A0A087Y0U0_POEFO Loading...

DnaJ homolog subfamily C member 7

Acts as a co-chaperone regulating the molecular chaperones HSP70 and HSP90 in folding of steroid receptors, such as the glucocorticoid receptor and the progesterone receptor. Proposed to act as a recycling chaperone by facilitating the return of chaperone substrates to early stages of chaperoning if further folding is required. In vitro, induces ATP-independent dissociation of HSP90 but not of HSP70 from the chaperone-substrate complexes. Recruits NR1I3 to the cytoplasm.

AlphaFold DB , UniProt , Accession A0A087Y0U0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	38.7	Very low	37.8	Very low	242 Å²	242	145.9 Å²	145.9	100%	1.192	83%	0.833	S	S	*	*				0	93.1	0	-67.4	178.4	-175	0	0	105
2	A	34.6	Very low	38	Very low	92 Å²	92	146.3 Å²	146.3	76%	0.76	83%	0.831	S	S	*	*				68.4	118.5	85.3	0	0	0	0	0	108.4
3	T	34.9	Very low	38.8	Very low	124 Å²	124	143.5 Å²	143.5	76%	0.761	82%	0.822	S	S	*	*			cis	-164.5	128.6	32.4	39.4	0	0	0	0	109.1
4	E	37.2	Very low	39.4	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	82%	0.817	S	S	*	*			trans	-77.6	121.7	159.8	-79.2	176.1	153.5	0	0	108.2	C6	E4-C6 PolarHBondContact O-N 2.96Å
5	N	36.7	Very low	40.1	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	81%	0.814	S	S	*	*			trans	-74.1	101.6	168.6	-93.6	-6.6	0	0	0	108.3	D7	N5-D7 PolarHBondContact O-N 2.98Å
6	C	35.5	Very low	41.2	Very low	121 Å²	121	145.6 Å²	145.6	82%	0.818	81%	0.813	S	S	*	*			trans	-68.9	107	157	-86.3	0	0	0	0	108.3	E4 A8	E4-C6 PolarHBondContact O-N 2.96Å; C6-A8 PolarHBondContact O-N 3.2Å; C6-A8 VanDerWaalsContact O-N 3.09Å
7	D	39.9	Very low	42.4	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	82%	0.815	S	S	*	*			trans	-63.9	107	159.3	-78.1	-34.8	0	0	0	107.9	N5 V9	N5-D7 PolarHBondContact O-N 2.98Å; D7-V9 PolarHBondContact O-N 3.18Å; D7-V9 VanDerWaalsContact O-N 3.08Å
8	A	36.8	Very low	43.9	Very low	88 Å²	88	142.6 Å²	142.6	73%	0.727	79%	0.792	S	S	*	*			trans	-64.2	105.1	173.4	0	0	0	0	0	108.9	C6 N10	C6-A8 PolarHBondContact O-N 3.2Å; C6-A8 VanDerWaalsContact O-N 3.09Å; A8-N10 PolarHBondContact O-N 3.47Å; A8-N10 VanDerWaalsContact O-N 3.07Å
9	V	41.3	Very low	45.9	Very low	122 Å²	122	137.8 Å²	137.8	74%	0.739	77%	0.769	S	S	*	*			trans	-66.5	102.6	158	-177.6	0	0	0	0	105.9	D7 M11	D7-V9 PolarHBondContact O-N 3.18Å; D7-V9 VanDerWaalsContact O-N 3.08Å; V9-M11 VanDerWaalsContact C-N 3.25Å; V9-M11 HydrophobicContact CG1-CG 4.39Å; V9-M11 PolarHBondContact O-N 3.02Å
10	N	39.1	Very low	47.7	Very low	159 Å²	159	137.5 Å²	137.5	85%	0.85	77%	0.766	S	S	*	*			trans	-59	94.4	161.6	-88.3	-23.6	0	0	0	107.3	A8	A8-N10 PolarHBondContact O-N 3.47Å; A8-N10 VanDerWaalsContact O-N 3.07Å
11	M	41.7	Very low	49.4	Very low	163 Å²	163	137.8 Å²	137.8	80%	0.803	76%	0.762	S	S	*	*			trans	-75.6	119.5	156.3	-77.4	-148.8	169.1	0	0	107	V9 P13	V9-M11 VanDerWaalsContact C-N 3.25Å; V9-M11 HydrophobicContact CG1-CG 4.39Å; V9-M11 PolarHBondContact O-N 3.02Å; M11-P13 WeakPolarHBondContact O-CD 2.89Å
12	D	39.9	Very low	51.7	Low	151 Å²	151	130.1 Å²	130.1	81%	0.807	72%	0.723	S	S	*	*			trans	-46.9	122.5	166.8	-106.9	-35.1	0	0	0	109.8	D14	D12-D14 PolarHBondContact O-N 3.46Å
13	P	48.8	Very low	54.4	Low	110 Å²	110	127.8 Å²	127.8	71%	0.714	70%	0.697	S	S	*	*	S	Bend	trans	-97.6	58.1	179.6	38.2	-31.7	0	0	0	110.2	M11	M11-P13 WeakPolarHBondContact O-CD 2.89Å
14	D	46.4	Very low	57.1	Low	142 Å²	142	128 Å²	128	76%	0.759	69%	0.689	S	S	*	*			trans	-151.3	66.8	172.1	-81.2	-41.1	0	0	0	110.5	D12	D12-D14 PolarHBondContact O-N 3.46Å
15	I	50.9	Low	59.7	Low	150 Å²	150	126.2 Å²	126.2	77%	0.769	67%	0.674	S	S	*	*			trans	-92.8	93.6	151.3	-62.1	174.7	0	0	0	104.7	L17	I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.42Å
16	E	57.3	Low	62.4	Low	171 Å²	171	122.4 Å²	122.4	80%	0.799	65%	0.654	S	S	*	*			trans	-56.9	100.2	164.2	-86.6	179.8	150.5	0	0	107.4	L18	E16-L18 VanDerWaalsContact C-N 3.33Å; E16-L18 PolarHBondContact O-N 2.86Å
17	L	60.8	Low	65.2	Low	162 Å²	162	116.6 Å²	116.6	85%	0.848	62%	0.615	S	S	*	*			trans	-65.5	101.5	164.6	-94.1	113.5	0	0	0	106.5	I15 S19	I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.42Å; L17-S19 PolarHBondContact O-N 3.21Å
18	L	69.2	Low	67.9	Low	76 Å²	76	112.9 Å²	112.9	40%	0.398	59%	0.592	S	S	.	*			trans	-48.4	134.7	169.6	-67.4	169.2	0	0	0	108.9	E16 E22 I23 M56	E16-L18 VanDerWaalsContact C-N 3.33Å; E16-L18 PolarHBondContact O-N 2.86Å; L18-E22 HydrophobicContact CB-CB 4.4Å; L18-E22 HydrophobicContact CD2-CB 4.36Å; L18-I23 HydrophobicContact CB-CD1 4.18Å; L18-I23 HydrophobicContact CB-CG1 3.64Å; L18-I23 HydrophobicContact CD1-CG1 4.37Å; L18-M56 HydrophobicContact CD1-CE 4.4Å
19	S	82.4	Confident	70.8	Confident	51 Å²	51	110.8 Å²	110.8	36%	0.357	58%	0.575	S	S	.	*			trans	-63.9	152.6	173.7	61.4	0	0	0	0	110.5	L17 E21 E22 I23	L17-S19 PolarHBondContact O-N 3.21Å; S19-E21 PolarHBondContact O-N 3.45Å; S19-E21 VanDerWaalsContact O-N 3.1Å; S19-E22 WeakPolarHBondContact CB-OE2 3.48Å; S19-E22 PolarHBondContact N-OE2 3.2Å; S19-E22 WeakPolarHBondContact O-CB 3.36Å; S19-E22 PolarHBondContact O-N 2.79Å; S19-E22 WeakPolarHBondContact OG-CB 3.4Å; S19-E22 WeakPolarHBondContact OG-CG 3.42Å; S19-E22 PolarHBondContact OG-N 3.43Å; S19-E22 PolarHBondContact OG-OE2 3.24Å; S19-I23 WeakPolarHBondContact O-CG1 3.26Å; S19-I23 PolarHBondContact O-N 2.82Å
20	D	81.2	Confident	73.5	Confident	132 Å²	132	107.6 Å²	107.6	71%	0.706	55%	0.551	S	S	*	*	H	α-helix	trans	-53.6	-34.7	178.1	-70.4	-23.3	0	0	0	111.8	I23 E24	D20-I23 PolarHBondContact O-N 2.96Å; D20-E24 WeakPolarHBondContact O-CG 3.09Å; D20-E24 PolarHBondContact O-N 3.49Å
21	E	85	Confident	76.2	Confident	144 Å²	144	101.1 Å²	101.1	67%	0.673	52%	0.516	S	S	*	.	H	α-helix	trans	-69.8	-33.6	176.3	-65.7	-176.5	179.4	0	0	113.6	S19 R25	S19-E21 PolarHBondContact O-N 3.45Å; S19-E21 VanDerWaalsContact O-N 3.1Å; E21-R25 WeakPolarHBondContact O-CB 3.48Å; E21-R25 PolarHBondContact O-N 3.16Å; E21-R25 VanDerWaalsContact O-N 3.11Å
22	E	87.3	Confident	78.9	Confident	81 Å²	81	98 Å²	98	38%	0.379	50%	0.499	S	S	.	.	H	α-helix	trans	-73.3	-40.1	174.9	-74.4	163.2	151.8	0	0	111	L18 S19 E24 R25 D26	L18-E22 HydrophobicContact CB-CB 4.4Å; L18-E22 HydrophobicContact CD2-CB 4.36Å; S19-E22 WeakPolarHBondContact CB-OE2 3.48Å; S19-E22 PolarHBondContact N-OE2 3.2Å; S19-E22 WeakPolarHBondContact O-CB 3.36Å; S19-E22 PolarHBondContact O-N 2.79Å; S19-E22 WeakPolarHBondContact OG-CB 3.4Å; S19-E22 WeakPolarHBondContact OG-CG 3.42Å; S19-E22 PolarHBondContact OG-N 3.43Å; S19-E22 PolarHBondContact OG-OE2 3.24Å; E22-E24 PolarHBondContact O-N 3.48Å; E22-R25 PolarHBondContact O-N 3.46Å; E22-D26 WeakPolarHBondContact O-CB 3.47Å; E22-D26 PolarHBondContact O-N 3.43Å
23	I	90.2	Very high	81.7	Confident	42 Å²	42	94.5 Å²	94.5	22%	0.215	48%	0.478	C	S	.	.	H	α-helix	trans	-60.3	-46.1	174.8	-64	172.7	0	0	0	110.4	L18 S19 D20 D26 A27 M56	L18-I23 HydrophobicContact CB-CD1 4.18Å; L18-I23 HydrophobicContact CB-CG1 3.64Å; L18-I23 HydrophobicContact CD1-CG1 4.37Å; S19-I23 WeakPolarHBondContact O-CG1 3.26Å; S19-I23 PolarHBondContact O-N 2.82Å; D20-I23 PolarHBondContact O-N 2.96Å; I23-D26 PolarHBondContact O-N 3.36Å; I23-A27 WeakPolarHBondContact O-CB 3.47Å; I23-A27 PolarHBondContact O-N 3.02Å; I23-M56 HydrophobicContact CB-CE 4.41Å; I23-M56 HydrophobicContact CG1-CE 4.5Å; I23-M56 HydrophobicContact CG2-CB 4.19Å; I23-M56 HydrophobicContact CG2-CE 4.04Å; I23-M56 WeakPolarHBondContact CG2-O 3.41Å
24	E	90.7	Very high	84	Confident	128 Å²	128	89.3 Å²	89.3	60%	0.598	44%	0.444	S	S	*	.	H	α-helix	trans	-63.8	-39.9	176.9	-76.4	-175.7	177	0	0	112.5	D20 E22 A27 E28	D20-E24 WeakPolarHBondContact O-CG 3.09Å; D20-E24 PolarHBondContact O-N 3.49Å; E22-E24 PolarHBondContact O-N 3.48Å; E24-A27 PolarHBondContact O-N 2.92Å; E24-E28 WeakPolarHBondContact O-CB 3.01Å; E24-E28 PolarHBondContact O-N 3.11Å
25	R	93.3	Very high	86.5	Confident	158 Å²	158	84.3 Å²	84.3	60%	0.596	42%	0.418	S	S	*	.	H	α-helix	trans	-64.6	-43.8	177.5	-170.8	-172.6	-56.9	159.4	7.1	112	E21 E22 E28 A29	E21-R25 WeakPolarHBondContact O-CB 3.48Å; E21-R25 PolarHBondContact O-N 3.16Å; E21-R25 VanDerWaalsContact O-N 3.11Å; E22-R25 PolarHBondContact O-N 3.46Å; R25-E28 PolarHBondContact O-N 2.96Å; R25-A29 PolarHBondContact O-N 3.43Å
26	D	92.9	Very high	88.7	Confident	67 Å²	67	79.4 Å²	79.4	36%	0.358	40%	0.399	S	S	.	.	H	α-helix	trans	-68.5	-39.9	178.6	-76.4	-8.2	0	0	0	111.5	E22 I23 E28 A29 F30 M56	E22-D26 WeakPolarHBondContact O-CB 3.47Å; E22-D26 PolarHBondContact O-N 3.43Å; I23-D26 PolarHBondContact O-N 3.36Å; D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.3Å; D26-A29 WeakPolarHBondContact O-CB 3.4Å; D26-A29 PolarHBondContact O-N 3.46Å; D26-F30 WeakPolarHBondContact O-CD2 3.35Å; D26-F30 PolarHBondContact O-N 3.2Å; D26-M56 HydrophobicContact CB-CE 3.88Å
27	A	94.9	Very high	90.7	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-41.7	173.3	0	0	0	0	0	111.8	I23 E24 F30 K31 A53 M56 C57 Y63	I23-A27 WeakPolarHBondContact O-CB 3.47Å; I23-A27 PolarHBondContact O-N 3.02Å; E24-A27 PolarHBondContact O-N 2.92Å; A27-F30 PolarHBondContact O-N 3.47Å; A27-K31 PolarHBondContact O-N 2.99Å; A27-A53 WeakPolarHBondContact O-CB 3.42Å; A27-M56 HydrophobicContact CB-CB 3.79Å; A27-C57 HydrophobicContact CB-CB 4.02Å; A27-C57 VanDerWaalsContact CB-SG 3.55Å; A27-Y63 HydrophobicContact CB-CE2 3.89Å
28	E	96.3	Very high	92.4	Very high	73 Å²	73	69.2 Å²	69.2	34%	0.341	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-38	177.1	-167.8	67.4	178.7	0	0	112.3	E24 R25 D26 K31 E32 Y63	E24-E28 WeakPolarHBondContact O-CB 3.01Å; E24-E28 PolarHBondContact O-N 3.11Å; R25-E28 PolarHBondContact O-N 2.96Å; D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.3Å; E28-K31 VanDerWaalsContact CD-NZ 3.33Å; E28-K31 WeakPolarHBondContact O-CB 3.47Å; E28-K31 PolarHBondContact O-N 3.04Å; E28-K31 WeakPolarHBondContact OE1-CE 3.43Å; E28-K31 IonicContact OE1-NZ 2.59Å; E28-K31 PolarHBondContact OE1-NZ 2.9Å; E28-K31 IonicContact OE2-NZ 3.65Å; E28-E32 PolarHBondContact O-N 3.18Å; E28-Y63 PolarHBondContact OE2-OH 2.76Å
29	A	96.6	Very high	93.8	Very high	45 Å²	45	72 Å²	72	37%	0.372	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-43	173	0	0	0	0	0	111.7	R25 D26 E32 Q33	R25-A29 PolarHBondContact O-N 3.43Å; D26-A29 WeakPolarHBondContact O-CB 3.4Å; D26-A29 PolarHBondContact O-N 3.46Å; A29-E32 PolarHBondContact O-N 3.43Å; A29-Q33 WeakPolarHBondContact O-CG 3.48Å; A29-Q33 PolarHBondContact O-N 3.18Å
30	F	97.9	Very high	94.5	Very high	54 Å²	54	76.8 Å²	76.8	24%	0.237	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-40.3	173.3	-70	-47.2	0	0	0	112	D26 A27 E32 Q33 G34 Y49 K52 A53 M56	D26-F30 WeakPolarHBondContact O-CD2 3.35Å; D26-F30 PolarHBondContact O-N 3.2Å; A27-F30 PolarHBondContact O-N 3.47Å; F30-E32 PolarHBondContact O-N 3.26Å; F30-Q33 PolarHBondContact O-N 3.42Å; F30-G34 PolarHBondContact O-N 3.13Å; F30-Y49 AromaticContact CD1-CD1 3.92Å; F30-Y49 HydrophobicContact CD1-CD1 3.92Å; F30-Y49 HydrophobicContact CD1-CE1 4.29Å; F30-K52 HydrophobicContact CB-CB 4.28Å; F30-K52 HydrophobicContact CD1-CB 4.23Å; F30-K52 HydrophobicContact CD1-CD 4.07Å; F30-K52 HydrophobicContact CD2-CB 3.87Å; F30-K52 HydrophobicContact CE1-CD 3.95Å; F30-K52 HydrophobicContact CE2-CB 4.23Å; F30-K52 HydrophobicContact CG-CB 3.88Å; F30-K52 HydrophobicContact CZ-CD 4.34Å; F30-A53 HydrophobicContact CB-CB 4.04Å; F30-M56 HydrophobicContact CD2-CG 4.28Å; F30-M56 HydrophobicContact CE2-CG 4.2Å
31	K	97.5	Very high	95.3	Very high	24 Å²	24	77.8 Å²	77.8	10%	0.104	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-44.5	174.3	-176.1	-140.5	65.1	174.2	0	111.4	A27 E28 G34 N35 Y50 A53 Y63	A27-K31 PolarHBondContact O-N 2.99Å; E28-K31 VanDerWaalsContact CD-NZ 3.33Å; E28-K31 WeakPolarHBondContact O-CB 3.47Å; E28-K31 PolarHBondContact O-N 3.04Å; E28-K31 WeakPolarHBondContact OE1-CE 3.43Å; E28-K31 IonicContact OE1-NZ 2.59Å; E28-K31 PolarHBondContact OE1-NZ 2.9Å; E28-K31 IonicContact OE2-NZ 3.65Å; K31-G34 PolarHBondContact O-N 2.88Å; K31-N35 VanDerWaalsContact O-CG 3.32Å; K31-N35 PolarHBondContact O-N 3.11Å; K31-Y50 HydrophobicContact CG-CD1 4.44Å; K31-Y50 HydrophobicContact CG-CE1 4.2Å; K31-Y50 WeakPolarHBondContact O-CE1 3.21Å; K31-A53 HydrophobicContact CB-CB 4.37Å; K31-Y63 HydrophobicContact CB-CD1 4.17Å; K31-Y63 HydrophobicContact CB-CE1 3.91Å; K31-Y63 HydrophobicContact CD-CD1 4.09Å; K31-Y63 HydrophobicContact CD-CE1 3.75Å; K31-Y63 HydrophobicContact CG-CD1 3.87Å; K31-Y63 HydrophobicContact CG-CE1 3.87Å
32	E	97.9	Very high	95.9	Very high	96 Å²	96	74 Å²	74	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-67.6	-35.9	177.9	-70	-55	153.5	0	0	113.2	E28 A29 F30 G34 N35 A36	E28-E32 PolarHBondContact O-N 3.18Å; A29-E32 PolarHBondContact O-N 3.43Å; F30-E32 PolarHBondContact O-N 3.26Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-N35 WeakPolarHBondContact O-CB 3.09Å; E32-N35 PolarHBondContact O-N 2.88Å; E32-N35 PolarHBondContact OE2-ND2 3.05Å; E32-A36 PolarHBondContact O-N 2.95Å
33	Q	97.8	Very high	96.4	Very high	79 Å²	79	72 Å²	72	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-43.9	170.6	-69.9	171.6	16.5	0	0	110.8	A29 F30 N35 A36 F37 Y49	A29-Q33 WeakPolarHBondContact O-CG 3.48Å; A29-Q33 PolarHBondContact O-N 3.18Å; F30-Q33 PolarHBondContact O-N 3.42Å; Q33-N35 VanDerWaalsContact C-N 3.34Å; Q33-N35 PolarHBondContact O-N 3.45Å; Q33-A36 WeakPolarHBondContact O-CB 3.44Å; Q33-A36 PolarHBondContact O-N 3.44Å; Q33-A36 VanDerWaalsContact O-N 3.15Å; Q33-F37 VanDerWaalsContact O-CD2 3.26Å; Q33-F37 WeakPolarHBondContact O-CD2 3.04Å; Q33-F37 PolarHBondContact O-N 3.01Å; Q33-Y49 HydrophobicContact CB-CD1 3.85Å; Q33-Y49 HydrophobicContact CB-CD2 4.42Å; Q33-Y49 HydrophobicContact CB-CE1 4.18Å; Q33-Y49 HydrophobicContact CB-CG 3.98Å; Q33-Y49 VanDerWaalsContact OE1-CD1 3.25Å
34	G	97.9	Very high	96.8	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-44.4	172.4	0	0	0	0	0	112.7	F30 K31 E32 A36 F37 Y38 A46 Y50	F30-G34 PolarHBondContact O-N 3.13Å; K31-G34 PolarHBondContact O-N 2.88Å; E32-G34 VanDerWaalsContact C-N 3.34Å; G34-A36 VanDerWaalsContact C-N 3.33Å; G34-A36 PolarHBondContact O-N 2.85Å; G34-F37 PolarHBondContact O-N 3.33Å; G34-Y38 WeakPolarHBondContact O-CB 3.42Å; G34-Y38 PolarHBondContact O-N 3.22Å; G34-A46 WeakPolarHBondContact O-CB 3.15Å; G34-Y50 VanDerWaalsContact C-CZ 3.43Å; G34-Y50 VanDerWaalsContact C-OH 3.27Å; G34-Y50 PolarHBondContact O-OH 3.26Å
35	N	97.9	Very high	97.1	Very high	38 Å²	38	70.9 Å²	70.9	20%	0.203	34%	0.344	C	S	.	.	H	α-helix	trans	-59.4	-43.8	175.1	-69.5	-23.2	0	0	0	111.3	K31 E32 Q33 Y38 I39 Y50	K31-N35 VanDerWaalsContact O-CG 3.32Å; K31-N35 PolarHBondContact O-N 3.11Å; E32-N35 WeakPolarHBondContact O-CB 3.09Å; E32-N35 PolarHBondContact O-N 2.88Å; E32-N35 PolarHBondContact OE2-ND2 3.05Å; Q33-N35 VanDerWaalsContact C-N 3.34Å; Q33-N35 PolarHBondContact O-N 3.45Å; N35-Y38 WeakPolarHBondContact O-CB 3.34Å; N35-Y38 PolarHBondContact O-N 3.48Å; N35-I39 WeakPolarHBondContact O-CG1 3.32Å; N35-I39 PolarHBondContact O-N 3.03Å; N35-Y50 VanDerWaalsContact CA-OH 3.31Å; N35-Y50 WeakPolarHBondContact CA-OH 3.45Å; N35-Y50 PolarHBondContact N-OH 2.66Å; N35-Y50 PolarHBondContact OD1-OH 3.25Å
36	A	98.1	Very high	97.3	Very high	46 Å²	46	63.4 Å²	63.4	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-42.8	179.5	0	0	0	0	0	112.3	E32 Q33 G34 K40	E32-A36 PolarHBondContact O-N 2.95Å; Q33-A36 WeakPolarHBondContact O-CB 3.44Å; Q33-A36 PolarHBondContact O-N 3.44Å; Q33-A36 VanDerWaalsContact O-N 3.15Å; G34-A36 VanDerWaalsContact C-N 3.33Å; G34-A36 PolarHBondContact O-N 2.85Å; A36-K40 WeakPolarHBondContact O-CG 3.26Å; A36-K40 PolarHBondContact O-N 3.09Å
37	F	98.3	Very high	97.6	Very high	48 Å²	48	62.1 Å²	62.1	21%	0.211	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-37.4	174.3	-79.1	-74.2	0	0	0	112.3	Q33 G34 I39 K40 K41 D42 E45 A46 Y49	Q33-F37 VanDerWaalsContact O-CD2 3.26Å; Q33-F37 WeakPolarHBondContact O-CD2 3.04Å; Q33-F37 PolarHBondContact O-N 3.01Å; G34-F37 PolarHBondContact O-N 3.33Å; F37-I39 PolarHBondContact O-N 3.07Å; F37-K40 CarbonylContact O-C 3.59Å; F37-K40 WeakPolarHBondContact O-CA 3.29Å; F37-K40 WeakPolarHBondContact O-CB 3.29Å; F37-K40 PolarHBondContact O-N 2.97Å; F37-K40 VanDerWaalsContact O-N 3.13Å; F37-K41 PolarHBondContact O-N 3.09Å; F37-K41 VanDerWaalsContact O-N 3.12Å; F37-D42 HydrophobicContact CB-CB 4.42Å; F37-D42 HydrophobicContact CD1-CB 3.94Å; F37-D42 PolarHBondContact O-N 2.71Å; F37-E45 HydrophobicContact CB-CB 4.19Å; F37-E45 HydrophobicContact CD1-CB 3.58Å; F37-E45 HydrophobicContact CD1-CG 4.29Å; F37-E45 HydrophobicContact CD2-CB 4.18Å; F37-E45 HydrophobicContact CE1-CB 3.9Å; F37-E45 HydrophobicContact CE1-CG 4.19Å; F37-E45 HydrophobicContact CE2-CB 4.5Å; F37-E45 HydrophobicContact CG-CB 3.73Å; F37-E45 HydrophobicContact CZ-CB 4.36Å; F37-A46 HydrophobicContact CB-CB 3.95Å; F37-Y49 AromaticContact CD2-CD2 3.56Å; F37-Y49 HydrophobicContact CD2-CD2 3.56Å; F37-Y49 AromaticContact CD2-CE2 3.59Å; F37-Y49 HydrophobicContact CD2-CE2 3.59Å; F37-Y49 AromaticContact CE2-CD2 3.72Å; F37-Y49 HydrophobicContact CE2-CD2 3.72Å; F37-Y49 AromaticContact CE2-CE2 3.2Å; F37-Y49 HydrophobicContact CE2-CE2 3.2Å; F37-Y49 HydrophobicContact CZ-CE2 4.05Å
38	Y	97.8	Very high	97.7	Very high	71 Å²	71	65.1 Å²	65.1	28%	0.278	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-43.9	175.6	-173.1	-83.3	0	0	0	111.9	G34 N35 K40 K41 Y43 A69 T70 M73	G34-Y38 WeakPolarHBondContact O-CB 3.42Å; G34-Y38 PolarHBondContact O-N 3.22Å; N35-Y38 WeakPolarHBondContact O-CB 3.34Å; N35-Y38 PolarHBondContact O-N 3.48Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 2.78Å; Y38-K41 WeakPolarHBondContact O-CA 3.42Å; Y38-K41 PolarHBondContact O-N 2.65Å; Y38-Y43 AromaticContact CD2-CD1 3.88Å; Y38-Y43 HydrophobicContact CD2-CD1 3.88Å; Y38-Y43 AromaticContact CD2-CE1 3.97Å; Y38-Y43 HydrophobicContact CD2-CE1 3.97Å; Y38-Y43 HydrophobicContact CE2-CD1 4.04Å; Y38-Y43 AromaticContact CE2-CE1 3.9Å; Y38-Y43 HydrophobicContact CE2-CE1 3.9Å; Y38-Y43 HydrophobicContact CG-CE1 4.33Å; Y38-A69 HydrophobicContact CE2-CB 4.24Å; Y38-T70 WeakPolarHBondContact CD2-OG1 3.29Å; Y38-M73 HydrophobicContact CE2-CG 4.09Å
39	I	97.8	Very high	97.8	Very high	136 Å²	136	63.7 Å²	63.7	70%	0.697	32%	0.315	S	S	*	.	H	α-helix	trans	-62.9	-37.8	175.7	-68.6	165.3	0	0	0	111	N35 F37 K41	N35-I39 WeakPolarHBondContact O-CG1 3.32Å; N35-I39 PolarHBondContact O-N 3.03Å; F37-I39 PolarHBondContact O-N 3.07Å; I39-K41 PolarHBondContact O-N 3.22Å
40	K	97.6	Very high	97.9	Very high	151 Å²	151	61.8 Å²	61.8	66%	0.657	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.4	173.4	-68.4	172.8	-176.4	176.5	0	113.6	A36 F37 Y38 D42	A36-K40 WeakPolarHBondContact O-CG 3.26Å; A36-K40 PolarHBondContact O-N 3.09Å; F37-K40 CarbonylContact O-C 3.59Å; F37-K40 WeakPolarHBondContact O-CA 3.29Å; F37-K40 WeakPolarHBondContact O-CB 3.29Å; F37-K40 PolarHBondContact O-N 2.97Å; F37-K40 VanDerWaalsContact O-N 3.13Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 2.78Å; K40-D42 PolarHBondContact O-N 3.42Å
41	K	97.4	Very high	97.9	Very high	153 Å²	153	60.6 Å²	60.6	67%	0.665	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	18.3	-173.7	-50.1	-176.9	179.2	179.2	0	113.9	F37 Y38 I39 Y43	F37-K41 PolarHBondContact O-N 3.09Å; F37-K41 VanDerWaalsContact O-N 3.12Å; Y38-K41 WeakPolarHBondContact O-CA 3.42Å; Y38-K41 PolarHBondContact O-N 2.65Å; I39-K41 PolarHBondContact O-N 3.22Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 HydrophobicContact CB-CE1 4.49Å; K41-Y43 HydrophobicContact CB-CE2 3.97Å; K41-Y43 WeakPolarHBondContact O-CD2 3.33Å; K41-Y43 PolarHBondContact O-N 3.46Å; K41-Y43 VanDerWaalsContact O-N 3.12Å
42	D	97.7	Very high	98	Very high	64 Å²	64	63.8 Å²	63.8	34%	0.342	31%	0.309	S	S	.	.			trans	-85.7	77.8	169.2	-169.7	-16.6	0	0	0	108.3	F37 K40 T44 E45 A46	F37-D42 HydrophobicContact CB-CB 4.42Å; F37-D42 HydrophobicContact CD1-CB 3.94Å; F37-D42 PolarHBondContact O-N 2.71Å; K40-D42 PolarHBondContact O-N 3.42Å; D42-T44 PolarHBondContact O-N 3.06Å; D42-E45 PolarHBondContact O-N 2.79Å; D42-E45 PolarHBondContact OD1-N 3.09Å; D42-E45 VanDerWaalsContact OD1-N 3.15Å; D42-A46 WeakPolarHBondContact O-CB 3.44Å; D42-A46 PolarHBondContact O-N 3.21Å
43	Y	98.1	Very high	97.9	Very high	40 Å²	40	59.2 Å²	59.2	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-24.7	-174.7	-56.7	-58	0	0	0	112.5	Y38 K41 F47 T70 M73	Y38-Y43 AromaticContact CD2-CD1 3.88Å; Y38-Y43 HydrophobicContact CD2-CD1 3.88Å; Y38-Y43 AromaticContact CD2-CE1 3.97Å; Y38-Y43 HydrophobicContact CD2-CE1 3.97Å; Y38-Y43 HydrophobicContact CE2-CD1 4.04Å; Y38-Y43 AromaticContact CE2-CE1 3.9Å; Y38-Y43 HydrophobicContact CE2-CE1 3.9Å; Y38-Y43 HydrophobicContact CG-CE1 4.33Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 HydrophobicContact CB-CE1 4.49Å; K41-Y43 HydrophobicContact CB-CE2 3.97Å; K41-Y43 WeakPolarHBondContact O-CD2 3.33Å; K41-Y43 PolarHBondContact O-N 3.46Å; K41-Y43 VanDerWaalsContact O-N 3.12Å; Y43-F47 WeakPolarHBondContact O-CB 3.27Å; Y43-F47 PolarHBondContact O-N 3.21Å; Y43-T70 HydrophobicContact CD1-CG2 4.38Å; Y43-T70 WeakPolarHBondContact O-CG2 3.28Å; Y43-M73 HydrophobicContact CD1-CB 3.72Å; Y43-M73 HydrophobicContact CD1-CG 4.07Å; Y43-M73 HydrophobicContact CD2-CB 3.73Å; Y43-M73 HydrophobicContact CE1-CB 3.71Å; Y43-M73 HydrophobicContact CE1-CG 3.67Å; Y43-M73 HydrophobicContact CE2-CB 3.72Å; Y43-M73 HydrophobicContact CE2-CE 4.14Å; Y43-M73 HydrophobicContact CE2-CG 4.31Å; Y43-M73 HydrophobicContact CG-CB 3.74Å; Y43-M73 WeakPolarHBondContact OH-CE 3.39Å
44	T	97.5	Very high	97.9	Very high	83 Å²	83	55.8 Å²	55.8	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-68.5	-49.4	176.4	-55	0	0	0	0	110.5	D42 F47 N48	D42-T44 PolarHBondContact O-N 3.06Å; T44-F47 WeakPolarHBondContact O-CB 3.37Å; T44-F47 PolarHBondContact O-N 2.72Å; T44-N48 PolarHBondContact O-N 2.79Å; T44-N48 PolarHBondContact O-ND2 2.98Å
45	E	97.8	Very high	97.9	Very high	63 Å²	63	61.4 Å²	61.4	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-68.3	-38.6	176.7	-73.8	-57.5	111.2	0	0	111.9	F37 D42 F47 N48 Y49	F37-E45 HydrophobicContact CB-CB 4.19Å; F37-E45 HydrophobicContact CD1-CB 3.58Å; F37-E45 HydrophobicContact CD1-CG 4.29Å; F37-E45 HydrophobicContact CD2-CB 4.18Å; F37-E45 HydrophobicContact CE1-CB 3.9Å; F37-E45 HydrophobicContact CE1-CG 4.19Å; F37-E45 HydrophobicContact CE2-CB 4.5Å; F37-E45 HydrophobicContact CG-CB 3.73Å; F37-E45 HydrophobicContact CZ-CB 4.36Å; D42-E45 PolarHBondContact O-N 2.79Å; D42-E45 PolarHBondContact OD1-N 3.09Å; D42-E45 VanDerWaalsContact OD1-N 3.15Å; E45-F47 VanDerWaalsContact C-N 3.27Å; E45-F47 PolarHBondContact O-N 3Å; E45-N48 WeakPolarHBondContact O-CB 3.39Å; E45-N48 PolarHBondContact O-N 3.49Å; E45-N48 VanDerWaalsContact O-N 3.1Å; E45-N48 PolarHBondContact OE1-ND2 3.5Å; E45-Y49 VanDerWaalsContact O-CD2 3.23Å; E45-Y49 WeakPolarHBondContact O-CD2 3.23Å; E45-Y49 PolarHBondContact O-N 3.4Å
46	A	98.4	Very high	97.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.7	-43.7	173.5	0	0	0	0	0	111.7	G34 F37 D42 N48 Y49 Y50 T70	G34-A46 WeakPolarHBondContact O-CB 3.15Å; F37-A46 HydrophobicContact CB-CB 3.95Å; D42-A46 WeakPolarHBondContact O-CB 3.44Å; D42-A46 PolarHBondContact O-N 3.21Å; A46-N48 VanDerWaalsContact C-N 3.34Å; A46-N48 PolarHBondContact O-N 2.68Å; A46-Y49 PolarHBondContact O-N 3.46Å; A46-Y50 HydrophobicContact CB-CD2 4.41Å; A46-Y50 HydrophobicContact CB-CE2 3.99Å; A46-Y50 WeakPolarHBondContact O-CD2 3.5Å; A46-Y50 PolarHBondContact O-N 3.06Å; A46-T70 HydrophobicContact CB-CG2 3.89Å
47	F	98.4	Very high	97.5	Very high	41 Å²	41	61.1 Å²	61.1	18%	0.18	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-42.7	176.5	172.3	-90.6	0	0	0	112.1	Y43 T44 E45 T51 R67 T70 L71	Y43-F47 WeakPolarHBondContact O-CB 3.27Å; Y43-F47 PolarHBondContact O-N 3.21Å; T44-F47 WeakPolarHBondContact O-CB 3.37Å; T44-F47 PolarHBondContact O-N 2.72Å; E45-F47 VanDerWaalsContact C-N 3.27Å; E45-F47 PolarHBondContact O-N 3Å; F47-T51 WeakPolarHBondContact O-CB 3.35Å; F47-T51 PolarHBondContact O-N 2.88Å; F47-T51 PolarHBondContact O-OG1 3.09Å; F47-R67 HydrophobicContact CD2-CG 3.63Å; F47-R67 HydrophobicContact CE2-CG 3.85Å; F47-T70 HydrophobicContact CB-CG2 4.01Å; F47-L71 HydrophobicContact CD2-CD1 4.47Å; F47-L71 HydrophobicContact CD2-CD2 3.7Å; F47-L71 HydrophobicContact CD2-CG 3.94Å; F47-L71 HydrophobicContact CE2-CD1 4.15Å; F47-L71 HydrophobicContact CE2-CD2 3.63Å; F47-L71 HydrophobicContact CE2-CG 4.03Å
48	N	98.1	Very high	97.4	Very high	62 Å²	62	62.2 Å²	62.2	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-45.7	178.4	-67.3	-25.5	0	0	0	111.4	T44 E45 A46 T51 K52	T44-N48 PolarHBondContact O-N 2.79Å; T44-N48 PolarHBondContact O-ND2 2.98Å; E45-N48 WeakPolarHBondContact O-CB 3.39Å; E45-N48 PolarHBondContact O-N 3.49Å; E45-N48 VanDerWaalsContact O-N 3.1Å; E45-N48 PolarHBondContact OE1-ND2 3.5Å; A46-N48 VanDerWaalsContact C-N 3.34Å; A46-N48 PolarHBondContact O-N 2.68Å; N48-T51 WeakPolarHBondContact O-CB 3.34Å; N48-T51 PolarHBondContact O-N 2.84Å; N48-K52 WeakPolarHBondContact O-CG 3.42Å; N48-K52 PolarHBondContact O-N 3.36Å
49	Y	98.4	Very high	97.3	Very high	44 Å²	44	67.4 Å²	67.4	17%	0.173	33%	0.33	C	S	.	.	H	α-helix	trans	-69.8	-39.2	179.6	-77.9	-69.2	0	0	0	113.5	F30 Q33 F37 E45 A46 T51 K52 A53	F30-Y49 AromaticContact CD1-CD1 3.92Å; F30-Y49 HydrophobicContact CD1-CD1 3.92Å; F30-Y49 HydrophobicContact CD1-CE1 4.29Å; Q33-Y49 HydrophobicContact CB-CD1 3.85Å; Q33-Y49 HydrophobicContact CB-CD2 4.42Å; Q33-Y49 HydrophobicContact CB-CE1 4.18Å; Q33-Y49 HydrophobicContact CB-CG 3.98Å; Q33-Y49 VanDerWaalsContact OE1-CD1 3.25Å; F37-Y49 AromaticContact CD2-CD2 3.56Å; F37-Y49 HydrophobicContact CD2-CD2 3.56Å; F37-Y49 AromaticContact CD2-CE2 3.59Å; F37-Y49 HydrophobicContact CD2-CE2 3.59Å; F37-Y49 AromaticContact CE2-CD2 3.72Å; F37-Y49 HydrophobicContact CE2-CD2 3.72Å; F37-Y49 AromaticContact CE2-CE2 3.2Å; F37-Y49 HydrophobicContact CE2-CE2 3.2Å; F37-Y49 HydrophobicContact CZ-CE2 4.05Å; E45-Y49 VanDerWaalsContact O-CD2 3.23Å; E45-Y49 WeakPolarHBondContact O-CD2 3.23Å; E45-Y49 PolarHBondContact O-N 3.4Å; A46-Y49 PolarHBondContact O-N 3.46Å; Y49-T51 VanDerWaalsContact C-N 3.26Å; Y49-T51 PolarHBondContact O-N 3.49Å; Y49-K52 HydrophobicContact CD1-CD 4.22Å; Y49-K52 HydrophobicContact CE1-CD 4.49Å; Y49-K52 PolarHBondContact O-N 3.44Å; Y49-A53 PolarHBondContact O-N 3.48Å
50	Y	98.3	Very high	97.2	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-32	172.3	-64	-51.9	0	0	0	112.4	K31 G34 N35 A46 A53 I54 N66 R67 T70	K31-Y50 HydrophobicContact CG-CD1 4.44Å; K31-Y50 HydrophobicContact CG-CE1 4.2Å; K31-Y50 WeakPolarHBondContact O-CE1 3.21Å; G34-Y50 VanDerWaalsContact C-CZ 3.43Å; G34-Y50 VanDerWaalsContact C-OH 3.27Å; G34-Y50 PolarHBondContact O-OH 3.26Å; N35-Y50 VanDerWaalsContact CA-OH 3.31Å; N35-Y50 WeakPolarHBondContact CA-OH 3.45Å; N35-Y50 PolarHBondContact N-OH 2.66Å; N35-Y50 PolarHBondContact OD1-OH 3.25Å; A46-Y50 HydrophobicContact CB-CD2 4.41Å; A46-Y50 HydrophobicContact CB-CE2 3.99Å; A46-Y50 WeakPolarHBondContact O-CD2 3.5Å; A46-Y50 PolarHBondContact O-N 3.06Å; Y50-A53 PolarHBondContact O-N 3.09Å; Y50-I54 VanDerWaalsContact O-CG1 3.3Å; Y50-I54 WeakPolarHBondContact O-CG1 3.47Å; Y50-I54 PolarHBondContact O-N 3.14Å; Y50-N66 HydrophobicContact CD1-CB 3.86Å; Y50-N66 HydrophobicContact CD2-CB 4.4Å; Y50-N66 HydrophobicContact CE1-CB 3.54Å; Y50-N66 HydrophobicContact CE2-CB 4.14Å; Y50-N66 HydrophobicContact CG-CB 4.29Å; Y50-R67 HydrophobicContact CG-CB 4.47Å; Y50-T70 WeakPolarHBondContact CD2-OG1 3.39Å; Y50-T70 WeakPolarHBondContact CE2-OG1 3.4Å
