHBondContact O-N 2.73Å; K700-N704 PolarHBondContact O-N 3.42Å
701	E	90.8	Very high	91.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-49	177.3	-82.7	170.3	-177.3	0	0	112.7	Y626 D640 W642 I643 Q697 L698 E699 H703 N704 L705	Y626-E701 VanDerWaalsContact CE1-OE2 3.24Å; Y626-E701 WeakPolarHBondContact CE1-OE2 3.47Å; Y626-E701 VanDerWaalsContact CZ-OE2 3.29Å; Y626-E701 PolarHBondContact OH-OE2 3.41Å; D640-E701 WeakPolarHBondContact OD2-CG 3.3Å; W642-E701 HydrophobicContact CZ2-CB 3.98Å; W642-E701 HydrophobicContact CZ2-CG 3.93Å; W642-E701 WeakPolarHBondContact CZ2-OE2 3.35Å; W642-E701 PolarHBondContact NE1-OE1 3.3Å; W642-E701 PolarHBondContact NE1-OE2 3.36Å; I643-E701 VanDerWaalsContact CD1-C 3.45Å; I643-E701 HydrophobicContact CD1-CB 3.41Å; I643-E701 VanDerWaalsContact CD1-CB 3.41Å; I643-E701 HydrophobicContact CD1-CG 3.53Å; I643-E701 WeakPolarHBondContact CD1-O 3.48Å; I643-E701 HydrophobicContact CG1-CB 4.29Å; I643-E701 HydrophobicContact CG1-CG 3.96Å; Q697-E701 WeakPolarHBondContact CG-OE1 3.27Å; Q697-E701 PolarHBondContact NE2-OE1 3.48Å; Q697-E701 WeakPolarHBondContact O-CB 3.34Å; Q697-E701 VanDerWaalsContact O-CG 3.24Å; Q697-E701 WeakPolarHBondContact O-CG 3.19Å; Q697-E701 PolarHBondContact O-N 2.73Å; L698-E701 VanDerWaalsContact O-CB 3.31Å; L698-E701 WeakPolarHBondContact O-CB 3.08Å; L698-E701 PolarHBondContact O-N 2.79Å; E699-E701 PolarHBondContact O-N 3.4Å; E701-H703 VanDerWaalsContact C-N 3.3Å; E701-H703 PolarHBondContact O-N 2.75Å; E701-N704 PolarHBondContact O-N 3.25Å; E701-L705 WeakPolarHBondContact O-CB 3.45Å; E701-L705 PolarHBondContact O-N 2.79Å
702	Y	91.3	Very high	91.1	Very high	5 Å²	5	39 Å²	39	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-35.7	175.1	-95	-80.6	0	0	0	113.2	L678 L681 I685 L698 E699 L705 F706 F721 S724 C728	L678-Y702 HydrophobicContact CD2-CE1 4.09Å; L681-Y702 WeakPolarHBondContact CB-OH 3.16Å; L681-Y702 HydrophobicContact CD1-CE1 4.11Å; I685-Y702 HydrophobicContact CD1-CE2 3.63Å; I685-Y702 WeakPolarHBondContact CD1-OH 3.32Å; L698-Y702 HydrophobicContact CD1-CD2 4.11Å; L698-Y702 HydrophobicContact CD1-CE2 3.9Å; L698-Y702 HydrophobicContact CD2-CE2 4.38Å; L698-Y702 HydrophobicContact CG-CD2 3.96Å; L698-Y702 HydrophobicContact CG-CE2 4.02Å; L698-Y702 WeakPolarHBondContact O-CD2 3.38Å; L698-Y702 PolarHBondContact O-N 2.76Å; E699-Y702 PolarHBondContact O-N 3.44Å; Y702-L705 PolarHBondContact O-N 3.25Å; Y702-F706 WeakPolarHBondContact O-CB 3.32Å; Y702-F706 PolarHBondContact O-N 2.72Å; Y702-F721 HydrophobicContact CD1-CD1 4.38Å; Y702-F721 HydrophobicContact CD1-CE1 4.26Å; Y702-S724 VanDerWaalsContact CE1-CB 3.5Å; Y702-C728 WeakPolarHBondContact CD2-SG 3.4Å
703	H	90.5	Very high	91.1	Very high	88 Å²	88	36.5 Å²	36.5	41%	0.407	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-41.8	175.3	-78	86.6	0	0	0	111.8	E699 K700 E701 F706 A707	E699-H703 VanDerWaalsContact CG-CE1 3.45Å; E699-H703 WeakPolarHBondContact CG-CE1 3.39Å; E699-H703 WeakPolarHBondContact CG-ND1 3.36Å; E699-H703 PolarHBondContact O-N 3.44Å; E699-H703 PolarHBondContact O-ND1 2.85Å; E699-H703 IonicContact OE1-CE1 3.87Å; E699-H703 PolarHBondContact OE1-CE1 3.44Å; K700-H703 PolarHBondContact O-N 2.73Å; E701-H703 VanDerWaalsContact C-N 3.3Å; E701-H703 PolarHBondContact O-N 2.75Å; H703-F706 PolarHBondContact O-N 2.74Å; H703-A707 WeakPolarHBondContact O-CB 3.31Å; H703-A707 PolarHBondContact O-N 3.48Å
704	N	90.2	Very high	90.9	Very high	64 Å²	64	42.1 Å²	42.1	34%	0.342	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-45.8	175.1	-71.4	-16.6	0	0	0	111.4	I643 K700 E701 A707 Y708	I643-N704 HydrophobicContact CD1-CB 4.11Å; I643-N704 HydrophobicContact CG2-CB 4.07Å; K700-N704 PolarHBondContact O-N 3.42Å; E701-N704 PolarHBondContact O-N 3.25Å; N704-A707 PolarHBondContact O-N 3.35Å; N704-Y708 PolarHBondContact O-N 3.38Å
705	L	91.2	Very high	90.6	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.3	-177.1	64	0	0	0	111.3	I677 L681 E701 Y702 Y708 L709	I677-L705 HydrophobicContact CG2-CD2 4.19Å; L681-L705 HydrophobicContact CD1-CD2 3.64Å; E701-L705 WeakPolarHBondContact O-CB 3.45Å; E701-L705 PolarHBondContact O-N 2.79Å; Y702-L705 PolarHBondContact O-N 3.25Å; L705-Y708 PolarHBondContact O-N 3.36Å; L705-L709 HydrophobicContact CD1-CD1 4.04Å; L705-L709 HydrophobicContact CD1-CD2 4.43Å; L705-L709 HydrophobicContact CD1-CG 4Å; L705-L709 HydrophobicContact CG-CD1 3.98Å; L705-L709 HydrophobicContact CG-CG 4.24Å; L705-L709 WeakPolarHBondContact O-CB 3.45Å; L705-L709 VanDerWaalsContact O-CG 3.31Å; L705-L709 WeakPolarHBondContact O-CG 3.19Å; L705-L709 PolarHBondContact O-N 3.4Å
706	F	91.9	Very high	90.5	Very high	54 Å²	54	48.7 Å²	48.7	24%	0.237	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-44.6	176.1	179.2	-114.3	0	0	0	111.9	Y702 H703 L709 T710 L717 F721	Y702-F706 WeakPolarHBondContact O-CB 3.32Å; Y702-F706 PolarHBondContact O-N 2.72Å; H703-F706 PolarHBondContact O-N 2.74Å; F706-L709 PolarHBondContact O-N 3.01Å; F706-T710 VanDerWaalsContact O-CB 3.25Å; F706-T710 WeakPolarHBondContact O-CB 3.38Å; F706-T710 PolarHBondContact O-N 3.36Å; F706-T710 PolarHBondContact O-OG1 2.75Å; F706-L717 HydrophobicContact CE2-CB 3.94Å; F706-F721 HydrophobicContact CB-CD1 3.8Å; F706-F721 HydrophobicContact CB-CE1 3.59Å; F706-F721 HydrophobicContact CB-CG 4.44Å; F706-F721 HydrophobicContact CB-CZ 4.07Å; F706-F721 HydrophobicContact CD2-CB 3.84Å; F706-F721 AromaticContact CD2-CD1 3.58Å; F706-F721 HydrophobicContact CD2-CD1 3.58Å; F706-F721 AromaticContact CD2-CD2 3.41Å; F706-F721 HydrophobicContact CD2-CD2 3.41Å; F706-F721 VanDerWaalsContact CD2-CD2 3.41Å; F706-F721 AromaticContact CD2-CE1 3.87Å; F706-F721 HydrophobicContact CD2-CE1 3.87Å; F706-F721 AromaticContact CD2-CE2 3.71Å; F706-F721 HydrophobicContact CD2-CE2 3.71Å; F706-F721 AromaticContact CD2-CG 3.31Å; F706-F721 HydrophobicContact CD2-CG 3.31Å; F706-F721 AromaticContact CD2-CZ 3.91Å; F706-F721 HydrophobicContact CD2-CZ 3.91Å; F706-F721 HydrophobicContact CE2-CB 3.98Å; F706-F721 AromaticContact CE2-CD2 3.84Å; F706-F721 HydrophobicContact CE2-CD2 3.84Å; F706-F721 HydrophobicContact CE2-CE2 4.42Å; F706-F721 AromaticContact CE2-CG 3.88Å; F706-F721 HydrophobicContact CE2-CG 3.88Å; F706-F721 HydrophobicContact CG-CD1 4.06Å; F706-F721 HydrophobicContact CG-CE1 4.21Å; F706-F721 HydrophobicContact CG-CG 4.22Å
707	A	91.4	Very high	90.3	Very high	63 Å²	63	45.2 Å²	45.2	52%	0.521	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-44	177.8	0	0	0	0	0	111.7	H703 N704 S711	H703-A707 WeakPolarHBondContact O-CB 3.31Å; H703-A707 PolarHBondContact O-N 3.48Å; N704-A707 PolarHBondContact O-N 3.35Å; A707-S711 PolarHBondContact O-N 3.46Å