51	T	98.3	Very high	97.1	Very high	30 Å²	30	56.8 Å²	56.8	18%	0.184	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-45.3	173.7	-60.8	0	0	0	0	111	F47 N48 Y49 A53 I54 D55 R67	F47-T51 WeakPolarHBondContact O-CB 3.35Å; F47-T51 PolarHBondContact O-N 2.88Å; F47-T51 PolarHBondContact O-OG1 3.09Å; N48-T51 WeakPolarHBondContact O-CB 3.34Å; N48-T51 PolarHBondContact O-N 2.84Å; Y49-T51 VanDerWaalsContact C-N 3.26Å; Y49-T51 PolarHBondContact O-N 3.49Å; T51-A53 VanDerWaalsContact C-N 3.31Å; T51-A53 PolarHBondContact O-N 2.94Å; T51-I54 WeakPolarHBondContact O-CB 2.99Å; T51-I54 PolarHBondContact O-N 3.38Å; T51-I54 VanDerWaalsContact O-N 3.08Å; T51-D55 VanDerWaalsContact O-CG 3.23Å; T51-D55 PolarHBondContact O-N 3Å; T51-R67 WeakPolarHBondContact OG1-CD 3.37Å; T51-R67 PolarHBondContact OG1-NH1 3.38Å
52	K	97.9	Very high	97.1	Very high	90 Å²	90	51.2 Å²	51.2	39%	0.391	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-42	172.7	-67.3	175.2	-176.9	176.2	0	112.5	F30 N48 Y49 I54 D55 M56	F30-K52 HydrophobicContact CB-CB 4.28Å; F30-K52 HydrophobicContact CD1-CB 4.23Å; F30-K52 HydrophobicContact CD1-CD 4.07Å; F30-K52 HydrophobicContact CD2-CB 3.87Å; F30-K52 HydrophobicContact CE1-CD 3.95Å; F30-K52 HydrophobicContact CE2-CB 4.23Å; F30-K52 HydrophobicContact CG-CB 3.88Å; F30-K52 HydrophobicContact CZ-CD 4.34Å; N48-K52 WeakPolarHBondContact O-CG 3.42Å; N48-K52 PolarHBondContact O-N 3.36Å; Y49-K52 HydrophobicContact CD1-CD 4.22Å; Y49-K52 HydrophobicContact CE1-CD 4.49Å; Y49-K52 PolarHBondContact O-N 3.44Å; K52-I54 VanDerWaalsContact C-N 3.32Å; K52-I54 PolarHBondContact O-N 3.05Å; K52-D55 PolarHBondContact O-N 3.34Å; K52-M56 VanDerWaalsContact O-CG 3.27Å; K52-M56 WeakPolarHBondContact O-CG 3.48Å; K52-M56 PolarHBondContact O-N 3.38Å; K52-M56 VanDerWaalsContact O-N 3.12Å
53	A	97.6	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176	0	0	0	0	0	112.4	A27 F30 K31 Y49 Y50 T51 C57 Y63	A27-A53 WeakPolarHBondContact O-CB 3.42Å; F30-A53 HydrophobicContact CB-CB 4.04Å; K31-A53 HydrophobicContact CB-CB 4.37Å; Y49-A53 PolarHBondContact O-N 3.48Å; Y50-A53 PolarHBondContact O-N 3.09Å; T51-A53 VanDerWaalsContact C-N 3.31Å; T51-A53 PolarHBondContact O-N 2.94Å; A53-C57 PolarHBondContact O-N 3.24Å; A53-Y63 HydrophobicContact CB-CD2 3.93Å; A53-Y63 HydrophobicContact CB-CE2 4.23Å; A53-Y63 HydrophobicContact CB-CG 4.12Å; A53-Y63 WeakPolarHBondContact O-CD2 3.35Å
54	I	97.8	Very high	97.1	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-41.5	176.4	-70.8	164.9	0	0	0	111.5	Y50 T51 K52 M56 C57 P58 Y64 R67	Y50-I54 VanDerWaalsContact O-CG1 3.3Å; Y50-I54 WeakPolarHBondContact O-CG1 3.47Å; Y50-I54 PolarHBondContact O-N 3.14Å; T51-I54 WeakPolarHBondContact O-CB 2.99Å; T51-I54 PolarHBondContact O-N 3.38Å; T51-I54 VanDerWaalsContact O-N 3.08Å; K52-I54 VanDerWaalsContact C-N 3.32Å; K52-I54 PolarHBondContact O-N 3.05Å; I54-M56 VanDerWaalsContact C-N 3.26Å; I54-M56 PolarHBondContact O-N 3.1Å; I54-C57 CarbonylContact O-C 3.4Å; I54-C57 VanDerWaalsContact O-C 3.25Å; I54-C57 PolarHBondContact O-N 2.83Å; I54-P58 WeakPolarHBondContact O-CA 3.47Å; I54-P58 WeakPolarHBondContact O-CD 3.38Å; I54-Y64 HydrophobicContact CD1-CD1 3.86Å; I54-Y64 HydrophobicContact CD1-CE1 4.1Å; I54-Y64 HydrophobicContact CD1-CG 4.12Å; I54-Y64 HydrophobicContact CG1-CD1 4.45Å; I54-Y64 HydrophobicContact CG1-CD2 4.43Å; I54-Y64 HydrophobicContact CG1-CE1 4.39Å; I54-Y64 HydrophobicContact CG1-CE2 4.36Å; I54-Y64 HydrophobicContact CG1-CG 4.47Å; I54-Y64 HydrophobicContact CG2-CE1 3.75Å; I54-Y64 HydrophobicContact CG2-CE2 4.19Å; I54-Y64 WeakPolarHBondContact CG2-OH 3.42Å; I54-R67 HydrophobicContact CD1-CB 4.16Å
55	D	96.9	Very high	97.1	Very high	117 Å²	117	43.8 Å²	43.8	63%	0.626	22%	0.221	S	C	*	.	H	α-helix	trans	-62.4	-36.7	179.4	-66	-23.1	0	0	0	111.3	T51 K52	T51-D55 VanDerWaalsContact O-CG 3.23Å; T51-D55 PolarHBondContact O-N 3Å; K52-D55 PolarHBondContact O-N 3.34Å
56	M	94.3	Very high	97.1	Very high	59 Å²	59	42.1 Å²	42.1	29%	0.291	22%	0.215	S	C	.	.	H	α-helix	trans	-72.9	-46.2	175.2	-65.2	-67.8	-78	0	0	112	L18 I23 D26 A27 F30 K52 I54	L18-M56 HydrophobicContact CD1-CE 4.4Å; I23-M56 HydrophobicContact CB-CE 4.41Å; I23-M56 HydrophobicContact CG1-CE 4.5Å; I23-M56 HydrophobicContact CG2-CB 4.19Å; I23-M56 HydrophobicContact CG2-CE 4.04Å; I23-M56 WeakPolarHBondContact CG2-O 3.41Å; D26-M56 HydrophobicContact CB-CE 3.88Å; A27-M56 HydrophobicContact CB-CB 3.79Å; F30-M56 HydrophobicContact CD2-CG 4.28Å; F30-M56 HydrophobicContact CE2-CG 4.2Å; K52-M56 VanDerWaalsContact O-CG 3.27Å; K52-M56 WeakPolarHBondContact O-CG 3.48Å; K52-M56 PolarHBondContact O-N 3.38Å; K52-M56 VanDerWaalsContact O-N 3.12Å; I54-M56 VanDerWaalsContact C-N 3.26Å; I54-M56 PolarHBondContact O-N 3.1Å
57	C	94.1	Very high	97.1	Very high	20 Å²	20	43.8 Å²	43.8	14%	0.135	22%	0.221	C	C	.	.			trans	-132.2	80.7	-175.3	-68.9	0	0	0	0	111.7	A27 A53 I54 K59 N60 Y63	A27-C57 HydrophobicContact CB-CB 4.02Å; A27-C57 VanDerWaalsContact CB-SG 3.55Å; A53-C57 PolarHBondContact O-N 3.24Å; I54-C57 CarbonylContact O-C 3.4Å; I54-C57 VanDerWaalsContact O-C 3.25Å; I54-C57 PolarHBondContact O-N 2.83Å; C57-K59 PolarHBondContact O-N 3.3Å; C57-K59 VanDerWaalsContact O-N 3.07Å; C57-N60 PolarHBondContact O-N 3.44Å; C57-Y63 HydrophobicContact CB-CD2 4.37Å; C57-Y63 HydrophobicContact CB-CE2 3.81Å
58	P	95.5	Very high	97.1	Very high	70 Å²	70	41.9 Å²	41.9	46%	0.455	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.8	-170.6	27.8	-36.5	0	0	0	114.6	I54 Y64	I54-P58 WeakPolarHBondContact O-CA 3.47Å; I54-P58 WeakPolarHBondContact O-CD 3.38Å; P58-Y64 WeakPolarHBondContact O-CE2 2.87Å; P58-Y64 PolarHBondContact O-OH 2.8Å
59	K	95.2	Very high	97.1	Very high	180 Å²	180	39.3 Å²	39.3	78%	0.783	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	0.5	-179.2	-65.3	-178.4	-178.4	173.1	0	113.7	C57 A61 L90	C57-K59 PolarHBondContact O-N 3.3Å; C57-K59 VanDerWaalsContact O-N 3.07Å; K59-A61 PolarHBondContact O-N 3.25Å; K59-L90 HydrophobicContact CB-CD2 4.47Å
60	N	95.3	Very high	97.1	Very high	54 Å²	54	37.2 Å²	37.2	29%	0.289	19%	0.192	S	C	.	.			trans	-87.8	111.7	179.7	-170.6	-35.4	0	0	0	111.3	C57 S62 Y63 Y64	C57-N60 PolarHBondContact O-N 3.44Å; N60-S62 VanDerWaalsContact C-N 3.26Å; N60-S62 PolarHBondContact O-N 3.14Å; N60-S62 WeakPolarHBondContact OD1-CB 3.41Å; N60-S62 PolarHBondContact OD1-N 3.1Å; N60-S62 PolarHBondContact OD1-OG 3.02Å; N60-Y63 HydrophobicContact CB-CD1 4.48Å; N60-Y63 HydrophobicContact CB-CD2 3.6Å; N60-Y63 HydrophobicContact CB-CE1 4.49Å; N60-Y63 HydrophobicContact CB-CE2 3.65Å; N60-Y63 HydrophobicContact CB-CG 4.04Å; N60-Y63 WeakPolarHBondContact ND2-CE1 3.28Å; N60-Y63 PolarHBondContact ND2-OH 3.39Å; N60-Y63 PolarHBondContact O-N 2.88Å; N60-Y64 WeakPolarHBondContact O-CD2 3.37Å
61	A	96.6	Very high	97.1	Very high	10 Å²	10	37.1 Å²	37.1	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-34	-178.8	0	0	0	0	0	113.8	K59 Y63 G65 A87 L90 D91 F94	K59-A61 PolarHBondContact O-N 3.25Å; A61-Y63 VanDerWaalsContact C-N 3.29Å; A61-Y63 PolarHBondContact O-N 3.1Å; A61-G65 PolarHBondContact O-N 3.18Å; A61-A87 WeakPolarHBondContact CB-O 3.36Å; A61-A87 WeakPolarHBondContact O-CB 3.34Å; A61-L90 HydrophobicContact CB-CB 3.87Å; A61-D91 HydrophobicContact CB-CB 3.74Å; A61-F94 HydrophobicContact CB-CD1 4.48Å
62	S	96.4	Very high	97	Very high	37 Å²	37	37.3 Å²	37.3	26%	0.259	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-32.3	-174.9	74.2	0	0	0	0	112.7	N60 G65 N66	N60-S62 VanDerWaalsContact C-N 3.26Å; N60-S62 PolarHBondContact O-N 3.14Å; N60-S62 WeakPolarHBondContact OD1-CB 3.41Å; N60-S62 PolarHBondContact OD1-N 3.1Å; N60-S62 PolarHBondContact OD1-OG 3.02Å; S62-G65 PolarHBondContact O-N 3.27Å; S62-N66 VanDerWaalsContact O-CG 3.31Å; S62-N66 PolarHBondContact O-N 3.35Å
63	Y	97.6	Very high	97	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-69.5	-46.6	-177.9	-57	-15.5	0	0	0	110.9	A27 E28 K31 A53 C57 N60 A61 G65 N66 R67	A27-Y63 HydrophobicContact CB-CE2 3.89Å; E28-Y63 PolarHBondContact OE2-OH 2.76Å; K31-Y63 HydrophobicContact CB-CD1 4.17Å; K31-Y63 HydrophobicContact CB-CE1 3.91Å; K31-Y63 HydrophobicContact CD-CD1 4.09Å; K31-Y63 HydrophobicContact CD-CE1 3.75Å; K31-Y63 HydrophobicContact CG-CD1 3.87Å; K31-Y63 HydrophobicContact CG-CE1 3.87Å; A53-Y63 HydrophobicContact CB-CD2 3.93Å; A53-Y63 HydrophobicContact CB-CE2 4.23Å; A53-Y63 HydrophobicContact CB-CG 4.12Å; A53-Y63 WeakPolarHBondContact O-CD2 3.35Å; C57-Y63 HydrophobicContact CB-CD2 4.37Å; C57-Y63 HydrophobicContact CB-CE2 3.81Å; N60-Y63 HydrophobicContact CB-CD1 4.48Å; N60-Y63 HydrophobicContact CB-CD2 3.6Å; N60-Y63 HydrophobicContact CB-CE1 4.49Å; N60-Y63 HydrophobicContact CB-CE2 3.65Å; N60-Y63 HydrophobicContact CB-CG 4.04Å; N60-Y63 WeakPolarHBondContact ND2-CE1 3.28Å; N60-Y63 PolarHBondContact ND2-OH 3.39Å; N60-Y63 PolarHBondContact O-N 2.88Å; A61-Y63 VanDerWaalsContact C-N 3.29Å; A61-Y63 PolarHBondContact O-N 3.1Å; Y63-G65 VanDerWaalsContact C-N 3.31Å; Y63-G65 PolarHBondContact O-N 3.15Å; Y63-N66 PolarHBondContact O-N 3.01Å; Y63-R67 PolarHBondContact O-N 3.09Å
64	Y	98.4	Very high	96.9	Very high	25 Å²	25	40 Å²	40	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-42	171	-65.1	-87.1	0	0	0	111.5	I54 P58 N60 N66 R67 A68 D83 Q86 L90	I54-Y64 HydrophobicContact CD1-CD1 3.86Å; I54-Y64 HydrophobicContact CD1-CE1 4.1Å; I54-Y64 HydrophobicContact CD1-CG 4.12Å; I54-Y64 HydrophobicContact CG1-CD1 4.45Å; I54-Y64 HydrophobicContact CG1-CD2 4.43Å; I54-Y64 HydrophobicContact CG1-CE1 4.39Å; I54-Y64 HydrophobicContact CG1-CE2 4.36Å; I54-Y64 HydrophobicContact CG1-CG 4.47Å; I54-Y64 HydrophobicContact CG2-CE1 3.75Å; I54-Y64 HydrophobicContact CG2-CE2 4.19Å; I54-Y64 WeakPolarHBondContact CG2-OH 3.42Å; P58-Y64 WeakPolarHBondContact O-CE2 2.87Å; P58-Y64 PolarHBondContact O-OH 2.8Å; N60-Y64 WeakPolarHBondContact O-CD2 3.37Å; Y64-N66 VanDerWaalsContact C-N 3.33Å; Y64-N66 PolarHBondContact O-N 3.34Å; Y64-R67 PolarHBondContact O-N 3.31Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.29Å; Y64-A68 PolarHBondContact O-N 2.98Å; Y64-D83 WeakPolarHBondContact CB-O 3.4Å; Y64-Q86 HydrophobicContact CD1-CB 4.03Å; Y64-Q86 HydrophobicContact CD1-CG 3.73Å; Y64-Q86 HydrophobicContact CD2-CG 4.21Å; Y64-Q86 HydrophobicContact CE1-CB 4.37Å; Y64-Q86 HydrophobicContact CE1-CG 3.64Å; Y64-Q86 HydrophobicContact CE2-CG 4.15Å; Y64-Q86 HydrophobicContact CG-CB 4.31Å; Y64-Q86 HydrophobicContact CG-CG 4.01Å; Y64-L90 HydrophobicContact CD2-CD1 3.67Å; Y64-L90 HydrophobicContact CE2-CD1 3.55Å
65	G	97.6	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-41.8	175.8	0	0	0	0	0	113.5	A61 S62 Y63 A69 R100	A61-G65 PolarHBondContact O-N 3.18Å; S62-G65 PolarHBondContact O-N 3.27Å; Y63-G65 VanDerWaalsContact C-N 3.31Å; Y63-G65 PolarHBondContact O-N 3.15Å; G65-A69 PolarHBondContact O-N 2.98Å; G65-A69 VanDerWaalsContact O-N 3.1Å; G65-R100 WeakPolarHBondContact O-CD 3.3Å; G65-R100 PolarHBondContact O-NE 2.8Å; G65-R100 PolarHBondContact O-NH1 2.94Å
66	N	97.8	Very high	96.7	Very high	29 Å²	29	42.4 Å²	42.4	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-74.3	-36.5	179.7	-70.1	-12.3	0	0	0	112.3	Y50 S62 Y63 Y64 A69 T70	Y50-N66 HydrophobicContact CD1-CB 3.86Å; Y50-N66 HydrophobicContact CD2-CB 4.4Å; Y50-N66 HydrophobicContact CE1-CB 3.54Å; Y50-N66 HydrophobicContact CE2-CB 4.14Å; Y50-N66 HydrophobicContact CG-CB 4.29Å; S62-N66 VanDerWaalsContact O-CG 3.31Å; S62-N66 PolarHBondContact O-N 3.35Å; Y63-N66 PolarHBondContact O-N 3.01Å; Y64-N66 VanDerWaalsContact C-N 3.33Å; Y64-N66 PolarHBondContact O-N 3.34Å; N66-A69 PolarHBondContact O-N 3.42Å; N66-T70 PolarHBondContact O-N 2.9Å; N66-T70 VanDerWaalsContact O-N 3.1Å; N66-T70 PolarHBondContact O-OG1 2.98Å
67	R	98.4	Very high	96.8	Very high	35 Å²	35	41.2 Å²	41.2	13%	0.132	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-41	172	-163.2	170.3	68.9	-176.8	-3.8	111.6	F47 Y50 T51 I54 Y63 Y64 A69 T70 L71 D83	F47-R67 HydrophobicContact CD2-CG 3.63Å; F47-R67 HydrophobicContact CE2-CG 3.85Å; Y50-R67 HydrophobicContact CG-CB 4.47Å; T51-R67 WeakPolarHBondContact OG1-CD 3.37Å; T51-R67 PolarHBondContact OG1-NH1 3.38Å; I54-R67 HydrophobicContact CD1-CB 4.16Å; Y63-R67 PolarHBondContact O-N 3.09Å; Y64-R67 PolarHBondContact O-N 3.31Å; R67-A69 PolarHBondContact O-N 2.96Å; R67-T70 WeakPolarHBondContact O-CA 3.4Å; R67-T70 WeakPolarHBondContact O-CB 3.42Å; R67-T70 PolarHBondContact O-N 3.28Å; R67-T70 VanDerWaalsContact O-N 3.12Å; R67-L71 HydrophobicContact CG-CD1 4.29Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 3.29Å; R67-D83 WeakPolarHBondContact CB-OD2 3.36Å; R67-D83 WeakPolarHBondContact CG-OD2 3.22Å; R67-D83 IonicContact CZ-OD1 3.56Å; R67-D83 IonicContact CZ-OD2 2.75Å; R67-D83 IonicContact NE-OD1 3.71Å; R67-D83 IonicContact NE-OD2 2.75Å; R67-D83 PolarHBondContact NE-OD2 3.12Å; R67-D83 IonicContact NH2-OD1 3.84Å; R67-D83 PolarHBondContact NH2-OD1 2.99Å; R67-D83 IonicContact NH2-OD2 2.77Å
68	A	98.4	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-46.7	172.4	0	0	0	0	0	112.2	Y64 T70 L71 M72 A80 D83 S84	Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.29Å; Y64-A68 PolarHBondContact O-N 2.98Å; A68-T70 VanDerWaalsContact C-N 3.27Å; A68-T70 PolarHBondContact O-N 3.33Å; A68-L71 PolarHBondContact O-N 3.4Å; A68-M72 VanDerWaalsContact O-CG 3.3Å; A68-M72 WeakPolarHBondContact O-CG 3.4Å; A68-M72 PolarHBondContact O-N 3.03Å; A68-A80 WeakPolarHBondContact CB-O 3.2Å; A68-D83 HydrophobicContact CB-CB 3.78Å; A68-S84 VanDerWaalsContact CB-OG 3.3Å; A68-S84 WeakPolarHBondContact CB-OG 3.4Å
69	A	98	Very high	97	Very high	9 Å²	9	49 Å²	49	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-41.9	176.1	0	0	0	0	0	111.9	Y38 G65 N66 R67 M72 M73	Y38-A69 HydrophobicContact CE2-CB 4.24Å; G65-A69 PolarHBondContact O-N 2.98Å; G65-A69 VanDerWaalsContact O-N 3.1Å; N66-A69 PolarHBondContact O-N 3.42Å; R67-A69 PolarHBondContact O-N 2.96Å; A69-M72 WeakPolarHBondContact O-CB 3.35Å; A69-M72 PolarHBondContact O-N 3.48Å; A69-M73 WeakPolarHBondContact O-CG 3.44Å; A69-M73 PolarHBondContact O-N 2.71Å
70	T	98.2	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-45	176.4	-52.4	0	0	0	0	112	Y38 Y43 A46 F47 Y50 N66 R67 A68 M72 M73 L74	Y38-T70 WeakPolarHBondContact CD2-OG1 3.29Å; Y43-T70 HydrophobicContact CD1-CG2 4.38Å; Y43-T70 WeakPolarHBondContact O-CG2 3.28Å; A46-T70 HydrophobicContact CB-CG2 3.89Å; F47-T70 HydrophobicContact CB-CG2 4.01Å; Y50-T70 WeakPolarHBondContact CD2-OG1 3.39Å; Y50-T70 WeakPolarHBondContact CE2-OG1 3.4Å; N66-T70 PolarHBondContact O-N 2.9Å; N66-T70 VanDerWaalsContact O-N 3.1Å; N66-T70 PolarHBondContact O-OG1 2.98Å; R67-T70 WeakPolarHBondContact O-CA 3.4Å; R67-T70 WeakPolarHBondContact O-CB 3.42Å; R67-T70 PolarHBondContact O-N 3.28Å; R67-T70 VanDerWaalsContact O-N 3.12Å; A68-T70 VanDerWaalsContact C-N 3.27Å; A68-T70 PolarHBondContact O-N 3.33Å; T70-M72 VanDerWaalsContact C-N 3.32Å; T70-M72 PolarHBondContact O-N 2.98Å; T70-M73 WeakPolarHBondContact O-CB 3.16Å; T70-M73 PolarHBondContact O-N 3.12Å; T70-M73 VanDerWaalsContact O-N 3.14Å; T70-L74 PolarHBondContact O-N 2.66Å; T70-L74 VanDerWaalsContact O-N 3.1Å
71	L	98.4	Very high	97.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-36.5	176.7	-73.6	166.9	0	0	0	112.3	F47 R67 A68 M73 L74 C75 R76 E79 A80 D83	F47-L71 HydrophobicContact CD2-CD1 4.47Å; F47-L71 HydrophobicContact CD2-CD2 3.7Å; F47-L71 HydrophobicContact CD2-CG 3.94Å; F47-L71 HydrophobicContact CE2-CD1 4.15Å; F47-L71 HydrophobicContact CE2-CD2 3.63Å; F47-L71 HydrophobicContact CE2-CG 4.03Å; R67-L71 HydrophobicContact CG-CD1 4.29Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 3.29Å; A68-L71 PolarHBondContact O-N 3.4Å; L71-M73 VanDerWaalsContact C-N 3.34Å; L71-M73 PolarHBondContact O-N 3.42Å; L71-L74 CarbonylContact O-C 3.45Å; L71-L74 PolarHBondContact O-N 3.16Å; L71-C75 PolarHBondContact O-N 3.47Å; L71-R76 HydrophobicContact CB-CB 4.34Å; L71-R76 HydrophobicContact CD2-CB 3.91Å; L71-R76 PolarHBondContact O-N 3.04Å; L71-E79 HydrophobicContact CD1-CB 3.9Å; L71-E79 HydrophobicContact CD2-CB 4.26Å; L71-A80 HydrophobicContact CB-CB 3.67Å; L71-D83 WeakPolarHBondContact CD1-OD2 3.43Å
72	M	97.6	Very high	97.4	Very high	33 Å²	33	44.1 Å²	44.1	16%	0.163	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-41.1	172.5	-68	170.6	71.3	0	0	111.8	A68 A69 T70 L74 C75 A80 R100 K103	A68-M72 VanDerWaalsContact O-CG 3.3Å; A68-M72 WeakPolarHBondContact O-CG 3.4Å; A68-M72 PolarHBondContact O-N 3.03Å; A69-M72 WeakPolarHBondContact O-CB 3.35Å; A69-M72 PolarHBondContact O-N 3.48Å; T70-M72 VanDerWaalsContact C-N 3.32Å; T70-M72 PolarHBondContact O-N 2.98Å; M72-L74 PolarHBondContact O-N 3.2Å; M72-C75 PolarHBondContact O-N 2.95Å; M72-A80 HydrophobicContact CG-CB 3.72Å; M72-R100 HydrophobicContact SD-CB 4.17Å; M72-R100 HydrophobicContact SD-CG 4.17Å; M72-K103 HydrophobicContact CE-CB 3.58Å; M72-K103 HydrophobicContact CE-CD 4.08Å; M72-K103 HydrophobicContact CE-CG 4.49Å
73	M	97.1	Very high	97.5	Very high	91 Å²	91	43 Å²	43	45%	0.448	20%	0.201	S	C	.	.	H	α-helix	trans	-67.9	-25.5	176.4	-63.9	-50.2	-58.4	0	0	113	Y38 Y43 A69 T70 L71 C75	Y38-M73 HydrophobicContact CE2-CG 4.09Å; Y43-M73 HydrophobicContact CD1-CB 3.72Å; Y43-M73 HydrophobicContact CD1-CG 4.07Å; Y43-M73 HydrophobicContact CD2-CB 3.73Å; Y43-M73 HydrophobicContact CE1-CB 3.71Å; Y43-M73 HydrophobicContact CE1-CG 3.67Å; Y43-M73 HydrophobicContact CE2-CB 3.72Å; Y43-M73 HydrophobicContact CE2-CE 4.14Å; Y43-M73 HydrophobicContact CE2-CG 4.31Å; Y43-M73 HydrophobicContact CG-CB 3.74Å; Y43-M73 WeakPolarHBondContact OH-CE 3.39Å; A69-M73 WeakPolarHBondContact O-CG 3.44Å; A69-M73 PolarHBondContact O-N 2.71Å; T70-M73 WeakPolarHBondContact O-CB 3.16Å; T70-M73 PolarHBondContact O-N 3.12Å; T70-M73 VanDerWaalsContact O-N 3.14Å; L71-M73 VanDerWaalsContact C-N 3.34Å; L71-M73 PolarHBondContact O-N 3.42Å; M73-C75 VanDerWaalsContact C-N 3.28Å
74	L	96	Very high	97.5	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.288	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.6	171.2	-67	171.4	0	0	0	113.3	T70 L71 M72 R76	T70-L74 PolarHBondContact O-N 2.66Å; T70-L74 VanDerWaalsContact O-N 3.1Å; L71-L74 CarbonylContact O-C 3.45Å; L71-L74 PolarHBondContact O-N 3.16Å; M72-L74 PolarHBondContact O-N 3.2Å; L74-R76 HydrophobicContact CB-CG 4.19Å; L74-R76 PolarHBondContact O-N 3.25Å
75	C	94.3	Very high	97.5	Very high	87 Å²	87	44.2 Å²	44.2	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	20.4	-174.2	-59.2	0	0	0	0	114.5	L71 M72 M73 Y77	L71-C75 PolarHBondContact O-N 3.47Å; M72-C75 PolarHBondContact O-N 2.95Å; M73-C75 VanDerWaalsContact C-N 3.28Å; C75-Y77 VanDerWaalsContact C-N 3.27Å; C75-Y77 HydrophobicContact CB-CD2 4.49Å; C75-Y77 HydrophobicContact CB-CE2 3.87Å; C75-Y77 VanDerWaalsContact O-CD2 3.25Å; C75-Y77 WeakPolarHBondContact O-CD2 3.4Å; C75-Y77 PolarHBondContact O-N 3.3Å; C75-Y77 VanDerWaalsContact O-N 3.16Å
76	R	95.8	Very high	97.6	Very high	89 Å²	89	46.7 Å²	46.7	34%	0.336	22%	0.219	S	C	.	.			trans	-89.7	59.2	177.5	-68.1	169	69.8	-177.7	3.5	110.4	L71 L74 R78 E79 A80	L71-R76 HydrophobicContact CB-CB 4.34Å; L71-R76 HydrophobicContact CD2-CB 3.91Å; L71-R76 PolarHBondContact O-N 3.04Å; L74-R76 HydrophobicContact CB-CG 4.19Å; L74-R76 PolarHBondContact O-N 3.25Å; R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 3.32Å; R76-E79 IonicContact CZ-OE1 3.59Å; R76-E79 VanDerWaalsContact CZ-OE1 3.25Å; R76-E79 IonicContact CZ-OE2 3.4Å; R76-E79 IonicContact NE-OE1 3.93Å; R76-E79 PolarHBondContact NE-OE1 2.62Å; R76-E79 IonicContact NE-OE2 2.84Å; R76-E79 IonicContact NH2-OE1 3.74Å; R76-E79 PolarHBondContact NH2-OE1 2.87Å; R76-E79 IonicContact NH2-OE2 2.69Å; R76-E79 PolarHBondContact NH2-OE2 3.3Å; R76-E79 PolarHBondContact O-N 2.83Å; R76-A80 WeakPolarHBondContact O-CB 3.46Å; R76-A80 PolarHBondContact O-N 3.43Å
77	Y	96.8	Very high	97.6	Very high	35 Å²	35	45.3 Å²	45.3	14%	0.137	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-28.3	-168.9	-62.3	-77.2	0	0	0	115.1	C75 L81 S107 A173	C75-Y77 VanDerWaalsContact C-N 3.27Å; C75-Y77 HydrophobicContact CB-CD2 4.49Å; C75-Y77 HydrophobicContact CB-CE2 3.87Å; C75-Y77 VanDerWaalsContact O-CD2 3.25Å; C75-Y77 WeakPolarHBondContact O-CD2 3.4Å; C75-Y77 PolarHBondContact O-N 3.3Å; C75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-L81 WeakPolarHBondContact O-CB 3.46Å; Y77-L81 PolarHBondContact O-N 2.68Å; Y77-S107 WeakPolarHBondContact CE1-OG 3.26Å; Y77-A173 HydrophobicContact CD2-CB 3.39Å; Y77-A173 HydrophobicContact CE2-CB 3.65Å; Y77-A173 HydrophobicContact CG-CB 4.31Å
78	R	95.9	Very high	97.5	Very high	179 Å²	179	44.3 Å²	44.3	68%	0.675	21%	0.21	S	C	*	.	H	α-helix	trans	-68.1	-47.5	176.7	-70.7	-172	-177.6	-171.3	2	111.4	R76 A80 L81 E82 L108	R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 3.32Å; R78-A80 VanDerWaalsContact C-N 3.35Å; R78-L81 WeakPolarHBondContact O-CB 3.35Å; R78-L81 PolarHBondContact O-N 2.77Å; R78-E82 PolarHBondContact O-N 2.96Å; R78-L108 HydrophobicContact CG-CD1 4.28Å; R78-L108 HydrophobicContact CG-CD2 4.02Å
79	E	97.8	Very high	97.5	Very high	74 Å²	74	52 Å²	52	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-68.3	-38	177.4	-60.9	176	-98.1	0	0	111.1	L71 R76 L81 E82 D83	L71-E79 HydrophobicContact CD1-CB 3.9Å; L71-E79 HydrophobicContact CD2-CB 4.26Å; R76-E79 IonicContact CZ-OE1 3.59Å; R76-E79 VanDerWaalsContact CZ-OE1 3.25Å; R76-E79 IonicContact CZ-OE2 3.4Å; R76-E79 IonicContact NE-OE1 3.93Å; R76-E79 PolarHBondContact NE-OE1 2.62Å; R76-E79 IonicContact NE-OE2 2.84Å; R76-E79 IonicContact NH2-OE1 3.74Å; R76-E79 PolarHBondContact NH2-OE1 2.87Å; R76-E79 IonicContact NH2-OE2 2.69Å; R76-E79 PolarHBondContact NH2-OE2 3.3Å; R76-E79 PolarHBondContact O-N 2.83Å; E79-L81 VanDerWaalsContact C-N 3.25Å; E79-L81 PolarHBondContact O-N 3.28Å; E79-E82 PolarHBondContact O-N 2.82Å; E79-D83 PolarHBondContact O-N 3.35Å
80	A	98.3	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-35.3	173.3	0	0	0	0	0	112.8	A68 L71 M72 R76 R78 S84 C104	A68-A80 WeakPolarHBondContact CB-O 3.2Å; L71-A80 HydrophobicContact CB-CB 3.67Å; M72-A80 HydrophobicContact CG-CB 3.72Å; R76-A80 WeakPolarHBondContact O-CB 3.46Å; R76-A80 PolarHBondContact O-N 3.43Å; R78-A80 VanDerWaalsContact C-N 3.35Å; A80-S84 WeakPolarHBondContact O-CB 3.49Å; A80-S84 PolarHBondContact O-N 3.39Å; A80-S84 PolarHBondContact O-OG 2.96Å; A80-C104 VanDerWaalsContact CB-SG 3.57Å
81	L	98.3	Very high	97.4	Very high	21 Å²	21	57.3 Å²	57.3	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-45.5	176.1	179.7	61.9	0	0	0	111	Y77 R78 E79 D83 S84 Q85 E101 C104 L108	Y77-L81 WeakPolarHBondContact O-CB 3.46Å; Y77-L81 PolarHBondContact O-N 2.68Å; R78-L81 WeakPolarHBondContact O-CB 3.35Å; R78-L81 PolarHBondContact O-N 2.77Å; E79-L81 VanDerWaalsContact C-N 3.25Å; E79-L81 PolarHBondContact O-N 3.28Å; L81-D83 PolarHBondContact O-N 2.88Å; L81-S84 PolarHBondContact O-N 3.36Å; L81-Q85 HydrophobicContact CD1-CG 4.28Å; L81-Q85 WeakPolarHBondContact O-CB 3.26Å; L81-Q85 VanDerWaalsContact O-CG 3.3Å; L81-Q85 WeakPolarHBondContact O-CG 3.45Å; L81-Q85 PolarHBondContact O-N 3.04Å; L81-E101 HydrophobicContact CD1-CG 3.71Å; L81-C104 HydrophobicContact CB-CB 3.85Å; L81-C104 HydrophobicContact CD1-CB 3.95Å; L81-C104 HydrophobicContact CG-CB 4.48Å; L81-L108 HydrophobicContact CD2-CD1 4.01Å
82	E	98.3	Very high	97.2	Very high	120 Å²	120	61.9 Å²	61.9	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-59.3	-46.6	177.7	-69.1	170.3	-169.7	0	0	111.8	R78 E79 Q85 Q86	R78-E82 PolarHBondContact O-N 2.96Å; E79-E82 PolarHBondContact O-N 2.82Å; E82-Q85 PolarHBondContact O-N 3.04Å; E82-Q86 WeakPolarHBondContact O-CB 3.38Å; E82-Q86 PolarHBondContact O-N 2.77Å
83	D	98.4	Very high	97.1	Very high	13 Å²	13	63.9 Å²	63.9	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-41.1	176.3	-86.9	-8	0	0	0	111.9	Y64 R67 A68 L71 E79 L81 Q86 A87	Y64-D83 WeakPolarHBondContact CB-O 3.4Å; R67-D83 WeakPolarHBondContact CB-OD2 3.36Å; R67-D83 WeakPolarHBondContact CG-OD2 3.22Å; R67-D83 IonicContact CZ-OD1 3.56Å; R67-D83 IonicContact CZ-OD2 2.75Å; R67-D83 IonicContact NE-OD1 3.71Å; R67-D83 IonicContact NE-OD2 2.75Å; R67-D83 PolarHBondContact NE-OD2 3.12Å; R67-D83 IonicContact NH2-OD1 3.84Å; R67-D83 PolarHBondContact NH2-OD1 2.99Å; R67-D83 IonicContact NH2-OD2 2.77Å; A68-D83 HydrophobicContact CB-CB 3.78Å; L71-D83 WeakPolarHBondContact CD1-OD2 3.43Å; E79-D83 PolarHBondContact O-N 3.35Å; L81-D83 PolarHBondContact O-N 2.88Å; D83-Q86 PolarHBondContact O-N 2.8Å; D83-A87 PolarHBondContact O-N 3.31Å
84	S	98.3	Very high	97	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-42.7	177.7	-58.4	0	0	0	0	111.3	A68 A80 L81 Q86 A87 V88 R100	A68-S84 VanDerWaalsContact CB-OG 3.3Å; A68-S84 WeakPolarHBondContact CB-OG 3.4Å; A80-S84 WeakPolarHBondContact O-CB 3.49Å; A80-S84 PolarHBondContact O-N 3.39Å; A80-S84 PolarHBondContact O-OG 2.96Å; L81-S84 PolarHBondContact O-N 3.36Å; S84-Q86 VanDerWaalsContact C-N 3.32Å; S84-Q86 PolarHBondContact O-N 2.9Å; S84-A87 WeakPolarHBondContact O-CB 3.37Å; S84-A87 PolarHBondContact O-N 2.93Å; S84-V88 WeakPolarHBondContact O-CG2 3.36Å; S84-V88 PolarHBondContact O-N 3.43Å; S84-R100 WeakPolarHBondContact OG-CB 3.5Å
85	Q	98.4	Very high	97	Very high	57 Å²	57	62 Å²	62	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-39.3	174.5	-76	178.3	-15.8	0	0	111.8	L81 E82 V88 R89 E101	L81-Q85 HydrophobicContact CD1-CG 4.28Å; L81-Q85 WeakPolarHBondContact O-CB 3.26Å; L81-Q85 VanDerWaalsContact O-CG 3.3Å; L81-Q85 WeakPolarHBondContact O-CG 3.45Å; L81-Q85 PolarHBondContact O-N 3.04Å; E82-Q85 PolarHBondContact O-N 3.04Å; Q85-V88 PolarHBondContact O-N 3.48Å; Q85-R89 WeakPolarHBondContact O-CB 3.44Å; Q85-R89 WeakPolarHBondContact O-CG 3.48Å; Q85-R89 PolarHBondContact O-N 3.14Å; Q85-E101 HydrophobicContact CG-CG 3.94Å; Q85-E101 WeakPolarHBondContact CG-OE1 3.48Å
86	Q	98.3	Very high	97	Very high	51 Å²	51	64.3 Å²	64.3	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-41.5	175.6	-175.1	59.6	14	0	0	111.8	Y64 E82 D83 S84 V88 R89 L90	Y64-Q86 HydrophobicContact CD1-CB 4.03Å; Y64-Q86 HydrophobicContact CD1-CG 3.73Å; Y64-Q86 HydrophobicContact CD2-CG 4.21Å; Y64-Q86 HydrophobicContact CE1-CB 4.37Å; Y64-Q86 HydrophobicContact CE1-CG 3.64Å; Y64-Q86 HydrophobicContact CE2-CG 4.15Å; Y64-Q86 HydrophobicContact CG-CB 4.31Å; Y64-Q86 HydrophobicContact CG-CG 4.01Å; E82-Q86 WeakPolarHBondContact O-CB 3.38Å; E82-Q86 PolarHBondContact O-N 2.77Å; D83-Q86 PolarHBondContact O-N 2.8Å; S84-Q86 VanDerWaalsContact C-N 3.32Å; S84-Q86 PolarHBondContact O-N 2.9Å; Q86-V88 VanDerWaalsContact C-N 3.34Å; Q86-V88 PolarHBondContact O-N 3.08Å; Q86-R89 PolarHBondContact O-N 3.34Å; Q86-R89 VanDerWaalsContact OE1-CZ 3.27Å; Q86-L90 HydrophobicContact CG-CD1 4.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.14Å; Q86-L90 PolarHBondContact O-N 2.94Å
87	A	98	Very high	97.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-45.6	175.2	0	0	0	0	0	111.6	A61 D83 S84 L90 D91 F94	A61-A87 WeakPolarHBondContact CB-O 3.36Å; A61-A87 WeakPolarHBondContact O-CB 3.34Å; D83-A87 PolarHBondContact O-N 3.31Å; S84-A87 WeakPolarHBondContact O-CB 3.37Å; S84-A87 PolarHBondContact O-N 2.93Å; A87-L90 PolarHBondContact O-N 3.5Å; A87-D91 PolarHBondContact O-N 3.4Å; A87-F94 HydrophobicContact CB-CD1 3.88Å; A87-F94 HydrophobicContact CB-CE1 3.98Å
88	V	97.4	Very high	97.1	Very high	15 Å²	15	58.9 Å²	58.9	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-34.8	177.5	169.7	0	0	0	0	112.4	S84 Q85 Q86 D91 N92 G97 H98	S84-V88 WeakPolarHBondContact O-CG2 3.36Å; S84-V88 PolarHBondContact O-N 3.43Å; Q85-V88 PolarHBondContact O-N 3.48Å; Q86-V88 VanDerWaalsContact C-N 3.34Å; Q86-V88 PolarHBondContact O-N 3.08Å; V88-D91 CarbonylContact O-C 3.48Å; V88-N92 VanDerWaalsContact O-CA 3.29Å; V88-N92 WeakPolarHBondContact O-CA 3.37Å; V88-N92 PolarHBondContact O-N 3.5Å; V88-N92 VanDerWaalsContact O-N 3.15Å; V88-G97 VanDerWaalsContact CG2-C 3.49Å; V88-H98 WeakPolarHBondContact CG1-CE1 3.44Å
89	R	97.8	Very high	97.2	Very high	160 Å²	160	51.3 Å²	51.3	60%	0.604	25%	0.249	S	C	*	.	H	α-helix	trans	-65.2	-38.5	173.8	-79.2	-171	-66	-102.5	2.5	112.5	Q85 Q86	Q85-R89 WeakPolarHBondContact O-CB 3.44Å; Q85-R89 WeakPolarHBondContact O-CG 3.48Å; Q85-R89 PolarHBondContact O-N 3.14Å; Q86-R89 PolarHBondContact O-N 3.34Å; Q86-R89 VanDerWaalsContact OE1-CZ 3.27Å