708	Y	91.8	Very high	90.2	Very high	26 Å²	26	53.7 Å²	53.7	10%	0.102	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-50.5	175.1	170.8	-110.5	0	0	0	112.4	I647 T650 E651 N704 L705 T710 S711 I712	I647-Y708 HydrophobicContact CB-CD1 4.3Å; I647-Y708 HydrophobicContact CB-CE1 4.5Å; I647-Y708 HydrophobicContact CB-CG 4.36Å; I647-Y708 HydrophobicContact CD1-CG 4.2Å; I647-Y708 HydrophobicContact CG1-CD1 3.81Å; I647-Y708 HydrophobicContact CG1-CE1 4.45Å; I647-Y708 HydrophobicContact CG1-CG 3.86Å; I647-Y708 HydrophobicContact CG2-CD1 4.07Å; I647-Y708 HydrophobicContact CG2-CD2 3.6Å; I647-Y708 HydrophobicContact CG2-CE1 4.16Å; I647-Y708 HydrophobicContact CG2-CE2 3.72Å; I647-Y708 HydrophobicContact CG2-CG 3.78Å; T650-Y708 HydrophobicContact CG2-CE1 3.81Å; E651-Y708 PolarHBondContact N-OH 2.8Å; E651-Y708 PolarHBondContact OE2-OH 3.34Å; N704-Y708 PolarHBondContact O-N 3.38Å; L705-Y708 PolarHBondContact O-N 3.36Å; Y708-T710 PolarHBondContact O-N 2.85Å; Y708-S711 PolarHBondContact O-N 3.31Å; Y708-S711 PolarHBondContact O-OG 3.13Å; Y708-I712 HydrophobicContact CD2-CG2 4.32Å; Y708-I712 HydrophobicContact CE1-CD1 4.1Å; Y708-I712 HydrophobicContact CE2-CG2 3.63Å; Y708-I712 PolarHBondContact O-N 2.73Å
709	L	92.2	Very high	89.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-34.1	-178.7	-66.9	-175.2	0	0	0	111.5	I674 L705 F706 S711 I712 S713 L717 F721	I674-L709 HydrophobicContact CB-CD1 4.31Å; I674-L709 HydrophobicContact CD1-CB 4.12Å; I674-L709 HydrophobicContact CG1-CB 4.18Å; I674-L709 HydrophobicContact CG1-CD1 3.77Å; I674-L709 HydrophobicContact CG1-CD2 3.97Å; I674-L709 HydrophobicContact CG1-CG 4.18Å; I674-L709 HydrophobicContact CG2-CD1 3.98Å; L705-L709 HydrophobicContact CD1-CD1 4.04Å; L705-L709 HydrophobicContact CD1-CD2 4.43Å; L705-L709 HydrophobicContact CD1-CG 4Å; L705-L709 HydrophobicContact CG-CD1 3.98Å; L705-L709 HydrophobicContact CG-CG 4.24Å; L705-L709 WeakPolarHBondContact O-CB 3.45Å; L705-L709 VanDerWaalsContact O-CG 3.31Å; L705-L709 WeakPolarHBondContact O-CG 3.19Å; L705-L709 PolarHBondContact O-N 3.4Å; F706-L709 PolarHBondContact O-N 3.01Å; L709-S711 VanDerWaalsContact C-N 3.3Å; L709-S711 PolarHBondContact O-N 3.46Å; L709-I712 HydrophobicContact CD2-CD1 3.75Å; L709-I712 HydrophobicContact CD2-CG1 4.39Å; L709-I712 WeakPolarHBondContact O-CG1 3.26Å; L709-I712 PolarHBondContact O-N 3.33Å; L709-S713 WeakPolarHBondContact O-CB 3.44Å; L709-S713 PolarHBondContact O-N 3.35Å; L709-L717 HydrophobicContact CB-CD1 3.7Å; L709-L717 VanDerWaalsContact O-CD1 3.27Å; L709-L717 WeakPolarHBondContact O-CD1 3.38Å; L709-F721 HydrophobicContact CB-CE2 4.4Å; L709-F721 HydrophobicContact CB-CZ 4.3Å; L709-F721 HydrophobicContact CD1-CE2 4.01Å; L709-F721 HydrophobicContact CD1-CZ 3.59Å; L709-F721 HydrophobicContact CG-CZ 4.38Å
710	T	91.6	Very high	89.7	Confident	59 Å²	59	60.8 Å²	60.8	36%	0.362	31%	0.31	S	S	.	.	H	α-helix	trans	-70	-26.4	175	-55.4	0	0	0	0	112.3	F706 Y708 I712	F706-T710 VanDerWaalsContact O-CB 3.25Å; F706-T710 WeakPolarHBondContact O-CB 3.38Å; F706-T710 PolarHBondContact O-N 3.36Å; F706-T710 PolarHBondContact O-OG1 2.75Å; Y708-T710 PolarHBondContact O-N 2.85Å; T710-I712 VanDerWaalsContact C-N 3.34Å
711	S	91.2	Very high	89.8	Confident	91 Å²	91	56.8 Å²	56.8	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-77.3	-20.9	177	78.5	0	0	0	0	113.3	A707 Y708 L709	A707-S711 PolarHBondContact O-N 3.46Å; Y708-S711 PolarHBondContact O-N 3.31Å; Y708-S711 PolarHBondContact O-OG 3.13Å; L709-S711 VanDerWaalsContact C-N 3.3Å; L709-S711 PolarHBondContact O-N 3.46Å
712	I	89.5	Confident	89.8	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-98.8	-14.1	-179.1	60.2	160.5	0	0	0	114.8	L654 R658 V670 Y708 L709 T710	L654-I712 HydrophobicContact CD1-CD1 3.57Å; R658-I712 PolarHBondContact NH2-O 2.86Å; V670-I712 HydrophobicContact CG1-CD1 3.91Å; V670-I712 HydrophobicContact CG1-CG1 4.13Å; Y708-I712 HydrophobicContact CD2-CG2 4.32Å; Y708-I712 HydrophobicContact CE1-CD1 4.1Å; Y708-I712 HydrophobicContact CE2-CG2 3.63Å; Y708-I712 PolarHBondContact O-N 2.73Å; L709-I712 HydrophobicContact CD2-CD1 3.75Å; L709-I712 HydrophobicContact CD2-CG1 4.39Å; L709-I712 WeakPolarHBondContact O-CG1 3.26Å; L709-I712 PolarHBondContact O-N 3.33Å; T710-I712 VanDerWaalsContact C-N 3.34Å
713	S	89.2	Confident	89.8	Confident	12 Å²	12	60.8 Å²	60.8	8%	0.084	31%	0.311	C	S	.	.			trans	-105.3	137.4	-179.2	172.5	0	0	0	0	110.4	D667 L709 S715	D667-S713 PolarHBondContact OD1-OG 2.94Å; L709-S713 WeakPolarHBondContact O-CB 3.44Å; L709-S713 PolarHBondContact O-N 3.35Å; S713-S715 PolarHBondContact OG-N 2.63Å; S713-S715 PolarHBondContact OG-O 2.69Å
714	Y	86.2	Confident	89.8	Confident	181 Å²	181	56.9 Å²	56.9	71%	0.71	29%	0.293	S	S	*	.	S	Bend	trans	-80.1	-26.3	170	-63.3	-76.7	0	0	0	111.3	D667	D667-Y714 HydrophobicContact CB-CD2 4.22Å; D667-Y714 PolarHBondContact OD1-N 3.23Å
715	S	86.5	Confident	89.8	Confident	45 Å²	45	56.2 Å²	56.2	32%	0.315	29%	0.289	S	S	.	.	S	Bend	trans	-78.8	148.2	176.3	-75.9	0	0	0	0	113.2	D667 S713 L717	D667-S715 PolarHBondContact OD1-N 3.45Å; D667-S715 VanDerWaalsContact OD2-CB 3.31Å; D667-S715 WeakPolarHBondContact OD2-CB 3.47Å; D667-S715 PolarHBondContact OD2-OG 3.22Å; S713-S715 PolarHBondContact OG-N 2.63Å; S713-S715 PolarHBondContact OG-O 2.69Å; S715-L717 PolarHBondContact O-N 3.3Å
716	S	89.2	Confident	89.9	Confident	93 Å²	93	56.9 Å²	56.9	65%	0.65	29%	0.292	S	S	*	.			trans	-67.4	123.2	174.6	175.6	0	0	0	0	111.4
717	L	88.2	Confident	89.9	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.281	C	S	.	.			trans	-94.8	0	-177.7	-59.6	-174.7	0	0	0	114.7	L671 I674 F706 L709 S715 D719 Y720 F721	L671-L717 HydrophobicContact CD2-CD2 3.54Å; I674-L717 HydrophobicContact CD1-CD1 3.63Å; I674-L717 HydrophobicContact CD1-CD2 3.72Å; I674-L717 HydrophobicContact CD1-CG 4.34Å; F706-L717 HydrophobicContact CE2-CB 3.94Å; L709-L717 HydrophobicContact CB-CD1 3.7Å; L709-L717 VanDerWaalsContact O-CD1 3.27Å; L709-L717 WeakPolarHBondContact O-CD1 3.38Å; S715-L717 PolarHBondContact O-N 3.3Å; L717-D719 VanDerWaalsContact C-N 3.3Å; L717-D719 PolarHBondContact O-N 3.31Å; L717-Y720 HydrophobicContact CD2-CD2 4.33Å; L717-Y720 PolarHBondContact O-N 2.86Å; L717-Y720 VanDerWaalsContact O-N 3.17Å; L717-F721 HydrophobicContact CB-CD2 4.21Å; L717-F721 HydrophobicContact CB-CE2 4.4Å; L717-F721 HydrophobicContact CD1-CE2 4.36Å; L717-F721 PolarHBondContact O-N 3.45Å; L717-F721 VanDerWaalsContact O-N 3.17Å
718	R	86.6	Confident	90	Very high	184 Å²	184	51.3 Å²	51.3	69%	0.694	26%	0.256	S	S	*	.	H	α-helix	trans	-56.7	-43	-172.9	-177.8	-179.3	-83.9	-176.2	-4.5	112.3	F721 T722	R718-F721 PolarHBondContact O-N 3.31Å; R718-T722 PolarHBondContact O-N 3.4Å; R718-T722 VanDerWaalsContact O-N 3.11Å; R718-T722 PolarHBondContact O-OG1 3.28Å
719	D	87.1	Confident	90	Very high	109 Å²	109	56.3 Å²	56.3	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-68.3	-38.3	-178.9	-71.9	-30.8	0	0	0	112.4	L717 F721 T722	L717-D719 VanDerWaalsContact C-N 3.3Å; L717-D719 PolarHBondContact O-N 3.31Å; D719-F721 VanDerWaalsContact C-N 3.34Å; D719-F721 PolarHBondContact O-N 2.88Å; D719-T722 WeakPolarHBondContact O-CB 3.18Å; D719-T722 PolarHBondContact O-N 3.15Å
720	Y	87.6	Confident	90	Very high	99 Å²	99	56.3 Å²	56.3	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-39.7	177.1	-67.2	-91.3	0	0	0	112.2	L671 L678 L717	L671-Y720 HydrophobicContact CD2-CE2 4.03Å; L678-Y720 WeakPolarHBondContact CD1-O 3.27Å; L717-Y720 HydrophobicContact CD2-CD2 4.33Å; L717-Y720 PolarHBondContact O-N 2.86Å; L717-Y720 VanDerWaalsContact O-N 3.17Å