90	L	97.5	Very high	97.2	Very high	63 Å²	63	49.8 Å²	49.8	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-74.3	-40	178.8	-70.9	170.7	0	0	0	111.9	K59 A61 Y64 Q86 A87	K59-L90 HydrophobicContact CB-CD2 4.47Å; A61-L90 HydrophobicContact CB-CB 3.87Å; Y64-L90 HydrophobicContact CD2-CD1 3.67Å; Y64-L90 HydrophobicContact CE2-CD1 3.55Å; Q86-L90 HydrophobicContact CG-CD1 4.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.14Å; Q86-L90 PolarHBondContact O-N 2.94Å; A87-L90 PolarHBondContact O-N 3.5Å
91	D	96.4	Very high	97.2	Very high	59 Å²	59	51 Å²	51	32%	0.316	25%	0.246	S	C	.	.			trans	-138.6	101.9	174.9	176.1	10.3	0	0	0	110.4	A61 A87 V88 S93 F94	A61-D91 HydrophobicContact CB-CB 3.74Å; A87-D91 PolarHBondContact O-N 3.4Å; V88-D91 CarbonylContact O-C 3.48Å; D91-S93 PolarHBondContact O-N 3.06Å; D91-S93 WeakPolarHBondContact OD1-CA 3.41Å; D91-S93 WeakPolarHBondContact OD1-CB 3.43Å; D91-S93 PolarHBondContact OD1-N 3.33Å; D91-S93 PolarHBondContact OD1-OG 3.33Å; D91-F94 HydrophobicContact CB-CB 3.94Å; D91-F94 WeakPolarHBondContact O-CB 3.33Å; D91-F94 PolarHBondContact O-N 2.93Å; D91-F94 PolarHBondContact OD1-N 2.93Å
92	N	95.1	Very high	97.2	Very high	97 Å²	97	50 Å²	50	52%	0.519	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.4	180	-175.7	53.6	0	0	0	113.3	V88 H98	V88-N92 VanDerWaalsContact O-CA 3.29Å; V88-N92 WeakPolarHBondContact O-CA 3.37Å; V88-N92 PolarHBondContact O-N 3.5Å; V88-N92 VanDerWaalsContact O-N 3.15Å; N92-H98 PolarHBondContact O-NE2 3.41Å
93	S	95.4	Very high	97.2	Very high	75 Å²	75	46.2 Å²	46.2	52%	0.524	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.6	174.1	73.7	0	0	0	0	113	D91 M95	D91-S93 PolarHBondContact O-N 3.06Å; D91-S93 WeakPolarHBondContact OD1-CA 3.41Å; D91-S93 WeakPolarHBondContact OD1-CB 3.43Å; D91-S93 PolarHBondContact OD1-N 3.33Å; D91-S93 PolarHBondContact OD1-OG 3.33Å; S93-M95 PolarHBondContact O-N 3.5Å
94	F	94.8	Very high	97.2	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.145	22%	0.219	C	C	.	.			trans	-70.7	86.5	-178.7	-173.4	-133.5	0	0	0	111.9	A61 A87 D91 K96 G97 H98	A61-F94 HydrophobicContact CB-CD1 4.48Å; A87-F94 HydrophobicContact CB-CD1 3.88Å; A87-F94 HydrophobicContact CB-CE1 3.98Å; D91-F94 HydrophobicContact CB-CB 3.94Å; D91-F94 WeakPolarHBondContact O-CB 3.33Å; D91-F94 PolarHBondContact O-N 2.93Å; D91-F94 PolarHBondContact OD1-N 2.93Å; F94-K96 VanDerWaalsContact C-N 3.29Å; F94-K96 HydrophobicContact CD2-CB 4.48Å; F94-K96 HydrophobicContact CE1-CB 4.33Å; F94-K96 HydrophobicContact CE2-CB 3.87Å; F94-K96 HydrophobicContact CZ-CB 3.79Å; F94-K96 PolarHBondContact O-N 2.83Å; F94-G97 VanDerWaalsContact CD1-CA 3.47Å; F94-G97 VanDerWaalsContact CD1-N 3.31Å; F94-G97 WeakPolarHBondContact O-CA 3.42Å; F94-G97 PolarHBondContact O-N 3.29Å; F94-H98 PolarHBondContact O-N 3.46Å
95	M	95.3	Very high	97.2	Very high	75 Å²	75	46.6 Å²	46.6	37%	0.369	22%	0.223	S	C	.	.	H	α-helix	trans	-54.5	-40.1	-176.6	-66.8	-172.4	-70.5	0	0	113.5	S93 G97 H98 L99 L124 E125	S93-M95 PolarHBondContact O-N 3.5Å; M95-G97 PolarHBondContact O-N 3.46Å; M95-H98 PolarHBondContact O-N 2.93Å; M95-L99 WeakPolarHBondContact O-CB 3.32Å; M95-L99 PolarHBondContact O-N 3.19Å; M95-L124 HydrophobicContact CG-CB 3.98Å; M95-L124 HydrophobicContact CG-CD1 3.67Å; M95-L124 HydrophobicContact CG-CG 4.47Å; M95-L124 HydrophobicContact SD-CB 3.9Å; M95-E125 HydrophobicContact SD-CB 3.87Å
96	K	95.6	Very high	97.1	Very high	135 Å²	135	44.1 Å²	44.1	59%	0.587	21%	0.212	S	C	*	.	H	α-helix	trans	-64.1	-30.6	176.8	-69.7	-179.6	-179	173.6	0	112.1	F94 R100	F94-K96 VanDerWaalsContact C-N 3.29Å; F94-K96 HydrophobicContact CD2-CB 4.48Å; F94-K96 HydrophobicContact CE1-CB 4.33Å; F94-K96 HydrophobicContact CE2-CB 3.87Å; F94-K96 HydrophobicContact CZ-CB 3.79Å; F94-K96 PolarHBondContact O-N 2.83Å; K96-R100 WeakPolarHBondContact O-CB 3.46Å; K96-R100 VanDerWaalsContact O-CD 3.3Å; K96-R100 WeakPolarHBondContact O-CD 3.38Å; K96-R100 WeakPolarHBondContact O-CG 3.47Å; K96-R100 PolarHBondContact O-N 3.48Å; K96-R100 VanDerWaalsContact O-N 3.15Å
97	G	96.8	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-55.2	174.2	0	0	0	0	0	111.3	V88 F94 M95 L99 R100 E101	V88-G97 VanDerWaalsContact CG2-C 3.49Å; F94-G97 VanDerWaalsContact CD1-CA 3.47Å; F94-G97 VanDerWaalsContact CD1-N 3.31Å; F94-G97 WeakPolarHBondContact O-CA 3.42Å; F94-G97 PolarHBondContact O-N 3.29Å; M95-G97 PolarHBondContact O-N 3.46Å; G97-L99 VanDerWaalsContact C-N 3.31Å; G97-L99 PolarHBondContact O-N 3.25Å; G97-R100 PolarHBondContact O-N 2.79Å; G97-R100 VanDerWaalsContact O-N 3.16Å; G97-E101 WeakPolarHBondContact O-CB 3.49Å; G97-E101 PolarHBondContact O-N 3.48Å
98	H	97.9	Very high	97	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.046	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-43.6	177	-75.6	-72.1	0	0	0	112.4	V88 N92 F94 M95 R100 E101 G102 C117 V121	V88-H98 WeakPolarHBondContact CG1-CE1 3.44Å; N92-H98 PolarHBondContact O-NE2 3.41Å; F94-H98 PolarHBondContact O-N 3.46Å; M95-H98 PolarHBondContact O-N 2.93Å; H98-R100 PolarHBondContact O-N 3.17Å; H98-E101 PolarHBondContact O-N 3.12Å; H98-G102 PolarHBondContact O-N 3.15Å; H98-C117 WeakPolarHBondContact O-CB 3.28Å; H98-V121 HydrophobicContact CB-CG2 3.6Å
99	L	97.6	Very high	97	Very high	20 Å²	20	43.6 Å²	43.6	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-42.4	178.6	-175.2	70	0	0	0	112.1	M95 G97 K103 F118 V121 Q130 A131	M95-L99 WeakPolarHBondContact O-CB 3.32Å; M95-L99 PolarHBondContact O-N 3.19Å; G97-L99 VanDerWaalsContact C-N 3.31Å; G97-L99 PolarHBondContact O-N 3.25Å; L99-K103 WeakPolarHBondContact O-CG 3.48Å; L99-K103 PolarHBondContact O-N 2.94Å; L99-F118 HydrophobicContact CD1-CD1 3.97Å; L99-F118 HydrophobicContact CD1-CE1 3.93Å; L99-V121 HydrophobicContact CB-CG2 4.18Å; L99-Q130 HydrophobicContact CD1-CG 4.28Å; L99-Q130 HydrophobicContact CD2-CG 4.24Å; L99-Q130 VanDerWaalsContact CD2-OE1 3.24Å; L99-A131 HydrophobicContact CD1-CB 4.46Å
100	R	97.9	Very high	96.9	Very high	42 Å²	42	39.8 Å²	39.8	16%	0.158	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-40.6	177.6	-72.1	166.8	-179	154.3	-15.1	111.5	G65 M72 S84 K96 G97 H98 G102 K103 C104	G65-R100 WeakPolarHBondContact O-CD 3.3Å; G65-R100 PolarHBondContact O-NE 2.8Å; G65-R100 PolarHBondContact O-NH1 2.94Å; M72-R100 HydrophobicContact SD-CB 4.17Å; M72-R100 HydrophobicContact SD-CG 4.17Å; S84-R100 WeakPolarHBondContact OG-CB 3.5Å; K96-R100 WeakPolarHBondContact O-CB 3.46Å; K96-R100 VanDerWaalsContact O-CD 3.3Å; K96-R100 WeakPolarHBondContact O-CD 3.38Å; K96-R100 WeakPolarHBondContact O-CG 3.47Å; K96-R100 PolarHBondContact O-N 3.48Å; K96-R100 VanDerWaalsContact O-N 3.15Å; G97-R100 PolarHBondContact O-N 2.79Å; G97-R100 VanDerWaalsContact O-N 3.16Å; H98-R100 PolarHBondContact O-N 3.17Å; R100-G102 VanDerWaalsContact C-N 3.34Å; R100-G102 PolarHBondContact O-N 2.8Å; R100-K103 PolarHBondContact O-N 3.49Å; R100-C104 PolarHBondContact O-N 3.21Å; R100-C104 PolarHBondContact O-SG 3.21Å
101	E	98.3	Very high	96.9	Very high	26 Å²	26	36.9 Å²	36.9	12%	0.121	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-49.4	173.6	-171.2	-178.1	170.1	0	0	110.6	L81 Q85 G97 H98 K103 C104 H105	L81-E101 HydrophobicContact CD1-CG 3.71Å; Q85-E101 HydrophobicContact CG-CG 3.94Å; Q85-E101 WeakPolarHBondContact CG-OE1 3.48Å; G97-E101 WeakPolarHBondContact O-CB 3.49Å; G97-E101 PolarHBondContact O-N 3.48Å; H98-E101 PolarHBondContact O-N 3.12Å; E101-K103 PolarHBondContact O-N 2.93Å; E101-C104 PolarHBondContact O-N 3Å; E101-H105 PolarHBondContact O-CD2 3.02Å; E101-H105 PolarHBondContact O-N 3.45Å; E101-H105 IonicContact OE1-NE2 2.76Å
102	G	98	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-44.3	177.1	0	0	0	0	0	112.9	H98 R100 C104 H105 L106 A114 C117	H98-G102 PolarHBondContact O-N 3.15Å; R100-G102 VanDerWaalsContact C-N 3.34Å; R100-G102 PolarHBondContact O-N 2.8Å; G102-C104 PolarHBondContact O-N 3.34Å; G102-H105 PolarHBondContact O-N 3.45Å; G102-L106 WeakPolarHBondContact O-CB 3.25Å; G102-L106 PolarHBondContact O-N 2.65Å; G102-A114 VanDerWaalsContact O-CB 3.25Å; G102-A114 WeakPolarHBondContact O-CB 3.49Å; G102-C117 VanDerWaalsContact CA-CB 3.5Å
103	K	97.9	Very high	97.1	Very high	39 Å²	39	36 Å²	36	17%	0.17	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-35.7	176.8	-72.4	-177.4	-173.3	-132.4	0	113.2	M72 L99 R100 E101 L106 S107 F118 E134	M72-K103 HydrophobicContact CE-CB 3.58Å; M72-K103 HydrophobicContact CE-CD 4.08Å; M72-K103 HydrophobicContact CE-CG 4.49Å; L99-K103 WeakPolarHBondContact O-CG 3.48Å; L99-K103 PolarHBondContact O-N 2.94Å; R100-K103 PolarHBondContact O-N 3.49Å; E101-K103 PolarHBondContact O-N 2.93Å; K103-L106 PolarHBondContact O-N 3.23Å; K103-S107 WeakPolarHBondContact O-CB 3.16Å; K103-S107 PolarHBondContact O-N 3.18Å; K103-S107 PolarHBondContact O-OG 2.89Å; K103-F118 HydrophobicContact CG-CE1 4.16Å; K103-F118 HydrophobicContact CG-CZ 4.13Å; K103-E134 WeakPolarHBondContact CE-OE1 3.39Å; K103-E134 IonicContact NZ-OE1 2.7Å; K103-E134 PolarHBondContact NZ-OE1 3.16Å
104	C	98.1	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-45.5	174.4	-66.1	0	0	0	0	110.5	A80 L81 R100 E101 G102 L106 S107 L108	A80-C104 VanDerWaalsContact CB-SG 3.57Å; L81-C104 HydrophobicContact CB-CB 3.85Å; L81-C104 HydrophobicContact CD1-CB 3.95Å; L81-C104 HydrophobicContact CG-CB 4.48Å; R100-C104 PolarHBondContact O-N 3.21Å; R100-C104 PolarHBondContact O-SG 3.21Å; E101-C104 PolarHBondContact O-N 3Å; G102-C104 PolarHBondContact O-N 3.34Å; C104-L106 VanDerWaalsContact C-N 3.33Å; C104-L106 PolarHBondContact O-N 2.93Å; C104-S107 PolarHBondContact O-N 3.29Å; C104-L108 WeakPolarHBondContact O-CB 3.41Å; C104-L108 WeakPolarHBondContact O-CD1 3.06Å; C104-L108 VanDerWaalsContact O-CG 3.25Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.32Å
105	H	98.3	Very high	97.5	Very high	21 Å²	21	31.3 Å²	31.3	10%	0.097	16%	0.158	C	C	.	.	H	α-helix	trans	-56.3	-47.2	172.3	-83.4	-57.4	0	0	0	111.8	E101 G102 L108 G109 N110 A113 A114	E101-H105 PolarHBondContact O-CD2 3.02Å; E101-H105 PolarHBondContact O-N 3.45Å; E101-H105 IonicContact OE1-NE2 2.76Å; G102-H105 PolarHBondContact O-N 3.45Å; H105-L108 CarbonylContact O-C 3.56Å; H105-L108 PolarHBondContact O-N 2.87Å; H105-G109 PolarHBondContact O-N 3.02Å; H105-G109 VanDerWaalsContact O-N 3.11Å; H105-N110 HydrophobicContact CB-CB 4.05Å; H105-N110 WeakPolarHBondContact O-CA 3.45Å; H105-N110 WeakPolarHBondContact O-CB 3.33Å; H105-N110 PolarHBondContact O-N 3.27Å; H105-A113 HydrophobicContact CB-CB 4.27Å; H105-A114 HydrophobicContact CB-CB 3.84Å
106	L	97.3	Very high	97.6	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-48.1	179.2	-165.4	71.7	0	0	0	111.8	G102 K103 C104 L108 G109 A114 N137 A138 I141 C170 A171	G102-L106 WeakPolarHBondContact O-CB 3.25Å; G102-L106 PolarHBondContact O-N 2.65Å; K103-L106 PolarHBondContact O-N 3.23Å; C104-L106 VanDerWaalsContact C-N 3.33Å; C104-L106 PolarHBondContact O-N 2.93Å; L106-L108 PolarHBondContact O-N 3.14Å; L106-G109 PolarHBondContact O-N 3.17Å; L106-A114 HydrophobicContact CB-CB 3.97Å; L106-A114 HydrophobicContact CD1-CB 4.14Å; L106-N137 HydrophobicContact CD2-CB 4.02Å; L106-A138 HydrophobicContact CD1-CB 3.74Å; L106-I141 HydrophobicContact CD1-CD1 3.55Å; L106-I141 HydrophobicContact CG-CD1 4.1Å; L106-C170 HydrophobicContact CD2-CB 4.4Å; L106-A171 WeakPolarHBondContact O-CA 3.43Å; L106-A171 VanDerWaalsContact O-CB 3.23Å; L106-A171 WeakPolarHBondContact O-CB 3.43Å
107	S	97.4	Very high	97.7	Very high	15 Å²	15	29.9 Å²	29.9	11%	0.105	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-33.6	178.3	-59.9	0	0	0	0	112.4	Y77 K103 C104 G109 A171 A173 C174	Y77-S107 WeakPolarHBondContact CE1-OG 3.26Å; K103-S107 WeakPolarHBondContact O-CB 3.16Å; K103-S107 PolarHBondContact O-N 3.18Å; K103-S107 PolarHBondContact O-OG 2.89Å; C104-S107 PolarHBondContact O-N 3.29Å; S107-G109 VanDerWaalsContact C-N 3.34Å; S107-A171 CarbonylContact O-C 3.58Å; S107-A173 CarbonylContact O-C 3.4Å; S107-A173 WeakPolarHBondContact O-CA 3.37Å; S107-A173 WeakPolarHBondContact O-CB 3.48Å; S107-A173 PolarHBondContact O-N 3.09Å; S107-A173 VanDerWaalsContact O-N 3.13Å; S107-C174 PolarHBondContact O-N 3.42Å
108	L	96.5	Very high	97.8	Very high	32 Å²	32	29.9 Å²	29.9	17%	0.168	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.8	177	-67.6	169.6	0	0	0	113.6	R78 L81 C104 H105 L106	R78-L108 HydrophobicContact CG-CD1 4.28Å; R78-L108 HydrophobicContact CG-CD2 4.02Å; L81-L108 HydrophobicContact CD2-CD1 4.01Å; C104-L108 WeakPolarHBondContact O-CB 3.41Å; C104-L108 WeakPolarHBondContact O-CD1 3.06Å; C104-L108 VanDerWaalsContact O-CG 3.25Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.32Å; H105-L108 CarbonylContact O-C 3.56Å; H105-L108 PolarHBondContact O-N 2.87Å; L106-L108 PolarHBondContact O-N 3.14Å
109	G	96.3	Very high	97.8	Very high	8 Å²	8	33.9 Å²	33.9	8%	0.082	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	6.9	-179.7	0	0	0	0	0	115.2	H105 L106 S107 A111	H105-G109 PolarHBondContact O-N 3.02Å; H105-G109 VanDerWaalsContact O-N 3.11Å; L106-G109 PolarHBondContact O-N 3.17Å; S107-G109 VanDerWaalsContact C-N 3.34Å; G109-A111 PolarHBondContact O-N 2.91Å
110	N	97.3	Very high	97.8	Very high	80 Å²	80	35.6 Å²	35.6	43%	0.428	17%	0.172	S	C	.	.			trans	-84	61.7	178.3	-63.4	-47.2	0	0	0	111.1	H105 M112 A113 A114	H105-N110 HydrophobicContact CB-CB 4.05Å; H105-N110 WeakPolarHBondContact O-CA 3.45Å; H105-N110 WeakPolarHBondContact O-CB 3.33Å; H105-N110 PolarHBondContact O-N 3.27Å; N110-M112 VanDerWaalsContact C-N 3.35Å; N110-M112 PolarHBondContact O-N 3.05Å; N110-A113 HydrophobicContact CB-CB 4.3Å; N110-A113 PolarHBondContact O-N 3.18Å; N110-A113 VanDerWaalsContact O-N 3.15Å; N110-A114 PolarHBondContact O-N 2.94Å
111	A	97.7	Very high	97.8	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-40	-170.8	0	0	0	0	0	113.5	G109 A113 A114 S115 I141 L142	G109-A111 PolarHBondContact O-N 2.91Å; A111-A113 PolarHBondContact O-N 2.86Å; A111-A114 WeakPolarHBondContact O-CB 3.45Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-S115 PolarHBondContact O-N 3.42Å; A111-S115 PolarHBondContact O-OG 3.19Å; A111-S115 VanDerWaalsContact O-OG 3.13Å; A111-I141 HydrophobicContact CB-CB 3.94Å; A111-I141 HydrophobicContact CB-CG2 3.75Å; A111-L142 HydrophobicContact CB-CD2 3.75Å; A111-L142 HydrophobicContact CB-CG 3.85Å
112	M	97.8	Very high	97.8	Very high	109 Å²	109	34 Å²	34	54%	0.537	17%	0.167	S	C	.	.	H	α-helix	trans	-59.3	-42.9	176.2	-74.5	-57.7	-62.3	0	0	113.3	N110 R116 L142	N110-M112 VanDerWaalsContact C-N 3.35Å; N110-M112 PolarHBondContact O-N 3.05Å; M112-R116 PolarHBondContact O-N 3.42Å; M112-L142 HydrophobicContact CG-CD1 4.49Å; M112-L142 HydrophobicContact CG-CD2 3.66Å; M112-L142 HydrophobicContact SD-CD1 3.51Å; M112-L142 VanDerWaalsContact SD-CD1 3.51Å; M112-L142 HydrophobicContact SD-CD2 3.64Å; M112-L142 HydrophobicContact SD-CG 4.25Å
113	A	98	Very high	97.7	Very high	29 Å²	29	40.2 Å²	40.2	24%	0.24	20%	0.196	C	C	.	.	H	α-helix	trans	-69.2	-41.9	176.8	0	0	0	0	0	110.7	H105 N110 A111 S115 R116 C117	H105-A113 HydrophobicContact CB-CB 4.27Å; N110-A113 HydrophobicContact CB-CB 4.3Å; N110-A113 PolarHBondContact O-N 3.18Å; N110-A113 VanDerWaalsContact O-N 3.15Å; A111-A113 PolarHBondContact O-N 2.86Å; A113-S115 VanDerWaalsContact C-N 3.34Å; A113-S115 PolarHBondContact O-N 3.41Å; A113-R116 PolarHBondContact O-N 2.98Å; A113-R116 VanDerWaalsContact O-N 3.16Å; A113-C117 PolarHBondContact O-N 3.13Å; A113-C117 VanDerWaalsContact O-N 3.17Å; A113-C117 PolarHBondContact O-SG 3.16Å; A113-C117 VanDerWaalsContact O-SG 3.37Å
114	A	98.3	Very high	97.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-45.8	175.5	0	0	0	0	0	112.2	G102 H105 L106 N110 A111 R116 C117 F118 A138	G102-A114 VanDerWaalsContact O-CB 3.25Å; G102-A114 WeakPolarHBondContact O-CB 3.49Å; H105-A114 HydrophobicContact CB-CB 3.84Å; L106-A114 HydrophobicContact CB-CB 3.97Å; L106-A114 HydrophobicContact CD1-CB 4.14Å; N110-A114 PolarHBondContact O-N 2.94Å; A111-A114 WeakPolarHBondContact O-CB 3.45Å; A111-A114 PolarHBondContact O-N 3.44Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.29Å; A114-C117 WeakPolarHBondContact O-CB 3.43Å; A114-C117 PolarHBondContact O-N 3.18Å; A114-C117 VanDerWaalsContact O-N 3.16Å; A114-F118 HydrophobicContact CB-CD2 4.41Å; A114-F118 HydrophobicContact CB-CE2 3.85Å; A114-F118 HydrophobicContact CB-CZ 4.48Å; A114-F118 WeakPolarHBondContact O-CD2 3.33Å; A114-F118 WeakPolarHBondContact O-CG 3.48Å; A114-F118 PolarHBondContact O-N 2.84Å; A114-A138 HydrophobicContact CB-CB 4.38Å
115	S	98.4	Very high	97.5	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-56.2	-41.8	176.8	-63.4	0	0	0	0	112.4	A111 A113 F118 Q119 A138	A111-S115 PolarHBondContact O-N 3.42Å; A111-S115 PolarHBondContact O-OG 3.19Å; A111-S115 VanDerWaalsContact O-OG 3.13Å; A113-S115 VanDerWaalsContact C-N 3.34Å; A113-S115 PolarHBondContact O-N 3.41Å; S115-F118 PolarHBondContact O-N 3.42Å; S115-Q119 WeakPolarHBondContact O-CB 3.45Å; S115-Q119 VanDerWaalsContact O-CG 3.22Å; S115-Q119 WeakPolarHBondContact O-CG 3.43Å; S115-Q119 PolarHBondContact O-N 3.44Å; S115-A138 VanDerWaalsContact OG-CB 3.3Å; S115-A138 WeakPolarHBondContact OG-CB 3.12Å
116	R	98	Very high	97.3	Very high	171 Å²	171	48.7 Å²	48.7	65%	0.645	25%	0.245	S	C	*	.	H	α-helix	trans	-65.1	-42.5	177.8	-66.1	177.8	-170.2	168.8	2.9	111.9	M112 A113 A114 Q119 K120	M112-R116 PolarHBondContact O-N 3.42Å; A113-R116 PolarHBondContact O-N 2.98Å; A113-R116 VanDerWaalsContact O-N 3.16Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.29Å; R116-Q119 PolarHBondContact O-N 2.78Å; R116-K120 PolarHBondContact O-N 3.27Å
117	C	98.1	Very high	97.3	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-44.2	176.3	-60.6	0	0	0	0	111.5	H98 G102 A113 A114 K120 V121	H98-C117 WeakPolarHBondContact O-CB 3.28Å; G102-C117 VanDerWaalsContact CA-CB 3.5Å; A113-C117 PolarHBondContact O-N 3.13Å; A113-C117 VanDerWaalsContact O-N 3.17Å; A113-C117 PolarHBondContact O-SG 3.16Å; A113-C117 VanDerWaalsContact O-SG 3.37Å; A114-C117 WeakPolarHBondContact O-CB 3.43Å; A114-C117 PolarHBondContact O-N 3.18Å; A114-C117 VanDerWaalsContact O-N 3.16Å; C117-K120 WeakPolarHBondContact O-CB 3.49Å; C117-K120 PolarHBondContact O-N 2.93Å; C117-V121 PolarHBondContact O-N 3.33Å; C117-V121 VanDerWaalsContact O-N 3.1Å
118	F	98.4	Very high	97.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-38.9	178.1	-58.4	-43.6	0	0	0	112.4	L99 K103 A114 S115 K120 V121 L122 E134 L135	L99-F118 HydrophobicContact CD1-CD1 3.97Å; L99-F118 HydrophobicContact CD1-CE1 3.93Å; K103-F118 HydrophobicContact CG-CE1 4.16Å; K103-F118 HydrophobicContact CG-CZ 4.13Å; A114-F118 HydrophobicContact CB-CD2 4.41Å; A114-F118 HydrophobicContact CB-CE2 3.85Å; A114-F118 HydrophobicContact CB-CZ 4.48Å; A114-F118 WeakPolarHBondContact O-CD2 3.33Å; A114-F118 WeakPolarHBondContact O-CG 3.48Å; A114-F118 PolarHBondContact O-N 2.84Å; S115-F118 PolarHBondContact O-N 3.42Å; F118-K120 VanDerWaalsContact C-N 3.26Å; F118-K120 PolarHBondContact O-N 3.47Å; F118-V121 PolarHBondContact O-N 3.02Å; F118-L122 WeakPolarHBondContact O-CG 3.47Å; F118-L122 PolarHBondContact O-N 2.58Å; F118-E134 HydrophobicContact CD1-CB 3.97Å; F118-E134 HydrophobicContact CD2-CB 3.85Å; F118-E134 HydrophobicContact CE1-CB 3.64Å; F118-E134 HydrophobicContact CE1-CG 4.23Å; F118-E134 HydrophobicContact CE2-CB 3.5Å; F118-E134 VanDerWaalsContact CE2-CB 3.5Å; F118-E134 WeakPolarHBondContact CE2-O 3.43Å; F118-E134 HydrophobicContact CG-CB 4.08Å; F118-E134 HydrophobicContact CZ-CB 3.39Å; F118-E134 HydrophobicContact CZ-CG 4.17Å; F118-L135 HydrophobicContact CB-CB 4.07Å
119	Q	98	Very high	97.2	Very high	93 Å²	93	58.4 Å²	58.4	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-40.5	170.7	-76	168.9	-2.3	0	0	111.1	S115 R116 V121 L122 E123 L135	S115-Q119 WeakPolarHBondContact O-CB 3.45Å; S115-Q119 VanDerWaalsContact O-CG 3.22Å; S115-Q119 WeakPolarHBondContact O-CG 3.43Å; S115-Q119 PolarHBondContact O-N 3.44Å; R116-Q119 PolarHBondContact O-N 2.78Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 PolarHBondContact O-N 3.06Å; Q119-L122 CarbonylContact O-C 3.16Å; Q119-L122 PolarHBondContact O-N 3.33Å; Q119-L122 VanDerWaalsContact O-N 3.09Å; Q119-E123 WeakPolarHBondContact O-CG 3.47Å; Q119-E123 PolarHBondContact O-N 3.1Å; Q119-L135 HydrophobicContact CG-CD1 4.28Å; Q119-L135 HydrophobicContact CG-CD2 4.19Å
120	K	97.6	Very high	97.2	Very high	56 Å²	56	62 Å²	62	24%	0.243	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-38.2	176.3	-173.5	54.7	-178.7	177.5	0	113	R116 C117 F118 L122 E123 L124	R116-K120 PolarHBondContact O-N 3.27Å; C117-K120 WeakPolarHBondContact O-CB 3.49Å; C117-K120 PolarHBondContact O-N 2.93Å; F118-K120 VanDerWaalsContact C-N 3.26Å; F118-K120 PolarHBondContact O-N 3.47Å; K120-L122 VanDerWaalsContact C-N 3.34Å; K120-E123 WeakPolarHBondContact CD-OE2 3.35Å; K120-E123 IonicContact NZ-OE2 3.29Å; K120-E123 PolarHBondContact NZ-OE2 3.5Å; K120-E123 PolarHBondContact O-N 3.47Å; K120-L124 WeakPolarHBondContact O-CG 3.15Å; K120-L124 PolarHBondContact O-N 3.1Å
121	V	97.9	Very high	97.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-42	172.3	177.7	0	0	0	0	110.8	H98 L99 C117 F118 Q119 E123 L124 E125 N128 A131	H98-V121 HydrophobicContact CB-CG2 3.6Å; L99-V121 HydrophobicContact CB-CG2 4.18Å; C117-V121 PolarHBondContact O-N 3.33Å; C117-V121 VanDerWaalsContact O-N 3.1Å; F118-V121 PolarHBondContact O-N 3.02Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 PolarHBondContact O-N 3.06Å; V121-E123 VanDerWaalsContact C-N 3.34Å; V121-E123 PolarHBondContact O-N 2.87Å; V121-L124 PolarHBondContact O-N 3.19Å; V121-L124 VanDerWaalsContact O-N 3.15Å; V121-E125 PolarHBondContact O-N 2.88Å; V121-N128 HydrophobicContact CG1-CB 4.21Å; V121-A131 HydrophobicContact CB-CB 3.9Å; V121-A131 HydrophobicContact CG1-CB 3.67Å
122	L	97.8	Very high	97.2	Very high	34 Å²	34	62 Å²	62	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-70.1	-26.3	178.7	-63.9	171.1	0	0	0	113.7	F118 Q119 K120 L124 E125 P126 N128 A131 Q132 L135	F118-L122 WeakPolarHBondContact O-CG 3.47Å; F118-L122 PolarHBondContact O-N 2.58Å; Q119-L122 CarbonylContact O-C 3.16Å; Q119-L122 PolarHBondContact O-N 3.33Å; Q119-L122 VanDerWaalsContact O-N 3.09Å; K120-L122 VanDerWaalsContact C-N 3.34Å; L122-L124 VanDerWaalsContact C-N 3.32Å; L122-E125 CarbonylContact O-C 3.48Å; L122-P126 WeakPolarHBondContact O-CA 3.36Å; L122-P126 VanDerWaalsContact O-N 3.16Å; L122-N128 HydrophobicContact CD2-CB 4.25Å; L122-A131 HydrophobicContact CD2-CB 3.83Å; L122-A131 HydrophobicContact CG-CB 3.95Å; L122-Q132 HydrophobicContact CD1-CG 4.3Å; L122-Q132 HydrophobicContact CD2-CG 3.56Å; L122-L135 HydrophobicContact CD1-CD2 3.87Å
123	E	96.9	Very high	97.2	Very high	131 Å²	131	62.6 Å²	62.6	61%	0.612	32%	0.317	S	S	*	.	H	α-helix	trans	-65.8	-36.8	169.1	-72.7	173.3	-169.5	0	0	112	Q119 K120 V121	Q119-E123 WeakPolarHBondContact O-CG 3.47Å; Q119-E123 PolarHBondContact O-N 3.1Å; K120-E123 WeakPolarHBondContact CD-OE2 3.35Å; K120-E123 IonicContact NZ-OE2 3.29Å; K120-E123 PolarHBondContact NZ-OE2 3.5Å; K120-E123 PolarHBondContact O-N 3.47Å; V121-E123 VanDerWaalsContact C-N 3.34Å; V121-E123 PolarHBondContact O-N 2.87Å
124	L	94.9	Very high	97.2	Very high	71 Å²	71	62.6 Å²	62.6	37%	0.372	31%	0.312	S	S	.	.	H	α-helix	trans	-80.9	-37.2	179.2	-63.8	173	0	0	0	111.7	M95 K120 V121 L122	M95-L124 HydrophobicContact CG-CB 3.98Å; M95-L124 HydrophobicContact CG-CD1 3.67Å; M95-L124 HydrophobicContact CG-CG 4.47Å; M95-L124 HydrophobicContact SD-CB 3.9Å; K120-L124 WeakPolarHBondContact O-CG 3.15Å; K120-L124 PolarHBondContact O-N 3.1Å; V121-L124 PolarHBondContact O-N 3.19Å; V121-L124 VanDerWaalsContact O-N 3.15Å; L122-L124 VanDerWaalsContact C-N 3.32Å
125	E	95.8	Very high	97.2	Very high	81 Å²	81	63.7 Å²	63.7	38%	0.379	32%	0.317	S	S	.	.			trans	-142.2	91	-179.2	-172.5	-175.8	-167.4	0	0	110.3	M95 V121 L122 D127 N128	M95-E125 HydrophobicContact SD-CB 3.87Å; V121-E125 PolarHBondContact O-N 2.88Å; L122-E125 CarbonylContact O-C 3.48Å; E125-D127 PolarHBondContact O-N 3.09Å; E125-N128 HydrophobicContact CB-CB 4.18Å; E125-N128 HydrophobicContact CG-CB 4.04Å; E125-N128 VanDerWaalsContact O-CB 3.29Å; E125-N128 WeakPolarHBondContact O-CB 3.35Å; E125-N128 PolarHBondContact O-N 3.44Å; E125-N128 VanDerWaalsContact O-N 3.12Å; E125-N128 PolarHBondContact OE2-ND2 2.61Å
126	P	95.8	Very high	97.2	Very high	85 Å²	85	69.3 Å²	69.3	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.3	-175	-28.7	36.2	0	0	0	115.1	L122 N128 Q132	L122-P126 WeakPolarHBondContact O-CA 3.36Å; L122-P126 VanDerWaalsContact O-N 3.16Å; P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 PolarHBondContact O-N 2.93Å; P126-Q132 PolarHBondContact O-NE2 3.19Å
127	D	95.5	Very high	97.1	Very high	142 Å²	142	63.1 Å²	63.1	76%	0.759	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	10.9	-177.2	-63.4	-39.3	0	0	0	113.3	E125 S129	E125-D127 PolarHBondContact O-N 3.09Å; D127-S129 PolarHBondContact O-N 2.91Å
128	N	96.7	Very high	97.2	Very high	25 Å²	25	62.6 Å²	62.6	13%	0.134	32%	0.317	C	S	.	.			trans	-67.8	95.5	179.5	-168.3	-63.1	0	0	0	111.4	V121 L122 E125 P126 Q130 A131 Q132	V121-N128 HydrophobicContact CG1-CB 4.21Å; L122-N128 HydrophobicContact CD2-CB 4.25Å; E125-N128 HydrophobicContact CB-CB 4.18Å; E125-N128 HydrophobicContact CG-CB 4.04Å; E125-N128 VanDerWaalsContact O-CB 3.29Å; E125-N128 WeakPolarHBondContact O-CB 3.35Å; E125-N128 PolarHBondContact O-N 3.44Å; E125-N128 VanDerWaalsContact O-N 3.12Å; E125-N128 PolarHBondContact OE2-ND2 2.61Å; P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 PolarHBondContact O-N 2.93Å; N128-Q130 PolarHBondContact O-N 3.11Å; N128-Q130 PolarHBondContact OD1-N 3.2Å; N128-A131 HydrophobicContact CB-CB 4.11Å; N128-A131 PolarHBondContact O-N 3.36Å; N128-A131 WeakPolarHBondContact OD1-CB 3.18Å; N128-A131 PolarHBondContact OD1-N 3.36Å; N128-Q132 WeakPolarHBondContact O-CG 3.14Å; N128-Q132 PolarHBondContact O-N 2.83Å
129	S	96.5	Very high	97.1	Very high	90 Å²	90	67.5 Å²	67.5	63%	0.629	34%	0.34	S	S	*	.	H	α-helix	trans	-57.9	-34.4	-176.6	61.2	0	0	0	0	113.5	D127 Q133	D127-S129 PolarHBondContact O-N 2.91Å; S129-Q133 WeakPolarHBondContact O-CB 3.48Å; S129-Q133 PolarHBondContact O-N 3.3Å
130	Q	96.2	Very high	97.1	Very high	84 Å²	84	65.7 Å²	65.7	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-47.4	178.7	-174.7	168.6	33.7	0	0	111.2	L99 N128 Q132 Q133 E134	L99-Q130 HydrophobicContact CD1-CG 4.28Å; L99-Q130 HydrophobicContact CD2-CG 4.24Å; L99-Q130 VanDerWaalsContact CD2-OE1 3.24Å; N128-Q130 PolarHBondContact O-N 3.11Å; N128-Q130 PolarHBondContact OD1-N 3.2Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.99Å; Q130-Q133 PolarHBondContact O-N 2.9Å; Q130-E134 HydrophobicContact CG-CG 4.44Å; Q130-E134 VanDerWaalsContact O-CG 3.26Å; Q130-E134 WeakPolarHBondContact O-CG 3.47Å; Q130-E134 PolarHBondContact O-N 3.45Å
131	A	97.3	Very high	97.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-38.6	176.9	0	0	0	0	0	111.8	L99 V121 L122 N128 Q133 E134 L135	L99-A131 HydrophobicContact CD1-CB 4.46Å; V121-A131 HydrophobicContact CB-CB 3.9Å; V121-A131 HydrophobicContact CG1-CB 3.67Å; L122-A131 HydrophobicContact CD2-CB 3.83Å; L122-A131 HydrophobicContact CG-CB 3.95Å; N128-A131 HydrophobicContact CB-CB 4.11Å; N128-A131 PolarHBondContact O-N 3.36Å; N128-A131 WeakPolarHBondContact OD1-CB 3.18Å; N128-A131 PolarHBondContact OD1-N 3.36Å; A131-Q133 PolarHBondContact O-N 3.4Å; A131-E134 PolarHBondContact O-N 3.01Å; A131-L135 VanDerWaalsContact O-CB 3.28Å; A131-L135 WeakPolarHBondContact O-CB 3.21Å; A131-L135 PolarHBondContact O-N 2.93Å