721	F	91.3	Very high	90.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-84.8	-13.1	-179.4	-85	-104.3	0	0	0	114.4	I674 L678 Y702 F706 L709 L717 R718 D719 R723 S724 L725	I674-F721 HydrophobicContact CG2-CE2 4.08Å; L678-F721 HydrophobicContact CD1-CD2 3.86Å; L678-F721 HydrophobicContact CD1-CE2 3.9Å; L678-F721 HydrophobicContact CD1-CG 4.34Å; L678-F721 HydrophobicContact CD1-CZ 4.39Å; L678-F721 HydrophobicContact CD2-CD1 4.13Å; L678-F721 HydrophobicContact CD2-CE1 3.8Å; L678-F721 HydrophobicContact CD2-CE2 4.21Å; L678-F721 HydrophobicContact CD2-CZ 3.85Å; L678-F721 HydrophobicContact CG-CE2 4.47Å; Y702-F721 HydrophobicContact CD1-CD1 4.38Å; Y702-F721 HydrophobicContact CD1-CE1 4.26Å; F706-F721 HydrophobicContact CB-CD1 3.8Å; F706-F721 HydrophobicContact CB-CE1 3.59Å; F706-F721 HydrophobicContact CB-CG 4.44Å; F706-F721 HydrophobicContact CB-CZ 4.07Å; F706-F721 HydrophobicContact CD2-CB 3.84Å; F706-F721 AromaticContact CD2-CD1 3.58Å; F706-F721 HydrophobicContact CD2-CD1 3.58Å; F706-F721 AromaticContact CD2-CD2 3.41Å; F706-F721 HydrophobicContact CD2-CD2 3.41Å; F706-F721 VanDerWaalsContact CD2-CD2 3.41Å; F706-F721 AromaticContact CD2-CE1 3.87Å; F706-F721 HydrophobicContact CD2-CE1 3.87Å; F706-F721 AromaticContact CD2-CE2 3.71Å; F706-F721 HydrophobicContact CD2-CE2 3.71Å; F706-F721 AromaticContact CD2-CG 3.31Å; F706-F721 HydrophobicContact CD2-CG 3.31Å; F706-F721 AromaticContact CD2-CZ 3.91Å; F706-F721 HydrophobicContact CD2-CZ 3.91Å; F706-F721 HydrophobicContact CE2-CB 3.98Å; F706-F721 AromaticContact CE2-CD2 3.84Å; F706-F721 HydrophobicContact CE2-CD2 3.84Å; F706-F721 HydrophobicContact CE2-CE2 4.42Å; F706-F721 AromaticContact CE2-CG 3.88Å; F706-F721 HydrophobicContact CE2-CG 3.88Å; F706-F721 HydrophobicContact CG-CD1 4.06Å; F706-F721 HydrophobicContact CG-CE1 4.21Å; F706-F721 HydrophobicContact CG-CG 4.22Å; L709-F721 HydrophobicContact CB-CE2 4.4Å; L709-F721 HydrophobicContact CB-CZ 4.3Å; L709-F721 HydrophobicContact CD1-CE2 4.01Å; L709-F721 HydrophobicContact CD1-CZ 3.59Å; L709-F721 HydrophobicContact CG-CZ 4.38Å; L717-F721 HydrophobicContact CB-CD2 4.21Å; L717-F721 HydrophobicContact CB-CE2 4.4Å; L717-F721 HydrophobicContact CD1-CE2 4.36Å; L717-F721 PolarHBondContact O-N 3.45Å; L717-F721 VanDerWaalsContact O-N 3.17Å; R718-F721 PolarHBondContact O-N 3.31Å; D719-F721 VanDerWaalsContact C-N 3.34Å; D719-F721 PolarHBondContact O-N 2.88Å; F721-R723 VanDerWaalsContact C-N 3.29Å; F721-R723 PolarHBondContact O-N 3.49Å; F721-S724 PolarHBondContact O-N 3.13Å; F721-S724 VanDerWaalsContact O-N 3.08Å; F721-L725 HydrophobicContact CB-CD1 4.19Å; F721-L725 HydrophobicContact CB-CG 4.4Å; F721-L725 WeakPolarHBondContact O-CG 3.42Å; F721-L725 PolarHBondContact O-N 2.75Å
722	T	90.4	Very high	90.2	Very high	23 Å²	23	50 Å²	50	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-45.2	-174.2	-68	0	0	0	0	112	R718 D719 Q726 R749	R718-T722 PolarHBondContact O-N 3.4Å; R718-T722 VanDerWaalsContact O-N 3.11Å; R718-T722 PolarHBondContact O-OG1 3.28Å; D719-T722 WeakPolarHBondContact O-CB 3.18Å; D719-T722 PolarHBondContact O-N 3.15Å; T722-Q726 VanDerWaalsContact O-CG 3.26Å; T722-Q726 WeakPolarHBondContact O-CG 3.49Å; T722-Q726 PolarHBondContact O-N 3.1Å; T722-R749 HydrophobicContact CG2-CG 3.96Å
723	R	91.7	Very high	90.3	Very high	69 Å²	69	49.9 Å²	49.9	26%	0.26	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-49.9	177	-179.7	-179.2	168.7	96.1	-0.4	111.4	D682 F721 L725 Q726 I727 R749 L750 E754	D682-R723 IonicContact OD2-CZ 2.76Å; D682-R723 IonicContact OD2-NE 3.47Å; D682-R723 PolarHBondContact OD2-NE 3.35Å; D682-R723 IonicContact OD2-NH2 2.86Å; D682-R723 PolarHBondContact OD2-NH2 3.44Å; F721-R723 VanDerWaalsContact C-N 3.29Å; F721-R723 PolarHBondContact O-N 3.49Å; R723-L725 VanDerWaalsContact C-N 3.34Å; R723-L725 PolarHBondContact O-N 2.92Å; R723-Q726 WeakPolarHBondContact O-CB 3.5Å; R723-Q726 PolarHBondContact O-N 3.4Å; R723-Q726 VanDerWaalsContact O-N 3.15Å; R723-I727 HydrophobicContact CG-CD1 4.41Å; R723-I727 WeakPolarHBondContact O-CG1 3.37Å; R723-I727 PolarHBondContact O-N 2.92Å; R723-R749 HydrophobicContact CB-CB 4.3Å; R723-L750 HydrophobicContact CG-CD2 3.9Å; R723-E754 IonicContact CZ-OE1 3.51Å; R723-E754 VanDerWaalsContact CZ-OE1 3.22Å; R723-E754 IonicContact NH1-OE1 3.88Å; R723-E754 PolarHBondContact NH1-OE1 3.42Å; R723-E754 IonicContact NH1-OE2 3.09Å; R723-E754 IonicContact NH2-OE1 3.04Å; R723-E754 PolarHBondContact NH2-OE1 2.74Å
724	S	91.3	Very high	90.4	Very high	5 Å²	5	54.1 Å²	54.1	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-40.3	-179	-53.1	0	0	0	0	112.9	Y702 F721 I727 C728	Y702-S724 VanDerWaalsContact CE1-CB 3.5Å; F721-S724 PolarHBondContact O-N 3.13Å; F721-S724 VanDerWaalsContact O-N 3.08Å; S724-I727 WeakPolarHBondContact O-CB 3.36Å; S724-I727 PolarHBondContact O-N 3.41Å; S724-C728 PolarHBondContact O-N 3.1Å; S724-C728 PolarHBondContact O-SG 3.19Å
725	L	90.2	Very high	90.5	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-68.6	-34.2	175.9	-69	172.1	0	0	0	112	F721 R723 C728 R729	F721-L725 HydrophobicContact CB-CD1 4.19Å; F721-L725 HydrophobicContact CB-CG 4.4Å; F721-L725 WeakPolarHBondContact O-CG 3.42Å; F721-L725 PolarHBondContact O-N 2.75Å; R723-L725 VanDerWaalsContact C-N 3.34Å; R723-L725 PolarHBondContact O-N 2.92Å; L725-C728 PolarHBondContact O-N 3.45Å; L725-R729 WeakPolarHBondContact O-CB 3.48Å; L725-R729 PolarHBondContact O-N 2.88Å
726	Q	91.8	Very high	90.7	Very high	18 Å²	18	51.5 Å²	51.5	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-38.5	171.9	-73.8	168.4	7.9	0	0	112	T722 R723 R729 L730 N747 W748 L750	T722-Q726 VanDerWaalsContact O-CG 3.26Å; T722-Q726 WeakPolarHBondContact O-CG 3.49Å; T722-Q726 PolarHBondContact O-N 3.1Å; R723-Q726 WeakPolarHBondContact O-CB 3.5Å; R723-Q726 PolarHBondContact O-N 3.4Å; R723-Q726 VanDerWaalsContact O-N 3.15Å; Q726-R729 PolarHBondContact O-N 3.31Å; Q726-L730 WeakPolarHBondContact O-CG 3.17Å; Q726-L730 PolarHBondContact O-N 3.2Å; Q726-N747 PolarHBondContact NE2-O 3.07Å; Q726-W748 HydrophobicContact CB-CZ3 4.36Å; Q726-W748 HydrophobicContact CG-CE3 4.15Å; Q726-W748 HydrophobicContact CG-CZ3 4.07Å; Q726-L750 HydrophobicContact CB-CD1 3.79Å; Q726-L750 HydrophobicContact CB-CG 4.45Å
727	I	93.1	Very high	90.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-49.6	173.1	-63.1	171	0	0	0	109.8	D682 I685 R723 S724 R729 L730 L731 L750 I758	D682-I727 WeakPolarHBondContact OD1-CD1 3.43Å; I685-I727 HydrophobicContact CG2-CG2 4.06Å; R723-I727 HydrophobicContact CG-CD1 4.41Å; R723-I727 WeakPolarHBondContact O-CG1 3.37Å; R723-I727 PolarHBondContact O-N 2.92Å; S724-I727 WeakPolarHBondContact O-CB 3.36Å; S724-I727 PolarHBondContact O-N 3.41Å; I727-R729 VanDerWaalsContact C-N 3.32Å; I727-R729 PolarHBondContact O-N 2.63Å; I727-L730 PolarHBondContact O-N 3.3Å; I727-L731 HydrophobicContact CG2-CD1 4.12Å; I727-L731 WeakPolarHBondContact O-CG 3.44Å; I727-L731 PolarHBondContact O-N 3.48Å; I727-L750 HydrophobicContact CG1-CD1 4.16Å; I727-L750 HydrophobicContact CG1-CD2 4.18Å; I727-I758 HydrophobicContact CB-CD1 4.47Å; I727-I758 HydrophobicContact CG1-CD1 3.75Å; I727-I758 HydrophobicContact CG2-CD1 4.43Å; I727-I758 HydrophobicContact CG2-CG1 4.4Å; I727-I758 HydrophobicContact CG2-CG2 3.98Å
728	C	93	Very high	90.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-45.7	176.7	-64.3	0	0	0	0	111.5	E699 Y702 S724 L725 L730 L731 N732	E699-C728 HydrophobicContact CB-CB 4.05Å; E699-C728 HydrophobicContact CG-CB 4.21Å; Y702-C728 WeakPolarHBondContact CD2-SG 3.4Å; S724-C728 PolarHBondContact O-N 3.1Å; S724-C728 PolarHBondContact O-SG 3.19Å; L725-C728 PolarHBondContact O-N 3.45Å; C728-L730 PolarHBondContact O-N 3.27Å; C728-L731 CarbonylContact O-C 3.54Å; C728-L731 PolarHBondContact O-N 2.77Å; C728-N732 WeakPolarHBondContact O-CB 3.29Å; C728-N732 PolarHBondContact O-N 3.39Å; C728-N732 PolarHBondContact O-ND2 3.39Å
729	R	91.2	Very high	90.7	Very high	130 Å²	130	47.1 Å²	47.1	49%	0.491	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-40.4	179.1	-166.5	175.8	-167.6	161.7	11.9	113	L725 Q726 I727 N732 L733 F742	L725-R729 WeakPolarHBondContact O-CB 3.48Å; L725-R729 PolarHBondContact O-N 2.88Å; Q726-R729 PolarHBondContact O-N 3.31Å; I727-R729 VanDerWaalsContact C-N 3.32Å; I727-R729 PolarHBondContact O-N 2.63Å; R729-N732 CarbonylContact O-C 3.56Å; R729-N732 PolarHBondContact O-N 3.13Å; R729-L733 PolarHBondContact O-N 3.43Å; R729-F742 VanDerWaalsContact CZ-CD1 3.42Å; R729-F742 VanDerWaalsContact NE-CE1 3.31Å
730	L	93.1	Very high	90.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-41.9	175	-75.1	173.7	0	0	0	112	Q726 I727 C728 N732 L733 V739 W748 L750 V755 I758 L759	Q726-L730 WeakPolarHBondContact O-CG 3.17Å; Q726-L730 PolarHBondContact O-N 3.2Å; I727-L730 PolarHBondContact O-N 3.3Å; C728-L730 PolarHBondContact O-N 3.27Å; L730-N732 PolarHBondContact O-N 3.18Å; L730-L733 HydrophobicContact CD2-CD1 4.19Å; L730-L733 WeakPolarHBondContact O-CG 3.19Å; L730-L733 PolarHBondContact O-N 3.23Å; L730-V739 HydrophobicContact CD2-CG1 4.26Å; L730-V739 HydrophobicContact CD2-CG2 3.99Å; L730-W748 HydrophobicContact CD1-CH2 4.1Å; L730-W748 HydrophobicContact CD1-CZ2 3.99Å; L730-W748 HydrophobicContact CD2-CH2 3.73Å; L730-W748 HydrophobicContact CD2-CZ2 4.05Å; L730-W748 HydrophobicContact CG-CH2 3.87Å; L730-W748 HydrophobicContact CG-CZ2 4.24Å; L730-L750 HydrophobicContact CD1-CD1 3.52Å; L730-V755 HydrophobicContact CD1-CB 4.32Å; L730-V755 HydrophobicContact CD1-CG1 4.09Å; L730-V755 HydrophobicContact CD1-CG2 3.98Å; L730-V755 HydrophobicContact CD2-CG1 4.03Å; L730-I758 HydrophobicContact CB-CG2 3.91Å; L730-I758 HydrophobicContact CD1-CB 4.38Å; L730-I758 HydrophobicContact CD1-CD1 4.08Å; L730-I758 HydrophobicContact CD1-CG2 4.18Å; L730-L759 HydrophobicContact CB-CD2 4.43Å; L730-L759 HydrophobicContact CD2-CD2 4.47Å
731	L	93.2	Very high	90.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-23.2	175	-67.5	174.5	0	0	0	111.8	I685 F690 A695 L698 I727 C728 I758 L761 R762	I685-L731 HydrophobicContact CG2-CD1 4.37Å; F690-L731 HydrophobicContact CD1-CD1 4.42Å; F690-L731 HydrophobicContact CD2-CD1 4.11Å; F690-L731 HydrophobicContact CD2-CD2 4.18Å; F690-L731 HydrophobicContact CE2-CD1 4.18Å; F690-L731 HydrophobicContact CG-CD1 4.26Å; F690-L731 HydrophobicContact CG-CD2 4.49Å; F690-L731 HydrophobicContact CZ-CD1 4.38Å; A695-L731 HydrophobicContact CB-CB 3.77Å; A695-L731 WeakPolarHBondContact CB-O 3.23Å; L698-L731 HydrophobicContact CD2-CD1 3.72Å; I727-L731 HydrophobicContact CG2-CD1 4.12Å; I727-L731 WeakPolarHBondContact O-CG 3.44Å; I727-L731 PolarHBondContact O-N 3.48Å; C728-L731 CarbonylContact O-C 3.54Å; C728-L731 PolarHBondContact O-N 2.77Å; L731-I758 HydrophobicContact CD2-CG2 3.88Å; L731-I758 WeakPolarHBondContact CD2-O 3.41Å; L731-I758 HydrophobicContact CG-CG2 3.89Å; L731-L761 HydrophobicContact CD2-CB 4.13Å; L731-R762 HydrophobicContact CD2-CG 3.99Å; L731-R762 WeakPolarHBondContact O-CD 3.44Å; L731-R762 PolarHBondContact O-NH1 3.12Å
732	N	93.1	Very high	90.2	Very high	18 Å²	18	52.7 Å²	52.7	10%	0.096	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	15.4	179.3	-81.6	-39.3	0	0	0	115.6	R692 A695 I696 E699 C728 R729 L730	R692-N732 PolarHBondContact NH1-O 2.93Å; R692-N732 PolarHBondContact NH1-OD1 3.35Å; R692-N732 PolarHBondContact NH2-O 2.86Å; A695-N732 WeakPolarHBondContact CB-OD1 3.28Å; A695-N732 PolarHBondContact O-ND2 2.78Å; A695-N732 PolarHBondContact O-OD1 3.38Å; I696-N732 WeakPolarHBondContact CG1-OD1 3.43Å; I696-N732 PolarHBondContact N-OD1 3.26Å; E699-N732 VanDerWaalsContact CB-ND2 3.32Å; E699-N732 WeakPolarHBondContact CB-ND2 3.23Å; E699-N732 PolarHBondContact OE2-ND2 3.3Å; C728-N732 WeakPolarHBondContact O-CB 3.29Å; C728-N732 PolarHBondContact O-N 3.39Å; C728-N732 PolarHBondContact O-ND2 3.39Å; R729-N732 CarbonylContact O-C 3.56Å; R729-N732 PolarHBondContact O-N 3.13Å; L730-N732 PolarHBondContact O-N 3.18Å
733	L	92.7	Very high	89.8	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	23%	0.231	C	C	.	.			trans	-68.1	148.5	167.9	-62.3	-179.4	0	0	0	110.9	R729 L730 E738 V739 F742 L759 R762 F765	R729-L733 PolarHBondContact O-N 3.43Å; L730-L733 HydrophobicContact CD2-CD1 4.19Å; L730-L733 WeakPolarHBondContact O-CG 3.19Å; L730-L733 PolarHBondContact O-N 3.23Å; L733-E738 HydrophobicContact CD1-CB 4.34Å; L733-E738 HydrophobicContact CD2-CB 3.82Å; L733-E738 HydrophobicContact CG-CB 4.47Å; L733-V739 HydrophobicContact CD1-CB 4.28Å; L733-V739 HydrophobicContact CD1-CG2 3.31Å; L733-F742 HydrophobicContact CD2-CD2 4.12Å; L733-F742 HydrophobicContact CD2-CE2 3.65Å; L733-L759 HydrophobicContact CD1-CD2 4.15Å; L733-R762 PolarHBondContact O-NH1 3.33Å; L733-F765 HydrophobicContact CB-CZ 4.18Å; L733-F765 WeakPolarHBondContact O-CZ 3.27Å
734	D	90.3	Very high	89.2	Confident	101 Å²	101	56.9 Å²	56.9	54%	0.54	25%	0.254	S	S	.	.	S	Bend	trans	-84.9	-34.9	169.9	-72.6	-39.7	0	0	0	110.4	R692 E738	R692-D734 IonicContact CZ-OD1 3.95Å; R692-D734 IonicContact NE-OD1 3.78Å; R692-D734 PolarHBondContact NE-OD1 2.86Å; R692-D734 VanDerWaalsContact NH2-CG 3.33Å; R692-D734 IonicContact NH2-OD1 3.51Å; R692-D734 PolarHBondContact NH2-OD1 2.8Å; R692-D734 IonicContact NH2-OD2 3.63Å; D734-E738 PolarHBondContact N-OE2 3.49Å
735	R	89.1	Confident	88.8	Confident	169 Å²	169	59.1 Å²	59.1	64%	0.638	27%	0.27	S	S	*	.	S	Bend	trans	-133.2	142.8	177.8	-60.9	-177.2	-177.9	179.3	2.2	111.4	E737 E738	R735-E737 PolarHBondContact O-N 3.39Å; R735-E737 VanDerWaalsContact O-N 3.12Å; R735-E738 HydrophobicContact CB-CG 4.23Å; R735-E738 PolarHBondContact N-OE2 3.45Å; R735-E738 VanDerWaalsContact O-CB 3.32Å; R735-E738 WeakPolarHBondContact O-CB 3.24Å; R735-E738 PolarHBondContact O-N 2.76Å
736	V	89.5	Confident	88.3	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.7	180	-179.4	0	0	0	0	112.3	E738 V739 L759 F765 E769 I770 L773	V736-E738 VanDerWaalsContact C-N 3.29Å; V736-E738 PolarHBondContact O-N 3.21Å; V736-V739 WeakPolarHBondContact O-CG2 3.16Å; V736-L759 HydrophobicContact CG1-CD1 4.37Å; V736-F765 HydrophobicContact CG2-CB 3.74Å; V736-F765 HydrophobicContact CG2-CD1 3.7Å; V736-F765 HydrophobicContact CG2-CD2 3.71Å; V736-F765 HydrophobicContact CG2-CE1 4.18Å; V736-F765 HydrophobicContact CG2-CE2 4.2Å; V736-F765 HydrophobicContact CG2-CG 3.44Å; V736-F765 VanDerWaalsContact CG2-CG 3.44Å; V736-F765 HydrophobicContact CG2-CZ 4.4Å; V736-E769 HydrophobicContact CB-CB 4.36Å; V736-E769 HydrophobicContact CG1-CB 4.38Å; V736-E769 HydrophobicContact CG2-CB 4.4Å; V736-I770 HydrophobicContact CG1-CG1 3.97Å; V736-I770 HydrophobicContact CG2-CG1 4.3Å; V736-L773 HydrophobicContact CG1-CD1 3.54Å; V736-L773 HydrophobicContact CG1-CD2 4.05Å; V736-L773 HydrophobicContact CG1-CG 3.84Å; V736-L773 WeakPolarHBondContact O-CD2 3.28Å