132	Q	97.9	Very high	97.2	Very high	80 Å²	80	65.3 Å²	65.3	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-42.2	174.3	-67.1	179.1	3.3	0	0	112.3	L122 P126 N128 Q130 K136	L122-Q132 HydrophobicContact CD1-CG 4.3Å; L122-Q132 HydrophobicContact CD2-CG 3.56Å; P126-Q132 PolarHBondContact O-NE2 3.19Å; N128-Q132 WeakPolarHBondContact O-CG 3.14Å; N128-Q132 PolarHBondContact O-N 2.83Å; Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.99Å; Q132-K136 WeakPolarHBondContact O-CG 3.39Å; Q132-K136 PolarHBondContact O-N 3.18Å
133	Q	97.4	Very high	97.2	Very high	122 Å²	122	67.4 Å²	67.4	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-66.7	-46.4	177.6	-176	178.8	3.1	0	0	111.7	S129 Q130 A131 L135 K136 N137	S129-Q133 WeakPolarHBondContact O-CB 3.48Å; S129-Q133 PolarHBondContact O-N 3.3Å; Q130-Q133 PolarHBondContact O-N 2.9Å; A131-Q133 PolarHBondContact O-N 3.4Å; Q133-L135 VanDerWaalsContact C-N 3.31Å; Q133-L135 PolarHBondContact O-N 3.36Å; Q133-K136 WeakPolarHBondContact O-CB 3.42Å; Q133-K136 PolarHBondContact O-N 3Å; Q133-N137 PolarHBondContact O-N 2.88Å
134	E	97.8	Very high	97.3	Very high	30 Å²	30	64.1 Å²	64.1	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-30.8	-178.7	-60.7	-74.7	-165	0	0	112.2	K103 F118 Q130 A131 N137 A138	K103-E134 WeakPolarHBondContact CE-OE1 3.39Å; K103-E134 IonicContact NZ-OE1 2.7Å; K103-E134 PolarHBondContact NZ-OE1 3.16Å; F118-E134 HydrophobicContact CD1-CB 3.97Å; F118-E134 HydrophobicContact CD2-CB 3.85Å; F118-E134 HydrophobicContact CE1-CB 3.64Å; F118-E134 HydrophobicContact CE1-CG 4.23Å; F118-E134 HydrophobicContact CE2-CB 3.5Å; F118-E134 VanDerWaalsContact CE2-CB 3.5Å; F118-E134 WeakPolarHBondContact CE2-O 3.43Å; F118-E134 HydrophobicContact CG-CB 4.08Å; F118-E134 HydrophobicContact CZ-CB 3.39Å; F118-E134 HydrophobicContact CZ-CG 4.17Å; Q130-E134 HydrophobicContact CG-CG 4.44Å; Q130-E134 VanDerWaalsContact O-CG 3.26Å; Q130-E134 WeakPolarHBondContact O-CG 3.47Å; Q130-E134 PolarHBondContact O-N 3.45Å; A131-E134 PolarHBondContact O-N 3.01Å; E134-N137 WeakPolarHBondContact O-CB 3.47Å; E134-N137 PolarHBondContact O-N 3.4Å; E134-N137 PolarHBondContact OE2-ND2 2.93Å; E134-A138 PolarHBondContact O-N 3.19Å
135	L	98.2	Very high	97.4	Very high	22 Å²	22	62.3 Å²	62.3	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-44.4	170.7	-179	59.8	0	0	0	111.6	F118 Q119 L122 A131 Q133 N137 A138 E139	F118-L135 HydrophobicContact CB-CB 4.07Å; Q119-L135 HydrophobicContact CG-CD1 4.28Å; Q119-L135 HydrophobicContact CG-CD2 4.19Å; L122-L135 HydrophobicContact CD1-CD2 3.87Å; A131-L135 VanDerWaalsContact O-CB 3.28Å; A131-L135 WeakPolarHBondContact O-CB 3.21Å; A131-L135 PolarHBondContact O-N 2.93Å; Q133-L135 VanDerWaalsContact C-N 3.31Å; Q133-L135 PolarHBondContact O-N 3.36Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 2.89Å; L135-A138 WeakPolarHBondContact O-CB 3.46Å; L135-A138 PolarHBondContact O-N 2.95Å; L135-A138 VanDerWaalsContact O-N 3.16Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 2.92Å
136	K	97.9	Very high	97.5	Very high	128 Å²	128	64.2 Å²	64.2	56%	0.557	32%	0.323	S	S	*	.	H	α-helix	trans	-61.6	-37.8	174.1	-70	172.6	-178	175.9	0	112.3	Q132 Q133 E139 S140	Q132-K136 WeakPolarHBondContact O-CG 3.39Å; Q132-K136 PolarHBondContact O-N 3.18Å; Q133-K136 WeakPolarHBondContact O-CB 3.42Å; Q133-K136 PolarHBondContact O-N 3Å; K136-E139 PolarHBondContact O-N 2.75Å; K136-S140 WeakPolarHBondContact O-CB 3.31Å; K136-S140 PolarHBondContact O-N 3.11Å; K136-S140 PolarHBondContact O-OG 2.93Å
137	N	97.5	Very high	97.6	Very high	40 Å²	40	62.9 Å²	62.9	21%	0.214	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-45	174.1	-65.4	-20.3	0	0	0	110.8	L106 Q133 E134 L135 S140 I141	L106-N137 HydrophobicContact CD2-CB 4.02Å; Q133-N137 PolarHBondContact O-N 2.88Å; E134-N137 WeakPolarHBondContact O-CB 3.47Å; E134-N137 PolarHBondContact O-N 3.4Å; E134-N137 PolarHBondContact OE2-ND2 2.93Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 2.89Å; N137-S140 WeakPolarHBondContact O-CB 3.46Å; N137-S140 PolarHBondContact O-N 3.1Å; N137-I141 WeakPolarHBondContact O-CG1 3.38Å; N137-I141 PolarHBondContact O-N 3.44Å
138	A	98.3	Very high	97.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-46.1	176.5	0	0	0	0	0	112.2	L106 A114 S115 E134 L135 S140 I141 L142	L106-A138 HydrophobicContact CD1-CB 3.74Å; A114-A138 HydrophobicContact CB-CB 4.38Å; S115-A138 VanDerWaalsContact OG-CB 3.3Å; S115-A138 WeakPolarHBondContact OG-CB 3.12Å; E134-A138 PolarHBondContact O-N 3.19Å; L135-A138 WeakPolarHBondContact O-CB 3.46Å; L135-A138 PolarHBondContact O-N 2.95Å; L135-A138 VanDerWaalsContact O-N 3.16Å; A138-S140 VanDerWaalsContact C-N 3.29Å; A138-S140 PolarHBondContact O-N 3.45Å; A138-I141 PolarHBondContact O-N 3.4Å; A138-L142 WeakPolarHBondContact O-CG 3.42Å; A138-L142 PolarHBondContact O-N 3.44Å; A138-L142 VanDerWaalsContact O-N 3.09Å
139	E	98	Very high	97.8	Very high	102 Å²	102	60.8 Å²	60.8	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-40	175.2	-71.1	171.5	169	0	0	112.1	L135 K136 L142 E143	L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 2.92Å; K136-E139 PolarHBondContact O-N 2.75Å; E139-L142 PolarHBondContact O-N 3.05Å; E139-E143 PolarHBondContact O-N 3.12Å; E139-E143 VanDerWaalsContact O-N 3.08Å
140	S	98	Very high	97.9	Very high	55 Å²	55	59 Å²	59	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-41.5	176.4	-58.7	0	0	0	0	111.9	K136 N137 A138 E143 Y144	K136-S140 WeakPolarHBondContact O-CB 3.31Å; K136-S140 PolarHBondContact O-N 3.11Å; K136-S140 PolarHBondContact O-OG 2.93Å; N137-S140 WeakPolarHBondContact O-CB 3.46Å; N137-S140 PolarHBondContact O-N 3.1Å; A138-S140 VanDerWaalsContact C-N 3.29Å; A138-S140 PolarHBondContact O-N 3.45Å; S140-E143 PolarHBondContact O-N 3.47Å; S140-Y144 WeakPolarHBondContact O-CD2 3.27Å; S140-Y144 PolarHBondContact O-N 3.39Å
141	I	98.1	Very high	98	Very high	2 Å²	2	55 Å²	55	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-44.1	174.9	-67.3	179.1	0	0	0	111.1	L106 A111 N137 A138 E143 Y144 E145 A167 C170 A171 F177	L106-I141 HydrophobicContact CD1-CD1 3.55Å; L106-I141 HydrophobicContact CG-CD1 4.1Å; A111-I141 HydrophobicContact CB-CB 3.94Å; A111-I141 HydrophobicContact CB-CG2 3.75Å; N137-I141 WeakPolarHBondContact O-CG1 3.38Å; N137-I141 PolarHBondContact O-N 3.44Å; A138-I141 PolarHBondContact O-N 3.4Å; I141-E143 VanDerWaalsContact C-N 3.27Å; I141-E143 PolarHBondContact O-N 3.42Å; I141-Y144 PolarHBondContact O-N 3.06Å; I141-Y144 VanDerWaalsContact O-N 3.14Å; I141-E145 HydrophobicContact CG2-CG 4.39Å; I141-E145 PolarHBondContact O-N 2.85Å; I141-A167 HydrophobicContact CG1-CB 4.49Å; I141-A167 HydrophobicContact CG2-CB 4.5Å; I141-C170 HydrophobicContact CD1-CB 3.92Å; I141-C170 HydrophobicContact CG1-CB 4.44Å; I141-A171 HydrophobicContact CD1-CB 3.96Å; I141-F177 HydrophobicContact CG2-CE2 3.82Å; I141-F177 HydrophobicContact CG2-CZ 3.74Å
142	L	98.1	Very high	97.9	Very high	47 Å²	47	58.2 Å²	58.2	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-40.4	178.5	-65.9	171.3	0	0	0	111.5	A111 M112 A138 E139 E145 R146	A111-L142 HydrophobicContact CB-CD2 3.75Å; A111-L142 HydrophobicContact CB-CG 3.85Å; M112-L142 HydrophobicContact CG-CD1 4.49Å; M112-L142 HydrophobicContact CG-CD2 3.66Å; M112-L142 HydrophobicContact SD-CD1 3.51Å; M112-L142 VanDerWaalsContact SD-CD1 3.51Å; M112-L142 HydrophobicContact SD-CD2 3.64Å; M112-L142 HydrophobicContact SD-CG 4.25Å; A138-L142 WeakPolarHBondContact O-CG 3.42Å; A138-L142 PolarHBondContact O-N 3.44Å; A138-L142 VanDerWaalsContact O-N 3.09Å; E139-L142 PolarHBondContact O-N 3.05Å; L142-E145 PolarHBondContact O-N 3.39Å; L142-R146 PolarHBondContact O-N 2.67Å
143	E	98.1	Very high	97.8	Very high	79 Å²	79	61.9 Å²	61.9	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-67.1	-40.8	175.4	-177.4	57.5	-165.7	0	0	111.9	E139 S140 I141 E145 R146 M147	E139-E143 PolarHBondContact O-N 3.12Å; E139-E143 VanDerWaalsContact O-N 3.08Å; S140-E143 PolarHBondContact O-N 3.47Å; I141-E143 VanDerWaalsContact C-N 3.27Å; I141-E143 PolarHBondContact O-N 3.42Å; E143-E145 PolarHBondContact O-N 3.38Å; E143-R146 PolarHBondContact O-N 2.97Å; E143-R146 IonicContact OE1-CZ 3.72Å; E143-R146 IonicContact OE1-NE 3.87Å; E143-R146 PolarHBondContact OE1-NE 3.27Å; E143-R146 IonicContact OE1-NH2 3.61Å; E143-R146 PolarHBondContact OE1-NH2 3.38Å; E143-R146 IonicContact OE2-CZ 3.2Å; E143-R146 IonicContact OE2-NE 3.65Å; E143-R146 PolarHBondContact OE2-NE 3.22Å; E143-R146 IonicContact OE2-NH2 3.22Å; E143-M147 HydrophobicContact CG-SD 4.39Å; E143-M147 WeakPolarHBondContact O-CB 3.49Å; E143-M147 WeakPolarHBondContact O-CG 3.42Å; E143-M147 PolarHBondContact O-N 3.5Å
144	Y	98.4	Very high	97.8	Very high	61 Å²	61	63.6 Å²	63.6	24%	0.239	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-37.8	174.2	-67.5	-48.6	0	0	0	112.8	S140 I141 M147 A148 F162 C163 R166 A167	S140-Y144 WeakPolarHBondContact O-CD2 3.27Å; S140-Y144 PolarHBondContact O-N 3.39Å; I141-Y144 PolarHBondContact O-N 3.06Å; I141-Y144 VanDerWaalsContact O-N 3.14Å; Y144-M147 PolarHBondContact O-N 2.7Å; Y144-A148 WeakPolarHBondContact O-CB 3.19Å; Y144-A148 PolarHBondContact O-N 3.01Å; Y144-F162 HydrophobicContact CE1-CE1 4.49Å; Y144-C163 HydrophobicContact CD1-CB 4.37Å; Y144-C163 WeakPolarHBondContact O-CB 3.44Å; Y144-R166 HydrophobicContact CD1-CB 4.21Å; Y144-R166 HydrophobicContact CD2-CB 3.91Å; Y144-R166 HydrophobicContact CE1-CB 3.8Å; Y144-R166 HydrophobicContact CE1-CG 4.09Å; Y144-R166 HydrophobicContact CE2-CB 3.48Å; Y144-R166 VanDerWaalsContact CE2-CB 3.48Å; Y144-R166 HydrophobicContact CE2-CG 4.45Å; Y144-R166 HydrophobicContact CG-CB 4.27Å; Y144-R166 VanDerWaalsContact CZ-CB 3.42Å; Y144-A167 HydrophobicContact CD2-CB 4.47Å
145	E	97.9	Very high	97.7	Very high	33 Å²	33	68.2 Å²	68.2	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-47.6	172.9	-75.9	-167.6	113.6	0	0	110.7	I141 L142 E143 M147 A148 E149 K176 F177	I141-E145 HydrophobicContact CG2-CG 4.39Å; I141-E145 PolarHBondContact O-N 2.85Å; L142-E145 PolarHBondContact O-N 3.39Å; E143-E145 PolarHBondContact O-N 3.38Å; E145-M147 PolarHBondContact O-N 3.01Å; E145-A148 WeakPolarHBondContact O-CB 3.37Å; E145-A148 PolarHBondContact O-N 3.21Å; E145-A148 VanDerWaalsContact O-N 3.16Å; E145-E149 WeakPolarHBondContact O-CG 3.32Å; E145-E149 PolarHBondContact O-N 2.73Å; E145-K176 IonicContact OE1-NZ 3.74Å; E145-K176 PolarHBondContact OE1-NZ 3.36Å; E145-F177 HydrophobicContact CG-CE1 3.72Å; E145-F177 HydrophobicContact CG-CZ 3.81Å; E145-F177 VanDerWaalsContact OE1-CE1 3.3Å; E145-F177 WeakPolarHBondContact OE1-CE1 3.46Å
146	R	98.3	Very high	97.6	Very high	122 Å²	122	70.6 Å²	70.6	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-45.6	177.3	-169.6	-172	75.9	83.8	1.1	112.3	L142 E143 A148 E149 I150	L142-R146 PolarHBondContact O-N 2.67Å; E143-R146 PolarHBondContact O-N 2.97Å; E143-R146 IonicContact OE1-CZ 3.72Å; E143-R146 IonicContact OE1-NE 3.87Å; E143-R146 PolarHBondContact OE1-NE 3.27Å; E143-R146 IonicContact OE1-NH2 3.61Å; E143-R146 PolarHBondContact OE1-NH2 3.38Å; E143-R146 IonicContact OE2-CZ 3.2Å; E143-R146 IonicContact OE2-NE 3.65Å; E143-R146 PolarHBondContact OE2-NE 3.22Å; E143-R146 IonicContact OE2-NH2 3.22Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-E149 PolarHBondContact O-N 2.81Å; R146-I150 HydrophobicContact CG-CD1 4.44Å; R146-I150 WeakPolarHBondContact O-CG1 3.47Å; R146-I150 PolarHBondContact O-N 3.32Å
147	M	98.3	Very high	97.6	Very high	56 Å²	56	65.4 Å²	65.4	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.2	-72.5	-179.3	66.5	0	0	111.7	E143 Y144 E145 I150 G151 M159 C163	E143-M147 HydrophobicContact CG-SD 4.39Å; E143-M147 WeakPolarHBondContact O-CB 3.49Å; E143-M147 WeakPolarHBondContact O-CG 3.42Å; E143-M147 PolarHBondContact O-N 3.5Å; Y144-M147 PolarHBondContact O-N 2.7Å; E145-M147 PolarHBondContact O-N 3.01Å; M147-I150 PolarHBondContact O-N 3.45Å; M147-G151 PolarHBondContact O-N 2.66Å; M147-M159 HydrophobicContact CE-SD 4.22Å; M147-C163 VanDerWaalsContact CB-SG 3.56Å
148	A	98.3	Very high	97.7	Very high	2 Å²	2	72.8 Å²	72.8	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-39.4	177.5	0	0	0	0	0	112.2	Y144 E145 R146 G151 F152 V160 C163 M164	Y144-A148 WeakPolarHBondContact O-CB 3.19Å; Y144-A148 PolarHBondContact O-N 3.01Å; E145-A148 WeakPolarHBondContact O-CB 3.37Å; E145-A148 PolarHBondContact O-N 3.21Å; E145-A148 VanDerWaalsContact O-N 3.16Å; R146-A148 VanDerWaalsContact C-N 3.33Å; A148-G151 PolarHBondContact O-N 3.31Å; A148-F152 WeakPolarHBondContact O-CB 3.44Å; A148-F152 PolarHBondContact O-N 3.03Å; A148-V160 HydrophobicContact CB-CG1 4.15Å; A148-V160 WeakPolarHBondContact O-CG2 3.45Å; A148-C163 HydrophobicContact CB-CB 4.02Å; A148-M164 HydrophobicContact CB-CE 3.58Å
149	E	97.6	Very high	97.7	Very high	121 Å²	121	75.1 Å²	75.1	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-60	-51.8	174.1	-73.4	172.8	-179.6	0	0	111.1	E145 R146 G151 F152 E153	E145-E149 WeakPolarHBondContact O-CG 3.32Å; E145-E149 PolarHBondContact O-N 2.73Å; R146-E149 PolarHBondContact O-N 2.81Å; E149-G151 VanDerWaalsContact C-N 3.28Å; E149-G151 PolarHBondContact O-N 3.29Å; E149-F152 PolarHBondContact O-N 3.11Å; E149-F152 VanDerWaalsContact O-N 3.14Å; E149-E153 WeakPolarHBondContact O-CG 3.45Å; E149-E153 PolarHBondContact O-N 2.83Å
150	I	97.9	Very high	97.7	Very high	53 Å²	53	70.2 Å²	70.2	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-40.7	177	-65.2	167.3	0	0	0	111.1	R146 M147 K154	R146-I150 HydrophobicContact CG-CD1 4.44Å; R146-I150 WeakPolarHBondContact O-CG1 3.47Å; R146-I150 PolarHBondContact O-N 3.32Å; M147-I150 PolarHBondContact O-N 3.45Å; I150-K154 HydrophobicContact CG2-CD 4.02Å; I150-K154 WeakPolarHBondContact O-CB 3.5Å; I150-K154 WeakPolarHBondContact O-CG 3.27Å; I150-K154 PolarHBondContact O-N 3.36Å
151	G	97.9	Very high	97.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-41.6	177.3	0	0	0	0	0	112.2	M147 A148 E149 K154 R155 D156	M147-G151 PolarHBondContact O-N 2.66Å; A148-G151 PolarHBondContact O-N 3.31Å; E149-G151 VanDerWaalsContact C-N 3.28Å; E149-G151 PolarHBondContact O-N 3.29Å; G151-K154 CarbonylContact O-C 3.46Å; G151-K154 PolarHBondContact O-N 2.84Å; G151-R155 CarbonylContact O-C 3.59Å; G151-R155 PolarHBondContact O-N 2.85Å; G151-D156 PolarHBondContact O-N 3.26Å
152	F	96.3	Very high	97.7	Very high	67 Å²	67	72.6 Å²	72.6	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-44.8	178.7	-161.8	-84.1	0	0	0	111.2	A148 E149 K154 R155 F157 V160 L180	A148-F152 WeakPolarHBondContact O-CB 3.44Å; A148-F152 PolarHBondContact O-N 3.03Å; E149-F152 PolarHBondContact O-N 3.11Å; E149-F152 VanDerWaalsContact O-N 3.14Å; F152-K154 PolarHBondContact O-N 3.34Å; F152-R155 PolarHBondContact O-N 3.21Å; F152-F157 HydrophobicContact CD2-CD1 4.41Å; F152-F157 HydrophobicContact CD2-CE1 4.22Å; F152-F157 HydrophobicContact CE2-CE1 4.21Å; F152-V160 HydrophobicContact CB-CG2 4.13Å; F152-L180 HydrophobicContact CD2-CD1 3.87Å; F152-L180 HydrophobicContact CE2-CD1 3.88Å
153	E	96.1	Very high	97.8	Very high	158 Å²	158	70.3 Å²	70.3	74%	0.738	31%	0.308	S	S	*	.	H	α-helix	trans	-60.1	-43.7	176.2	-71.5	179.1	173	0	0	112.5	E149 R155	E149-E153 WeakPolarHBondContact O-CG 3.45Å; E149-E153 PolarHBondContact O-N 2.83Å; E153-R155 PolarHBondContact O-N 3.42Å
154	K	96.5	Very high	97.8	Very high	158 Å²	158	66.6 Å²	66.6	69%	0.687	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.7	176.6	-68	178.6	-178.6	176.2	0	113.4	I150 G151 F152 D156	I150-K154 HydrophobicContact CG2-CD 4.02Å; I150-K154 WeakPolarHBondContact O-CB 3.5Å; I150-K154 WeakPolarHBondContact O-CG 3.27Å; I150-K154 PolarHBondContact O-N 3.36Å; G151-K154 CarbonylContact O-C 3.46Å; G151-K154 PolarHBondContact O-N 2.84Å; F152-K154 PolarHBondContact O-N 3.34Å; K154-D156 PolarHBondContact O-N 2.91Å
155	R	95.1	Very high	97.8	Very high	126 Å²	126	66.8 Å²	66.8	48%	0.475	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	25	-173.5	-54.1	-174.4	61.8	-165.1	-3.9	114	G151 F152 E153 F157 N287	G151-R155 CarbonylContact O-C 3.59Å; G151-R155 PolarHBondContact O-N 2.85Å; F152-R155 PolarHBondContact O-N 3.21Å; E153-R155 PolarHBondContact O-N 3.42Å; R155-F157 HydrophobicContact CB-CE1 4.39Å; R155-F157 HydrophobicContact CB-CE2 3.97Å; R155-F157 HydrophobicContact CB-CZ 3.81Å; R155-F157 HydrophobicContact CG-CZ 4.03Å; R155-F157 PolarHBondContact O-N 2.88Å; R155-N287 PolarHBondContact NH1-ND2 3.26Å; R155-N287 PolarHBondContact NH1-OD1 2.98Å; R155-N287 PolarHBondContact NH2-ND2 3.45Å; R155-N287 PolarHBondContact NH2-OD1 3.34Å
156	D	97.5	Very high	97.8	Very high	73 Å²	73	70 Å²	70	39%	0.39	31%	0.307	S	S	.	.			trans	-80.7	71.9	166.7	-170	-12.4	0	0	0	109.7	G151 K154 R158 M159 V160	G151-D156 PolarHBondContact O-N 3.26Å; K154-D156 PolarHBondContact O-N 2.91Å; D156-R158 PolarHBondContact O-N 3.37Å; D156-R158 PolarHBondContact OD1-N 3.42Å; D156-M159 HydrophobicContact CB-CB 4.2Å; D156-M159 HydrophobicContact CB-CE 4.46Å; D156-M159 PolarHBondContact O-N 3.25Å; D156-M159 VanDerWaalsContact O-N 3.16Å; D156-M159 PolarHBondContact OD1-N 3.39Å; D156-V160 PolarHBondContact O-N 2.68Å
157	F	97.9	Very high	97.8	Very high	18 Å²	18	64.2 Å²	64.2	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-19.5	-179.6	-56.5	-51.6	0	0	0	112.7	F152 R155 V161 C184 L187 L188	F152-F157 HydrophobicContact CD2-CD1 4.41Å; F152-F157 HydrophobicContact CD2-CE1 4.22Å; F152-F157 HydrophobicContact CE2-CE1 4.21Å; R155-F157 HydrophobicContact CB-CE1 4.39Å; R155-F157 HydrophobicContact CB-CE2 3.97Å; R155-F157 HydrophobicContact CB-CZ 3.81Å; R155-F157 HydrophobicContact CG-CZ 4.03Å; R155-F157 PolarHBondContact O-N 2.88Å; F157-V161 VanDerWaalsContact O-CG2 3.3Å; F157-V161 WeakPolarHBondContact O-CG2 3.44Å; F157-V161 PolarHBondContact O-N 3.47Å; F157-C184 HydrophobicContact CB-CB 4.01Å; F157-C184 HydrophobicContact CD1-CB 4.44Å; F157-L187 HydrophobicContact CD1-CD1 4.08Å; F157-L187 HydrophobicContact CD2-CB 3.78Å; F157-L187 HydrophobicContact CD2-CD1 4.47Å; F157-L187 HydrophobicContact CE1-CD1 3.67Å; F157-L187 HydrophobicContact CE2-CB 3.84Å; F157-L187 HydrophobicContact CE2-CD1 4.1Å; F157-L187 HydrophobicContact CE2-CG 4.43Å; F157-L187 HydrophobicContact CG-CB 4.2Å; F157-L187 HydrophobicContact CG-CD1 4.47Å; F157-L187 HydrophobicContact CZ-CB 4.31Å; F157-L187 HydrophobicContact CZ-CD1 3.68Å; F157-L187 HydrophobicContact CZ-CG 4.46Å; F157-L188 HydrophobicContact CB-CD1 4.05Å; F157-L188 HydrophobicContact CB-CD2 3.95Å; F157-L188 HydrophobicContact CB-CG 3.75Å
158	R	98.2	Very high	97.7	Very high	195 Å²	195	63 Å²	63	74%	0.736	28%	0.279	S	S	*	.	H	α-helix	trans	-70	-43.8	174.5	-68.1	-176.3	179.7	175.6	0.1	110.5	D156 V160 V161 F162 L188	D156-R158 PolarHBondContact O-N 3.37Å; D156-R158 PolarHBondContact OD1-N 3.42Å; R158-V160 VanDerWaalsContact C-N 3.34Å; R158-V161 PolarHBondContact O-N 2.85Å; R158-F162 PolarHBondContact O-N 2.91Å; R158-L188 HydrophobicContact CG-CD1 4Å; R158-L188 HydrophobicContact CG-CD2 3.84Å
159	M	98.4	Very high	97.6	Very high	49 Å²	49	69 Å²	69	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-42.8	173.5	-175.9	169.3	65.7	0	0	111.3	M147 D156 V161 F162 C163	M147-M159 HydrophobicContact CE-SD 4.22Å; D156-M159 HydrophobicContact CB-CB 4.2Å; D156-M159 HydrophobicContact CB-CE 4.46Å; D156-M159 PolarHBondContact O-N 3.25Å; D156-M159 VanDerWaalsContact O-N 3.16Å; D156-M159 PolarHBondContact OD1-N 3.39Å; M159-V161 PolarHBondContact O-N 3.18Å; M159-F162 WeakPolarHBondContact O-CB 3.41Å; M159-F162 PolarHBondContact O-N 2.91Å; M159-C163 PolarHBondContact O-N 2.89Å; M159-C163 PolarHBondContact O-SG 2.81Å
160	V	98.7	Very high	97.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-47.2	177	-177.2	0	0	0	0	111.6	A148 F152 D156 R158 F162 C163 M164 L180 C184	A148-V160 HydrophobicContact CB-CG1 4.15Å; A148-V160 WeakPolarHBondContact O-CG2 3.45Å; F152-V160 HydrophobicContact CB-CG2 4.13Å; D156-V160 PolarHBondContact O-N 2.68Å; R158-V160 VanDerWaalsContact C-N 3.34Å; V160-F162 VanDerWaalsContact C-N 3.33Å; V160-F162 PolarHBondContact O-N 3.16Å; V160-C163 PolarHBondContact O-N 2.98Å; V160-M164 HydrophobicContact CG1-CG 4.28Å; V160-M164 VanDerWaalsContact O-CG 3.31Å; V160-M164 WeakPolarHBondContact O-CG 3.39Å; V160-M164 PolarHBondContact O-N 3.02Å; V160-L180 HydrophobicContact CG1-CD1 4.33Å; V160-L180 HydrophobicContact CG1-CD2 4.08Å; V160-L180 HydrophobicContact CG1-CG 3.89Å; V160-C184 HydrophobicContact CB-CB 4.46Å; V160-C184 HydrophobicContact CG1-CB 4.42Å; V160-C184 WeakPolarHBondContact CG1-SG 3.5Å
161	V	98.6	Very high	97.4	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-44.8	177	169.4	0	0	0	0	111	F157 R158 M159 M164 D165 K181 C184 L185 L188	F157-V161 VanDerWaalsContact O-CG2 3.3Å; F157-V161 WeakPolarHBondContact O-CG2 3.44Å; F157-V161 PolarHBondContact O-N 3.47Å; R158-V161 PolarHBondContact O-N 2.85Å; M159-V161 PolarHBondContact O-N 3.18Å; V161-M164 PolarHBondContact O-N 3.15Å; V161-D165 WeakPolarHBondContact O-CB 3.47Å; V161-D165 PolarHBondContact O-N 3.42Å; V161-K181 HydrophobicContact CG1-CG 4.31Å; V161-K181 HydrophobicContact CG2-CG 4.47Å; V161-C184 HydrophobicContact CG2-CB 3.72Å; V161-L185 HydrophobicContact CG1-CD2 4.25Å; V161-L185 HydrophobicContact CG2-CD2 4.13Å; V161-L185 HydrophobicContact CG2-CG 4.07Å; V161-L188 HydrophobicContact CG2-CD1 4.23Å
162	F	98.4	Very high	97.1	Very high	100 Å²	100	65.4 Å²	65.4	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-48.5	176	170.6	-93.8	0	0	0	112.3	Y144 R158 M159 V160 M164 D165 R166	Y144-F162 HydrophobicContact CE1-CE1 4.49Å; R158-F162 PolarHBondContact O-N 2.91Å; M159-F162 WeakPolarHBondContact O-CB 3.41Å; M159-F162 PolarHBondContact O-N 2.91Å; V160-F162 VanDerWaalsContact C-N 3.33Å; V160-F162 PolarHBondContact O-N 3.16Å; F162-M164 VanDerWaalsContact C-N 3.34Å; F162-M164 PolarHBondContact O-N 3.4Å; F162-D165 PolarHBondContact O-N 2.83Å; F162-R166 HydrophobicContact CE1-CG 4.11Å; F162-R166 HydrophobicContact CE2-CG 4.15Å; F162-R166 HydrophobicContact CZ-CG 3.89Å; F162-R166 WeakPolarHBondContact O-CG 2.81Å; F162-R166 PolarHBondContact O-N 3.44Å
163	C	98.5	Very high	97	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-43.1	178.4	-68.8	0	0	0	0	111.6	Y144 M147 A148 M159 V160 R166 A167	Y144-C163 HydrophobicContact CD1-CB 4.37Å; Y144-C163 WeakPolarHBondContact O-CB 3.44Å; M147-C163 VanDerWaalsContact CB-SG 3.56Å; A148-C163 HydrophobicContact CB-CB 4.02Å; M159-C163 PolarHBondContact O-N 2.89Å; M159-C163 PolarHBondContact O-SG 2.81Å; V160-C163 PolarHBondContact O-N 2.98Å; C163-R166 PolarHBondContact O-N 3.49Å; C163-A167 WeakPolarHBondContact O-CB 3.42Å; C163-A167 PolarHBondContact O-N 3.18Å
164	M	98.5	Very high	97	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-37.8	177.5	-66	-57.9	94.9	0	0	112.2	A148 V160 V161 F162 A167 L168 F177 L180 K181	A148-M164 HydrophobicContact CB-CE 3.58Å; V160-M164 HydrophobicContact CG1-CG 4.28Å; V160-M164 VanDerWaalsContact O-CG 3.31Å; V160-M164 WeakPolarHBondContact O-CG 3.39Å; V160-M164 PolarHBondContact O-N 3.02Å; V161-M164 PolarHBondContact O-N 3.15Å; F162-M164 VanDerWaalsContact C-N 3.34Å; F162-M164 PolarHBondContact O-N 3.4Å; M164-A167 PolarHBondContact O-N 3.1Å; M164-L168 VanDerWaalsContact O-CB 3.29Å; M164-L168 WeakPolarHBondContact O-CB 3.41Å; M164-L168 WeakPolarHBondContact O-CD1 3.41Å; M164-L168 WeakPolarHBondContact O-CG 3.23Å; M164-L168 PolarHBondContact O-N 3.39Å; M164-F177 HydrophobicContact CE-CD1 4.23Å; M164-F177 HydrophobicContact SD-CB 3.69Å; M164-F177 HydrophobicContact SD-CD1 3.57Å; M164-F177 VanDerWaalsContact SD-CD1 3.57Å; M164-F177 HydrophobicContact SD-CE1 4.45Å; M164-F177 HydrophobicContact SD-CG 3.81Å; M164-L180 HydrophobicContact CE-CD2 4.37Å; M164-L180 HydrophobicContact CG-CB 4.4Å; M164-L180 HydrophobicContact CG-CD2 4.33Å; M164-L180 HydrophobicContact CG-CG 4.31Å; M164-L180 HydrophobicContact SD-CB 4.23Å; M164-L180 HydrophobicContact SD-CD2 3.81Å; M164-L180 HydrophobicContact SD-CG 4.29Å; M164-K181 HydrophobicContact CB-CB 3.83Å; M164-K181 HydrophobicContact CB-CG 4.46Å; M164-K181 HydrophobicContact CG-CB 4.25Å
165	D	98.1	Very high	96.8	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-47.1	174	-81.6	-32.9	0	0	0	111.5	V161 F162 L168 E169 K181	V161-D165 WeakPolarHBondContact O-CB 3.47Å; V161-D165 PolarHBondContact O-N 3.42Å; F162-D165 PolarHBondContact O-N 2.83Å; D165-L168 PolarHBondContact O-N 3.21Å; D165-E169 PolarHBondContact O-N 3.37Å; D165-K181 WeakPolarHBondContact OD1-CD 3.22Å; D165-K181 WeakPolarHBondContact OD1-CE 3.12Å; D165-K181 IonicContact OD1-NZ 2.78Å; D165-K181 PolarHBondContact OD1-NZ 2.91Å; D165-K181 IonicContact OD2-NZ 3.73Å
166	R	98.1	Very high	96.8	Very high	102 Å²	102	51.7 Å²	51.7	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-41.7	176.8	-65	-55	-173.7	177.4	3.2	112.9	Y144 F162 C163 L168 E169	Y144-R166 HydrophobicContact CD1-CB 4.21Å; Y144-R166 HydrophobicContact CD2-CB 3.91Å; Y144-R166 HydrophobicContact CE1-CB 3.8Å; Y144-R166 HydrophobicContact CE1-CG 4.09Å; Y144-R166 HydrophobicContact CE2-CB 3.48Å; Y144-R166 VanDerWaalsContact CE2-CB 3.48Å; Y144-R166 HydrophobicContact CE2-CG 4.45Å; Y144-R166 HydrophobicContact CG-CB 4.27Å; Y144-R166 VanDerWaalsContact CZ-CB 3.42Å; F162-R166 HydrophobicContact CE1-CG 4.11Å; F162-R166 HydrophobicContact CE2-CG 4.15Å; F162-R166 HydrophobicContact CZ-CG 3.89Å; F162-R166 WeakPolarHBondContact O-CG 2.81Å; F162-R166 PolarHBondContact O-N 3.44Å; C163-R166 PolarHBondContact O-N 3.49Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 2.82Å; R166-E169 WeakPolarHBondContact CD-OE1 3.38Å; R166-E169 IonicContact CZ-OE1 3.56Å; R166-E169 IonicContact NE-OE1 3.59Å; R166-E169 IonicContact NH1-OE1 3.51Å; R166-E169 PolarHBondContact NH1-OE1 3.38Å; R166-E169 IonicContact NH1-OE2 2.77Å; R166-E169 WeakPolarHBondContact O-CB 3.43Å; R166-E169 PolarHBondContact O-N 2.9Å
167	A	98	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-37.3	176.9	0	0	0	0	0	111.9	I141 Y144 C163 M164 E169 C170 A171 F177	I141-A167 HydrophobicContact CG1-CB 4.49Å; I141-A167 HydrophobicContact CG2-CB 4.5Å; Y144-A167 HydrophobicContact CD2-CB 4.47Å; C163-A167 WeakPolarHBondContact O-CB 3.42Å; C163-A167 PolarHBondContact O-N 3.18Å; M164-A167 PolarHBondContact O-N 3.1Å; A167-E169 VanDerWaalsContact C-N 3.26Å; A167-E169 PolarHBondContact O-N 3.46Å; A167-C170 PolarHBondContact O-N 2.91Å; A167-A171 WeakPolarHBondContact O-CB 3.42Å; A167-A171 PolarHBondContact O-N 2.74Å; A167-F177 HydrophobicContact CB-CD2 3.76Å; A167-F177 HydrophobicContact CB-CE2 3.8Å; A167-F177 HydrophobicContact CB-CG 4.47Å
168	L	97.6	Very high	96.9	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	24%	0.236	C	C	.	.	H	α-helix	trans	-70.1	-16.8	179.9	-74.6	168.7	0	0	0	114	M164 D165 R166 C170 A171 S172 F177 K178 K181	M164-L168 VanDerWaalsContact O-CB 3.29Å; M164-L168 WeakPolarHBondContact O-CB 3.41Å; M164-L168 WeakPolarHBondContact O-CD1 3.41Å; M164-L168 WeakPolarHBondContact O-CG 3.23Å; M164-L168 PolarHBondContact O-N 3.39Å; D165-L168 PolarHBondContact O-N 3.21Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 2.82Å; L168-C170 PolarHBondContact O-N 3.11Å; L168-A171 WeakPolarHBondContact CD2-O 3.39Å; L168-S172 WeakPolarHBondContact O-CA 3.25Å; L168-S172 PolarHBondContact O-N 3.23Å; L168-F177 HydrophobicContact CD1-CB 4.47Å; L168-F177 HydrophobicContact CD2-CB 3.82Å; L168-F177 HydrophobicContact CG-CB 3.98Å; L168-K178 HydrophobicContact CD1-CG 4.09Å; L168-K178 HydrophobicContact CD2-CG 3.79Å; L168-K181 HydrophobicContact CD1-CD 4.26Å
169	E	96	Very high	96.8	Very high	128 Å²	128	41.7 Å²	41.7	60%	0.598	20%	0.204	S	C	*	.	H	α-helix	trans	-61.2	-35.2	170.9	-66.3	175.4	-163.9	0	0	111.2	D165 R166 A167	D165-E169 PolarHBondContact O-N 3.37Å; R166-E169 WeakPolarHBondContact CD-OE1 3.38Å; R166-E169 IonicContact CZ-OE1 3.56Å; R166-E169 IonicContact NE-OE1 3.59Å; R166-E169 IonicContact NH1-OE1 3.51Å; R166-E169 PolarHBondContact NH1-OE1 3.38Å; R166-E169 IonicContact NH1-OE2 2.77Å; R166-E169 WeakPolarHBondContact O-CB 3.43Å; R166-E169 PolarHBondContact O-N 2.9Å; A167-E169 VanDerWaalsContact C-N 3.26Å; A167-E169 PolarHBondContact O-N 3.46Å