737	E	87.2	Confident	87.9	Confident	139 Å²	139	66.6 Å²	66.6	65%	0.65	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.8	-26.7	178.9	-64.2	165.2	175.7	0	0	113.3	R735 V739 H740	R735-E737 PolarHBondContact O-N 3.39Å; R735-E737 VanDerWaalsContact O-N 3.12Å; E737-V739 PolarHBondContact O-N 3.42Å; E737-V739 VanDerWaalsContact O-N 3.07Å; E737-H740 PolarHBondContact O-N 2.83Å; E737-H740 VanDerWaalsContact O-N 3.14Å
738	E	88.9	Confident	87.7	Confident	49 Å²	49	68.5 Å²	68.5	23%	0.229	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-64.9	-15.8	-176.8	-67.8	169.2	-179.4	0	0	113.1	L733 D734 R735 V736 H740 Y741	L733-E738 HydrophobicContact CD1-CB 4.34Å; L733-E738 HydrophobicContact CD2-CB 3.82Å; L733-E738 HydrophobicContact CG-CB 4.47Å; D734-E738 PolarHBondContact N-OE2 3.49Å; R735-E738 HydrophobicContact CB-CG 4.23Å; R735-E738 PolarHBondContact N-OE2 3.45Å; R735-E738 VanDerWaalsContact O-CB 3.32Å; R735-E738 WeakPolarHBondContact O-CB 3.24Å; R735-E738 PolarHBondContact O-N 2.76Å; V736-E738 VanDerWaalsContact C-N 3.29Å; V736-E738 PolarHBondContact O-N 3.21Å; E738-H740 PolarHBondContact O-N 3.17Å; E738-H740 VanDerWaalsContact O-N 3.11Å; E738-Y741 HydrophobicContact CB-CD2 4.04Å; E738-Y741 HydrophobicContact CB-CE2 4.39Å; E738-Y741 HydrophobicContact CG-CD2 4.32Å; E738-Y741 HydrophobicContact CG-CE2 4.21Å; E738-Y741 WeakPolarHBondContact O-CB 3.16Å; E738-Y741 WeakPolarHBondContact O-CD2 3.35Å; E738-Y741 PolarHBondContact O-N 2.9Å
739	V	89.9	Confident	87.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-51.6	-34.3	172	178.2	0	0	0	0	111.4	L730 L733 V736 E737 Y741 F742 W743 V755 L759 L773 L775	L730-V739 HydrophobicContact CD2-CG1 4.26Å; L730-V739 HydrophobicContact CD2-CG2 3.99Å; L733-V739 HydrophobicContact CD1-CB 4.28Å; L733-V739 HydrophobicContact CD1-CG2 3.31Å; V736-V739 WeakPolarHBondContact O-CG2 3.16Å; E737-V739 PolarHBondContact O-N 3.42Å; E737-V739 VanDerWaalsContact O-N 3.07Å; V739-Y741 PolarHBondContact O-N 3.4Å; V739-F742 PolarHBondContact O-N 2.87Å; V739-W743 WeakPolarHBondContact O-CB 3.23Å; V739-W743 PolarHBondContact O-N 3.29Å; V739-V755 HydrophobicContact CG1-CG1 3.86Å; V739-L759 HydrophobicContact CG2-CD1 3.66Å; V739-L759 HydrophobicContact CG2-CD2 4.13Å; V739-L759 HydrophobicContact CG2-CG 4.49Å; V739-L773 HydrophobicContact CG2-CD1 4.41Å; V739-L775 HydrophobicContact CG1-CD1 4.26Å; V739-L775 HydrophobicContact CG1-CD2 3.72Å
740	H	86.6	Confident	87.3	Confident	92 Å²	92	69.6 Å²	69.6	43%	0.426	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-24.3	-178	-70.9	34.6	0	0	0	112.9	E737 E738 F742	E737-H740 PolarHBondContact O-N 2.83Å; E737-H740 VanDerWaalsContact O-N 3.14Å; E738-H740 PolarHBondContact O-N 3.17Å; E738-H740 VanDerWaalsContact O-N 3.11Å; H740-F742 VanDerWaalsContact C-N 3.27Å; H740-F742 PolarHBondContact O-N 3.16Å
741	Y	85	Confident	87.1	Confident	189 Å²	189	73.2 Å²	73.2	74%	0.741	35%	0.354	S	S	*	.	H	α-helix	trans	-70	-24.3	174.8	-63.6	-63.5	0	0	0	112.9	E738 V739	E738-Y741 HydrophobicContact CB-CD2 4.04Å; E738-Y741 HydrophobicContact CB-CE2 4.39Å; E738-Y741 HydrophobicContact CG-CD2 4.32Å; E738-Y741 HydrophobicContact CG-CE2 4.21Å; E738-Y741 WeakPolarHBondContact O-CB 3.16Å; E738-Y741 WeakPolarHBondContact O-CD2 3.35Å; E738-Y741 PolarHBondContact O-N 2.9Å; V739-Y741 PolarHBondContact O-N 3.4Å
742	F	83	Confident	86.9	Confident	44 Å²	44	74.2 Å²	74.2	19%	0.193	36%	0.362	C	S	.	.	H	α-helix	trans	-110.5	-27.4	-174	-52.5	-59.9	0	0	0	113.7	R729 L733 V739 H740 N744 S745 W748	R729-F742 VanDerWaalsContact CZ-CD1 3.42Å; R729-F742 VanDerWaalsContact NE-CE1 3.31Å; L733-F742 HydrophobicContact CD2-CD2 4.12Å; L733-F742 HydrophobicContact CD2-CE2 3.65Å; V739-F742 PolarHBondContact O-N 2.87Å; H740-F742 VanDerWaalsContact C-N 3.27Å; H740-F742 PolarHBondContact O-N 3.16Å; F742-N744 PolarHBondContact O-N 2.75Å; F742-N744 VanDerWaalsContact O-N 3.17Å; F742-S745 VanDerWaalsContact O-CB 3.26Å; F742-S745 WeakPolarHBondContact O-CB 3.29Å; F742-S745 PolarHBondContact O-N 3.34Å; F742-S745 PolarHBondContact O-OG 2.74Å; F742-W748 HydrophobicContact CB-CE3 4.28Å; F742-W748 HydrophobicContact CB-CH2 4.19Å; F742-W748 HydrophobicContact CB-CZ3 3.64Å
743	W	81.3	Confident	86.7	Confident	40 Å²	40	80.2 Å²	80.2	15%	0.152	39%	0.39	C	S	.	.	H	α-helix	trans	-52.8	-38	-176.1	-179.5	-107.6	0	0	0	113.5	V739 S745 W748 A752 V755 L775 Q776	V739-W743 WeakPolarHBondContact O-CB 3.23Å; V739-W743 PolarHBondContact O-N 3.29Å; W743-S745 VanDerWaalsContact C-N 3.31Å; W743-S745 PolarHBondContact O-N 2.79Å; W743-W748 AromaticContact CE3-CD1 3.93Å; W743-W748 AromaticContact CE3-CE2 3.95Å; W743-W748 HydrophobicContact CE3-CZ2 4.39Å; W743-W748 AromaticContact CE3-NE1 3.36Å; W743-W748 AromaticContact CZ3-CD1 3.86Å; W743-W748 AromaticContact CZ3-NE1 3.3Å; W743-W748 VanDerWaalsContact CZ3-NE1 3.3Å; W743-A752 HydrophobicContact CH2-CB 3.6Å; W743-A752 HydrophobicContact CZ2-CB 4.04Å; W743-A752 HydrophobicContact CZ3-CB 4.36Å; W743-V755 HydrophobicContact CE3-CG2 4.17Å; W743-V755 HydrophobicContact CZ3-CG2 3.74Å; W743-L775 HydrophobicContact CB-CD2 4.25Å; W743-L775 HydrophobicContact CD2-CB 4.09Å; W743-L775 HydrophobicContact CD2-CD2 3.84Å; W743-L775 HydrophobicContact CD2-CG 4.37Å; W743-L775 HydrophobicContact CE3-CB 4.39Å; W743-L775 HydrophobicContact CE3-CD1 4.25Å; W743-L775 HydrophobicContact CE3-CD2 4.16Å; W743-L775 HydrophobicContact CE3-CG 4.48Å; W743-L775 HydrophobicContact CG-CD2 3.85Å; W743-L775 HydrophobicContact CH2-CB 4.27Å; W743-L775 HydrophobicContact CZ2-CB 3.89Å; W743-L775 HydrophobicContact CZ3-CB 4.48Å; W743-L775 HydrophobicContact CZ3-CD1 4.36Å; W743-Q776 PolarHBondContact NE1-O 3.36Å
744	N	79.5	Confident	86.6	Confident	139 Å²	139	82.2 Å²	82.2	74%	0.743	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	12.3	-178.4	-65.2	-25	0	0	0	113.9	F742	F742-N744 PolarHBondContact O-N 2.75Å; F742-N744 VanDerWaalsContact O-N 3.17Å
745	S	82.1	Confident	86.7	Confident	53 Å²	53	77.4 Å²	77.4	37%	0.371	37%	0.373	S	S	.	.			trans	-73.4	140	177.1	64	0	0	0	0	111.2	F742 W743 N747 W748	F742-S745 VanDerWaalsContact O-CB 3.26Å; F742-S745 WeakPolarHBondContact O-CB 3.29Å; F742-S745 PolarHBondContact O-N 3.34Å; F742-S745 PolarHBondContact O-OG 2.74Å; W743-S745 VanDerWaalsContact C-N 3.31Å; W743-S745 PolarHBondContact O-N 2.79Å; S745-N747 PolarHBondContact O-N 2.77Å; S745-W748 WeakPolarHBondContact O-CB 3.3Å; S745-W748 PolarHBondContact O-N 3.33Å
746	S	80.3	Confident	86.8	Confident	118 Å²	118	73 Å²	73	83%	0.825	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.5	-177.2	59	0	0	0	0	114.4
747	N	84.2	Confident	86.9	Confident	108 Å²	108	74.8 Å²	74.8	58%	0.578	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	10.4	-172.5	-59.8	-1.7	0	0	0	112.4	Q726 S745 R749	Q726-N747 PolarHBondContact NE2-O 3.07Å; S745-N747 PolarHBondContact O-N 2.77Å; N747-R749 PolarHBondContact O-N 3.25Å
748	W	87.6	Confident	87.3	Confident	41 Å²	41	68.2 Å²	68.2	16%	0.155	34%	0.338	C	S	.	.			trans	-66.1	126.9	-178.7	-161.5	-102.9	0	0	0	111.7	Q726 L730 F742 W743 S745 L750 V755	Q726-W748 HydrophobicContact CB-CZ3 4.36Å; Q726-W748 HydrophobicContact CG-CE3 4.15Å; Q726-W748 HydrophobicContact CG-CZ3 4.07Å; L730-W748 HydrophobicContact CD1-CH2 4.1Å; L730-W748 HydrophobicContact CD1-CZ2 3.99Å; L730-W748 HydrophobicContact CD2-CH2 3.73Å; L730-W748 HydrophobicContact CD2-CZ2 4.05Å; L730-W748 HydrophobicContact CG-CH2 3.87Å; L730-W748 HydrophobicContact CG-CZ2 4.24Å; F742-W748 HydrophobicContact CB-CE3 4.28Å; F742-W748 HydrophobicContact CB-CH2 4.19Å; F742-W748 HydrophobicContact CB-CZ3 3.64Å; W743-W748 AromaticContact CE3-CD1 3.93Å; W743-W748 AromaticContact CE3-CE2 3.95Å; W743-W748 HydrophobicContact CE3-CZ2 4.39Å; W743-W748 AromaticContact CE3-NE1 3.36Å; W743-W748 AromaticContact CZ3-CD1 3.86Å; W743-W748 AromaticContact CZ3-NE1 3.3Å; W743-W748 VanDerWaalsContact CZ3-NE1 3.3Å; S745-W748 WeakPolarHBondContact O-CB 3.3Å; S745-W748 PolarHBondContact O-N 3.33Å; W748-L750 HydrophobicContact CZ2-CB 4.43Å; W748-L750 HydrophobicContact CZ2-CD1 4.27Å; W748-L750 PolarHBondContact NE1-O 3.14Å; W748-V755 HydrophobicContact CZ2-CG2 3.71Å
749	R	87	Confident	87.5	Confident	147 Å²	147	65.9 Å²	65.9	56%	0.555	33%	0.327	S	S	*	.			trans	-113.1	-2.5	-174.3	-63.2	-69	-171.5	158.4	2.7	113.7	T722 R723 N747	T722-R749 HydrophobicContact CG2-CG 3.96Å; R723-R749 HydrophobicContact CB-CB 4.3Å; N747-R749 PolarHBondContact O-N 3.25Å
750	L	89	Confident	87.6	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.031	35%	0.35	C	S	.	.			trans	-105	133.4	-174.5	-62.6	169.9	0	0	0	110.9	R723 Q726 I727 L730 W748 E754 V755 I758	R723-L750 HydrophobicContact CG-CD2 3.9Å; Q726-L750 HydrophobicContact CB-CD1 3.79Å; Q726-L750 HydrophobicContact CB-CG 4.45Å; I727-L750 HydrophobicContact CG1-CD1 4.16Å; I727-L750 HydrophobicContact CG1-CD2 4.18Å; L730-L750 HydrophobicContact CD1-CD1 3.52Å; W748-L750 HydrophobicContact CZ2-CB 4.43Å; W748-L750 HydrophobicContact CZ2-CD1 4.27Å; W748-L750 PolarHBondContact NE1-O 3.14Å; L750-E754 HydrophobicContact CB-CB 4.49Å; L750-E754 HydrophobicContact CD2-CB 4.39Å; L750-V755 HydrophobicContact CB-CG2 3.9Å; L750-I758 HydrophobicContact CD1-CD1 3.78Å; L750-I758 HydrophobicContact CD2-CD1 3.99Å; L750-I758 HydrophobicContact CG-CD1 4.48Å
751	T	90	Very high	88	Confident	76 Å²	76	65.6 Å²	65.6	47%	0.466	33%	0.334	S	S	.	.			trans	-71.7	160	173.8	63.7	0	0	0	0	111.7	H753 E754 V755	T751-H753 PolarHBondContact O-N 2.88Å; T751-H753 VanDerWaalsContact O-N 3.12Å; T751-E754 WeakPolarHBondContact CB-OE2 3.25Å; T751-E754 WeakPolarHBondContact CG2-OE2 3.31Å; T751-E754 PolarHBondContact N-OE2 2.74Å; T751-E754 PolarHBondContact O-N 2.9Å; T751-E754 VanDerWaalsContact O-N 3.09Å; T751-E754 VanDerWaalsContact OG1-CG 3.22Å; T751-E754 WeakPolarHBondContact OG1-CG 3.49Å; T751-E754 PolarHBondContact OG1-N 3.5Å; T751-E754 PolarHBondContact OG1-OE2 2.74Å; T751-V755 WeakPolarHBondContact O-CG2 3.19Å; T751-V755 PolarHBondContact O-N 3.2Å
752	A	88.2	Confident	88.4	Confident	21 Å²	21	56.9 Å²	56.9	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-26.4	179.2	0	0	0	0	0	112.6	W743 R756 L775	W743-A752 HydrophobicContact CH2-CB 3.6Å; W743-A752 HydrophobicContact CZ2-CB 4.04Å; W743-A752 HydrophobicContact CZ3-CB 4.36Å; A752-R756 WeakPolarHBondContact O-CG 3.29Å; A752-R756 PolarHBondContact O-N 2.81Å; A752-R756 PolarHBondContact O-NH1 2.91Å; A752-L775 HydrophobicContact CB-CB 3.97Å
753	H	89.4	Confident	88.6	Confident	145 Å²	145	61.8 Å²	61.8	67%	0.671	32%	0.317	S	S	*	.	H	α-helix	trans	-73.9	-47	174.5	-174.9	61.4	0	0	0	111.3	T751 V755 R756 S757	T751-H753 PolarHBondContact O-N 2.88Å; T751-H753 VanDerWaalsContact O-N 3.12Å; H753-V755 VanDerWaalsContact C-N 3.33Å; H753-V755 PolarHBondContact O-N 2.79Å; H753-R756 PolarHBondContact O-N 3.26Å; H753-S757 PolarHBondContact O-N 2.73Å
754	E	91.6	Very high	89	Confident	47 Å²	47	64.2 Å²	64.2	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-42.2	176.5	-71.2	167.7	130.8	0	0	111.6	R723 L750 T751 R756 S757 I758	R723-E754 IonicContact CZ-OE1 3.51Å; R723-E754 VanDerWaalsContact CZ-OE1 3.22Å; R723-E754 IonicContact NH1-OE1 3.88Å; R723-E754 PolarHBondContact NH1-OE1 3.42Å; R723-E754 IonicContact NH1-OE2 3.09Å; R723-E754 IonicContact NH2-OE1 3.04Å; R723-E754 PolarHBondContact NH2-OE1 2.74Å; L750-E754 HydrophobicContact CB-CB 4.49Å; L750-E754 HydrophobicContact CD2-CB 4.39Å; T751-E754 WeakPolarHBondContact CB-OE2 3.25Å; T751-E754 WeakPolarHBondContact CG2-OE2 3.31Å; T751-E754 PolarHBondContact N-OE2 2.74Å; T751-E754 PolarHBondContact O-N 2.9Å; T751-E754 VanDerWaalsContact O-N 3.09Å; T751-E754 VanDerWaalsContact OG1-CG 3.22Å; T751-E754 WeakPolarHBondContact OG1-CG 3.49Å; T751-E754 PolarHBondContact OG1-N 3.5Å; T751-E754 PolarHBondContact OG1-OE2 2.74Å; E754-R756 PolarHBondContact O-N 2.74Å; E754-S757 WeakPolarHBondContact O-CB 3.21Å; E754-S757 PolarHBondContact O-N 2.73Å; E754-S757 VanDerWaalsContact O-N 3.15Å; E754-I758 HydrophobicContact CB-CD1 4.47Å; E754-I758 WeakPolarHBondContact O-CB 3.24Å; E754-I758 WeakPolarHBondContact O-CD1 3.33Å; E754-I758 VanDerWaalsContact O-CG1 3.22Å; E754-I758 WeakPolarHBondContact O-CG1 3.36Å; E754-I758 PolarHBondContact O-N 2.76Å
755	V	91.7	Very high	89.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-47.5	176.4	174	0	0	0	0	111.4	L730 V739 W743 W748 L750 T751 H753 S757 I758 L759 L775	L730-V755 HydrophobicContact CD1-CB 4.32Å; L730-V755 HydrophobicContact CD1-CG1 4.09Å; L730-V755 HydrophobicContact CD1-CG2 3.98Å; L730-V755 HydrophobicContact CD2-CG1 4.03Å; V739-V755 HydrophobicContact CG1-CG1 3.86Å; W743-V755 HydrophobicContact CE3-CG2 4.17Å; W743-V755 HydrophobicContact CZ3-CG2 3.74Å; W748-V755 HydrophobicContact CZ2-CG2 3.71Å; L750-V755 HydrophobicContact CB-CG2 3.9Å; T751-V755 WeakPolarHBondContact O-CG2 3.19Å; T751-V755 PolarHBondContact O-N 3.2Å; H753-V755 VanDerWaalsContact C-N 3.33Å; H753-V755 PolarHBondContact O-N 2.79Å; V755-S757 VanDerWaalsContact C-N 3.33Å; V755-S757 PolarHBondContact O-N 3.4Å; V755-I758 PolarHBondContact O-N 2.74Å; V755-L759 HydrophobicContact CG1-CD1 3.74Å; V755-L759 HydrophobicContact CG1-CG 4.38Å; V755-L759 WeakPolarHBondContact O-CB 3.38Å; V755-L759 VanDerWaalsContact O-CG 3.23Å; V755-L759 WeakPolarHBondContact O-CG 3.23Å; V755-L759 PolarHBondContact O-N 3.24Å; V755-L775 HydrophobicContact CB-CD1 4.02Å; V755-L775 HydrophobicContact CG1-CD1 3.67Å
756	R	91.1	Very high	89.9	Confident	76 Å²	76	57.8 Å²	57.8	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-38.7	177.2	-68.5	179.8	-169.9	100.7	-4.6	111.9	A752 H753 E754 S760 I770 L773	A752-R756 WeakPolarHBondContact O-CG 3.29Å; A752-R756 PolarHBondContact O-N 2.81Å; A752-R756 PolarHBondContact O-NH1 2.91Å; H753-R756 PolarHBondContact O-N 3.26Å; E754-R756 PolarHBondContact O-N 2.74Å; R756-S760 WeakPolarHBondContact O-CB 3.46Å; R756-S760 PolarHBondContact O-N 2.78Å; R756-I770 HydrophobicContact CB-CG2 3.85Å; R756-I770 HydrophobicContact CG-CG2 3.96Å; R756-L773 PolarHBondContact NH2-O 3.24Å
757	S	92.2	Very high	90.3	Very high	41 Å²	41	56 Å²	56	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-51.2	174.6	-172.8	0	0	0	0	110.8	Q686 H753 E754 V755 L759 S760 L761	Q686-S757 PolarHBondContact OE1-OG 3.23Å; H753-S757 PolarHBondContact O-N 2.73Å; E754-S757 WeakPolarHBondContact O-CB 3.21Å; E754-S757 PolarHBondContact O-N 2.73Å; E754-S757 VanDerWaalsContact O-N 3.15Å; V755-S757 VanDerWaalsContact C-N 3.33Å; V755-S757 PolarHBondContact O-N 3.4Å; S757-L759 PolarHBondContact O-N 2.78Å; S757-S760 WeakPolarHBondContact O-CB 3.2Å; S757-S760 PolarHBondContact O-N 2.73Å; S757-S760 VanDerWaalsContact O-N 3.12Å; S757-S760 PolarHBondContact O-OG 3.32Å; S757-L761 WeakPolarHBondContact O-CG 3.36Å; S757-L761 PolarHBondContact O-N 2.9Å