170	C	93.8	Very high	96.8	Very high	42 Å²	42	41.1 Å²	41.1	28%	0.284	20%	0.202	S	C	.	.	H	α-helix	trans	-102.2	-28.6	177.7	-61.8	0	0	0	0	113.2	L106 I141 A167 L168	L106-C170 HydrophobicContact CD2-CB 4.4Å; I141-C170 HydrophobicContact CD1-CB 3.92Å; I141-C170 HydrophobicContact CG1-CB 4.44Å; A167-C170 PolarHBondContact O-N 2.91Å; L168-C170 PolarHBondContact O-N 3.11Å
171	A	96.6	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.			trans	-110.5	51.6	-177.2	0	0	0	0	0	112.5	L106 S107 I141 A167 L168 A173 C174 F177	L106-A171 WeakPolarHBondContact O-CA 3.43Å; L106-A171 VanDerWaalsContact O-CB 3.23Å; L106-A171 WeakPolarHBondContact O-CB 3.43Å; S107-A171 CarbonylContact O-C 3.58Å; I141-A171 HydrophobicContact CD1-CB 3.96Å; A167-A171 WeakPolarHBondContact O-CB 3.42Å; A167-A171 PolarHBondContact O-N 2.74Å; L168-A171 WeakPolarHBondContact CD2-O 3.39Å; A171-A173 PolarHBondContact O-N 3.05Å; A171-C174 HydrophobicContact CB-CB 3.89Å; A171-C174 VanDerWaalsContact O-CB 3.26Å; A171-C174 WeakPolarHBondContact O-CB 3.49Å; A171-C174 PolarHBondContact O-N 3.44Å; A171-F177 HydrophobicContact CB-CD2 3.9Å; A171-F177 HydrophobicContact CB-CE2 3.77Å
172	S	93.2	Very high	96.8	Very high	58 Å²	58	42.8 Å²	42.8	41%	0.406	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.1	-169.8	65.5	0	0	0	0	115	L168 K178	L168-S172 WeakPolarHBondContact O-CA 3.25Å; L168-S172 PolarHBondContact O-N 3.23Å; S172-K178 WeakPolarHBondContact O-CE 3.36Å; S172-K178 PolarHBondContact O-NZ 3.47Å
173	A	93.7	Very high	96.8	Very high	18 Å²	18	38.5 Å²	38.5	15%	0.149	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	2.8	179.3	0	0	0	0	0	113.9	Y77 S107 A171 H175	Y77-A173 HydrophobicContact CD2-CB 3.39Å; Y77-A173 HydrophobicContact CE2-CB 3.65Å; Y77-A173 HydrophobicContact CG-CB 4.31Å; S107-A173 CarbonylContact O-C 3.4Å; S107-A173 WeakPolarHBondContact O-CA 3.37Å; S107-A173 WeakPolarHBondContact O-CB 3.48Å; S107-A173 PolarHBondContact O-N 3.09Å; S107-A173 VanDerWaalsContact O-N 3.13Å; A171-A173 PolarHBondContact O-N 3.05Å; A173-H175 PolarHBondContact O-N 3.06Å; A173-H175 VanDerWaalsContact O-N 3.11Å; A173-H175 PolarHBondContact O-ND1 3.31Å
174	C	95.5	Very high	96.8	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.034	19%	0.19	C	C	.	.			trans	-72.5	104.8	-179.9	-177	0	0	0	0	111.5	S107 A171 K176 F177 K178	S107-C174 PolarHBondContact O-N 3.42Å; A171-C174 HydrophobicContact CB-CB 3.89Å; A171-C174 VanDerWaalsContact O-CB 3.26Å; A171-C174 WeakPolarHBondContact O-CB 3.49Å; A171-C174 PolarHBondContact O-N 3.44Å; C174-K176 VanDerWaalsContact C-N 3.35Å; C174-F177 HydrophobicContact CB-CB 4.27Å; C174-F177 HydrophobicContact CB-CD2 3.65Å; C174-F177 HydrophobicContact CB-CE2 4.18Å; C174-F177 HydrophobicContact CB-CG 4.05Å; C174-F177 WeakPolarHBondContact SG-CD2 3.35Å; C174-F177 WeakPolarHBondContact SG-CG 3.28Å; C174-F177 PolarHBondContact SG-N 2.89Å; C174-F177 VanDerWaalsContact SG-N 3.44Å; C174-K178 WeakPolarHBondContact O-CG 3.29Å; C174-K178 PolarHBondContact O-N 3.44Å
175	H	93.1	Very high	96.8	Very high	71 Å²	71	38.5 Å²	38.5	33%	0.329	19%	0.19	S	C	.	.	H	α-helix	trans	-66	-37.3	176.4	-69.6	84.9	0	0	0	111.8	A173 F177 K178 I179	A173-H175 PolarHBondContact O-N 3.06Å; A173-H175 VanDerWaalsContact O-N 3.11Å; A173-H175 PolarHBondContact O-ND1 3.31Å; H175-F177 VanDerWaalsContact C-N 3.33Å; H175-F177 PolarHBondContact O-N 3.26Å; H175-K178 PolarHBondContact O-N 2.76Å; H175-I179 WeakPolarHBondContact O-CB 3.36Å; H175-I179 VanDerWaalsContact O-CG1 3.3Å; H175-I179 WeakPolarHBondContact O-CG1 3.45Å; H175-I179 PolarHBondContact O-N 2.99Å
176	K	95.1	Very high	96.8	Very high	126 Å²	126	35.5 Å²	35.5	55%	0.548	17%	0.174	S	C	.	.	H	α-helix	trans	-54.8	-47.4	177.7	-178.7	-168.6	172.4	-161.6	0	111.4	E145 C174 I179 L180	E145-K176 IonicContact OE1-NZ 3.74Å; E145-K176 PolarHBondContact OE1-NZ 3.36Å; C174-K176 VanDerWaalsContact C-N 3.35Å; K176-I179 PolarHBondContact O-N 3.27Å; K176-L180 WeakPolarHBondContact O-CB 3.39Å; K176-L180 PolarHBondContact O-N 3.43Å
177	F	97.9	Very high	96.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-40.6	179.5	-61.4	-17.9	0	0	0	112.4	I141 E145 M164 A167 L168 A171 C174 H175 L180 K181	I141-F177 HydrophobicContact CG2-CE2 3.82Å; I141-F177 HydrophobicContact CG2-CZ 3.74Å; E145-F177 HydrophobicContact CG-CE1 3.72Å; E145-F177 HydrophobicContact CG-CZ 3.81Å; E145-F177 VanDerWaalsContact OE1-CE1 3.3Å; E145-F177 WeakPolarHBondContact OE1-CE1 3.46Å; M164-F177 HydrophobicContact CE-CD1 4.23Å; M164-F177 HydrophobicContact SD-CB 3.69Å; M164-F177 HydrophobicContact SD-CD1 3.57Å; M164-F177 VanDerWaalsContact SD-CD1 3.57Å; M164-F177 HydrophobicContact SD-CE1 4.45Å; M164-F177 HydrophobicContact SD-CG 3.81Å; A167-F177 HydrophobicContact CB-CD2 3.76Å; A167-F177 HydrophobicContact CB-CE2 3.8Å; A167-F177 HydrophobicContact CB-CG 4.47Å; L168-F177 HydrophobicContact CD1-CB 4.47Å; L168-F177 HydrophobicContact CD2-CB 3.82Å; L168-F177 HydrophobicContact CG-CB 3.98Å; A171-F177 HydrophobicContact CB-CD2 3.9Å; A171-F177 HydrophobicContact CB-CE2 3.77Å; C174-F177 HydrophobicContact CB-CB 4.27Å; C174-F177 HydrophobicContact CB-CD2 3.65Å; C174-F177 HydrophobicContact CB-CE2 4.18Å; C174-F177 HydrophobicContact CB-CG 4.05Å; C174-F177 WeakPolarHBondContact SG-CD2 3.35Å; C174-F177 WeakPolarHBondContact SG-CG 3.28Å; C174-F177 PolarHBondContact SG-N 2.89Å; C174-F177 VanDerWaalsContact SG-N 3.44Å; H175-F177 VanDerWaalsContact C-N 3.33Å; H175-F177 PolarHBondContact O-N 3.26Å; F177-L180 PolarHBondContact O-N 3.3Å; F177-K181 VanDerWaalsContact O-CB 3.25Å; F177-K181 WeakPolarHBondContact O-CB 3.35Å; F177-K181 PolarHBondContact O-N 3.22Å
178	K	98	Very high	96.5	Very high	63 Å²	63	35.5 Å²	35.5	27%	0.274	18%	0.181	S	C	.	.	H	α-helix	trans	-61.1	-45.2	175.2	-68.5	178.1	-174	176.6	0	111.8	L168 S172 C174 H175 A182 V197 I201	L168-K178 HydrophobicContact CD1-CG 4.09Å; L168-K178 HydrophobicContact CD2-CG 3.79Å; S172-K178 WeakPolarHBondContact O-CE 3.36Å; S172-K178 PolarHBondContact O-NZ 3.47Å; C174-K178 WeakPolarHBondContact O-CG 3.29Å; C174-K178 PolarHBondContact O-N 3.44Å; H175-K178 PolarHBondContact O-N 2.76Å; K178-A182 WeakPolarHBondContact O-CB 3.33Å; K178-A182 PolarHBondContact O-N 3.05Å; K178-V197 HydrophobicContact CB-CG1 3.87Å; K178-V197 WeakPolarHBondContact O-CG1 3.27Å; K178-I201 HydrophobicContact CB-CD1 3.94Å
179	I	98	Very high	96.3	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-50.1	177.5	-72.5	-62.2	0	0	0	111.1	H175 K176 K181 A182 E183 I201 D210 A211	H175-I179 WeakPolarHBondContact O-CB 3.36Å; H175-I179 VanDerWaalsContact O-CG1 3.3Å; H175-I179 WeakPolarHBondContact O-CG1 3.45Å; H175-I179 PolarHBondContact O-N 2.99Å; K176-I179 PolarHBondContact O-N 3.27Å; I179-K181 VanDerWaalsContact C-N 3.3Å; I179-K181 PolarHBondContact O-N 3.47Å; I179-A182 PolarHBondContact O-N 3.03Å; I179-E183 WeakPolarHBondContact O-CB 3.47Å; I179-E183 PolarHBondContact O-N 3.39Å; I179-I201 HydrophobicContact CD1-CD1 3.4Å; I179-I201 VanDerWaalsContact CD1-CD1 3.4Å; I179-I201 HydrophobicContact CG1-CD1 3.74Å; I179-D210 HydrophobicContact CB-CB 4.45Å; I179-D210 HydrophobicContact CD1-CB 4.02Å; I179-D210 HydrophobicContact CG1-CB 4.05Å; I179-D210 HydrophobicContact CG2-CB 3.6Å; I179-A211 HydrophobicContact CD1-CB 3.8Å
180	L	98.3	Very high	96.4	Very high	36 Å²	36	34.5 Å²	34.5	19%	0.188	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-42.4	-179.8	-178.9	57.8	0	0	0	111.1	F152 V160 M164 K176 F177 A182 E183 C184	F152-L180 HydrophobicContact CD2-CD1 3.87Å; F152-L180 HydrophobicContact CE2-CD1 3.88Å; V160-L180 HydrophobicContact CG1-CD1 4.33Å; V160-L180 HydrophobicContact CG1-CD2 4.08Å; V160-L180 HydrophobicContact CG1-CG 3.89Å; M164-L180 HydrophobicContact CE-CD2 4.37Å; M164-L180 HydrophobicContact CG-CB 4.4Å; M164-L180 HydrophobicContact CG-CD2 4.33Å; M164-L180 HydrophobicContact CG-CG 4.31Å; M164-L180 HydrophobicContact SD-CB 4.23Å; M164-L180 HydrophobicContact SD-CD2 3.81Å; M164-L180 HydrophobicContact SD-CG 4.29Å; K176-L180 WeakPolarHBondContact O-CB 3.39Å; K176-L180 PolarHBondContact O-N 3.43Å; F177-L180 PolarHBondContact O-N 3.3Å; L180-A182 PolarHBondContact O-N 3.33Å; L180-E183 PolarHBondContact O-N 3.45Å; L180-C184 WeakPolarHBondContact O-CB 3.23Å; L180-C184 PolarHBondContact O-N 3.03Å; L180-C184 PolarHBondContact O-SG 2.96Å; L180-C184 VanDerWaalsContact O-SG 3.41Å
181	K	98.6	Very high	96.5	Very high	42 Å²	42	33.9 Å²	33.9	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-50	171.2	-179.8	-176.4	170	-177.1	0	111.3	V161 M164 D165 L168 F177 I179 E183 C184 L185	V161-K181 HydrophobicContact CG1-CG 4.31Å; V161-K181 HydrophobicContact CG2-CG 4.47Å; M164-K181 HydrophobicContact CB-CB 3.83Å; M164-K181 HydrophobicContact CB-CG 4.46Å; M164-K181 HydrophobicContact CG-CB 4.25Å; D165-K181 WeakPolarHBondContact OD1-CD 3.22Å; D165-K181 WeakPolarHBondContact OD1-CE 3.12Å; D165-K181 IonicContact OD1-NZ 2.78Å; D165-K181 PolarHBondContact OD1-NZ 2.91Å; D165-K181 IonicContact OD2-NZ 3.73Å; L168-K181 HydrophobicContact CD1-CD 4.26Å; F177-K181 VanDerWaalsContact O-CB 3.25Å; F177-K181 WeakPolarHBondContact O-CB 3.35Å; F177-K181 PolarHBondContact O-N 3.22Å; I179-K181 VanDerWaalsContact C-N 3.3Å; I179-K181 PolarHBondContact O-N 3.47Å; K181-E183 PolarHBondContact O-N 3.19Å; K181-C184 PolarHBondContact O-N 2.59Å; K181-L185 HydrophobicContact CG-CD1 3.99Å; K181-L185 HydrophobicContact CG-CG 4.4Å; K181-L185 WeakPolarHBondContact O-CB 3.47Å; K181-L185 VanDerWaalsContact O-CG 3.26Å; K181-L185 WeakPolarHBondContact O-CG 3.39Å; K181-L185 PolarHBondContact O-N 3.26Å
182	A	98.6	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-39	-177.9	0	0	0	0	0	112.7	K178 I179 L180 L185 A186 A194 V197 V214	K178-A182 WeakPolarHBondContact O-CB 3.33Å; K178-A182 PolarHBondContact O-N 3.05Å; I179-A182 PolarHBondContact O-N 3.03Å; L180-A182 PolarHBondContact O-N 3.33Å; A182-L185 PolarHBondContact O-N 3.08Å; A182-A186 PolarHBondContact O-N 2.95Å; A182-A194 VanDerWaalsContact O-CB 3.22Å; A182-A194 WeakPolarHBondContact O-CB 3.26Å; A182-V197 HydrophobicContact CB-CB 3.86Å; A182-V197 HydrophobicContact CB-CG1 3.82Å; A182-V214 HydrophobicContact CB-CG1 3.83Å; A182-V214 HydrophobicContact CB-CG2 4.43Å
183	E	98.1	Very high	96.8	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-49.2	172.7	-178	178.4	179.7	0	0	111	I179 L180 K181 L185 A186 L187 Y213 V214 L217 K244	I179-E183 WeakPolarHBondContact O-CB 3.47Å; I179-E183 PolarHBondContact O-N 3.39Å; L180-E183 PolarHBondContact O-N 3.45Å; K181-E183 PolarHBondContact O-N 3.19Å; E183-L185 VanDerWaalsContact C-N 3.35Å; E183-L185 PolarHBondContact O-N 3.22Å; E183-A186 WeakPolarHBondContact O-CB 3.49Å; E183-A186 PolarHBondContact O-N 3.21Å; E183-L187 HydrophobicContact CG-CD1 4.2Å; E183-L187 WeakPolarHBondContact O-CG 3.16Å; E183-L187 PolarHBondContact O-N 3.3Å; E183-Y213 HydrophobicContact CG-CE1 4.24Å; E183-V214 HydrophobicContact CB-CG2 4.17Å; E183-L217 HydrophobicContact CG-CD2 4.07Å; E183-K244 WeakPolarHBondContact OE1-CD 3.48Å; E183-K244 IonicContact OE1-NZ 2.74Å; E183-K244 PolarHBondContact OE1-NZ 3.02Å; E183-K244 IonicContact OE2-NZ 3.45Å; E183-K244 PolarHBondContact OE2-NZ 3.32Å
184	C	98.2	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-35.9	177.8	-70.9	0	0	0	0	112.8	F157 V160 V161 L180 K181 A186 L187 L188	F157-C184 HydrophobicContact CB-CB 4.01Å; F157-C184 HydrophobicContact CD1-CB 4.44Å; V160-C184 HydrophobicContact CB-CB 4.46Å; V160-C184 HydrophobicContact CG1-CB 4.42Å; V160-C184 WeakPolarHBondContact CG1-SG 3.5Å; V161-C184 HydrophobicContact CG2-CB 3.72Å; L180-C184 WeakPolarHBondContact O-CB 3.23Å; L180-C184 PolarHBondContact O-N 3.03Å; L180-C184 PolarHBondContact O-SG 2.96Å; L180-C184 VanDerWaalsContact O-SG 3.41Å; K181-C184 PolarHBondContact O-N 2.59Å; C184-A186 VanDerWaalsContact C-N 3.34Å; C184-L187 PolarHBondContact O-N 3.12Å; C184-L188 WeakPolarHBondContact O-CB 3.28Å; C184-L188 VanDerWaalsContact O-CG 3.27Å; C184-L188 WeakPolarHBondContact O-CG 3.32Å; C184-L188 PolarHBondContact O-N 3.37Å
185	L	98.4	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-42.8	172.2	-74.3	169.7	0	0	0	111.4	V161 K181 A182 E183 L188 G189 R190 E193 A194	V161-L185 HydrophobicContact CG1-CD2 4.25Å; V161-L185 HydrophobicContact CG2-CD2 4.13Å; V161-L185 HydrophobicContact CG2-CG 4.07Å; K181-L185 HydrophobicContact CG-CD1 3.99Å; K181-L185 HydrophobicContact CG-CG 4.4Å; K181-L185 WeakPolarHBondContact O-CB 3.47Å; K181-L185 VanDerWaalsContact O-CG 3.26Å; K181-L185 WeakPolarHBondContact O-CG 3.39Å; K181-L185 PolarHBondContact O-N 3.26Å; A182-L185 PolarHBondContact O-N 3.08Å; E183-L185 VanDerWaalsContact C-N 3.35Å; E183-L185 PolarHBondContact O-N 3.22Å; L185-L188 PolarHBondContact O-N 2.98Å; L185-G189 PolarHBondContact O-N 3.28Å; L185-R190 HydrophobicContact CB-CB 4.27Å; L185-R190 HydrophobicContact CD2-CB 3.96Å; L185-R190 HydrophobicContact CD2-CG 4.46Å; L185-R190 VanDerWaalsContact CD2-CZ 3.46Å; L185-R190 WeakPolarHBondContact O-CA 3.47Å; L185-R190 WeakPolarHBondContact O-CB 3.27Å; L185-R190 PolarHBondContact O-N 3.41Å; L185-E193 HydrophobicContact CD1-CB 3.92Å; L185-E193 HydrophobicContact CD2-CB 4.48Å; L185-A194 HydrophobicContact CB-CB 3.85Å
186	A	97.3	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.3	0	0	0	0	0	111.6	A182 E183 C184 L188 G189 Y191 A194 L217	A182-A186 PolarHBondContact O-N 2.95Å; E183-A186 WeakPolarHBondContact O-CB 3.49Å; E183-A186 PolarHBondContact O-N 3.21Å; C184-A186 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 2.97Å; A186-G189 PolarHBondContact O-N 3.01Å; A186-Y191 VanDerWaalsContact O-CE1 3.31Å; A186-Y191 WeakPolarHBondContact O-CE1 3.17Å; A186-A194 HydrophobicContact CB-CB 4.03Å; A186-L217 HydrophobicContact CB-CD2 4Å; A186-L217 HydrophobicContact CB-CG 4.25Å
187	L	95.1	Very high	97.4	Very high	45 Å²	45	36.9 Å²	36.9	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-25.9	176.8	-68.3	166.3	0	0	0	113.4	F157 E183 C184 G189 L217 Y221	F157-L187 HydrophobicContact CD1-CD1 4.08Å; F157-L187 HydrophobicContact CD2-CB 3.78Å; F157-L187 HydrophobicContact CD2-CD1 4.47Å; F157-L187 HydrophobicContact CE1-CD1 3.67Å; F157-L187 HydrophobicContact CE2-CB 3.84Å; F157-L187 HydrophobicContact CE2-CD1 4.1Å; F157-L187 HydrophobicContact CE2-CG 4.43Å; F157-L187 HydrophobicContact CG-CB 4.2Å; F157-L187 HydrophobicContact CG-CD1 4.47Å; F157-L187 HydrophobicContact CZ-CB 4.31Å; F157-L187 HydrophobicContact CZ-CD1 3.68Å; F157-L187 HydrophobicContact CZ-CG 4.46Å; E183-L187 HydrophobicContact CG-CD1 4.2Å; E183-L187 WeakPolarHBondContact O-CG 3.16Å; E183-L187 PolarHBondContact O-N 3.3Å; C184-L187 PolarHBondContact O-N 3.12Å; L187-G189 VanDerWaalsContact C-N 3.29Å; L187-L217 HydrophobicContact CD2-CD2 4.44Å; L187-L217 HydrophobicContact CG-CD2 4.33Å; L187-Y221 HydrophobicContact CD2-CE2 3.73Å
188	L	95.3	Very high	97.4	Very high	57 Å²	57	36.8 Å²	36.8	30%	0.298	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.6	172.7	-72.3	170.4	0	0	0	113.6	F157 R158 V161 C184 L185 A186 R190	F157-L188 HydrophobicContact CB-CD1 4.05Å; F157-L188 HydrophobicContact CB-CD2 3.95Å; F157-L188 HydrophobicContact CB-CG 3.75Å; R158-L188 HydrophobicContact CG-CD1 4Å; R158-L188 HydrophobicContact CG-CD2 3.84Å; V161-L188 HydrophobicContact CG2-CD1 4.23Å; C184-L188 WeakPolarHBondContact O-CB 3.28Å; C184-L188 VanDerWaalsContact O-CG 3.27Å; C184-L188 WeakPolarHBondContact O-CG 3.32Å; C184-L188 PolarHBondContact O-N 3.37Å; L185-L188 PolarHBondContact O-N 2.98Å; A186-L188 PolarHBondContact O-N 2.97Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 HydrophobicContact CB-CG 4.42Å
189	G	94.4	Very high	97.3	Very high	31 Å²	31	35.7 Å²	35.7	32%	0.32	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	8.4	-175.4	0	0	0	0	0	114.9	L185 A186 L187 Y191	L185-G189 PolarHBondContact O-N 3.28Å; A186-G189 PolarHBondContact O-N 3.01Å; L187-G189 VanDerWaalsContact C-N 3.29Å; G189-Y191 WeakPolarHBondContact O-CD2 3.12Å; G189-Y191 WeakPolarHBondContact O-CE2 3.37Å; G189-Y191 PolarHBondContact O-N 3.42Å
190	R	97	Very high	97.2	Very high	105 Å²	105	38.9 Å²	38.9	40%	0.396	21%	0.212	S	C	.	.			trans	-85.5	57.2	177.2	-65	171	67.5	-177.7	3.2	110.4	L185 L188 E193 A194	L185-R190 HydrophobicContact CB-CB 4.27Å; L185-R190 HydrophobicContact CD2-CB 3.96Å; L185-R190 HydrophobicContact CD2-CG 4.46Å; L185-R190 VanDerWaalsContact CD2-CZ 3.46Å; L185-R190 WeakPolarHBondContact O-CA 3.47Å; L185-R190 WeakPolarHBondContact O-CB 3.27Å; L185-R190 PolarHBondContact O-N 3.41Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 HydrophobicContact CB-CG 4.42Å; R190-E193 IonicContact CZ-OE1 3.29Å; R190-E193 VanDerWaalsContact CZ-OE1 3.22Å; R190-E193 IonicContact CZ-OE2 3.23Å; R190-E193 IonicContact NE-OE1 3.74Å; R190-E193 PolarHBondContact NE-OE1 2.84Å; R190-E193 IonicContact NE-OE2 3.89Å; R190-E193 IonicContact NH2-OE1 2.6Å; R190-E193 PolarHBondContact NH2-OE1 3.43Å; R190-E193 IonicContact NH2-OE2 2.58Å; R190-E193 PolarHBondContact NH2-OE2 2.95Å; R190-E193 PolarHBondContact O-N 3.04Å; R190-A194 PolarHBondContact O-N 3.47Å
191	Y	96.3	Very high	97.1	Very high	30 Å²	30	37.4 Å²	37.4	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-42.1	-172.1	-45.8	-59.9	0	0	0	114.5	A186 G189 E193 A194 Q195 C218 Y221 E222	A186-Y191 VanDerWaalsContact O-CE1 3.31Å; A186-Y191 WeakPolarHBondContact O-CE1 3.17Å; G189-Y191 WeakPolarHBondContact O-CD2 3.12Å; G189-Y191 WeakPolarHBondContact O-CE2 3.37Å; G189-Y191 PolarHBondContact O-N 3.42Å; Y191-E193 VanDerWaalsContact C-N 3.3Å; Y191-E193 PolarHBondContact O-N 2.73Å; Y191-A194 PolarHBondContact O-N 2.95Å; Y191-Q195 WeakPolarHBondContact O-CB 3.16Å; Y191-Q195 VanDerWaalsContact O-CG 3.27Å; Y191-Q195 WeakPolarHBondContact O-CG 3.39Å; Y191-Q195 PolarHBondContact O-N 3.49Å; Y191-C218 HydrophobicContact CD1-CB 4.26Å; Y191-Y221 WeakPolarHBondContact OH-CB 3.44Å; Y191-E222 HydrophobicContact CD1-CG 4.44Å; Y191-E222 HydrophobicContact CD2-CG 3.55Å; Y191-E222 HydrophobicContact CE2-CG 3.74Å; Y191-E222 HydrophobicContact CG-CG 3.94Å
192	P	97.6	Very high	97	Very high	99 Å²	99	36.5 Å²	36.5	64%	0.643	20%	0.201	S	C	*	.	H	α-helix	trans	-59.8	-40.4	-179.5	-26	36.3	0	0	0	112.9	S196	P192-S196 PolarHBondContact O-N 3.39Å
193	E	98.1	Very high	96.8	Very high	85 Å²	85	45.8 Å²	45.8	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-70.8	-43.3	179.5	-62	177.9	-103	0	0	111.4	L185 R190 Y191 Q195 S196 V197	L185-E193 HydrophobicContact CD1-CB 3.92Å; L185-E193 HydrophobicContact CD2-CB 4.48Å; R190-E193 IonicContact CZ-OE1 3.29Å; R190-E193 VanDerWaalsContact CZ-OE1 3.22Å; R190-E193 IonicContact CZ-OE2 3.23Å; R190-E193 IonicContact NE-OE1 3.74Å; R190-E193 PolarHBondContact NE-OE1 2.84Å; R190-E193 IonicContact NE-OE2 3.89Å; R190-E193 IonicContact NH2-OE1 2.6Å; R190-E193 PolarHBondContact NH2-OE1 3.43Å; R190-E193 IonicContact NH2-OE2 2.58Å; R190-E193 PolarHBondContact NH2-OE2 2.95Å; R190-E193 PolarHBondContact O-N 3.04Å; Y191-E193 VanDerWaalsContact C-N 3.3Å; Y191-E193 PolarHBondContact O-N 2.73Å; E193-Q195 VanDerWaalsContact C-N 3.35Å; E193-Q195 PolarHBondContact O-N 3.23Å; E193-S196 PolarHBondContact O-N 3.43Å; E193-V197 WeakPolarHBondContact O-CG2 3.41Å; E193-V197 PolarHBondContact O-N 3.29Å
194	A	98.4	Very high	96.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-44.8	173.9	0	0	0	0	0	112	A182 L185 A186 R190 Y191 V197 A198 V214	A182-A194 VanDerWaalsContact O-CB 3.22Å; A182-A194 WeakPolarHBondContact O-CB 3.26Å; L185-A194 HydrophobicContact CB-CB 3.85Å; A186-A194 HydrophobicContact CB-CB 4.03Å; R190-A194 PolarHBondContact O-N 3.47Å; Y191-A194 PolarHBondContact O-N 2.95Å; A194-V197 PolarHBondContact O-N 3.28Å; A194-A198 WeakPolarHBondContact O-CB 3.35Å; A194-A198 PolarHBondContact O-N 3.01Å; A194-V214 HydrophobicContact CB-CG1 4.37Å
195	Q	97.1	Very high	96.2	Very high	64 Å²	64	55.7 Å²	55.7	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-38.1	178.3	-74.1	-176.8	24.2	0	0	112.4	Y191 E193 A198 S199 C218 E222	Y191-Q195 WeakPolarHBondContact O-CB 3.16Å; Y191-Q195 VanDerWaalsContact O-CG 3.27Å; Y191-Q195 WeakPolarHBondContact O-CG 3.39Å; Y191-Q195 PolarHBondContact O-N 3.49Å; E193-Q195 VanDerWaalsContact C-N 3.35Å; E193-Q195 PolarHBondContact O-N 3.23Å; Q195-A198 PolarHBondContact O-N 2.91Å; Q195-S199 VanDerWaalsContact O-CB 3.26Å; Q195-S199 WeakPolarHBondContact O-CB 3.41Å; Q195-S199 PolarHBondContact O-N 2.83Å; Q195-S199 PolarHBondContact O-OG 2.84Å; Q195-C218 HydrophobicContact CG-CB 3.95Å; Q195-E222 PolarHBondContact NE2-OE2 3.22Å
196	S	97.7	Very high	96	Very high	65 Å²	65	59.6 Å²	59.6	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-58.6	-52.7	175.4	-169	0	0	0	0	110.6	P192 E193 A198 S199 D200	P192-S196 PolarHBondContact O-N 3.39Å; E193-S196 PolarHBondContact O-N 3.43Å; S196-A198 PolarHBondContact O-N 3.13Å; S196-S199 PolarHBondContact O-N 2.75Å; S196-S199 VanDerWaalsContact O-N 3.17Å; S196-D200 PolarHBondContact O-N 3.14Å
197	V	97.4	Very high	95.9	Very high	27 Å²	27	63.2 Å²	63.2	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-45.8	-179.6	178	0	0	0	0	111.4	K178 A182 E193 A194 S199 D200 I201	K178-V197 HydrophobicContact CB-CG1 3.87Å; K178-V197 WeakPolarHBondContact O-CG1 3.27Å; A182-V197 HydrophobicContact CB-CB 3.86Å; A182-V197 HydrophobicContact CB-CG1 3.82Å; E193-V197 WeakPolarHBondContact O-CG2 3.41Å; E193-V197 PolarHBondContact O-N 3.29Å; A194-V197 PolarHBondContact O-N 3.28Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 3.5Å; V197-D200 PolarHBondContact O-N 2.93Å; V197-I201 HydrophobicContact CG1-CD1 4.27Å; V197-I201 WeakPolarHBondContact O-CG1 3.44Å; V197-I201 PolarHBondContact O-N 2.82Å
198	A	97.5	Very high	96	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-37.7	177.7	0	0	0	0	0	112.3	A194 Q195 S196 I201 L202 A211 V214 R215	A194-A198 WeakPolarHBondContact O-CB 3.35Å; A194-A198 PolarHBondContact O-N 3.01Å; Q195-A198 PolarHBondContact O-N 2.91Å; S196-A198 PolarHBondContact O-N 3.13Å; A198-I201 PolarHBondContact O-N 3.44Å; A198-L202 WeakPolarHBondContact O-CB 3.47Å; A198-L202 VanDerWaalsContact O-CG 3.25Å; A198-L202 WeakPolarHBondContact O-CG 3.39Å; A198-L202 PolarHBondContact O-N 2.8Å; A198-A211 HydrophobicContact CB-CB 4.48Å; A198-V214 HydrophobicContact CB-CB 4.26Å; A198-V214 HydrophobicContact CB-CG1 4.04Å; A198-R215 HydrophobicContact CB-CG 3.9Å
199	S	96.8	Very high	96.1	Very high	40 Å²	40	60.2 Å²	60.2	28%	0.28	32%	0.322	S	S	.	.	H	α-helix	trans	-69.3	-38	179	-60.1	0	0	0	0	112.4	Q195 S196 V197 I201 L202 R203	Q195-S199 VanDerWaalsContact O-CB 3.26Å; Q195-S199 WeakPolarHBondContact O-CB 3.41Å; Q195-S199 PolarHBondContact O-N 2.83Å; Q195-S199 PolarHBondContact O-OG 2.84Å; S196-S199 PolarHBondContact O-N 2.75Å; S196-S199 VanDerWaalsContact O-N 3.17Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 3.5Å; S199-I201 VanDerWaalsContact C-N 3.33Å; S199-L202 PolarHBondContact O-N 3.19Å; S199-R203 PolarHBondContact O-N 3.46Å
200	D	95.5	Very high	96.3	Very high	80 Å²	80	62.2 Å²	62.2	43%	0.428	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-40.5	176.3	-68.3	-24.8	0	0	0	111.2	S196 V197 R203	S196-D200 PolarHBondContact O-N 3.14Å; V197-D200 PolarHBondContact O-N 2.93Å; D200-R203 PolarHBondContact O-N 2.66Å; D200-R203 IonicContact OD1-NH2 3.12Å
201	I	95.8	Very high	96.4	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-46.5	174.3	-65	172.4	0	0	0	110.7	K178 I179 V197 A198 S199 R203 M204 D205 N208 A211	K178-I201 HydrophobicContact CB-CD1 3.94Å; I179-I201 HydrophobicContact CD1-CD1 3.4Å; I179-I201 VanDerWaalsContact CD1-CD1 3.4Å; I179-I201 HydrophobicContact CG1-CD1 3.74Å; V197-I201 HydrophobicContact CG1-CD1 4.27Å; V197-I201 WeakPolarHBondContact O-CG1 3.44Å; V197-I201 PolarHBondContact O-N 2.82Å; A198-I201 PolarHBondContact O-N 3.44Å; S199-I201 VanDerWaalsContact C-N 3.33Å; I201-R203 PolarHBondContact O-N 2.89Å; I201-M204 PolarHBondContact O-N 2.96Å; I201-D205 PolarHBondContact O-N 2.74Å; I201-N208 HydrophobicContact CG2-CB 3.97Å; I201-A211 HydrophobicContact CB-CB 4.15Å; I201-A211 HydrophobicContact CG2-CB 3.86Å
202	L	96	Very high	96.5	Very high	22 Å²	22	56 Å²	56	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-21.4	-178.8	-71	167.9	0	0	0	114.1	A198 S199 M204 D205 S206 N208 A211 L212 R215	A198-L202 WeakPolarHBondContact O-CB 3.47Å; A198-L202 VanDerWaalsContact O-CG 3.25Å; A198-L202 WeakPolarHBondContact O-CG 3.39Å; A198-L202 PolarHBondContact O-N 2.8Å; S199-L202 PolarHBondContact O-N 3.19Å; L202-M204 VanDerWaalsContact C-N 3.31Å; L202-D205 WeakPolarHBondContact CA-O 3.49Å; L202-D205 CarbonylContact O-C 3.25Å; L202-S206 VanDerWaalsContact O-CA 3.27Å; L202-S206 WeakPolarHBondContact O-CA 3.37Å; L202-S206 PolarHBondContact O-N 2.94Å; L202-N208 HydrophobicContact CD2-CB 4.35Å; L202-A211 HydrophobicContact CD1-CB 4.25Å; L202-A211 HydrophobicContact CD2-CB 3.88Å; L202-A211 HydrophobicContact CG-CB 3.72Å; L202-L212 HydrophobicContact CD1-CD2 4.17Å; L202-L212 HydrophobicContact CD2-CD2 3.9Å; L202-L212 HydrophobicContact CD2-CG 3.91Å; L202-R215 HydrophobicContact CD1-CG 4.16Å
203	R	95.8	Very high	96.5	Very high	195 Å²	195	52 Å²	52	74%	0.736	28%	0.275	S	S	*	.	H	α-helix	trans	-69.4	-33.3	171.7	-165.4	-173.5	-46.7	-133	5.1	111.7	S199 D200 I201	S199-R203 PolarHBondContact O-N 3.46Å; D200-R203 PolarHBondContact O-N 2.66Å; D200-R203 IonicContact OD1-NH2 3.12Å; I201-R203 PolarHBondContact O-N 2.89Å
204	M	90.5	Very high	96.5	Very high	158 Å²	158	48 Å²	48	78%	0.778	26%	0.256	S	S	*	.	H	α-helix	trans	-85.5	-42.4	178.1	-58.5	-59.6	-65.7	0	0	111.4	I201 L202	I201-M204 PolarHBondContact O-N 2.96Å; L202-M204 VanDerWaalsContact C-N 3.31Å
205	D	92.7	Very high	96.5	Very high	60 Å²	60	52 Å²	52	32%	0.321	27%	0.271	S	S	.	.			trans	-137.6	93.7	179.5	173.1	12.5	0	0	0	109.8	I201 L202 T207 N208	I201-D205 PolarHBondContact O-N 2.74Å; L202-D205 WeakPolarHBondContact CA-O 3.49Å; L202-D205 CarbonylContact O-C 3.25Å; D205-T207 PolarHBondContact O-N 2.74Å; D205-T207 VanDerWaalsContact O-N 3.12Å; D205-T207 WeakPolarHBondContact OD1-CA 3.42Å; D205-T207 PolarHBondContact OD1-N 3.43Å; D205-T207 PolarHBondContact OD1-OG1 3Å; D205-N208 HydrophobicContact CB-CB 4.29Å; D205-N208 WeakPolarHBondContact O-CB 3.47Å; D205-N208 PolarHBondContact O-N 3.48Å; D205-N208 PolarHBondContact OD1-N 3.47Å; D205-N208 WeakPolarHBondContact OD2-CB 3.44Å
206	S	94.5	Very high	96.5	Very high	84 Å²	84	49 Å²	49	59%	0.587	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.2	179.6	68.3	0	0	0	0	114.4	L202	L202-S206 VanDerWaalsContact O-CA 3.27Å; L202-S206 WeakPolarHBondContact O-CA 3.37Å; L202-S206 PolarHBondContact O-N 2.94Å
207	T	95.6	Very high	96.5	Very high	76 Å²	76	46 Å²	46	47%	0.466	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.3	-179.3	62	0	0	0	0	113.2	D205 A209 M238	D205-T207 PolarHBondContact O-N 2.74Å; D205-T207 VanDerWaalsContact O-N 3.12Å; D205-T207 WeakPolarHBondContact OD1-CA 3.42Å; D205-T207 PolarHBondContact OD1-N 3.43Å; D205-T207 PolarHBondContact OD1-OG1 3Å; T207-A209 PolarHBondContact O-N 3.44Å; T207-M238 HydrophobicContact CG2-SD 3.82Å; T207-M238 WeakPolarHBondContact O-CB 3.39Å; T207-M238 WeakPolarHBondContact O-CG 3.49Å
208	N	96.9	Very high	96.6	Very high	25 Å²	25	44.8 Å²	44.8	13%	0.134	23%	0.228	C	C	.	.			trans	-62.2	106.3	-179	-167.1	-78.8	0	0	0	111.8	I201 L202 D205 D210 A211 L212	I201-N208 HydrophobicContact CG2-CB 3.97Å; L202-N208 HydrophobicContact CD2-CB 4.35Å; D205-N208 HydrophobicContact CB-CB 4.29Å; D205-N208 WeakPolarHBondContact O-CB 3.47Å; D205-N208 PolarHBondContact O-N 3.48Å; D205-N208 PolarHBondContact OD1-N 3.47Å; D205-N208 WeakPolarHBondContact OD2-CB 3.44Å; N208-D210 VanDerWaalsContact C-N 3.34Å; N208-D210 PolarHBondContact O-N 2.9Å; N208-D210 PolarHBondContact OD1-N 2.98Å; N208-A211 HydrophobicContact CB-CB 4.04Å; N208-A211 PolarHBondContact O-N 2.91Å; N208-A211 WeakPolarHBondContact OD1-CB 3.44Å; N208-A211 PolarHBondContact OD1-N 3.42Å; N208-L212 WeakPolarHBondContact O-CG 3.21Å; N208-L212 PolarHBondContact O-N 2.68Å; N208-L212 VanDerWaalsContact O-N 3.11Å