758	I	93.8	Very high	90.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-45.3	-179.2	-66.6	156.3	0	0	0	111.2	I727 L730 L731 L750 E754 V755 S760 L761	I727-I758 HydrophobicContact CB-CD1 4.47Å; I727-I758 HydrophobicContact CG1-CD1 3.75Å; I727-I758 HydrophobicContact CG2-CD1 4.43Å; I727-I758 HydrophobicContact CG2-CG1 4.4Å; I727-I758 HydrophobicContact CG2-CG2 3.98Å; L730-I758 HydrophobicContact CB-CG2 3.91Å; L730-I758 HydrophobicContact CD1-CB 4.38Å; L730-I758 HydrophobicContact CD1-CD1 4.08Å; L730-I758 HydrophobicContact CD1-CG2 4.18Å; L731-I758 HydrophobicContact CD2-CG2 3.88Å; L731-I758 WeakPolarHBondContact CD2-O 3.41Å; L731-I758 HydrophobicContact CG-CG2 3.89Å; L750-I758 HydrophobicContact CD1-CD1 3.78Å; L750-I758 HydrophobicContact CD2-CD1 3.99Å; L750-I758 HydrophobicContact CG-CD1 4.48Å; E754-I758 HydrophobicContact CB-CD1 4.47Å; E754-I758 WeakPolarHBondContact O-CB 3.24Å; E754-I758 WeakPolarHBondContact O-CD1 3.33Å; E754-I758 VanDerWaalsContact O-CG1 3.22Å; E754-I758 WeakPolarHBondContact O-CG1 3.36Å; E754-I758 PolarHBondContact O-N 2.76Å; V755-I758 PolarHBondContact O-N 2.74Å; I758-S760 PolarHBondContact O-N 2.76Å; I758-L761 VanDerWaalsContact O-CB 3.24Å; I758-L761 WeakPolarHBondContact O-CB 3.46Å; I758-L761 WeakPolarHBondContact O-CG 3.25Å; I758-L761 PolarHBondContact O-N 3.41Å
759	L	93.2	Very high	90.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-32.4	177.2	-67.8	166.2	0	0	0	112	L730 L733 V736 V739 V755 S757 L761 R762 F765 I770 L773	L730-L759 HydrophobicContact CB-CD2 4.43Å; L730-L759 HydrophobicContact CD2-CD2 4.47Å; L733-L759 HydrophobicContact CD1-CD2 4.15Å; V736-L759 HydrophobicContact CG1-CD1 4.37Å; V739-L759 HydrophobicContact CG2-CD1 3.66Å; V739-L759 HydrophobicContact CG2-CD2 4.13Å; V739-L759 HydrophobicContact CG2-CG 4.49Å; V755-L759 HydrophobicContact CG1-CD1 3.74Å; V755-L759 HydrophobicContact CG1-CG 4.38Å; V755-L759 WeakPolarHBondContact O-CB 3.38Å; V755-L759 VanDerWaalsContact O-CG 3.23Å; V755-L759 WeakPolarHBondContact O-CG 3.23Å; V755-L759 PolarHBondContact O-N 3.24Å; S757-L759 PolarHBondContact O-N 2.78Å; L759-L761 PolarHBondContact O-N 3.42Å; L759-R762 PolarHBondContact O-N 2.98Å; L759-R762 VanDerWaalsContact O-N 3.16Å; L759-F765 HydrophobicContact CB-CD2 4.35Å; L759-F765 HydrophobicContact CD2-CD2 4.07Å; L759-F765 HydrophobicContact CD2-CE2 3.77Å; L759-I770 HydrophobicContact CB-CD1 3.99Å; L759-I770 HydrophobicContact CB-CG1 4.12Å; L759-I770 HydrophobicContact CB-CG2 4.3Å; L759-L773 HydrophobicContact CD1-CD1 3.6Å
760	S	93.1	Very high	90.7	Very high	68 Å²	68	56 Å²	56	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-13.5	176.8	77.9	0	0	0	0	113.8	R756 S757 I758 R762	R756-S760 WeakPolarHBondContact O-CB 3.46Å; R756-S760 PolarHBondContact O-N 2.78Å; S757-S760 WeakPolarHBondContact O-CB 3.2Å; S757-S760 PolarHBondContact O-N 2.73Å; S757-S760 VanDerWaalsContact O-N 3.12Å; S757-S760 PolarHBondContact O-OG 3.32Å; I758-S760 PolarHBondContact O-N 2.76Å; S760-R762 VanDerWaalsContact C-N 3.28Å
761	L	93.6	Very high	90.6	Very high	19 Å²	19	65.1 Å²	65.1	10%	0.099	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.4	173.8	-49.2	174.3	0	0	0	111.8	I685 K688 S689 F690 L731 S757 I758 L759	I685-L761 HydrophobicContact CG2-CD1 4.1Å; I685-L761 WeakPolarHBondContact O-CD1 3.29Å; K688-L761 WeakPolarHBondContact O-CD2 3.36Å; S689-L761 CarbonylContact C-O 3.57Å; S689-L761 WeakPolarHBondContact CA-O 3.45Å; F690-L761 HydrophobicContact CD2-CB 3.89Å; F690-L761 HydrophobicContact CE2-CB 4.33Å; F690-L761 HydrophobicContact CE2-CD1 4.31Å; F690-L761 PolarHBondContact N-O 3.25Å; L731-L761 HydrophobicContact CD2-CB 4.13Å; S757-L761 WeakPolarHBondContact O-CG 3.36Å; S757-L761 PolarHBondContact O-N 2.9Å; I758-L761 VanDerWaalsContact O-CB 3.24Å; I758-L761 WeakPolarHBondContact O-CB 3.46Å; I758-L761 WeakPolarHBondContact O-CG 3.25Å; I758-L761 PolarHBondContact O-N 3.41Å; L759-L761 PolarHBondContact O-N 3.42Å
762	R	94.1	Very high	90.5	Very high	5 Å²	5	65 Å²	65	2%	0.019	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-80.6	119.8	172.5	-83.5	-71.1	-62.9	-94.9	-7	110.2	F690 L731 L733 L759 S760 D764 F765	F690-R762 WeakPolarHBondContact O-CA 3.46Å; L731-R762 HydrophobicContact CD2-CG 3.99Å; L731-R762 WeakPolarHBondContact O-CD 3.44Å; L731-R762 PolarHBondContact O-NH1 3.12Å; L733-R762 PolarHBondContact O-NH1 3.33Å; L759-R762 PolarHBondContact O-N 2.98Å; L759-R762 VanDerWaalsContact O-N 3.16Å; S760-R762 VanDerWaalsContact C-N 3.28Å; R762-D764 VanDerWaalsContact C-N 3.34Å; R762-D764 IonicContact CZ-OD1 2.57Å; R762-D764 IonicContact CZ-OD2 3.33Å; R762-D764 IonicContact NE-OD1 2.75Å; R762-D764 PolarHBondContact NE-OD1 3.34Å; R762-D764 IonicContact NE-OD2 2.76Å; R762-D764 IonicContact NH2-OD1 3.91Å; R762-D764 PolarHBondContact NH2-OD1 3.31Å; R762-D764 VanDerWaalsContact NH2-OD1 3.09Å; R762-D764 IonicContact NH2-OD2 2.6Å; R762-D764 PolarHBondContact NH2-OD2 2.82Å; R762-D764 PolarHBondContact O-N 2.83Å; R762-F765 HydrophobicContact CB-CB 4.25Å; R762-F765 HydrophobicContact CB-CD1 4.47Å; R762-F765 HydrophobicContact CB-CD2 3.44Å; R762-F765 VanDerWaalsContact CB-CD2 3.44Å; R762-F765 HydrophobicContact CB-CE2 3.84Å; R762-F765 HydrophobicContact CB-CG 3.8Å; R762-F765 HydrophobicContact CG-CD2 4.01Å; R762-F765 HydrophobicContact CG-CE2 3.87Å; R762-F765 HydrophobicContact CG-CZ 4.43Å; R762-F765 PolarHBondContact O-N 3.19Å
763	R	88	Confident	90.3	Very high	148 Å²	148	64.5 Å²	64.5	56%	0.558	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.5	-172.6	-68.1	-173.7	177.2	-179.4	11.8	114.3	D627 S689 F690 F765	D627-R763 VanDerWaalsContact CG-CZ 3.4Å; D627-R763 IonicContact OD1-CZ 3.6Å; D627-R763 IonicContact OD1-NE 3.9Å; D627-R763 IonicContact OD1-NH1 3.31Å; D627-R763 PolarHBondContact OD1-NH1 3.07Å; D627-R763 IonicContact OD2-CZ 3.2Å; D627-R763 IonicContact OD2-NH1 2.6Å; D627-R763 PolarHBondContact OD2-NH1 3.3Å; D627-R763 IonicContact OD2-NH2 3.38Å; D627-R763 PolarHBondContact OD2-NH2 3.13Å; S689-R763 PolarHBondContact OG-NE 3.31Å; S689-R763 PolarHBondContact OG-NH2 3.43Å; F690-R763 PolarHBondContact O-N 3.36Å; R763-F765 VanDerWaalsContact C-N 3.33Å
764	D	89.3	Confident	90	Very high	91 Å²	91	66.1 Å²	66.1	49%	0.487	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.8	-178.6	59.1	-55.1	0	0	0	112.9	R762 A766	R762-D764 VanDerWaalsContact C-N 3.34Å; R762-D764 IonicContact CZ-OD1 2.57Å; R762-D764 IonicContact CZ-OD2 3.33Å; R762-D764 IonicContact NE-OD1 2.75Å; R762-D764 PolarHBondContact NE-OD1 3.34Å; R762-D764 IonicContact NE-OD2 2.76Å; R762-D764 IonicContact NH2-OD1 3.91Å; R762-D764 PolarHBondContact NH2-OD1 3.31Å; R762-D764 VanDerWaalsContact NH2-OD1 3.09Å; R762-D764 IonicContact NH2-OD2 2.6Å; R762-D764 PolarHBondContact NH2-OD2 2.82Å; R762-D764 PolarHBondContact O-N 2.83Å; D764-A766 PolarHBondContact O-N 3.16Å
765	F	91.4	Very high	89.5	Confident	14 Å²	14	64.4 Å²	64.4	6%	0.061	32%	0.318	C	S	.	.	S	Bend	trans	-79.9	119.4	176.3	-68.1	-11.4	0	0	0	111.1	L733 V736 L759 R762 R763 V767 I770	L733-F765 HydrophobicContact CB-CZ 4.18Å; L733-F765 WeakPolarHBondContact O-CZ 3.27Å; V736-F765 HydrophobicContact CG2-CB 3.74Å; V736-F765 HydrophobicContact CG2-CD1 3.7Å; V736-F765 HydrophobicContact CG2-CD2 3.71Å; V736-F765 HydrophobicContact CG2-CE1 4.18Å; V736-F765 HydrophobicContact CG2-CE2 4.2Å; V736-F765 HydrophobicContact CG2-CG 3.44Å; V736-F765 VanDerWaalsContact CG2-CG 3.44Å; V736-F765 HydrophobicContact CG2-CZ 4.4Å; L759-F765 HydrophobicContact CB-CD2 4.35Å; L759-F765 HydrophobicContact CD2-CD2 4.07Å; L759-F765 HydrophobicContact CD2-CE2 3.77Å; R762-F765 HydrophobicContact CB-CB 4.25Å; R762-F765 HydrophobicContact CB-CD1 4.47Å; R762-F765 HydrophobicContact CB-CD2 3.44Å; R762-F765 VanDerWaalsContact CB-CD2 3.44Å; R762-F765 HydrophobicContact CB-CE2 3.84Å; R762-F765 HydrophobicContact CB-CG 3.8Å; R762-F765 HydrophobicContact CG-CD2 4.01Å; R762-F765 HydrophobicContact CG-CE2 3.87Å; R762-F765 HydrophobicContact CG-CZ 4.43Å; R762-F765 PolarHBondContact O-N 3.19Å; R763-F765 VanDerWaalsContact C-N 3.33Å; F765-V767 PolarHBondContact O-N 3.3Å; F765-I770 HydrophobicContact CB-CD1 4.01Å; F765-I770 HydrophobicContact CB-CG1 4.42Å
766	A	89.1	Confident	88.3	Confident	42 Å²	42	75.6 Å²	75.6	35%	0.347	37%	0.37	S	S	.	.			trans	-68.8	127.5	179.1	0	0	0	0	0	110.5	D764 K768 E769 I770	D764-A766 PolarHBondContact O-N 3.16Å; A766-K768 PolarHBondContact O-N 3.29Å; A766-E769 HydrophobicContact CB-CG 4.09Å; A766-E769 WeakPolarHBondContact O-CB 3.47Å; A766-E769 PolarHBondContact O-N 3.23Å; A766-I770 PolarHBondContact O-N 3.04Å
767	V	88.2	Confident	88.1	Confident	82 Å²	82	75.6 Å²	75.6	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-53.6	-29.8	178.2	-179	0	0	0	0	112.5	F765 R771	F765-V767 PolarHBondContact O-N 3.3Å; V767-R771 VanDerWaalsContact O-CG 3.31Å; V767-R771 WeakPolarHBondContact O-CG 3.27Å; V767-R771 PolarHBondContact O-N 2.78Å; V767-R771 VanDerWaalsContact O-N 3.11Å
768	K	88.7	Confident	87.9	Confident	181 Å²	181	77.4 Å²	77.4	79%	0.787	38%	0.379	S	S	*	.	H	α-helix	trans	-65.6	-41.9	175.9	-68	-177.6	-179.3	177.1	0	112.4	A766 R771 A772	A766-K768 PolarHBondContact O-N 3.29Å; K768-R771 PolarHBondContact O-N 3.23Å; K768-A772 PolarHBondContact O-N 3.44Å; K768-A772 VanDerWaalsContact O-N 3.07Å
769	E	89	Confident	87.6	Confident	105 Å²	105	81.7 Å²	81.7	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-43.8	179.1	-66.2	172.2	-174.4	0	0	110.6	V736 A766 R771 A772 L773	V736-E769 HydrophobicContact CB-CB 4.36Å; V736-E769 HydrophobicContact CG1-CB 4.38Å; V736-E769 HydrophobicContact CG2-CB 4.4Å; A766-E769 HydrophobicContact CB-CG 4.09Å; A766-E769 WeakPolarHBondContact O-CB 3.47Å; A766-E769 PolarHBondContact O-N 3.23Å; E769-R771 VanDerWaalsContact C-N 3.31Å; E769-R771 PolarHBondContact O-N 2.76Å; E769-A772 WeakPolarHBondContact O-CB 3.48Å; E769-A772 PolarHBondContact O-N 3.05Å; E769-L773 PolarHBondContact O-N 2.79Å
770	I	89.7	Confident	87.2	Confident	9 Å²	9	86.5 Å²	86.5	5%	0.046	42%	0.424	C	S	.	.	H	α-helix	trans	-60.5	-41.3	176.7	-58.9	169.5	0	0	0	111.1	V736 R756 L759 F765 A766 A772 L773	V736-I770 HydrophobicContact CG1-CG1 3.97Å; V736-I770 HydrophobicContact CG2-CG1 4.3Å; R756-I770 HydrophobicContact CB-CG2 3.85Å; R756-I770 HydrophobicContact CG-CG2 3.96Å; L759-I770 HydrophobicContact CB-CD1 3.99Å; L759-I770 HydrophobicContact CB-CG1 4.12Å; L759-I770 HydrophobicContact CB-CG2 4.3Å; F765-I770 HydrophobicContact CB-CD1 4.01Å; F765-I770 HydrophobicContact CB-CG1 4.42Å; A766-I770 PolarHBondContact O-N 3.04Å; I770-A772 VanDerWaalsContact C-N 3.31Å; I770-A772 PolarHBondContact O-N 3.46Å; I770-L773 WeakPolarHBondContact O-CB 3.45Å; I770-L773 PolarHBondContact O-N 3.4Å
771	R	86.8	Confident	86.9	Confident	198 Å²	198	87.6 Å²	87.6	75%	0.747	42%	0.421	S	S	*	.	H	α-helix	trans	-69.3	-27.3	176.6	-73.4	178.5	-172.3	176.6	4.3	113.1	V767 K768 E769 L773	V767-R771 VanDerWaalsContact O-CG 3.31Å; V767-R771 WeakPolarHBondContact O-CG 3.27Å; V767-R771 PolarHBondContact O-N 2.78Å; V767-R771 VanDerWaalsContact O-N 3.11Å; K768-R771 PolarHBondContact O-N 3.23Å; E769-R771 VanDerWaalsContact C-N 3.31Å; E769-R771 PolarHBondContact O-N 2.76Å; R771-L773 VanDerWaalsContact C-N 3.25Å; R771-L773 PolarHBondContact O-N 3.43Å
772	A	88	Confident	86.4	Confident	73 Å²	73	92.2 Å²	92.2	60%	0.603	44%	0.442	S	S	*	.	H	α-helix	trans	-75.1	-14.3	177.7	0	0	0	0	0	113.1	K768 E769 I770 K774	K768-A772 PolarHBondContact O-N 3.44Å; K768-A772 VanDerWaalsContact O-N 3.07Å; E769-A772 WeakPolarHBondContact O-CB 3.48Å; E769-A772 PolarHBondContact O-N 3.05Å; I770-A772 VanDerWaalsContact C-N 3.31Å; I770-A772 PolarHBondContact O-N 3.46Å; A772-K774 PolarHBondContact O-N 3.01Å
773	L	85.5	Confident	85.9	Confident	11 Å²	11	98.4 Å²	98.4	6%	0.058	47%	0.472	C	S	.	.			trans	-62.7	113.7	177.8	-69.5	174.7	0	0	0	112.4	V736 V739 R756 L759 E769 I770 R771 L775	V736-L773 HydrophobicContact CG1-CD1 3.54Å; V736-L773 HydrophobicContact CG1-CD2 4.05Å; V736-L773 HydrophobicContact CG1-CG 3.84Å; V736-L773 WeakPolarHBondContact O-CD2 3.28Å; V739-L773 HydrophobicContact CG2-CD1 4.41Å; R756-L773 PolarHBondContact NH2-O 3.24Å; L759-L773 HydrophobicContact CD1-CD1 3.6Å; E769-L773 PolarHBondContact O-N 2.79Å; I770-L773 WeakPolarHBondContact O-CB 3.45Å; I770-L773 PolarHBondContact O-N 3.4Å; R771-L773 VanDerWaalsContact C-N 3.25Å; R771-L773 PolarHBondContact O-N 3.43Å; L773-L775 VanDerWaalsContact C-N 3.34Å; L773-L775 HydrophobicContact CB-CD1 4.46Å; L773-L775 HydrophobicContact CB-CG 4.15Å; L773-L775 HydrophobicContact CD1-CD1 4.47Å; L773-L775 PolarHBondContact O-N 3.43Å
774	K	82.6	Confident	85.7	Confident	178 Å²	178	94.6 Å²	94.6	77%	0.774	47%	0.466	S	S	*	.			trans	-88.3	70.1	173.3	-65.1	-175.6	-178.5	178.7	0	110.9	A772 Q776	A772-K774 PolarHBondContact O-N 3.01Å; K774-Q776 PolarHBondContact O-N 2.83Å
775	L	80.8	Confident	85.4	Confident	12 Å²	12	94.9 Å²	94.9	6%	0.063	46%	0.464	C	S	.	.			trans	-82.3	98.4	170.4	-54.4	174	0	0	0	107.5	V739 W743 A752 V755 L773	V739-L775 HydrophobicContact CG1-CD1 4.26Å; V739-L775 HydrophobicContact CG1-CD2 3.72Å; W743-L775 HydrophobicContact CB-CD2 4.25Å; W743-L775 HydrophobicContact CD2-CB 4.09Å; W743-L775 HydrophobicContact CD2-CD2 3.84Å; W743-L775 HydrophobicContact CD2-CG 4.37Å; W743-L775 HydrophobicContact CE3-CB 4.39Å; W743-L775 HydrophobicContact CE3-CD1 4.25Å; W743-L775 HydrophobicContact CE3-CD2 4.16Å; W743-L775 HydrophobicContact CE3-CG 4.48Å; W743-L775 HydrophobicContact CG-CD2 3.85Å; W743-L775 HydrophobicContact CH2-CB 4.27Å; W743-L775 HydrophobicContact CZ2-CB 3.89Å; W743-L775 HydrophobicContact CZ3-CB 4.48Å; W743-L775 HydrophobicContact CZ3-CD1 4.36Å; A752-L775 HydrophobicContact CB-CB 3.97Å; V755-L775 HydrophobicContact CB-CD1 4.02Å; V755-L775 HydrophobicContact CG1-CD1 3.67Å; L773-L775 VanDerWaalsContact C-N 3.34Å; L773-L775 HydrophobicContact CB-CD1 4.46Å; L773-L775 HydrophobicContact CB-CG 4.15Å; L773-L775 HydrophobicContact CD1-CD1 4.47Å; L773-L775 PolarHBondContact O-N 3.43Å
776	Q	65.3	Low	84.9	Confident	234 Å²	234	102.3 Å²	102.3	100%	1.093	50%	0.501	S	S	*	.			trans	-90.3	0	172.3	-77.6	-173.8	-21	0	0	110.5	W743 K774	W743-Q776 PolarHBondContact NE1-O 3.36Å; K774-Q776 PolarHBondContact O-N 2.83Å

Retrieved 776 of 776 residues in 1514.2 ms (Link to these results)

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