209	A	97.8	Very high	96.5	Very high	13 Å²	13	46.1 Å²	46.1	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-37.8	-173.4	0	0	0	0	0	112.6	T207 L212 Y213 A235 M238 A239	T207-A209 PolarHBondContact O-N 3.44Å; A209-L212 PolarHBondContact O-N 3.5Å; A209-Y213 WeakPolarHBondContact O-CB 3.39Å; A209-Y213 PolarHBondContact O-N 3.02Å; A209-A235 WeakPolarHBondContact O-CB 3.4Å; A209-M238 HydrophobicContact CB-CB 4.06Å; A209-A239 HydrophobicContact CB-CB 3.6Å
210	D	98	Very high	96.5	Very high	73 Å²	73	44.4 Å²	44.4	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-67.4	-40.6	178.8	-66.2	-55.6	0	0	0	112.1	I179 N208 Y213 V214 H242	I179-D210 HydrophobicContact CB-CB 4.45Å; I179-D210 HydrophobicContact CD1-CB 4.02Å; I179-D210 HydrophobicContact CG1-CB 4.05Å; I179-D210 HydrophobicContact CG2-CB 3.6Å; N208-D210 VanDerWaalsContact C-N 3.34Å; N208-D210 PolarHBondContact O-N 2.9Å; N208-D210 PolarHBondContact OD1-N 2.98Å; D210-Y213 WeakPolarHBondContact O-CB 3.29Å; D210-Y213 PolarHBondContact O-N 3.02Å; D210-V214 WeakPolarHBondContact O-CG2 3.43Å; D210-V214 PolarHBondContact O-N 3.12Å; D210-H242 IonicContact OD1-CE1 3.95Å; D210-H242 IonicContact OD1-NE2 2.66Å; D210-H242 PolarHBondContact OD1-NE2 3.32Å
211	A	97.9	Very high	96.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-39	176.8	0	0	0	0	0	111.6	I179 A198 I201 L202 N208 Y213 V214 R215	I179-A211 HydrophobicContact CD1-CB 3.8Å; A198-A211 HydrophobicContact CB-CB 4.48Å; I201-A211 HydrophobicContact CB-CB 4.15Å; I201-A211 HydrophobicContact CG2-CB 3.86Å; L202-A211 HydrophobicContact CD1-CB 4.25Å; L202-A211 HydrophobicContact CD2-CB 3.88Å; L202-A211 HydrophobicContact CG-CB 3.72Å; N208-A211 HydrophobicContact CB-CB 4.04Å; N208-A211 PolarHBondContact O-N 2.91Å; N208-A211 WeakPolarHBondContact OD1-CB 3.44Å; N208-A211 PolarHBondContact OD1-N 3.42Å; A211-Y213 VanDerWaalsContact C-N 3.34Å; A211-V214 PolarHBondContact O-N 3.31Å; A211-R215 PolarHBondContact O-N 2.97Å
212	L	98.3	Very high	96.4	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-43.1	171.4	-69	171	0	0	0	111.1	L202 N208 A209 R215 G216 F231 Q234 A235 M238	L202-L212 HydrophobicContact CD1-CD2 4.17Å; L202-L212 HydrophobicContact CD2-CD2 3.9Å; L202-L212 HydrophobicContact CD2-CG 3.91Å; N208-L212 WeakPolarHBondContact O-CG 3.21Å; N208-L212 PolarHBondContact O-N 2.68Å; N208-L212 VanDerWaalsContact O-N 3.11Å; A209-L212 PolarHBondContact O-N 3.5Å; L212-R215 PolarHBondContact O-N 3.47Å; L212-G216 PolarHBondContact O-N 3.12Å; L212-F231 HydrophobicContact CD2-CD1 3.97Å; L212-F231 HydrophobicContact CD2-CE1 4.32Å; L212-Q234 HydrophobicContact CD1-CB 4.3Å; L212-Q234 HydrophobicContact CD1-CG 3.8Å; L212-Q234 HydrophobicContact CD2-CG 4.41Å; L212-A235 HydrophobicContact CB-CB 3.89Å; L212-M238 HydrophobicContact CD1-CG 3.96Å
213	Y	98.6	Very high	96.1	Very high	17 Å²	17	45.2 Å²	45.2	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-47.6	174.4	164.3	-105.9	0	0	0	111.8	E183 A209 D210 A211 R215 G216 L217 F232 H242 K244 A245 A248	E183-Y213 HydrophobicContact CG-CE1 4.24Å; A209-Y213 WeakPolarHBondContact O-CB 3.39Å; A209-Y213 PolarHBondContact O-N 3.02Å; D210-Y213 WeakPolarHBondContact O-CB 3.29Å; D210-Y213 PolarHBondContact O-N 3.02Å; A211-Y213 VanDerWaalsContact C-N 3.34Å; Y213-R215 VanDerWaalsContact C-N 3.33Å; Y213-R215 PolarHBondContact O-N 2.85Å; Y213-G216 CarbonylContact O-C 3.55Å; Y213-G216 WeakPolarHBondContact O-CA 3.01Å; Y213-G216 PolarHBondContact O-N 3.21Å; Y213-G216 VanDerWaalsContact O-N 3.11Å; Y213-L217 HydrophobicContact CE1-CD2 4.39Å; Y213-L217 WeakPolarHBondContact O-CB 3.5Å; Y213-L217 PolarHBondContact O-N 3.48Å; Y213-F232 AromaticContact CD2-CD1 3.89Å; Y213-F232 HydrophobicContact CD2-CD1 3.89Å; Y213-F232 AromaticContact CD2-CE1 3.72Å; Y213-F232 HydrophobicContact CD2-CE1 3.72Å; Y213-F232 HydrophobicContact CE2-CE1 4.04Å; Y213-F232 WeakPolarHBondContact O-CE1 3.24Å; Y213-H242 WeakPolarHBondContact CB-NE2 3.48Å; Y213-H242 AromaticContact CG-NE2 3.86Å; Y213-K244 HydrophobicContact CD2-CB 4.39Å; Y213-K244 HydrophobicContact CE1-CB 4.02Å; Y213-K244 HydrophobicContact CE1-CD 4.01Å; Y213-K244 HydrophobicContact CE2-CB 3.82Å; Y213-A245 HydrophobicContact CD2-CB 3.97Å; Y213-A248 HydrophobicContact CE2-CB 3.88Å
214	V	98.4	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-40.1	177.3	172.2	0	0	0	0	111.8	A182 E183 A194 A198 D210 A211 L217 C218	A182-V214 HydrophobicContact CB-CG1 3.83Å; A182-V214 HydrophobicContact CB-CG2 4.43Å; E183-V214 HydrophobicContact CB-CG2 4.17Å; A194-V214 HydrophobicContact CB-CG1 4.37Å; A198-V214 HydrophobicContact CB-CB 4.26Å; A198-V214 HydrophobicContact CB-CG1 4.04Å; D210-V214 WeakPolarHBondContact O-CG2 3.43Å; D210-V214 PolarHBondContact O-N 3.12Å; A211-V214 PolarHBondContact O-N 3.31Å; V214-L217 WeakPolarHBondContact O-CB 3.3Å; V214-L217 PolarHBondContact O-N 3.25Å; V214-C218 PolarHBondContact O-N 3.11Å; V214-C218 PolarHBondContact O-SG 3.36Å
215	R	97.9	Very high	96.2	Very high	84 Å²	84	31.3 Å²	31.3	32%	0.317	17%	0.17	S	C	.	.	H	α-helix	trans	-61.5	-44.1	173.5	-74.2	-171.4	71.1	148.9	6.8	112.1	A198 L202 A211 L212 Y213 L217 C218 L219 F231	A198-R215 HydrophobicContact CB-CG 3.9Å; L202-R215 HydrophobicContact CD1-CG 4.16Å; A211-R215 PolarHBondContact O-N 2.97Å; L212-R215 PolarHBondContact O-N 3.47Å; Y213-R215 VanDerWaalsContact C-N 3.33Å; Y213-R215 PolarHBondContact O-N 2.85Å; R215-L217 VanDerWaalsContact C-N 3.31Å; R215-L217 PolarHBondContact O-N 2.97Å; R215-C218 PolarHBondContact O-N 2.99Å; R215-L219 WeakPolarHBondContact O-CG 3.49Å; R215-L219 PolarHBondContact O-N 3.29Å; R215-F231 HydrophobicContact CB-CD1 4.12Å; R215-F231 HydrophobicContact CB-CE1 4.35Å; R215-F231 HydrophobicContact CB-CG 4.23Å
216	G	97.9	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-43.3	173.9	0	0	0	0	0	111.9	L212 Y213 C218 L219 Y220 A228 F232	L212-G216 PolarHBondContact O-N 3.12Å; Y213-G216 CarbonylContact O-C 3.55Å; Y213-G216 WeakPolarHBondContact O-CA 3.01Å; Y213-G216 PolarHBondContact O-N 3.21Å; Y213-G216 VanDerWaalsContact O-N 3.11Å; G216-C218 PolarHBondContact O-N 3.4Å; G216-L219 PolarHBondContact O-N 2.84Å; G216-Y220 VanDerWaalsContact O-CB 3.3Å; G216-Y220 WeakPolarHBondContact O-CB 3.43Å; G216-Y220 PolarHBondContact O-N 3Å; G216-A228 VanDerWaalsContact O-CB 3.26Å; G216-A228 WeakPolarHBondContact O-CB 3.4Å; G216-F232 VanDerWaalsContact C-CE1 3.42Å; G216-F232 WeakPolarHBondContact O-CZ 3.29Å
217	L	97.8	Very high	96.3	Very high	4 Å²	4	35 Å²	35	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-43.7	-179.2	-167	65.4	0	0	0	112.2	E183 A186 L187 Y213 V214 R215 Y220 Y221	E183-L217 HydrophobicContact CG-CD2 4.07Å; A186-L217 HydrophobicContact CB-CD2 4Å; A186-L217 HydrophobicContact CB-CG 4.25Å; L187-L217 HydrophobicContact CD2-CD2 4.44Å; L187-L217 HydrophobicContact CG-CD2 4.33Å; Y213-L217 HydrophobicContact CE1-CD2 4.39Å; Y213-L217 WeakPolarHBondContact O-CB 3.5Å; Y213-L217 PolarHBondContact O-N 3.48Å; V214-L217 WeakPolarHBondContact O-CB 3.3Å; V214-L217 PolarHBondContact O-N 3.25Å; R215-L217 VanDerWaalsContact C-N 3.31Å; R215-L217 PolarHBondContact O-N 2.97Å; L217-Y220 HydrophobicContact CD1-CD1 4.48Å; L217-Y220 PolarHBondContact O-N 3.35Å; L217-Y221 HydrophobicContact CD1-CD2 4.01Å; L217-Y221 HydrophobicContact CD1-CE2 3.39Å; L217-Y221 HydrophobicContact CD2-CE2 4.34Å; L217-Y221 HydrophobicContact CG-CD2 3.94Å; L217-Y221 HydrophobicContact CG-CE2 3.67Å; L217-Y221 VanDerWaalsContact O-CD2 3.32Å; L217-Y221 WeakPolarHBondContact O-CD2 3.26Å; L217-Y221 PolarHBondContact O-N 2.97Å; L217-Y221 VanDerWaalsContact O-N 3.11Å
218	C	97.4	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-52.2	174.9	-63.9	0	0	0	0	110.9	Y191 Q195 V214 R215 G216 Y220 Y221 E222	Y191-C218 HydrophobicContact CD1-CB 4.26Å; Q195-C218 HydrophobicContact CG-CB 3.95Å; V214-C218 PolarHBondContact O-N 3.11Å; V214-C218 PolarHBondContact O-SG 3.36Å; R215-C218 PolarHBondContact O-N 2.99Å; G216-C218 PolarHBondContact O-N 3.4Å; C218-Y220 VanDerWaalsContact C-N 3.28Å; C218-Y220 PolarHBondContact O-N 3.2Å; C218-Y221 PolarHBondContact O-N 3.37Å; C218-E222 WeakPolarHBondContact O-CG 3.47Å; C218-E222 PolarHBondContact O-N 3.4Å
219	L	96.8	Very high	96.5	Very high	29 Å²	29	31.2 Å²	31.2	15%	0.152	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-35.4	-179.3	-69.7	168	0	0	0	112.5	R215 G216 E222 D223 C224 K227 A228 F231	R215-L219 WeakPolarHBondContact O-CG 3.49Å; R215-L219 PolarHBondContact O-N 3.29Å; G216-L219 PolarHBondContact O-N 2.84Å; L219-E222 CarbonylContact O-C 3.59Å; L219-E222 PolarHBondContact O-N 3.22Å; L219-D223 PolarHBondContact O-N 3.46Å; L219-C224 HydrophobicContact CB-CB 4.2Å; L219-C224 HydrophobicContact CD2-CB 4.12Å; L219-C224 WeakPolarHBondContact O-CA 3.37Å; L219-C224 WeakPolarHBondContact O-CB 3.19Å; L219-C224 PolarHBondContact O-N 2.91Å; L219-K227 HydrophobicContact CD1-CB 3.89Å; L219-A228 HydrophobicContact CB-CB 3.92Å; L219-F231 HydrophobicContact CD1-CD2 3.47Å; L219-F231 VanDerWaalsContact CD1-CD2 3.47Å; L219-F231 HydrophobicContact CD1-CE2 3.51Å
220	Y	96.6	Very high	96.5	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-45.7	178.6	171	-115.8	0	0	0	111.9	G216 L217 C218 E222 D223 I225 S252 L255 D285 N288	G216-Y220 VanDerWaalsContact O-CB 3.3Å; G216-Y220 WeakPolarHBondContact O-CB 3.43Å; G216-Y220 PolarHBondContact O-N 3Å; L217-Y220 HydrophobicContact CD1-CD1 4.48Å; L217-Y220 PolarHBondContact O-N 3.35Å; C218-Y220 VanDerWaalsContact C-N 3.28Å; C218-Y220 PolarHBondContact O-N 3.2Å; Y220-E222 VanDerWaalsContact C-N 3.27Å; Y220-E222 PolarHBondContact O-N 3.06Å; Y220-D223 PolarHBondContact O-N 3.18Å; Y220-D223 VanDerWaalsContact O-N 3.13Å; Y220-I225 HydrophobicContact CD2-CG1 4.39Å; Y220-S252 WeakPolarHBondContact CD2-OG 3.33Å; Y220-S252 VanDerWaalsContact CE2-OG 3.29Å; Y220-S252 WeakPolarHBondContact CE2-OG 3.49Å; Y220-L255 HydrophobicContact CE2-CD2 4.09Å; Y220-D285 WeakPolarHBondContact CE1-OD2 3.4Å; Y220-D285 VanDerWaalsContact OH-CB 3.26Å; Y220-D285 WeakPolarHBondContact OH-CB 3.45Å; Y220-D285 PolarHBondContact OH-OD2 3.28Å; Y220-N288 WeakPolarHBondContact CE1-ND2 3.45Å; Y220-N288 WeakPolarHBondContact CE2-ND2 3.5Å; Y220-N288 PolarHBondContact O-ND2 2.98Å; Y220-N288 PolarHBondContact OH-ND2 3.1Å
221	Y	95.1	Very high	96.5	Very high	24 Å²	24	35.1 Å²	35.1	9%	0.094	17%	0.169	C	C	.	.	H	α-helix	trans	-75.3	-16.6	176.3	-70.5	-55.7	0	0	0	113.6	L187 Y191 L217 C218 D223 N288 K290	L187-Y221 HydrophobicContact CD2-CE2 3.73Å; Y191-Y221 WeakPolarHBondContact OH-CB 3.44Å; L217-Y221 HydrophobicContact CD1-CD2 4.01Å; L217-Y221 HydrophobicContact CD1-CE2 3.39Å; L217-Y221 HydrophobicContact CD2-CE2 4.34Å; L217-Y221 HydrophobicContact CG-CD2 3.94Å; L217-Y221 HydrophobicContact CG-CE2 3.67Å; L217-Y221 VanDerWaalsContact O-CD2 3.32Å; L217-Y221 WeakPolarHBondContact O-CD2 3.26Å; L217-Y221 PolarHBondContact O-N 2.97Å; L217-Y221 VanDerWaalsContact O-N 3.11Å; C218-Y221 PolarHBondContact O-N 3.37Å; Y221-D223 PolarHBondContact O-N 3.33Å; Y221-N288 HydrophobicContact CD1-CB 4.25Å; Y221-N288 HydrophobicContact CE1-CB 4.18Å; Y221-K290 WeakPolarHBondContact O-CD 3.34Å
222	E	92.9	Very high	96.6	Very high	64 Å²	64	35.1 Å²	35.1	30%	0.299	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	7.3	167.1	-68.3	-177.6	117.9	0	0	113.8	Y191 Q195 C218 L219 Y220 C224	Y191-E222 HydrophobicContact CD1-CG 4.44Å; Y191-E222 HydrophobicContact CD2-CG 3.55Å; Y191-E222 HydrophobicContact CE2-CG 3.74Å; Y191-E222 HydrophobicContact CG-CG 3.94Å; Q195-E222 PolarHBondContact NE2-OE2 3.22Å; C218-E222 WeakPolarHBondContact O-CG 3.47Å; C218-E222 PolarHBondContact O-N 3.4Å; L219-E222 CarbonylContact O-C 3.59Å; L219-E222 PolarHBondContact O-N 3.22Å; Y220-E222 VanDerWaalsContact C-N 3.27Å; Y220-E222 PolarHBondContact O-N 3.06Å; E222-C224 PolarHBondContact O-N 2.96Å
223	D	91.1	Very high	96.6	Very high	35 Å²	35	37 Å²	37	19%	0.187	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	23.1	-176	-168.5	40.2	0	0	0	113.6	L219 Y220 Y221 I225 K259 T291 K294	L219-D223 PolarHBondContact O-N 3.46Å; Y220-D223 PolarHBondContact O-N 3.18Å; Y220-D223 VanDerWaalsContact O-N 3.13Å; Y221-D223 PolarHBondContact O-N 3.33Å; D223-I225 VanDerWaalsContact C-N 3.28Å; D223-I225 PolarHBondContact O-N 3.38Å; D223-K259 IonicContact OD1-NZ 3.46Å; D223-K259 PolarHBondContact OD1-NZ 3.06Å; D223-T291 PolarHBondContact OD1-OG1 2.99Å; D223-K294 IonicContact OD2-NZ 2.66Å; D223-K294 PolarHBondContact OD2-NZ 3.46Å
224	C	93.4	Very high	96.5	Very high	54 Å²	54	39.8 Å²	39.8	37%	0.365	19%	0.194	S	C	.	.			trans	-93	54.2	172	-69.3	0	0	0	0	110.9	L219 E222 D226 K227 A228	L219-C224 HydrophobicContact CB-CB 4.2Å; L219-C224 HydrophobicContact CD2-CB 4.12Å; L219-C224 WeakPolarHBondContact O-CA 3.37Å; L219-C224 WeakPolarHBondContact O-CB 3.19Å; L219-C224 PolarHBondContact O-N 2.91Å; E222-C224 PolarHBondContact O-N 2.96Å; C224-D226 VanDerWaalsContact C-N 3.32Å; C224-D226 PolarHBondContact O-N 3.49Å; C224-K227 PolarHBondContact O-N 3.39Å; C224-A228 PolarHBondContact O-N 3.16Å
225	I	93.6	Very high	96.5	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	19%	0.194	C	C	.	.	H	α-helix	trans	-56	-41.4	-167.2	-59.9	176.8	0	0	0	112.9	Y220 D223 K227 A228 V229 S252 K256	Y220-I225 HydrophobicContact CD2-CG1 4.39Å; D223-I225 VanDerWaalsContact C-N 3.28Å; D223-I225 PolarHBondContact O-N 3.38Å; I225-K227 PolarHBondContact O-N 2.96Å; I225-A228 WeakPolarHBondContact O-CB 3.41Å; I225-A228 PolarHBondContact O-N 2.84Å; I225-V229 HydrophobicContact CG2-CG2 4.2Å; I225-V229 WeakPolarHBondContact O-CG2 3.46Å; I225-V229 PolarHBondContact O-N 3.02Å; I225-S252 WeakPolarHBondContact CG2-O 3.47Å; I225-K256 HydrophobicContact CD1-CB 4.36Å; I225-K256 HydrophobicContact CG2-CB 4.12Å; I225-K256 HydrophobicContact CG2-CD 4.36Å
226	D	94.4	Very high	96.5	Very high	94 Å²	94	37.5 Å²	37.5	50%	0.503	19%	0.188	S	C	.	.	H	α-helix	trans	-62.5	-43.9	-178.2	-73.9	-49.6	0	0	0	112.9	C224 Q230 K256	C224-D226 VanDerWaalsContact C-N 3.32Å; C224-D226 PolarHBondContact O-N 3.49Å; D226-Q230 WeakPolarHBondContact O-CG 3.4Å; D226-Q230 PolarHBondContact O-N 3.43Å; D226-K256 IonicContact OD1-NZ 3.98Å; D226-K256 PolarHBondContact OD1-NZ 3.09Å; D226-K256 IonicContact OD2-NZ 3.5Å; D226-K256 PolarHBondContact OD2-NZ 2.91Å
227	K	96.7	Very high	96.5	Very high	128 Å²	128	46.2 Å²	46.2	56%	0.557	22%	0.221	S	C	*	.	H	α-helix	trans	-68.9	-38.7	175.6	-63.7	-176.8	179.3	178.1	0	110.8	L219 C224 I225 V229 Q230 F231	L219-K227 HydrophobicContact CD1-CB 3.89Å; C224-K227 PolarHBondContact O-N 3.39Å; I225-K227 PolarHBondContact O-N 2.96Å; K227-V229 PolarHBondContact O-N 3.48Å; K227-Q230 WeakPolarHBondContact O-CB 3.3Å; K227-Q230 PolarHBondContact O-N 2.86Å; K227-F231 WeakPolarHBondContact O-CD2 3.27Å; K227-F231 PolarHBondContact O-N 3.39Å
228	A	97.8	Very high	96.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-47.1	176.8	0	0	0	0	0	112.2	G216 L219 C224 I225 Q230 F231 F232	G216-A228 VanDerWaalsContact O-CB 3.26Å; G216-A228 WeakPolarHBondContact O-CB 3.4Å; L219-A228 HydrophobicContact CB-CB 3.92Å; C224-A228 PolarHBondContact O-N 3.16Å; I225-A228 WeakPolarHBondContact O-CB 3.41Å; I225-A228 PolarHBondContact O-N 2.84Å; A228-Q230 VanDerWaalsContact C-N 3.28Å; A228-Q230 PolarHBondContact O-N 3.47Å; A228-F231 PolarHBondContact O-N 3.4Å; A228-F231 VanDerWaalsContact O-N 3.14Å; A228-F232 HydrophobicContact CB-CD2 4.49Å; A228-F232 HydrophobicContact CB-CE2 3.93Å; A228-F232 HydrophobicContact CB-CZ 4.49Å; A228-F232 WeakPolarHBondContact O-CD2 3.36Å; A228-F232 WeakPolarHBondContact O-CG 3.35Å; A228-F232 PolarHBondContact O-N 2.98Å
229	V	98.1	Very high	96.5	Very high	22 Å²	22	51.1 Å²	51.1	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-37.2	177.6	170.6	0	0	0	0	111.7	I225 K227 F232 V233 K253	I225-V229 HydrophobicContact CG2-CG2 4.2Å; I225-V229 WeakPolarHBondContact O-CG2 3.46Å; I225-V229 PolarHBondContact O-N 3.02Å; K227-V229 PolarHBondContact O-N 3.48Å; V229-F232 PolarHBondContact O-N 3.13Å; V229-V233 HydrophobicContact CG1-CG2 4.25Å; V229-V233 WeakPolarHBondContact O-CB 3.26Å; V229-V233 VanDerWaalsContact O-CG2 3.27Å; V229-V233 WeakPolarHBondContact O-CG2 3.31Å; V229-V233 PolarHBondContact O-N 3.46Å; V229-K253 VanDerWaalsContact CG1-CE 3.46Å; V229-K253 HydrophobicContact CG1-CG 4.28Å; V229-K253 HydrophobicContact CG2-CG 4.07Å
230	Q	98	Very high	96.5	Very high	131 Å²	131	54.3 Å²	54.3	61%	0.612	27%	0.27	S	S	*	.	H	α-helix	trans	-59.9	-46.9	175.1	-68.2	171.6	5.4	0	0	111.6	D226 K227 A228 V233 Q234	D226-Q230 WeakPolarHBondContact O-CG 3.4Å; D226-Q230 PolarHBondContact O-N 3.43Å; K227-Q230 WeakPolarHBondContact O-CB 3.3Å; K227-Q230 PolarHBondContact O-N 2.86Å; A228-Q230 VanDerWaalsContact C-N 3.28Å; A228-Q230 PolarHBondContact O-N 3.47Å; Q230-V233 PolarHBondContact O-N 3.33Å; Q230-Q234 WeakPolarHBondContact O-CB 3.25Å; Q230-Q234 PolarHBondContact O-N 3.24Å
231	F	98.3	Very high	96.5	Very high	37 Å²	37	59.9 Å²	59.9	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-40.6	177.3	-79.4	-71.4	0	0	0	112.7	L212 R215 L219 K227 A228 V233 Q234 A235	L212-F231 HydrophobicContact CD2-CD1 3.97Å; L212-F231 HydrophobicContact CD2-CE1 4.32Å; R215-F231 HydrophobicContact CB-CD1 4.12Å; R215-F231 HydrophobicContact CB-CE1 4.35Å; R215-F231 HydrophobicContact CB-CG 4.23Å; L219-F231 HydrophobicContact CD1-CD2 3.47Å; L219-F231 VanDerWaalsContact CD1-CD2 3.47Å; L219-F231 HydrophobicContact CD1-CE2 3.51Å; K227-F231 WeakPolarHBondContact O-CD2 3.27Å; K227-F231 PolarHBondContact O-N 3.39Å; A228-F231 PolarHBondContact O-N 3.4Å; A228-F231 VanDerWaalsContact O-N 3.14Å; F231-V233 PolarHBondContact O-N 2.9Å; F231-Q234 WeakPolarHBondContact O-CB 3.5Å; F231-Q234 PolarHBondContact O-N 2.78Å; F231-A235 WeakPolarHBondContact O-CB 3.3Å; F231-A235 PolarHBondContact O-N 2.6Å
232	F	98.5	Very high	96.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-40	175.7	-59.9	-44.2	0	0	0	112.4	Y213 G216 A228 V229 Q234 A235 L236 A248 C249 S252	Y213-F232 AromaticContact CD2-CD1 3.89Å; Y213-F232 HydrophobicContact CD2-CD1 3.89Å; Y213-F232 AromaticContact CD2-CE1 3.72Å; Y213-F232 HydrophobicContact CD2-CE1 3.72Å; Y213-F232 HydrophobicContact CE2-CE1 4.04Å; Y213-F232 WeakPolarHBondContact O-CE1 3.24Å; G216-F232 VanDerWaalsContact C-CE1 3.42Å; G216-F232 WeakPolarHBondContact O-CZ 3.29Å; A228-F232 HydrophobicContact CB-CD2 4.49Å; A228-F232 HydrophobicContact CB-CE2 3.93Å; A228-F232 HydrophobicContact CB-CZ 4.49Å; A228-F232 WeakPolarHBondContact O-CD2 3.36Å; A228-F232 WeakPolarHBondContact O-CG 3.35Å; A228-F232 PolarHBondContact O-N 2.98Å; V229-F232 PolarHBondContact O-N 3.13Å; F232-Q234 VanDerWaalsContact C-N 3.32Å; F232-A235 PolarHBondContact O-N 3.2Å; F232-L236 WeakPolarHBondContact O-CB 3.26Å; F232-L236 VanDerWaalsContact O-CG 3.27Å; F232-L236 WeakPolarHBondContact O-CG 3.47Å; F232-L236 PolarHBondContact O-N 3.22Å; F232-A248 HydrophobicContact CD1-CB 4.14Å; F232-A248 HydrophobicContact CD2-CB 4.22Å; F232-A248 HydrophobicContact CE1-CB 3.77Å; F232-A248 HydrophobicContact CE2-CB 3.88Å; F232-A248 HydrophobicContact CG-CB 4.36Å; F232-A248 HydrophobicContact CZ-CB 3.63Å; F232-C249 HydrophobicContact CB-CB 3.77Å; F232-C249 HydrophobicContact CD2-CB 4.4Å; F232-C249 HydrophobicContact CG-CB 4.41Å; F232-S252 WeakPolarHBondContact CE2-OG 3.39Å
233	V	98.3	Very high	96.8	Very high	43 Å²	43	61.7 Å²	61.7	26%	0.261	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-39.6	173.9	169.5	0	0	0	0	110.7	V229 Q230 F231 L236 R237	V229-V233 HydrophobicContact CG1-CG2 4.25Å; V229-V233 WeakPolarHBondContact O-CB 3.26Å; V229-V233 VanDerWaalsContact O-CG2 3.27Å; V229-V233 WeakPolarHBondContact O-CG2 3.31Å; V229-V233 PolarHBondContact O-N 3.46Å; Q230-V233 PolarHBondContact O-N 3.33Å; F231-V233 PolarHBondContact O-N 2.9Å; V233-L236 PolarHBondContact O-N 3.21Å; V233-R237 WeakPolarHBondContact O-CG 3.48Å; V233-R237 PolarHBondContact O-N 2.9Å
234	Q	98	Very high	97.1	Very high	76 Å²	76	64 Å²	64	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-44.7	175.2	-166.5	-176.2	-9.8	0	0	111.4	L212 Q230 F231 F232 L236 R237 M238	L212-Q234 HydrophobicContact CD1-CB 4.3Å; L212-Q234 HydrophobicContact CD1-CG 3.8Å; L212-Q234 HydrophobicContact CD2-CG 4.41Å; Q230-Q234 WeakPolarHBondContact O-CB 3.25Å; Q230-Q234 PolarHBondContact O-N 3.24Å; F231-Q234 WeakPolarHBondContact O-CB 3.5Å; F231-Q234 PolarHBondContact O-N 2.78Å; F232-Q234 VanDerWaalsContact C-N 3.32Å; Q234-L236 VanDerWaalsContact C-N 3.31Å; Q234-L236 PolarHBondContact O-N 3.22Å; Q234-R237 WeakPolarHBondContact O-CB 3.38Å; Q234-R237 PolarHBondContact O-N 3.14Å; Q234-R237 VanDerWaalsContact O-N 3.1Å; Q234-M238 WeakPolarHBondContact O-CG 3.19Å; Q234-M238 PolarHBondContact O-N 2.58Å; Q234-M238 VanDerWaalsContact O-N 3.16Å
235	A	98.3	Very high	97.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-45.1	174	0	0	0	0	0	111.3	A209 L212 F231 F232 R237 M238 A239 A245	A209-A235 WeakPolarHBondContact O-CB 3.4Å; L212-A235 HydrophobicContact CB-CB 3.89Å; F231-A235 WeakPolarHBondContact O-CB 3.3Å; F231-A235 PolarHBondContact O-N 2.6Å; F232-A235 PolarHBondContact O-N 3.2Å; A235-R237 VanDerWaalsContact C-N 3.29Å; A235-R237 PolarHBondContact O-N 3.25Å; A235-M238 PolarHBondContact O-N 2.87Å; A235-M238 VanDerWaalsContact O-N 3.11Å; A235-A239 PolarHBondContact O-N 3.34Å; A235-A245 HydrophobicContact CB-CB 4.05Å
236	L	98.3	Very high	97.5	Very high	36 Å²	36	66.6 Å²	66.6	19%	0.188	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-22.5	177.5	-69.5	167.7	0	0	0	114.1	F232 V233 Q234 A239 P240 H242 A245 R246 C249	F232-L236 WeakPolarHBondContact O-CB 3.26Å; F232-L236 VanDerWaalsContact O-CG 3.27Å; F232-L236 WeakPolarHBondContact O-CG 3.47Å; F232-L236 PolarHBondContact O-N 3.22Å; V233-L236 PolarHBondContact O-N 3.21Å; Q234-L236 VanDerWaalsContact C-N 3.31Å; Q234-L236 PolarHBondContact O-N 3.22Å; L236-A239 WeakPolarHBondContact CA-O 3.45Å; L236-A239 CarbonylContact O-C 3.48Å; L236-P240 VanDerWaalsContact O-CA 3.23Å; L236-P240 WeakPolarHBondContact O-CA 3.48Å; L236-H242 HydrophobicContact CD2-CB 4.38Å; L236-A245 HydrophobicContact CD2-CB 4.1Å; L236-A245 HydrophobicContact CG-CB 4.08Å; L236-R246 HydrophobicContact CD2-CB 3.97Å; L236-C249 HydrophobicContact CD1-CB 4.24Å
237	R	98.1	Very high	97.6	Very high	183 Å²	183	66.9 Å²	66.9	69%	0.691	32%	0.324	S	S	*	.	H	α-helix	trans	-72.7	-35.9	170.1	-72.6	174.2	-172.8	179	1.7	111.4	V233 Q234 A235	V233-R237 WeakPolarHBondContact O-CG 3.48Å; V233-R237 PolarHBondContact O-N 2.9Å; Q234-R237 WeakPolarHBondContact O-CB 3.38Å; Q234-R237 PolarHBondContact O-N 3.14Å; Q234-R237 VanDerWaalsContact O-N 3.1Å; A235-R237 VanDerWaalsContact C-N 3.29Å; A235-R237 PolarHBondContact O-N 3.25Å
238	M	97.6	Very high	97.7	Very high	86 Å²	86	61.3 Å²	61.3	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-77.9	-38.3	178.2	-57.3	-60.1	90.9	0	0	111.5	T207 A209 L212 Q234 A235	T207-M238 HydrophobicContact CG2-SD 3.82Å; T207-M238 WeakPolarHBondContact O-CB 3.39Å; T207-M238 WeakPolarHBondContact O-CG 3.49Å; A209-M238 HydrophobicContact CB-CB 4.06Å; L212-M238 HydrophobicContact CD1-CG 3.96Å; Q234-M238 WeakPolarHBondContact O-CG 3.19Å; Q234-M238 PolarHBondContact O-N 2.58Å; Q234-M238 VanDerWaalsContact O-N 3.16Å; A235-M238 PolarHBondContact O-N 2.87Å; A235-M238 VanDerWaalsContact O-N 3.11Å
239	A	97.4	Very high	97.7	Very high	21 Å²	21	61.7 Å²	61.7	17%	0.174	30%	0.304	C	S	.	.			trans	-138	92.4	177.6	0	0	0	0	0	110.7	A209 A235 L236 D241 H242	A209-A239 HydrophobicContact CB-CB 3.6Å; A235-A239 PolarHBondContact O-N 3.34Å; L236-A239 WeakPolarHBondContact CA-O 3.45Å; L236-A239 CarbonylContact O-C 3.48Å; A239-D241 PolarHBondContact O-N 3.33Å; A239-H242 HydrophobicContact CB-CB 3.99Å; A239-H242 WeakPolarHBondContact O-CB 3.37Å; A239-H242 PolarHBondContact O-N 3.39Å
240	P	97	Very high	97.6	Very high	95 Å²	95	69.5 Å²	69.5	62%	0.617	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.7	-178.7	-25.4	35.3	0	0	0	114.7	L236 H242 R246	L236-P240 VanDerWaalsContact O-CA 3.23Å; L236-P240 WeakPolarHBondContact O-CA 3.48Å; P240-H242 VanDerWaalsContact C-N 3.32Å; P240-R246 PolarHBondContact O-NH2 3.17Å
241	D	96.2	Very high	97.5	Very high	122 Å²	122	65 Å²	65	65%	0.652	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.6	177	62	-19.9	0	0	0	113.6	A239 D243 R246	A239-D241 PolarHBondContact O-N 3.33Å; D241-D243 PolarHBondContact O-N 2.85Å; D241-R246 VanDerWaalsContact CA-NH2 3.35Å
242	H	97.8	Very high	97.4	Very high	19 Å²	19	63.2 Å²	63.2	9%	0.088	30%	0.304	C	S	.	.			trans	-67.5	94	179.6	-169.5	-14.5	0	0	0	112.4	D210 Y213 L236 A239 P240 K244 A245 R246	D210-H242 IonicContact OD1-CE1 3.95Å; D210-H242 IonicContact OD1-NE2 2.66Å; D210-H242 PolarHBondContact OD1-NE2 3.32Å; Y213-H242 WeakPolarHBondContact CB-NE2 3.48Å; Y213-H242 AromaticContact CG-NE2 3.86Å; L236-H242 HydrophobicContact CD2-CB 4.38Å; A239-H242 HydrophobicContact CB-CB 3.99Å; A239-H242 WeakPolarHBondContact O-CB 3.37Å; A239-H242 PolarHBondContact O-N 3.39Å; P240-H242 VanDerWaalsContact C-N 3.32Å; H242-K244 PolarHBondContact O-N 3.46Å; H242-A245 HydrophobicContact CB-CB 4.14Å; H242-A245 PolarHBondContact ND1-N 2.59Å; H242-A245 PolarHBondContact O-N 3.11Å; H242-R246 PolarHBondContact O-N 3.48Å
243	D	97.1	Very high	97.3	Very high	106 Å²	106	68.5 Å²	68.5	57%	0.567	33%	0.327	S	S	*	.	H	α-helix	trans	-62.3	-43.2	-172.3	-70	-38.4	0	0	0	113.6	D241 A245 R246 L247	D241-D243 PolarHBondContact O-N 2.85Å; D243-A245 PolarHBondContact O-N 3.31Å; D243-R246 WeakPolarHBondContact O-CB 3.32Å; D243-R246 PolarHBondContact O-N 3.49Å; D243-R246 IonicContact OD1-CZ 3.63Å; D243-R246 IonicContact OD1-NH1 2.68Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-R246 IonicContact OD1-NH2 2.81Å; D243-L247 PolarHBondContact O-N 3.29Å
244	K	96.7	Very high	97.3	Very high	85 Å²	85	68.2 Å²	68.2	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-45.4	178.3	-57.6	-175	177.1	-171.8	0	111.9	E183 Y213 H242 R246 L247 A248	E183-K244 WeakPolarHBondContact OE1-CD 3.48Å; E183-K244 IonicContact OE1-NZ 2.74Å; E183-K244 PolarHBondContact OE1-NZ 3.02Å; E183-K244 IonicContact OE2-NZ 3.45Å; E183-K244 PolarHBondContact OE2-NZ 3.32Å; Y213-K244 HydrophobicContact CD2-CB 4.39Å; Y213-K244 HydrophobicContact CE1-CB 4.02Å; Y213-K244 HydrophobicContact CE1-CD 4.01Å; Y213-K244 HydrophobicContact CE2-CB 3.82Å; H242-K244 PolarHBondContact O-N 3.46Å; K244-R246 VanDerWaalsContact C-N 3.34Å; K244-R246 PolarHBondContact O-N 2.96Å; K244-L247 PolarHBondContact O-N 3.05Å; K244-A248 VanDerWaalsContact O-CB 3.32Å; K244-A248 WeakPolarHBondContact O-CB 2.98Å; K244-A248 PolarHBondContact O-N 3.41Å
245	A	97.8	Very high	97.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-37.6	176.6	0	0	0	0	0	112	Y213 A235 L236 H242 D243 C249	Y213-A245 HydrophobicContact CD2-CB 3.97Å; A235-A245 HydrophobicContact CB-CB 4.05Å; L236-A245 HydrophobicContact CD2-CB 4.1Å; L236-A245 HydrophobicContact CG-CB 4.08Å; H242-A245 HydrophobicContact CB-CB 4.14Å; H242-A245 PolarHBondContact ND1-N 2.59Å; H242-A245 PolarHBondContact O-N 3.11Å; D243-A245 PolarHBondContact O-N 3.31Å; A245-C249 WeakPolarHBondContact O-CB 3.42Å; A245-C249 PolarHBondContact O-N 3.25Å
246	R	98.1	Very high	97	Very high	114 Å²	114	67.1 Å²	67.1	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-49.1	176	-165	-173.3	-57.7	129.4	10.2	111.4	L236 P240 D241 H242 D243 K244 C249 R250	L236-R246 HydrophobicContact CD2-CB 3.97Å; P240-R246 PolarHBondContact O-NH2 3.17Å; D241-R246 VanDerWaalsContact CA-NH2 3.35Å; H242-R246 PolarHBondContact O-N 3.48Å; D243-R246 WeakPolarHBondContact O-CB 3.32Å; D243-R246 PolarHBondContact O-N 3.49Å; D243-R246 IonicContact OD1-CZ 3.63Å; D243-R246 IonicContact OD1-NH1 2.68Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-R246 IonicContact OD1-NH2 2.81Å; K244-R246 VanDerWaalsContact C-N 3.34Å; K244-R246 PolarHBondContact O-N 2.96Å; R246-C249 PolarHBondContact O-N 2.82Å; R246-R250 WeakPolarHBondContact O-CB 3.45Å; R246-R250 PolarHBondContact O-N 2.85Å
247	L	96.8	Very high	97	Very high	101 Å²	101	67.1 Å²	67.1	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-48	178.6	-179.4	60.4	0	0	0	111.4	D243 K244 C249 R250 N251	D243-L247 PolarHBondContact O-N 3.29Å; K244-L247 PolarHBondContact O-N 3.05Å; L247-C249 PolarHBondContact O-N 3.16Å; L247-R250 PolarHBondContact O-N 3.32Å; L247-N251 WeakPolarHBondContact O-CB 3.37Å; L247-N251 PolarHBondContact O-N 2.93Å
248	A	96.9	Very high	96.9	Very high	10 Å²	10	61 Å²	61	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-44.5	178.3	0	0	0	0	0	111.8	Y213 F232 K244 R250 N251 S252	Y213-A248 HydrophobicContact CE2-CB 3.88Å; F232-A248 HydrophobicContact CD1-CB 4.14Å; F232-A248 HydrophobicContact CD2-CB 4.22Å; F232-A248 HydrophobicContact CE1-CB 3.77Å; F232-A248 HydrophobicContact CE2-CB 3.88Å; F232-A248 HydrophobicContact CG-CB 4.36Å; F232-A248 HydrophobicContact CZ-CB 3.63Å; K244-A248 VanDerWaalsContact O-CB 3.32Å; K244-A248 WeakPolarHBondContact O-CB 2.98Å; K244-A248 PolarHBondContact O-N 3.41Å; A248-R250 PolarHBondContact O-N 3.32Å; A248-N251 PolarHBondContact O-N 3.42Å; A248-S252 VanDerWaalsContact O-CB 3.28Å; A248-S252 WeakPolarHBondContact O-CB 3.47Å; A248-S252 PolarHBondContact O-N 3.43Å; A248-S252 PolarHBondContact O-OG 2.96Å
249	C	97.6	Very high	96.9	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.054	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-45.5	176.1	-171.9	0	0	0	0	112.3	F232 L236 A245 R246 L247 K253	F232-C249 HydrophobicContact CB-CB 3.77Å; F232-C249 HydrophobicContact CD2-CB 4.4Å; F232-C249 HydrophobicContact CG-CB 4.41Å; L236-C249 HydrophobicContact CD1-CB 4.24Å; A245-C249 WeakPolarHBondContact O-CB 3.42Å; A245-C249 PolarHBondContact O-N 3.25Å; R246-C249 PolarHBondContact O-N 2.82Å; L247-C249 PolarHBondContact O-N 3.16Å; C249-K253 WeakPolarHBondContact O-CG 3.37Å; C249-K253 PolarHBondContact O-N 3.38Å; C249-K253 VanDerWaalsContact O-N 3.11Å
250	R	97.1	Very high	96.9	Very high	187 Å²	187	62.4 Å²	62.4	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-60.3	-50.7	176.7	178.8	-177	173.4	-179.2	-2	111	R246 L247 A248 K253 A254	R246-R250 WeakPolarHBondContact O-CB 3.45Å; R246-R250 PolarHBondContact O-N 2.85Å; L247-R250 PolarHBondContact O-N 3.32Å; A248-R250 PolarHBondContact O-N 3.32Å; R250-K253 PolarHBondContact O-N 2.87Å; R250-A254 WeakPolarHBondContact O-CB 3.39Å; R250-A254 PolarHBondContact O-N 2.92Å
251	N	96.1	Very high	97	Very high	36 Å²	36	62.1 Å²	62.1	19%	0.193	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-43.2	-177.6	-71.4	0.8	0	0	0	111.4	L247 A248 K253 A254 L255 I284	L247-N251 WeakPolarHBondContact O-CB 3.37Å; L247-N251 PolarHBondContact O-N 2.93Å; A248-N251 PolarHBondContact O-N 3.42Å; N251-K253 PolarHBondContact O-N 3.48Å; N251-A254 PolarHBondContact O-N 3.42Å; N251-L255 WeakPolarHBondContact O-CB 3.39Å; N251-L255 PolarHBondContact O-N 2.89Å; N251-I284 HydrophobicContact CB-CG2 3.98Å
252	S	96.4	Very high	97	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.3	-47.6	175.1	-69.7	0	0	0	0	112.6	Y220 I225 F232 A248 K256	Y220-S252 WeakPolarHBondContact CD2-OG 3.33Å; Y220-S252 VanDerWaalsContact CE2-OG 3.29Å; Y220-S252 WeakPolarHBondContact CE2-OG 3.49Å; I225-S252 WeakPolarHBondContact CG2-O 3.47Å; F232-S252 WeakPolarHBondContact CE2-OG 3.39Å; A248-S252 VanDerWaalsContact O-CB 3.28Å; A248-S252 WeakPolarHBondContact O-CB 3.47Å; A248-S252 PolarHBondContact O-N 3.43Å; A248-S252 PolarHBondContact O-OG 2.96Å; S252-K256 WeakPolarHBondContact O-CB 3.37Å; S252-K256 PolarHBondContact O-N 3.48Å; S252-K256 VanDerWaalsContact O-N 3.09Å
253	K	96.5	Very high	97	Very high	111 Å²	111	57.9 Å²	57.9	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-45.4	178.6	-71.9	176.1	-179.6	177.4	0	111.9	V229 C249 R250 N251 K256 A257	V229-K253 VanDerWaalsContact CG1-CE 3.46Å; V229-K253 HydrophobicContact CG1-CG 4.28Å; V229-K253 HydrophobicContact CG2-CG 4.07Å; C249-K253 WeakPolarHBondContact O-CG 3.37Å; C249-K253 PolarHBondContact O-N 3.38Å; C249-K253 VanDerWaalsContact O-N 3.11Å; R250-K253 PolarHBondContact O-N 2.87Å; N251-K253 PolarHBondContact O-N 3.48Å; K253-K256 PolarHBondContact O-N 3.23Å; K253-A257 WeakPolarHBondContact O-CB 3.42Å; K253-A257 PolarHBondContact O-N 3.07Å
254	A	97.1	Very high	97.1	Very high	37 Å²	37	58.9 Å²	58.9	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-43.8	179.8	0	0	0	0	0	111.8	R250 N251 K256 A257 K258 I284	R250-A254 WeakPolarHBondContact O-CB 3.39Å; R250-A254 PolarHBondContact O-N 2.92Å; N251-A254 PolarHBondContact O-N 3.42Å; A254-K256 PolarHBondContact O-N 3.49Å; A254-A257 PolarHBondContact O-N 3.07Å; A254-K258 WeakPolarHBondContact O-CB 3.4Å; A254-K258 PolarHBondContact O-N 2.71Å; A254-I284 HydrophobicContact CB-CD1 3.89Å; A254-I284 HydrophobicContact CB-CG2 4.26Å
255	L	95.8	Very high	97.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-43.2	178.5	-171.8	65.2	0	0	0	111.3	Y220 N251 K259 A281 I284 T291 L295	Y220-L255 HydrophobicContact CE2-CD2 4.09Å; N251-L255 WeakPolarHBondContact O-CB 3.39Å; N251-L255 PolarHBondContact O-N 2.89Å; L255-K259 VanDerWaalsContact O-CB 3.26Å; L255-K259 WeakPolarHBondContact O-CB 3.49Å; L255-K259 PolarHBondContact O-N 3.48Å; L255-A281 HydrophobicContact CD1-CB 4.3Å; L255-A281 WeakPolarHBondContact CD1-O 3.27Å; L255-I284 HydrophobicContact CB-CD1 4.47Å; L255-I284 HydrophobicContact CB-CG2 4.13Å; L255-I284 HydrophobicContact CD1-CB 4.25Å; L255-I284 HydrophobicContact CD1-CD1 4.49Å; L255-T291 HydrophobicContact CD1-CG2 4.42Å; L255-T291 HydrophobicContact CD2-CG2 3.7Å; L255-T291 HydrophobicContact CG-CG2 4.05Å; L255-L295 HydrophobicContact CD1-CD1 3.83Å
256	K	95.4	Very high	97.2	Very high	52 Å²	52	58.2 Å²	58.2	23%	0.226	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-51	174.4	-179.3	173.5	173.4	171.9	0	111.4	I225 D226 S252 K253 A254 K258 K259 E260	I225-K256 HydrophobicContact CD1-CB 4.36Å; I225-K256 HydrophobicContact CG2-CB 4.12Å; I225-K256 HydrophobicContact CG2-CD 4.36Å; D226-K256 IonicContact OD1-NZ 3.98Å; D226-K256 PolarHBondContact OD1-NZ 3.09Å; D226-K256 IonicContact OD2-NZ 3.5Å; D226-K256 PolarHBondContact OD2-NZ 2.91Å; S252-K256 WeakPolarHBondContact O-CB 3.37Å; S252-K256 PolarHBondContact O-N 3.48Å; S252-K256 VanDerWaalsContact O-N 3.09Å; K253-K256 PolarHBondContact O-N 3.23Å; A254-K256 PolarHBondContact O-N 3.49Å; K256-K258 PolarHBondContact O-N 3.31Å; K256-K259 PolarHBondContact O-N 3.19Å; K256-E260 WeakPolarHBondContact CE-OE1 3.39Å; K256-E260 IonicContact NZ-OE1 3.65Å; K256-E260 WeakPolarHBondContact O-CG 3.45Å; K256-E260 PolarHBondContact O-N 3.39Å
257	A	97.1	Very high	97.2	Very high	37 Å²	37	61.3 Å²	61.3	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-50.6	-179	0	0	0	0	0	111.8	K253 A254 K259 E260 E261	K253-A257 WeakPolarHBondContact O-CB 3.42Å; K253-A257 PolarHBondContact O-N 3.07Å; A254-A257 PolarHBondContact O-N 3.07Å; A257-K259 VanDerWaalsContact C-N 3.34Å; A257-K259 PolarHBondContact O-N 3.24Å; A257-E260 PolarHBondContact O-N 3.44Å; A257-E260 VanDerWaalsContact O-N 3.09Å; A257-E261 WeakPolarHBondContact O-CG 3.31Å; A257-E261 PolarHBondContact O-N 3.25Å
258	K	97.5	Very high	97.3	Very high	55 Å²	55	61.8 Å²	61.8	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-38.6	179.6	-73.8	-72.5	173.2	-177.1	0	113.1	A254 K256 E260 E261 G262 L277 E280 A281 I284	A254-K258 WeakPolarHBondContact O-CB 3.4Å; A254-K258 PolarHBondContact O-N 2.71Å; K256-K258 PolarHBondContact O-N 3.31Å; K258-E260 VanDerWaalsContact C-N 3.34Å; K258-E260 PolarHBondContact O-N 3.4Å; K258-E261 IonicContact NZ-OE2 2.7Å; K258-E261 PolarHBondContact NZ-OE2 2.83Å; K258-G262 PolarHBondContact O-N 2.92Å; K258-L277 HydrophobicContact CD-CD2 3.89Å; K258-E280 HydrophobicContact CD-CB 4.45Å; K258-E280 WeakPolarHBondContact CE-OE2 3.47Å; K258-E280 IonicContact NZ-OE2 3.93Å; K258-E280 PolarHBondContact NZ-OE2 3.06Å; K258-A281 HydrophobicContact CB-CB 3.84Å; K258-I284 HydrophobicContact CB-CD1 4.22Å; K258-I284 HydrophobicContact CG-CD1 3.92Å
259	K	96.6	Very high	97.3	Very high	35 Å²	35	63 Å²	63	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-43.7	172.9	-176.6	174.2	71	-179	0	111.3	D223 L255 K256 A257 N263 L295	D223-K259 IonicContact OD1-NZ 3.46Å; D223-K259 PolarHBondContact OD1-NZ 3.06Å; L255-K259 VanDerWaalsContact O-CB 3.26Å; L255-K259 WeakPolarHBondContact O-CB 3.49Å; L255-K259 PolarHBondContact O-N 3.48Å; K256-K259 PolarHBondContact O-N 3.19Å; A257-K259 VanDerWaalsContact C-N 3.34Å; A257-K259 PolarHBondContact O-N 3.24Å; K259-N263 WeakPolarHBondContact O-CB 3.37Å; K259-N263 PolarHBondContact O-N 3.11Å; K259-N263 PolarHBondContact O-ND2 2.89Å; K259-N263 VanDerWaalsContact O-ND2 3.15Å; K259-L295 HydrophobicContact CB-CD2 4.12Å; K259-L295 HydrophobicContact CD-CD2 4.35Å; K259-L295 HydrophobicContact CG-CD2 4Å
260	E	97.1	Very high	97.3	Very high	100 Å²	100	66.7 Å²	66.7	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-70.2	-41.6	179.7	-73.1	174.6	172.6	0	0	112.8	K256 A257 K258 N263 K264	K256-E260 WeakPolarHBondContact CE-OE1 3.39Å; K256-E260 IonicContact NZ-OE1 3.65Å; K256-E260 WeakPolarHBondContact O-CG 3.45Å; K256-E260 PolarHBondContact O-N 3.39Å; A257-E260 PolarHBondContact O-N 3.44Å; A257-E260 VanDerWaalsContact O-N 3.09Å; K258-E260 VanDerWaalsContact C-N 3.34Å; K258-E260 PolarHBondContact O-N 3.4Å; E260-N263 PolarHBondContact O-N 3.4Å; E260-K264 WeakPolarHBondContact O-CB 3.45Å; E260-K264 PolarHBondContact O-N 3.4Å
261	E	98.3	Very high	97.3	Very high	89 Å²	89	60.3 Å²	60.3	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-58.6	-48.2	172.5	-72.1	168.8	-165.3	0	0	110.9	A257 K258 N263 K264 A265 L277	A257-E261 WeakPolarHBondContact O-CG 3.31Å; A257-E261 PolarHBondContact O-N 3.25Å; K258-E261 IonicContact NZ-OE2 2.7Å; K258-E261 PolarHBondContact NZ-OE2 2.83Å; E261-N263 PolarHBondContact O-N 2.92Å; E261-K264 WeakPolarHBondContact O-CB 3.49Å; E261-K264 PolarHBondContact O-N 3.09Å; E261-A265 PolarHBondContact O-N 3.37Å; E261-L277 HydrophobicContact CB-CD1 3.99Å; E261-L277 HydrophobicContact CB-CD2 4.11Å; E261-L277 WeakPolarHBondContact OE2-CD2 3.32Å
262	G	98.2	Very high	97.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-41.3	176.5	0	0	0	0	0	112.6	K258 K264 A265 F266 Y278	K258-G262 PolarHBondContact O-N 2.92Å; G262-K264 VanDerWaalsContact C-N 3.31Å; G262-K264 PolarHBondContact O-N 3.46Å; G262-A265 PolarHBondContact O-N 3.11Å; G262-F266 WeakPolarHBondContact O-CB 3.44Å; G262-F266 PolarHBondContact O-N 3.34Å; G262-Y278 VanDerWaalsContact C-OH 3.26Å; G262-Y278 PolarHBondContact O-OH 2.83Å
263	N	97.8	Very high	97.5	Very high	52 Å²	52	66 Å²	66	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-38.5	174.9	-73.7	-29.5	0	0	0	111.9	K259 E260 E261 K267 Y278 N298	K259-N263 WeakPolarHBondContact O-CB 3.37Å; K259-N263 PolarHBondContact O-N 3.11Å; K259-N263 PolarHBondContact O-ND2 2.89Å; K259-N263 VanDerWaalsContact O-ND2 3.15Å; E260-N263 PolarHBondContact O-N 3.4Å; E261-N263 PolarHBondContact O-N 2.92Å; N263-K267 WeakPolarHBondContact O-CG 3.22Å; N263-K267 PolarHBondContact O-N 3.29Å; N263-Y278 VanDerWaalsContact CA-OH 3.28Å; N263-Y278 WeakPolarHBondContact CA-OH 3.3Å; N263-Y278 PolarHBondContact N-OH 3.2Å; N263-Y278 PolarHBondContact OD1-OH 2.99Å; N263-N298 PolarHBondContact OD1-ND2 3.23Å
264	K	98.4	Very high	97.6	Very high	128 Å²	128	60.7 Å²	60.7	56%	0.557	31%	0.311	S	S	*	.	H	α-helix	trans	-67.1	-50.2	177	-179.2	-177.7	169.8	-174.6	0	110.8	E260 E261 G262 F266 K267 E268	E260-K264 WeakPolarHBondContact O-CB 3.45Å; E260-K264 PolarHBondContact O-N 3.4Å; E261-K264 WeakPolarHBondContact O-CB 3.49Å; E261-K264 PolarHBondContact O-N 3.09Å; G262-K264 VanDerWaalsContact C-N 3.31Å; G262-K264 PolarHBondContact O-N 3.46Å; K264-F266 VanDerWaalsContact C-N 3.26Å; K264-F266 PolarHBondContact O-N 3.09Å; K264-K267 WeakPolarHBondContact O-CB 3.5Å; K264-K267 PolarHBondContact O-N 2.9Å; K264-E268 WeakPolarHBondContact CE-OE1 3.47Å; K264-E268 IonicContact NZ-OE1 2.69Å; K264-E268 WeakPolarHBondContact O-CG 3.46Å; K264-E268 PolarHBondContact O-N 3.11Å
265	A	98.4	Very high	97.6	Very high	9 Å²	9	60.8 Å²	60.8	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-40.7	177.1	0	0	0	0	0	111.9	E261 G262 K267 E268 G269 N270 A273 A274 L277	E261-A265 PolarHBondContact O-N 3.37Å; G262-A265 PolarHBondContact O-N 3.11Å; A265-K267 PolarHBondContact O-N 3.38Å; A265-E268 PolarHBondContact O-N 2.83Å; A265-G269 PolarHBondContact O-N 3.24Å; A265-N270 HydrophobicContact CB-CB 4.41Å; A265-N270 PolarHBondContact O-N 3.06Å; A265-A273 HydrophobicContact CB-CB 4.37Å; A265-A274 HydrophobicContact CB-CB 3.91Å; A265-L277 HydrophobicContact CB-CD1 4.1Å
266	F	98.1	Very high	97.7	Very high	62 Å²	62	65 Å²	65	27%	0.272	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-43.4	174.7	178.6	-98.5	0	0	0	112.7	G262 K264 E268 G269 F271 A274 T301 V302 K305	G262-F266 WeakPolarHBondContact O-CB 3.44Å; G262-F266 PolarHBondContact O-N 3.34Å; K264-F266 VanDerWaalsContact C-N 3.26Å; K264-F266 PolarHBondContact O-N 3.09Å; F266-E268 VanDerWaalsContact C-N 3.29Å; F266-E268 PolarHBondContact O-N 2.97Å; F266-G269 PolarHBondContact O-N 3.48Å; F266-F271 AromaticContact CD2-CD1 3.84Å; F266-F271 HydrophobicContact CD2-CD1 3.84Å; F266-F271 AromaticContact CD2-CE1 3.8Å; F266-F271 HydrophobicContact CD2-CE1 3.8Å; F266-F271 HydrophobicContact CE2-CD1 4.12Å; F266-F271 AromaticContact CE2-CE1 3.81Å; F266-F271 HydrophobicContact CE2-CE1 3.81Å; F266-A274 HydrophobicContact CB-CB 4.1Å; F266-T301 HydrophobicContact CE2-CG2 4.01Å; F266-T301 HydrophobicContact CZ-CG2 3.85Å; F266-V302 HydrophobicContact CD2-CG2 3.75Å; F266-V302 HydrophobicContact CE2-CG2 4.32Å; F266-K305 HydrophobicContact CE2-CG 4.2Å
267	K	97.9	Very high	97.9	Very high	178 Å²	178	64 Å²	64	77%	0.774	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-32.2	177.8	-73	173.6	-178.2	-179.1	0	112.6	N263 K264 A265 G269	N263-K267 WeakPolarHBondContact O-CG 3.22Å; N263-K267 PolarHBondContact O-N 3.29Å; K264-K267 WeakPolarHBondContact O-CB 3.5Å; K264-K267 PolarHBondContact O-N 2.9Å; A265-K267 PolarHBondContact O-N 3.38Å; K267-G269 PolarHBondContact O-N 3.49Å
268	E	97.9	Very high	97.9	Very high	112 Å²	112	62.3 Å²	62.3	52%	0.523	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.4	176.5	-68.8	171.5	175.1	0	0	112.9	K264 A265 F266 N270	K264-E268 WeakPolarHBondContact CE-OE1 3.47Å; K264-E268 IonicContact NZ-OE1 2.69Å; K264-E268 WeakPolarHBondContact O-CG 3.46Å; K264-E268 PolarHBondContact O-N 3.11Å; A265-E268 PolarHBondContact O-N 2.83Å; F266-E268 VanDerWaalsContact C-N 3.29Å; F266-E268 PolarHBondContact O-N 2.97Å; E268-N270 VanDerWaalsContact C-N 3.28Å
269	G	97.3	Very high	98	Very high	34 Å²	34	61 Å²	61	35%	0.351	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	4.1	-177.7	0	0	0	0	0	114.3	A265 F266 K267 F271	A265-G269 PolarHBondContact O-N 3.24Å; F266-G269 PolarHBondContact O-N 3.48Å; K267-G269 PolarHBondContact O-N 3.49Å; G269-F271 VanDerWaalsContact C-N 3.25Å; G269-F271 WeakPolarHBondContact O-CD2 3.27Å; G269-F271 PolarHBondContact O-N 3.29Å
270	N	97.8	Very high	98	Very high	87 Å²	87	63.5 Å²	63.5	47%	0.465	32%	0.318	S	S	.	.			trans	-80.2	73.2	175.9	-67.1	-33.7	0	0	0	109.8	A265 E268 A273 A274	A265-N270 HydrophobicContact CB-CB 4.41Å; A265-N270 PolarHBondContact O-N 3.06Å; E268-N270 VanDerWaalsContact C-N 3.28Å; N270-A273 HydrophobicContact CB-CB 4.26Å; N270-A273 PolarHBondContact O-N 3Å; N270-A274 PolarHBondContact O-N 3.28Å
271	F	98	Very high	98.1	Very high	52 Å²	52	58.8 Å²	58.8	23%	0.228	30%	0.296	C	S	.	.	H	α-helix	trans	-67.7	-41.2	-170.4	-62.9	-51.7	0	0	0	113.3	F266 G269 A273 A274 Y275 V302 K305 L306	F266-F271 AromaticContact CD2-CD1 3.84Å; F266-F271 HydrophobicContact CD2-CD1 3.84Å; F266-F271 AromaticContact CD2-CE1 3.8Å; F266-F271 HydrophobicContact CD2-CE1 3.8Å; F266-F271 HydrophobicContact CE2-CD1 4.12Å; F266-F271 AromaticContact CE2-CE1 3.81Å; F266-F271 HydrophobicContact CE2-CE1 3.81Å; G269-F271 VanDerWaalsContact C-N 3.25Å; G269-F271 WeakPolarHBondContact O-CD2 3.27Å; G269-F271 PolarHBondContact O-N 3.29Å; F271-A273 PolarHBondContact O-N 3.24Å; F271-A274 PolarHBondContact O-N 3.2Å; F271-Y275 PolarHBondContact O-N 3.22Å; F271-V302 HydrophobicContact CB-CG1 3.97Å; F271-V302 WeakPolarHBondContact O-CG1 3.4Å; F271-K305 HydrophobicContact CD1-CB 4.03Å; F271-K305 HydrophobicContact CD1-CG 4.36Å; F271-K305 HydrophobicContact CD2-CB 4.1Å; F271-K305 HydrophobicContact CE1-CB 4.04Å; F271-K305 HydrophobicContact CE1-CG 3.97Å; F271-K305 HydrophobicContact CE2-CB 4.09Å; F271-K305 HydrophobicContact CG-CB 4.08Å; F271-K305 HydrophobicContact CZ-CB 4.07Å; F271-K305 HydrophobicContact CZ-CD 4.4Å; F271-K305 HydrophobicContact CZ-CG 4.1Å; F271-L306 HydrophobicContact CB-CD1 4.32Å; F271-L306 HydrophobicContact CB-CD2 3.46Å; F271-L306 VanDerWaalsContact CB-CD2 3.46Å; F271-L306 HydrophobicContact CB-CG 3.84Å; F271-L306 HydrophobicContact CD2-CD2 4.42Å; F271-L306 HydrophobicContact CG-CD2 4.35Å
272	E	97.6	Very high	98	Very high	112 Å²	112	55.4 Å²	55.4	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-50.7	175.2	-77.6	71.1	-165.6	0	0	111.3	A274 Y275 D276 L306	E272-A274 VanDerWaalsContact C-N 3.31Å; E272-A274 PolarHBondContact O-N 2.9Å; E272-Y275 WeakPolarHBondContact O-CB 3.25Å; E272-Y275 PolarHBondContact O-N 2.84Å; E272-Y275 VanDerWaalsContact O-N 3.09Å; E272-D276 PolarHBondContact O-N 2.69Å; E272-L306 WeakPolarHBondContact OE1-CD2 3.26Å
273	A	98.1	Very high	98	Very high	44 Å²	44	60.3 Å²	60.3	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-40.3	177.6	0	0	0	0	0	112	A265 N270 F271 Y275 D276 L277	A265-A273 HydrophobicContact CB-CB 4.37Å; N270-A273 HydrophobicContact CB-CB 4.26Å; N270-A273 PolarHBondContact O-N 3Å; F271-A273 PolarHBondContact O-N 3.24Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 2.7Å; A273-D276 PolarHBondContact O-N 3.25Å; A273-L277 WeakPolarHBondContact O-CB 3.26Å; A273-L277 WeakPolarHBondContact O-CD1 3.47Å; A273-L277 WeakPolarHBondContact O-CG 3.36Å; A273-L277 PolarHBondContact O-N 2.84Å
274	A	98.6	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-40.4	175.4	0	0	0	0	0	112	A265 F266 N270 F271 E272 L277 Y278 V302	A265-A274 HydrophobicContact CB-CB 3.91Å; F266-A274 HydrophobicContact CB-CB 4.1Å; N270-A274 PolarHBondContact O-N 3.28Å; F271-A274 PolarHBondContact O-N 3.2Å; E272-A274 VanDerWaalsContact C-N 3.31Å; E272-A274 PolarHBondContact O-N 2.9Å; A274-L277 PolarHBondContact O-N 3.1Å; A274-Y278 HydrophobicContact CB-CE2 4.28Å; A274-Y278 WeakPolarHBondContact O-CD2 3.47Å; A274-Y278 PolarHBondContact O-N 2.98Å; A274-V302 HydrophobicContact CB-CG1 4.36Å; A274-V302 HydrophobicContact CB-CG2 3.92Å
275	Y	98.2	Very high	97.7	Very high	38 Å²	38	54 Å²	54	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-45.8	177.8	-170.4	-85.2	0	0	0	111.5	F271 E272 A273 Y278 S279 R299 V302	F271-Y275 PolarHBondContact O-N 3.22Å; E272-Y275 WeakPolarHBondContact O-CB 3.25Å; E272-Y275 PolarHBondContact O-N 2.84Å; E272-Y275 VanDerWaalsContact O-N 3.09Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 2.7Å; Y275-Y278 PolarHBondContact O-N 3.4Å; Y275-S279 WeakPolarHBondContact O-CB 3.4Å; Y275-S279 PolarHBondContact O-N 3.34Å; Y275-S279 PolarHBondContact O-OG 3.25Å; Y275-R299 HydrophobicContact CD2-CG 3.49Å; Y275-R299 VanDerWaalsContact CD2-CG 3.49Å; Y275-R299 HydrophobicContact CE2-CG 3.43Å; Y275-R299 VanDerWaalsContact CE2-CG 3.43Å; Y275-R299 HydrophobicContact CG-CG 4.08Å; Y275-V302 HydrophobicContact CD2-CG1 4.3Å
276	D	98	Very high	97.4	Very high	90 Å²	90	57.7 Å²	57.7	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-44.4	179.7	-66.4	-21.2	0	0	0	111.1	E272 A273 Y278 S279 E280	E272-D276 PolarHBondContact O-N 2.69Å; A273-D276 PolarHBondContact O-N 3.25Å; D276-Y278 PolarHBondContact O-N 3.4Å; D276-S279 CarbonylContact O-C 3.48Å; D276-S279 WeakPolarHBondContact O-CA 3.4Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.96Å; D276-E280 WeakPolarHBondContact O-CG 3.26Å; D276-E280 PolarHBondContact O-N 3Å
277	L	98.6	Very high	97	Very high	29 Å²	29	57.8 Å²	57.8	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-41	177.5	-72.9	165	0	0	0	112.8	K258 E261 A265 A273 A274 S279 A281	K258-L277 HydrophobicContact CD-CD2 3.89Å; E261-L277 HydrophobicContact CB-CD1 3.99Å; E261-L277 HydrophobicContact CB-CD2 4.11Å; E261-L277 WeakPolarHBondContact OE2-CD2 3.32Å; A265-L277 HydrophobicContact CB-CD1 4.1Å; A273-L277 WeakPolarHBondContact O-CB 3.26Å; A273-L277 WeakPolarHBondContact O-CD1 3.47Å; A273-L277 WeakPolarHBondContact O-CG 3.36Å; A273-L277 PolarHBondContact O-N 2.84Å; A274-L277 PolarHBondContact O-N 3.1Å; L277-S279 VanDerWaalsContact C-N 3.34Å; L277-A281 WeakPolarHBondContact O-CB 3.27Å; L277-A281 PolarHBondContact O-N 2.94Å
278	Y	98.5	Very high	96.7	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-34.1	173.2	-65.6	-47	0	0	0	112.5	G262 N263 A274 Y275 D276 A281 L282 L295 N298 R299 V302	G262-Y278 VanDerWaalsContact C-OH 3.26Å; G262-Y278 PolarHBondContact O-OH 2.83Å; N263-Y278 VanDerWaalsContact CA-OH 3.28Å; N263-Y278 WeakPolarHBondContact CA-OH 3.3Å; N263-Y278 PolarHBondContact N-OH 3.2Å; N263-Y278 PolarHBondContact OD1-OH 2.99Å; A274-Y278 HydrophobicContact CB-CE2 4.28Å; A274-Y278 WeakPolarHBondContact O-CD2 3.47Å; A274-Y278 PolarHBondContact O-N 2.98Å; Y275-Y278 PolarHBondContact O-N 3.4Å; D276-Y278 PolarHBondContact O-N 3.4Å; Y278-A281 PolarHBondContact O-N 3.2Å; Y278-L282 WeakPolarHBondContact O-CG 3.44Å; Y278-L282 PolarHBondContact O-N 3.46Å; Y278-L282 VanDerWaalsContact O-N 3.12Å; Y278-L295 HydrophobicContact CD1-CD2 3.78Å; Y278-L295 HydrophobicContact CE1-CD2 4.4Å; Y278-N298 HydrophobicContact CD1-CB 4.32Å; Y278-N298 HydrophobicContact CD2-CB 4.18Å; Y278-N298 HydrophobicContact CE1-CB 3.95Å; Y278-N298 HydrophobicContact CE2-CB 3.82Å; Y278-N298 HydrophobicContact CG-CB 4.43Å; Y278-R299 HydrophobicContact CD2-CB 4.29Å; Y278-R299 HydrophobicContact CG-CB 4.48Å; Y278-V302 HydrophobicContact CD2-CG2 3.98Å; Y278-V302 HydrophobicContact CE2-CG2 3.65Å
279	S	97.9	Very high	96.5	Very high	28 Å²	28	48.2 Å²	48.2	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-43.7	175.6	-60.2	0	0	0	0	111.6	Y275 D276 L277 L282 R299	Y275-S279 WeakPolarHBondContact O-CB 3.4Å; Y275-S279 PolarHBondContact O-N 3.34Å; Y275-S279 PolarHBondContact O-OG 3.25Å; D276-S279 CarbonylContact O-C 3.48Å; D276-S279 WeakPolarHBondContact O-CA 3.4Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.96Å; L277-S279 VanDerWaalsContact C-N 3.34Å; S279-L282 PolarHBondContact O-N 3.12Å; S279-R299 WeakPolarHBondContact OG-CD 3.07Å; S279-R299 PolarHBondContact OG-NH1 3.32Å
280	E	98.1	Very high	96.3	Very high	87 Å²	87	50.2 Å²	50.2	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-44.4	172	-71.4	177.1	-164.8	0	0	111.4	K258 D276 L282 T283	K258-E280 HydrophobicContact CD-CB 4.45Å; K258-E280 WeakPolarHBondContact CE-OE2 3.47Å; K258-E280 IonicContact NZ-OE2 3.93Å; K258-E280 PolarHBondContact NZ-OE2 3.06Å; D276-E280 WeakPolarHBondContact O-CG 3.26Å; D276-E280 PolarHBondContact O-N 3Å; E280-L282 VanDerWaalsContact C-N 3.26Å; E280-L282 PolarHBondContact O-N 2.68Å; E280-T283 WeakPolarHBondContact O-CB 3.5Å; E280-T283 PolarHBondContact O-N 3.27Å; E280-T283 PolarHBondContact O-OG1 3.33Å
281	A	97.8	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-40.2	178.8	0	0	0	0	0	112.4	L255 K258 L277 Y278 T283 I284 L295	L255-A281 HydrophobicContact CD1-CB 4.3Å; L255-A281 WeakPolarHBondContact CD1-O 3.27Å; K258-A281 HydrophobicContact CB-CB 3.84Å; L277-A281 WeakPolarHBondContact O-CB 3.27Å; L277-A281 PolarHBondContact O-N 2.94Å; Y278-A281 PolarHBondContact O-N 3.2Å; A281-T283 PolarHBondContact O-N 2.94Å; A281-I284 PolarHBondContact O-N 2.98Å; A281-L295 HydrophobicContact CB-CD1 3.72Å; A281-L295 HydrophobicContact CB-CD2 3.88Å; A281-L295 HydrophobicContact CB-CG 4.45Å
282	L	97.6	Very high	96	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-20.2	177.7	-73	164.4	0	0	0	113.6	Y278 S279 E280 N292 L295 F296	Y278-L282 WeakPolarHBondContact O-CG 3.44Å; Y278-L282 PolarHBondContact O-N 3.46Å; Y278-L282 VanDerWaalsContact O-N 3.12Å; S279-L282 PolarHBondContact O-N 3.12Å; E280-L282 VanDerWaalsContact C-N 3.26Å; E280-L282 PolarHBondContact O-N 2.68Å; L282-N292 HydrophobicContact CD2-CB 3.87Å; L282-L295 HydrophobicContact CD2-CB 3.72Å; L282-L295 HydrophobicContact CD2-CD1 4.17Å; L282-L295 HydrophobicContact CG-CB 4.03Å; L282-L295 HydrophobicContact CG-CD1 4.35Å; L282-F296 HydrophobicContact CD1-CD1 3.69Å; L282-F296 HydrophobicContact CD1-CE1 3.5Å; L282-F296 VanDerWaalsContact CD1-CE1 3.5Å; L282-F296 HydrophobicContact CD1-CG 4.29Å; L282-F296 HydrophobicContact CD1-CZ 3.94Å; L282-F296 HydrophobicContact CD2-CD1 4.31Å; L282-F296 HydrophobicContact CD2-CD2 3.84Å; L282-F296 HydrophobicContact CD2-CE1 4.16Å; L282-F296 HydrophobicContact CD2-CE2 3.66Å; L282-F296 HydrophobicContact CD2-CG 4.15Å; L282-F296 HydrophobicContact CD2-CZ 3.82Å; L282-F296 HydrophobicContact CG-CE1 4.45Å; L282-F296 HydrophobicContact CG-CZ 4.45Å
283	T	96.9	Very high	96	Very high	104 Å²	104	38.4 Å²	38.4	64%	0.638	21%	0.212	S	C	*	.	H	α-helix	trans	-85.4	-18	178.1	71	0	0	0	0	113.7	E280 A281	E280-T283 WeakPolarHBondContact O-CB 3.5Å; E280-T283 PolarHBondContact O-N 3.27Å; E280-T283 PolarHBondContact O-OG1 3.33Å; A281-T283 PolarHBondContact O-N 2.94Å
284	I	96.3	Very high	95.9	Very high	36 Å²	36	39.6 Å²	39.6	19%	0.185	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-44.3	-174.7	-65.4	172.9	0	0	0	111.2	N251 A254 L255 K258 A281	N251-I284 HydrophobicContact CB-CG2 3.98Å; A254-I284 HydrophobicContact CB-CD1 3.89Å; A254-I284 HydrophobicContact CB-CG2 4.26Å; L255-I284 HydrophobicContact CB-CD1 4.47Å; L255-I284 HydrophobicContact CB-CG2 4.13Å; L255-I284 HydrophobicContact CD1-CB 4.25Å; L255-I284 HydrophobicContact CD1-CD1 4.49Å; K258-I284 HydrophobicContact CB-CD1 4.22Å; K258-I284 HydrophobicContact CG-CD1 3.92Å; A281-I284 PolarHBondContact O-N 2.98Å
285	D	94.6	Very high	95.9	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	21%	0.208	C	C	.	.			trans	-146.8	90.3	174.4	-176.7	3.9	0	0	0	110.5	Y220 N287 N288 N292	Y220-D285 WeakPolarHBondContact CE1-OD2 3.4Å; Y220-D285 VanDerWaalsContact OH-CB 3.26Å; Y220-D285 WeakPolarHBondContact OH-CB 3.45Å; Y220-D285 PolarHBondContact OH-OD2 3.28Å; D285-N287 PolarHBondContact O-N 3.06Å; D285-N287 WeakPolarHBondContact OD1-CB 3.43Å; D285-N287 PolarHBondContact OD1-N 2.86Å; D285-N288 HydrophobicContact CB-CB 4.34Å; D285-N288 PolarHBondContact O-N 3.18Å; D285-N292 PolarHBondContact O-ND2 3.34Å
286	P	92.6	Very high	95.9	Very high	86 Å²	86	39.2 Å²	39.2	56%	0.558	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.8	178.5	-25.4	35.8	0	0	0	113.9	N292	P286-N292 VanDerWaalsContact C-ND2 3.28Å; P286-N292 WeakPolarHBondContact CA-ND2 3.34Å; P286-N292 PolarHBondContact O-ND2 3.32Å; P286-N292 VanDerWaalsContact O-ND2 3.12Å
287	N	88.2	Confident	95.9	Very high	63 Å²	63	35.1 Å²	35.1	34%	0.337	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.5	-175.6	-57.2	-52.5	0	0	0	113.6	R155 D285 I289	R155-N287 PolarHBondContact NH1-ND2 3.26Å; R155-N287 PolarHBondContact NH1-OD1 2.98Å; R155-N287 PolarHBondContact NH2-ND2 3.45Å; R155-N287 PolarHBondContact NH2-OD1 3.34Å; D285-N287 PolarHBondContact O-N 3.06Å; D285-N287 WeakPolarHBondContact OD1-CB 3.43Å; D285-N287 PolarHBondContact OD1-N 2.86Å; N287-I289 VanDerWaalsContact C-N 3.33Å; N287-I289 PolarHBondContact O-N 3.2Å
288	N	93.1	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.			trans	-76.5	85.5	178.3	-166	-43.1	0	0	0	110.8	Y220 Y221 D285 K290 T291 N292	Y220-N288 WeakPolarHBondContact CE1-ND2 3.45Å; Y220-N288 WeakPolarHBondContact CE2-ND2 3.5Å; Y220-N288 PolarHBondContact O-ND2 2.98Å; Y220-N288 PolarHBondContact OH-ND2 3.1Å; Y221-N288 HydrophobicContact CD1-CB 4.25Å; Y221-N288 HydrophobicContact CE1-CB 4.18Å; D285-N288 HydrophobicContact CB-CB 4.34Å; D285-N288 PolarHBondContact O-N 3.18Å; N288-K290 PolarHBondContact O-N 2.89Å; N288-T291 VanDerWaalsContact CG-OG1 3.27Å; N288-T291 PolarHBondContact ND2-OG1 3.33Å; N288-T291 PolarHBondContact O-N 3.42Å; N288-T291 WeakPolarHBondContact OD1-CB 3.4Å; N288-T291 PolarHBondContact OD1-N 3.46Å; N288-T291 PolarHBondContact OD1-OG1 2.85Å; N288-N292 WeakPolarHBondContact O-CB 3.38Å; N288-N292 PolarHBondContact O-N 3.48Å; N288-N292 PolarHBondContact O-ND2 3.01Å
289	I	92.8	Very high	95.9	Very high	89 Å²	89	36.9 Å²	36.9	46%	0.456	19%	0.194	S	C	.	.	H	α-helix	trans	-52.7	-55.2	-174.3	-60.5	177.6	0	0	0	111.8	N287 T291 N292 A293 L322	N287-I289 VanDerWaalsContact C-N 3.33Å; N287-I289 PolarHBondContact O-N 3.2Å; I289-T291 PolarHBondContact O-N 3.17Å; I289-N292 PolarHBondContact O-N 3.31Å; I289-A293 WeakPolarHBondContact O-CB 3.47Å; I289-A293 PolarHBondContact O-N 2.72Å; I289-L322 HydrophobicContact CG2-CB 3.97Å; I289-L322 HydrophobicContact CG2-CD2 4.38Å; I289-L322 WeakPolarHBondContact CG2-O 3.32Å
290	K	92.3	Very high	95.9	Very high	76 Å²	76	35.6 Å²	35.6	33%	0.33	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-42.2	-175	-69.1	-166.6	-176.9	175.2	0	112.5	Y221 N288 K294	Y221-K290 WeakPolarHBondContact O-CD 3.34Å; N288-K290 PolarHBondContact O-N 2.89Å; K290-K294 PolarHBondContact O-N 3.04Å
291	T	94.2	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.2	-39.9	-179.5	-52.1	0	0	0	0	111.1	D223 L255 N288 I289 A293 K294 L295	D223-T291 PolarHBondContact OD1-OG1 2.99Å; L255-T291 HydrophobicContact CD1-CG2 4.42Å; L255-T291 HydrophobicContact CD2-CG2 3.7Å; L255-T291 HydrophobicContact CG-CG2 4.05Å; N288-T291 VanDerWaalsContact CG-OG1 3.27Å; N288-T291 PolarHBondContact ND2-OG1 3.33Å; N288-T291 PolarHBondContact O-N 3.42Å; N288-T291 WeakPolarHBondContact OD1-CB 3.4Å; N288-T291 PolarHBondContact OD1-N 3.46Å; N288-T291 PolarHBondContact OD1-OG1 2.85Å; I289-T291 PolarHBondContact O-N 3.17Å; T291-A293 PolarHBondContact O-N 3.49Å; T291-K294 WeakPolarHBondContact O-CB 3.46Å; T291-K294 PolarHBondContact O-N 3.03Å; T291-L295 HydrophobicContact CG2-CD1 4.13Å; T291-L295 HydrophobicContact CG2-CG 4.35Å; T291-L295 WeakPolarHBondContact O-CG 3.47Å; T291-L295 PolarHBondContact O-N 3.42Å
292	N	96.4	Very high	95.9	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-37.3	179.9	-68.4	-12.5	0	0	0	111.8	L282 D285 P286 N288 I289 K294 L295 F296 L322	L282-N292 HydrophobicContact CD2-CB 3.87Å; D285-N292 PolarHBondContact O-ND2 3.34Å; P286-N292 VanDerWaalsContact C-ND2 3.28Å; P286-N292 WeakPolarHBondContact CA-ND2 3.34Å; P286-N292 PolarHBondContact O-ND2 3.32Å; P286-N292 VanDerWaalsContact O-ND2 3.12Å; N288-N292 WeakPolarHBondContact O-CB 3.38Å; N288-N292 PolarHBondContact O-N 3.48Å; N288-N292 PolarHBondContact O-ND2 3.01Å; I289-N292 PolarHBondContact O-N 3.31Å; N292-K294 VanDerWaalsContact C-N 3.29Å; N292-K294 PolarHBondContact O-N 3.33Å; N292-L295 PolarHBondContact O-N 3.29Å; N292-F296 HydrophobicContact CB-CD2 4.48Å; N292-F296 HydrophobicContact CB-CE2 4.41Å; N292-F296 WeakPolarHBondContact O-CB 3.41Å; N292-F296 WeakPolarHBondContact O-CD2 3.31Å; N292-F296 PolarHBondContact O-N 2.78Å; N292-L322 HydrophobicContact CB-CD1 3.76Å
293	A	97.1	Very high	95.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.9	-43.4	171.7	0	0	0	0	0	112	I289 T291 C297 A319 L322 D323 Y326	I289-A293 WeakPolarHBondContact O-CB 3.47Å; I289-A293 PolarHBondContact O-N 2.72Å; T291-A293 PolarHBondContact O-N 3.49Å; A293-C297 WeakPolarHBondContact O-CB 3.43Å; A293-C297 PolarHBondContact O-N 3.41Å; A293-C297 VanDerWaalsContact O-N 3.1Å; A293-A319 HydrophobicContact CB-CB 4.49Å; A293-A319 WeakPolarHBondContact O-CB 3.37Å; A293-L322 HydrophobicContact CB-CB 4.13Å; A293-D323 HydrophobicContact CB-CB 3.8Å; A293-Y326 HydrophobicContact CB-CD1 4.23Å; A293-Y326 WeakPolarHBondContact O-CE1 3.19Å
294	K	96.5	Very high	95.9	Very high	68 Å²	68	28 Å²	28	30%	0.296	15%	0.146	S	C	.	.	H	α-helix	trans	-65.2	-44.5	175.3	-69.4	167.5	176.3	165.9	0	112.1	D223 K290 T291 N292 C297 N298 Y326	D223-K294 IonicContact OD2-NZ 2.66Å; D223-K294 PolarHBondContact OD2-NZ 3.46Å; K290-K294 PolarHBondContact O-N 3.04Å; T291-K294 WeakPolarHBondContact O-CB 3.46Å; T291-K294 PolarHBondContact O-N 3.03Å; N292-K294 VanDerWaalsContact C-N 3.29Å; N292-K294 PolarHBondContact O-N 3.33Å; K294-C297 PolarHBondContact O-N 2.99Å; K294-N298 WeakPolarHBondContact O-CB 3.48Å; K294-N298 PolarHBondContact O-N 3.02Å; K294-N298 PolarHBondContact O-OD1 3.39Å; K294-Y326 HydrophobicContact CG-CE1 4.33Å; K294-Y326 HydrophobicContact CG-CE2 4.18Å
295	L	97.8	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-45.3	179.1	-72.4	171.9	0	0	0	112.1	L255 K259 Y278 A281 L282 T291 N292 C297 N298 R299	L255-L295 HydrophobicContact CD1-CD1 3.83Å; K259-L295 HydrophobicContact CB-CD2 4.12Å; K259-L295 HydrophobicContact CD-CD2 4.35Å; K259-L295 HydrophobicContact CG-CD2 4Å; Y278-L295 HydrophobicContact CD1-CD2 3.78Å; Y278-L295 HydrophobicContact CE1-CD2 4.4Å; A281-L295 HydrophobicContact CB-CD1 3.72Å; A281-L295 HydrophobicContact CB-CD2 3.88Å; A281-L295 HydrophobicContact CB-CG 4.45Å; L282-L295 HydrophobicContact CD2-CB 3.72Å; L282-L295 HydrophobicContact CD2-CD1 4.17Å; L282-L295 HydrophobicContact CG-CB 4.03Å; L282-L295 HydrophobicContact CG-CD1 4.35Å; T291-L295 HydrophobicContact CG2-CD1 4.13Å; T291-L295 HydrophobicContact CG2-CG 4.35Å; T291-L295 WeakPolarHBondContact O-CG 3.47Å; T291-L295 PolarHBondContact O-N 3.42Å; N292-L295 PolarHBondContact O-N 3.29Å; L295-C297 VanDerWaalsContact C-N 3.35Å; L295-C297 PolarHBondContact O-N 3.43Å; L295-N298 PolarHBondContact O-N 3.06Å; L295-R299 WeakPolarHBondContact O-CB 3.05Å; L295-R299 PolarHBondContact O-N 2.92Å
296	F	98.6	Very high	96	Very high	30 Å²	30	33.4 Å²	33.4	13%	0.132	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-44.1	174.1	-80.5	-60	0	0	0	111.7	L282 N292 N298 R299 A300 D315 K318 A319 L322	L282-F296 HydrophobicContact CD1-CD1 3.69Å; L282-F296 HydrophobicContact CD1-CE1 3.5Å; L282-F296 VanDerWaalsContact CD1-CE1 3.5Å; L282-F296 HydrophobicContact CD1-CG 4.29Å; L282-F296 HydrophobicContact CD1-CZ 3.94Å; L282-F296 HydrophobicContact CD2-CD1 4.31Å; L282-F296 HydrophobicContact CD2-CD2 3.84Å; L282-F296 HydrophobicContact CD2-CE1 4.16Å; L282-F296 HydrophobicContact CD2-CE2 3.66Å; L282-F296 HydrophobicContact CD2-CG 4.15Å; L282-F296 HydrophobicContact CD2-CZ 3.82Å; L282-F296 HydrophobicContact CG-CE1 4.45Å; L282-F296 HydrophobicContact CG-CZ 4.45Å; N292-F296 HydrophobicContact CB-CD2 4.48Å; N292-F296 HydrophobicContact CB-CE2 4.41Å; N292-F296 WeakPolarHBondContact O-CB 3.41Å; N292-F296 WeakPolarHBondContact O-CD2 3.31Å; N292-F296 PolarHBondContact O-N 2.78Å; F296-N298 PolarHBondContact O-N 3.26Å; F296-R299 PolarHBondContact O-N 3.47Å; F296-A300 WeakPolarHBondContact O-CB 3.42Å; F296-A300 PolarHBondContact O-N 2.86Å; F296-D315 WeakPolarHBondContact CB-O 3.25Å; F296-D315 HydrophobicContact CD1-CB 4.36Å; F296-K318 HydrophobicContact CD1-CB 4.17Å; F296-K318 HydrophobicContact CD1-CD 4.24Å; F296-K318 HydrophobicContact CD2-CB 4.07Å; F296-K318 HydrophobicContact CE1-CB 4.21Å; F296-K318 HydrophobicContact CE1-CD 3.7Å; F296-K318 HydrophobicContact CE2-CB 4.13Å; F296-K318 HydrophobicContact CG-CB 4.11Å; F296-K318 HydrophobicContact CZ-CB 4.21Å; F296-K318 HydrophobicContact CZ-CD 3.99Å; F296-A319 HydrophobicContact CB-CB 3.84Å; F296-L322 HydrophobicContact CD2-CD1 3.79Å; F296-L322 HydrophobicContact CE2-CD1 3.74Å
297	C	98.3	Very high	96.2	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.027	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-35.3	176.9	-176.9	0	0	0	0	113.2	A293 K294 L295 T301 Y326 A329	A293-C297 WeakPolarHBondContact O-CB 3.43Å; A293-C297 PolarHBondContact O-N 3.41Å; A293-C297 VanDerWaalsContact O-N 3.1Å; K294-C297 PolarHBondContact O-N 2.99Å; L295-C297 VanDerWaalsContact C-N 3.35Å; L295-C297 PolarHBondContact O-N 3.43Å; C297-T301 PolarHBondContact O-N 3.37Å; C297-T301 PolarHBondContact O-OG1 3.3Å; C297-Y326 HydrophobicContact CB-CD1 4.33Å; C297-Y326 HydrophobicContact CB-CE1 3.41Å; C297-Y326 VanDerWaalsContact CB-CE1 3.41Å; C297-A329 HydrophobicContact CB-CB 4.46Å
298	N	98.2	Very high	96.6	Very high	41 Å²	41	38.9 Å²	38.9	22%	0.219	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-45.4	173.1	-77.5	6.5	0	0	0	110.6	N263 Y278 K294 L295 F296 A300 T301 V302	N263-N298 PolarHBondContact OD1-ND2 3.23Å; Y278-N298 HydrophobicContact CD1-CB 4.32Å; Y278-N298 HydrophobicContact CD2-CB 4.18Å; Y278-N298 HydrophobicContact CE1-CB 3.95Å; Y278-N298 HydrophobicContact CE2-CB 3.82Å; Y278-N298 HydrophobicContact CG-CB 4.43Å; K294-N298 WeakPolarHBondContact O-CB 3.48Å; K294-N298 PolarHBondContact O-N 3.02Å; K294-N298 PolarHBondContact O-OD1 3.39Å; L295-N298 PolarHBondContact O-N 3.06Å; F296-N298 PolarHBondContact O-N 3.26Å; N298-A300 VanDerWaalsContact C-N 3.35Å; N298-A300 PolarHBondContact O-N 3.36Å; N298-T301 WeakPolarHBondContact O-CB 3.3Å; N298-T301 PolarHBondContact O-N 3.22Å; N298-T301 VanDerWaalsContact O-N 3.14Å; N298-V302 WeakPolarHBondContact O-CG2 3.49Å; N298-V302 PolarHBondContact O-N 2.85Å
299	R	98.5	Very high	96.7	Very high	29 Å²	29	40.4 Å²	40.4	11%	0.109	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-38.4	176.5	-165.7	172.7	70.2	175.6	3	112.3	Y275 Y278 S279 L295 F296 T301 V302 G303 D315	Y275-R299 HydrophobicContact CD2-CG 3.49Å; Y275-R299 VanDerWaalsContact CD2-CG 3.49Å; Y275-R299 HydrophobicContact CE2-CG 3.43Å; Y275-R299 VanDerWaalsContact CE2-CG 3.43Å; Y275-R299 HydrophobicContact CG-CG 4.08Å; Y278-R299 HydrophobicContact CD2-CB 4.29Å; Y278-R299 HydrophobicContact CG-CB 4.48Å; S279-R299 WeakPolarHBondContact OG-CD 3.07Å; S279-R299 PolarHBondContact OG-NH1 3.32Å; L295-R299 WeakPolarHBondContact O-CB 3.05Å; L295-R299 PolarHBondContact O-N 2.92Å; F296-R299 PolarHBondContact O-N 3.47Å; R299-T301 VanDerWaalsContact C-N 3.34Å; R299-T301 PolarHBondContact O-N 2.95Å; R299-V302 WeakPolarHBondContact O-CB 3.49Å; R299-V302 PolarHBondContact O-N 3.5Å; R299-G303 PolarHBondContact O-N 2.7Å; R299-D315 WeakPolarHBondContact CG-OD2 3.43Å; R299-D315 IonicContact CZ-OD1 2.68Å; R299-D315 IonicContact CZ-OD2 3.42Å; R299-D315 IonicContact NE-OD1 3.84Å; R299-D315 IonicContact NE-OD2 2.71Å; R299-D315 PolarHBondContact NE-OD2 3.06Å; R299-D315 IonicContact NH2-OD1 3.52Å; R299-D315 PolarHBondContact NH2-OD1 2.82Å; R299-D315 IonicContact NH2-OD2 2.77Å; R299-D315 PolarHBondContact NH2-OD2 3.48Å
300	A	98.4	Very high	97	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-42.8	171.3	0	0	0	0	0	111.9	F296 N298 V302 G303 S304 A312 D315 C316	F296-A300 WeakPolarHBondContact O-CB 3.42Å; F296-A300 PolarHBondContact O-N 2.86Å; N298-A300 VanDerWaalsContact C-N 3.35Å; N298-A300 PolarHBondContact O-N 3.36Å; A300-V302 VanDerWaalsContact C-N 3.29Å; A300-V302 PolarHBondContact O-N 3.43Å; A300-G303 WeakPolarHBondContact O-CA 3.3Å; A300-G303 PolarHBondContact O-N 2.82Å; A300-G303 VanDerWaalsContact O-N 3.1Å; A300-S304 PolarHBondContact O-N 3.02Å; A300-S304 PolarHBondContact O-OG 3.18Å; A300-A312 HydrophobicContact CB-CB 4.14Å; A300-A312 WeakPolarHBondContact CB-O 3.45Å; A300-A312 WeakPolarHBondContact O-CB 3.49Å; A300-D315 HydrophobicContact CB-CB 3.81Å; A300-C316 WeakPolarHBondContact CB-SG 3.33Å
301	T	98.2	Very high	97.2	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-40.9	176.5	-58	0	0	0	0	111.4	F266 C297 N298 R299 K305 R332	F266-T301 HydrophobicContact CE2-CG2 4.01Å; F266-T301 HydrophobicContact CZ-CG2 3.85Å; C297-T301 PolarHBondContact O-N 3.37Å; C297-T301 PolarHBondContact O-OG1 3.3Å; N298-T301 WeakPolarHBondContact O-CB 3.3Å; N298-T301 PolarHBondContact O-N 3.22Å; N298-T301 VanDerWaalsContact O-N 3.14Å; R299-T301 VanDerWaalsContact C-N 3.34Å; R299-T301 PolarHBondContact O-N 2.95Å; T301-K305 WeakPolarHBondContact O-CG 3.25Å; T301-K305 PolarHBondContact O-N 2.97Å; T301-R332 PolarHBondContact OG1-NE 3.01Å; T301-R332 VanDerWaalsContact OG1-NE 3.14Å
302	V	98	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-46.4	172.2	179.5	0	0	0	0	110.8	F266 F271 A274 Y275 Y278 N298 R299 A300 S304 K305 L306	F266-V302 HydrophobicContact CD2-CG2 3.75Å; F266-V302 HydrophobicContact CE2-CG2 4.32Å; F271-V302 HydrophobicContact CB-CG1 3.97Å; F271-V302 WeakPolarHBondContact O-CG1 3.4Å; A274-V302 HydrophobicContact CB-CG1 4.36Å; A274-V302 HydrophobicContact CB-CG2 3.92Å; Y275-V302 HydrophobicContact CD2-CG1 4.3Å; Y278-V302 HydrophobicContact CD2-CG2 3.98Å; Y278-V302 HydrophobicContact CE2-CG2 3.65Å; N298-V302 WeakPolarHBondContact O-CG2 3.49Å; N298-V302 PolarHBondContact O-N 2.85Å; R299-V302 WeakPolarHBondContact O-CB 3.49Å; R299-V302 PolarHBondContact O-N 3.5Å; A300-V302 VanDerWaalsContact C-N 3.29Å; A300-V302 PolarHBondContact O-N 3.43Å; V302-S304 VanDerWaalsContact C-N 3.31Å; V302-S304 PolarHBondContact O-N 3.49Å; V302-K305 WeakPolarHBondContact O-CA 3.48Å; V302-K305 WeakPolarHBondContact O-CB 3.5Å; V302-K305 PolarHBondContact O-N 2.92Å; V302-L306 HydrophobicContact CG1-CD1 4.12Å; V302-L306 HydrophobicContact CG1-CG 4.42Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 3.19Å
303	G	97.5	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-54.9	-43.6	177.3	0	0	0	0	0	112.8	R299 A300 K305 L306 K307 K308	R299-G303 PolarHBondContact O-N 2.7Å; A300-G303 WeakPolarHBondContact O-CA 3.3Å; A300-G303 PolarHBondContact O-N 2.82Å; A300-G303 VanDerWaalsContact O-N 3.1Å; G303-K305 VanDerWaalsContact C-N 3.34Å; G303-K305 PolarHBondContact O-N 3.42Å; G303-L306 CarbonylContact O-C 3.59Å; G303-L306 PolarHBondContact O-N 3.23Å; G303-L306 VanDerWaalsContact O-N 3.13Å; G303-K307 PolarHBondContact O-N 3.14Å; G303-K307 VanDerWaalsContact O-N 3.16Å; G303-K308 PolarHBondContact O-N 3.18Å
304	S	96.6	Very high	97.6	Very high	32 Å²	32	48.3 Å²	48.3	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-39.9	174.1	-51.9	0	0	0	0	112.4	A300 V302 L306 K307 C336	A300-S304 PolarHBondContact O-N 3.02Å; A300-S304 PolarHBondContact O-OG 3.18Å; V302-S304 VanDerWaalsContact C-N 3.31Å; V302-S304 PolarHBondContact O-N 3.49Å; S304-L306 VanDerWaalsContact C-N 3.27Å; S304-L306 PolarHBondContact O-N 3.09Å; S304-K307 PolarHBondContact O-N 2.82Å; S304-K307 VanDerWaalsContact O-N 3.11Å; S304-C336 PolarHBondContact OG-SG 3.38Å
305	K	96.9	Very high	97.7	Very high	130 Å²	130	45.3 Å²	45.3	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-65.7	-31.4	175.3	-66.7	-63.4	-177.9	-176.5	0	112.6	F266 F271 T301 V302 G303 K307	F266-K305 HydrophobicContact CE2-CG 4.2Å; F271-K305 HydrophobicContact CD1-CB 4.03Å; F271-K305 HydrophobicContact CD1-CG 4.36Å; F271-K305 HydrophobicContact CD2-CB 4.1Å; F271-K305 HydrophobicContact CE1-CB 4.04Å; F271-K305 HydrophobicContact CE1-CG 3.97Å; F271-K305 HydrophobicContact CE2-CB 4.09Å; F271-K305 HydrophobicContact CG-CB 4.08Å; F271-K305 HydrophobicContact CZ-CB 4.07Å; F271-K305 HydrophobicContact CZ-CD 4.4Å; F271-K305 HydrophobicContact CZ-CG 4.1Å; T301-K305 WeakPolarHBondContact O-CG 3.25Å; T301-K305 PolarHBondContact O-N 2.97Å; V302-K305 WeakPolarHBondContact O-CA 3.48Å; V302-K305 WeakPolarHBondContact O-CB 3.5Å; V302-K305 PolarHBondContact O-N 2.92Å; G303-K305 VanDerWaalsContact C-N 3.34Å; G303-K305 PolarHBondContact O-N 3.42Å; K305-K307 VanDerWaalsContact C-N 3.26Å; K305-K307 PolarHBondContact O-N 3.47Å
306	L	96.6	Very high	97.7	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.157	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4	174.4	-64.7	-178.5	0	0	0	113.9	F271 E272 V302 G303 S304 K308	F271-L306 HydrophobicContact CB-CD1 4.32Å; F271-L306 HydrophobicContact CB-CD2 3.46Å; F271-L306 VanDerWaalsContact CB-CD2 3.46Å; F271-L306 HydrophobicContact CB-CG 3.84Å; F271-L306 HydrophobicContact CD2-CD2 4.42Å; F271-L306 HydrophobicContact CG-CD2 4.35Å; E272-L306 WeakPolarHBondContact OE1-CD2 3.26Å; V302-L306 HydrophobicContact CG1-CD1 4.12Å; V302-L306 HydrophobicContact CG1-CG 4.42Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 3.19Å; G303-L306 CarbonylContact O-C 3.59Å; G303-L306 PolarHBondContact O-N 3.23Å; G303-L306 VanDerWaalsContact O-N 3.13Å; S304-L306 VanDerWaalsContact C-N 3.27Å; S304-L306 PolarHBondContact O-N 3.09Å; L306-K308 HydrophobicContact CB-CD 4.25Å; L306-K308 HydrophobicContact CB-CG 4.06Å; L306-K308 PolarHBondContact O-N 3.08Å
307	K	95.7	Very high	97.7	Very high	181 Å²	181	46.5 Å²	46.5	79%	0.787	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	23	-173.4	-54.9	-176.4	176.9	-176.8	0	114.1	G303 S304 K305 L309	G303-K307 PolarHBondContact O-N 3.14Å; G303-K307 VanDerWaalsContact O-N 3.16Å; S304-K307 PolarHBondContact O-N 2.82Å; S304-K307 VanDerWaalsContact O-N 3.11Å; K305-K307 VanDerWaalsContact C-N 3.26Å; K305-K307 PolarHBondContact O-N 3.47Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 2.9Å
308	K	96.5	Very high	97.7	Very high	83 Å²	83	49.9 Å²	49.9	36%	0.361	24%	0.237	S	C	.	.			trans	-91.7	64.4	173.3	-59.2	-178.5	-174	175.2	0	109	G303 L306 E310 Q311 A312	G303-K308 PolarHBondContact O-N 3.18Å; L306-K308 HydrophobicContact CB-CD 4.25Å; L306-K308 HydrophobicContact CB-CG 4.06Å; L306-K308 PolarHBondContact O-N 3.08Å; K308-E310 PolarHBondContact O-N 3.33Å; K308-Q311 HydrophobicContact CB-CB 4.32Å; K308-Q311 PolarHBondContact O-N 2.86Å; K308-A312 PolarHBondContact O-N 3.42Å; K308-A312 VanDerWaalsContact O-N 3.08Å
309	L	96.8	Very high	97.7	Very high	32 Å²	32	48 Å²	48	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-39.6	-167.2	-63.5	176.1	0	0	0	112.6	K307 Q311 A312 I313 D339 T340	K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 2.9Å; L309-Q311 VanDerWaalsContact C-N 3.34Å; L309-Q311 PolarHBondContact O-N 3.2Å; L309-A312 WeakPolarHBondContact O-CB 3.36Å; L309-A312 PolarHBondContact O-N 3.29Å; L309-A312 VanDerWaalsContact O-N 3.17Å; L309-I313 WeakPolarHBondContact O-CG1 3.23Å; L309-I313 PolarHBondContact O-N 3.19Å; L309-D339 HydrophobicContact CD1-CB 3.79Å; L309-D339 HydrophobicContact CD2-CB 4.37Å; L309-T340 HydrophobicContact CB-CG2 3.61Å; L309-T340 HydrophobicContact CD1-CG2 3.73Å; L309-T340 HydrophobicContact CG-CG2 4.31Å
310	E	97.2	Very high	97.7	Very high	132 Å²	132	47.2 Å²	47.2	62%	0.617	22%	0.224	S	C	*	.	H	α-helix	trans	-63.8	-41.2	179.1	-64.7	72.8	-161.9	0	0	111.4	K308 A312 I313 E314	K308-E310 PolarHBondContact O-N 3.33Å; E310-A312 VanDerWaalsContact C-N 3.34Å; E310-I313 PolarHBondContact O-N 3.33Å; E310-E314 PolarHBondContact O-N 2.84Å
311	Q	97.1	Very high	97.7	Very high	84 Å²	84	55.8 Å²	55.8	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-37.6	175.7	-65.1	178.7	0.3	0	0	111.4	K308 L309 I313 E314 D315	K308-Q311 HydrophobicContact CB-CB 4.32Å; K308-Q311 PolarHBondContact O-N 2.86Å; L309-Q311 VanDerWaalsContact C-N 3.34Å; L309-Q311 PolarHBondContact O-N 3.2Å; Q311-I313 VanDerWaalsContact C-N 3.33Å; Q311-E314 PolarHBondContact O-N 3.22Å; Q311-D315 WeakPolarHBondContact O-CB 3.35Å; Q311-D315 PolarHBondContact O-N 3.44Å
312	A	98.3	Very high	97.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-38.3	174.9	0	0	0	0	0	112	A300 K308 L309 E310 D315 C316	A300-A312 HydrophobicContact CB-CB 4.14Å; A300-A312 WeakPolarHBondContact CB-O 3.45Å; A300-A312 WeakPolarHBondContact O-CB 3.49Å; K308-A312 PolarHBondContact O-N 3.42Å; K308-A312 VanDerWaalsContact O-N 3.08Å; L309-A312 WeakPolarHBondContact O-CB 3.36Å; L309-A312 PolarHBondContact O-N 3.29Å; L309-A312 VanDerWaalsContact O-N 3.17Å; E310-A312 VanDerWaalsContact C-N 3.34Å; A312-D315 PolarHBondContact O-N 2.9Å; A312-C316 PolarHBondContact O-N 3.16Å; A312-C316 PolarHBondContact O-SG 3.02Å
313	I	98.6	Very high	97.4	Very high	18 Å²	18	59.3 Å²	59.3	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-44.6	173.5	-69.6	163.6	0	0	0	110.8	L309 E310 Q311 C316 T317 R333 C336 Y337 T340	L309-I313 WeakPolarHBondContact O-CG1 3.23Å; L309-I313 PolarHBondContact O-N 3.19Å; E310-I313 PolarHBondContact O-N 3.33Å; Q311-I313 VanDerWaalsContact C-N 3.33Å; I313-C316 PolarHBondContact O-N 2.92Å; I313-T317 WeakPolarHBondContact O-CB 3.11Å; I313-T317 PolarHBondContact O-N 3.42Å; I313-T317 PolarHBondContact O-OG1 3.33Å; I313-R333 HydrophobicContact CB-CG 4.47Å; I313-R333 HydrophobicContact CG1-CG 4.44Å; I313-R333 HydrophobicContact CG2-CG 4.1Å; I313-C336 HydrophobicContact CD1-CB 4Å; I313-C336 HydrophobicContact CG1-CB 3.46Å; I313-C336 VanDerWaalsContact CG1-CB 3.46Å; I313-Y337 HydrophobicContact CD1-CD1 3.69Å; I313-Y337 HydrophobicContact CD1-CE1 3.83Å; I313-Y337 HydrophobicContact CG1-CD1 4.2Å; I313-Y337 HydrophobicContact CG1-CE1 4.14Å; I313-Y337 HydrophobicContact CG2-CD1 4.44Å; I313-Y337 HydrophobicContact CG2-CE1 3.57Å; I313-T340 HydrophobicContact CD1-CG2 4.28Å
314	E	98.4	Very high	97.3	Very high	102 Å²	102	66 Å²	66	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-45.7	177.6	-167.4	-170.5	161.2	0	0	111.4	E310 Q311 T317 K318	E310-E314 PolarHBondContact O-N 2.84Å; Q311-E314 PolarHBondContact O-N 3.22Å; E314-T317 WeakPolarHBondContact O-CB 3.29Å; E314-T317 PolarHBondContact O-N 3.03Å; E314-K318 WeakPolarHBondContact O-CG 3.4Å; E314-K318 PolarHBondContact O-N 3.44Å; E314-K318 WeakPolarHBondContact OE1-CE 3.44Å; E314-K318 IonicContact OE1-NZ 2.77Å; E314-K318 PolarHBondContact OE1-NZ 2.65Å
315	D	98.6	Very high	97.2	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-43.5	177.4	-84.1	-12.2	0	0	0	112.1	F296 R299 A300 Q311 A312 T317 K318 A319	F296-D315 WeakPolarHBondContact CB-O 3.25Å; F296-D315 HydrophobicContact CD1-CB 4.36Å; R299-D315 WeakPolarHBondContact CG-OD2 3.43Å; R299-D315 IonicContact CZ-OD1 2.68Å; R299-D315 IonicContact CZ-OD2 3.42Å; R299-D315 IonicContact NE-OD1 3.84Å; R299-D315 IonicContact NE-OD2 2.71Å; R299-D315 PolarHBondContact NE-OD2 3.06Å; R299-D315 IonicContact NH2-OD1 3.52Å; R299-D315 PolarHBondContact NH2-OD1 2.82Å; R299-D315 IonicContact NH2-OD2 2.77Å; R299-D315 PolarHBondContact NH2-OD2 3.48Å; A300-D315 HydrophobicContact CB-CB 3.81Å; Q311-D315 WeakPolarHBondContact O-CB 3.35Å; Q311-D315 PolarHBondContact O-N 3.44Å; A312-D315 PolarHBondContact O-N 2.9Å; D315-T317 VanDerWaalsContact C-N 3.27Å; D315-T317 PolarHBondContact O-N 3.3Å; D315-K318 PolarHBondContact O-N 2.89Å; D315-A319 PolarHBondContact O-N 3.34Å
316	C	98.8	Very high	97.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-36.9	174	-65.9	0	0	0	0	111.8	A300 A312 I313 A319 I320 R333	A300-C316 WeakPolarHBondContact CB-SG 3.33Å; A312-C316 PolarHBondContact O-N 3.16Å; A312-C316 PolarHBondContact O-SG 3.02Å; I313-C316 PolarHBondContact O-N 2.92Å; C316-A319 WeakPolarHBondContact O-CB 3.38Å; C316-A319 PolarHBondContact O-N 2.95Å; C316-I320 WeakPolarHBondContact O-CD1 3.48Å; C316-I320 VanDerWaalsContact O-CG1 3.27Å; C316-I320 WeakPolarHBondContact O-CG1 3.48Å; C316-I320 PolarHBondContact O-N 3.27Å; C316-R333 HydrophobicContact CB-CB 3.57Å; C316-R333 HydrophobicContact CB-CG 3.93Å
317	T	98.6	Very high	97.1	Very high	56 Å²	56	64.4 Å²	64.4	34%	0.344	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-40.8	176.2	-60.3	0	0	0	0	111.5	I313 E314 D315 I320 K321 R333	I313-T317 WeakPolarHBondContact O-CB 3.11Å; I313-T317 PolarHBondContact O-N 3.42Å; I313-T317 PolarHBondContact O-OG1 3.33Å; E314-T317 WeakPolarHBondContact O-CB 3.29Å; E314-T317 PolarHBondContact O-N 3.03Å; D315-T317 VanDerWaalsContact C-N 3.27Å; D315-T317 PolarHBondContact O-N 3.3Å; T317-I320 PolarHBondContact O-N 3.39Å; T317-K321 WeakPolarHBondContact O-CB 3.25Å; T317-K321 PolarHBondContact O-N 3.05Å; T317-R333 VanDerWaalsContact OG1-CD 3.27Å; T317-R333 WeakPolarHBondContact OG1-CD 3.4Å; T317-R333 PolarHBondContact OG1-NH1 3.22Å
318	K	98.3	Very high	97.1	Very high	75 Å²	75	62.3 Å²	62.3	33%	0.326	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-42.4	171.8	-71.6	171.7	-175.2	161.7	0	111.6	F296 E314 D315 K321 L322	F296-K318 HydrophobicContact CD1-CB 4.17Å; F296-K318 HydrophobicContact CD1-CD 4.24Å; F296-K318 HydrophobicContact CD2-CB 4.07Å; F296-K318 HydrophobicContact CE1-CB 4.21Å; F296-K318 HydrophobicContact CE1-CD 3.7Å; F296-K318 HydrophobicContact CE2-CB 4.13Å; F296-K318 HydrophobicContact CG-CB 4.11Å; F296-K318 HydrophobicContact CZ-CB 4.21Å; F296-K318 HydrophobicContact CZ-CD 3.99Å; E314-K318 WeakPolarHBondContact O-CG 3.4Å; E314-K318 PolarHBondContact O-N 3.44Å; E314-K318 WeakPolarHBondContact OE1-CE 3.44Å; E314-K318 IonicContact OE1-NZ 2.77Å; E314-K318 PolarHBondContact OE1-NZ 2.65Å; D315-K318 PolarHBondContact O-N 2.89Å; K318-K321 PolarHBondContact O-N 3.11Å; K318-L322 WeakPolarHBondContact O-CG 3.43Å; K318-L322 PolarHBondContact O-N 2.6Å; K318-L322 VanDerWaalsContact O-N 3.11Å
319	A	98.3	Very high	97.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-46.8	176.9	0	0	0	0	0	112.1	A293 F296 D315 C316 L322 D323 A329	A293-A319 HydrophobicContact CB-CB 4.49Å; A293-A319 WeakPolarHBondContact O-CB 3.37Å; F296-A319 HydrophobicContact CB-CB 3.84Å; D315-A319 PolarHBondContact O-N 3.34Å; C316-A319 WeakPolarHBondContact O-CB 3.38Å; C316-A319 PolarHBondContact O-N 2.95Å; A319-L322 PolarHBondContact O-N 3.07Å; A319-D323 PolarHBondContact O-N 3.29Å; A319-A329 HydrophobicContact CB-CB 3.8Å
320	I	98.2	Very high	97.3	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-40.1	178.3	-69.7	163.8	0	0	0	111.3	C316 T317 L322 D323 E324 A329 Y330 R333	C316-I320 WeakPolarHBondContact O-CD1 3.48Å; C316-I320 VanDerWaalsContact O-CG1 3.27Å; C316-I320 WeakPolarHBondContact O-CG1 3.48Å; C316-I320 PolarHBondContact O-N 3.27Å; T317-I320 PolarHBondContact O-N 3.39Å; I320-L322 PolarHBondContact O-N 3.02Å; I320-D323 CarbonylContact O-C 3.58Å; I320-D323 PolarHBondContact O-N 3.16Å; I320-E324 WeakPolarHBondContact O-CA 3.46Å; I320-E324 WeakPolarHBondContact O-CG 3.43Å; I320-E324 PolarHBondContact O-N 2.88Å; I320-E324 VanDerWaalsContact O-N 3.09Å; I320-A329 HydrophobicContact CD1-CB 4.3Å; I320-A329 HydrophobicContact CG1-CB 3.72Å; I320-Y330 HydrophobicContact CB-CE2 4.39Å; I320-Y330 HydrophobicContact CD1-CD1 3.73Å; I320-Y330 HydrophobicContact CD1-CD2 3.99Å; I320-Y330 HydrophobicContact CD1-CE1 3.85Å; I320-Y330 HydrophobicContact CD1-CE2 4.11Å; I320-Y330 HydrophobicContact CD1-CG 3.81Å; I320-Y330 HydrophobicContact CG1-CD1 4.45Å; I320-Y330 HydrophobicContact CG1-CD2 3.88Å; I320-Y330 HydrophobicContact CG1-CE1 4.33Å; I320-Y330 HydrophobicContact CG1-CE2 3.76Å; I320-Y330 HydrophobicContact CG1-CG 4.24Å; I320-Y330 HydrophobicContact CG2-CE1 4.02Å; I320-Y330 HydrophobicContact CG2-CE2 3.83Å; I320-Y330 VanDerWaalsContact CG2-CZ 3.42Å; I320-Y330 WeakPolarHBondContact CG2-OH 3.33Å; I320-R333 VanDerWaalsContact CD1-CZ 3.42Å
321	K	97.6	Very high	97.3	Very high	181 Å²	181	53.7 Å²	53.7	79%	0.787	26%	0.259	S	S	*	.	H	α-helix	trans	-62.8	-32	176.6	-175.8	177.4	178.7	-179.9	0	112.4	T317 K318	T317-K321 WeakPolarHBondContact O-CB 3.25Å; T317-K321 PolarHBondContact O-N 3.05Å; K318-K321 PolarHBondContact O-N 3.11Å
322	L	95.6	Very high	97.4	Very high	59 Å²	59	55.1 Å²	55.1	31%	0.309	26%	0.261	S	S	.	.	H	α-helix	trans	-77.9	-44.6	175.1	-71.9	173.8	0	0	0	111.6	I289 N292 A293 F296 K318 A319 I320	I289-L322 HydrophobicContact CG2-CB 3.97Å; I289-L322 HydrophobicContact CG2-CD2 4.38Å; I289-L322 WeakPolarHBondContact CG2-O 3.32Å; N292-L322 HydrophobicContact CB-CD1 3.76Å; A293-L322 HydrophobicContact CB-CB 4.13Å; F296-L322 HydrophobicContact CD2-CD1 3.79Å; F296-L322 HydrophobicContact CE2-CD1 3.74Å; K318-L322 WeakPolarHBondContact O-CG 3.43Å; K318-L322 PolarHBondContact O-N 2.6Å; K318-L322 VanDerWaalsContact O-N 3.11Å; A319-L322 PolarHBondContact O-N 3.07Å; I320-L322 PolarHBondContact O-N 3.02Å
323	D	94.8	Very high	97.4	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.182	27%	0.267	C	S	.	.			trans	-138.4	96	-178.9	-174.9	-2.2	0	0	0	110.6	A293 A319 I320 T325 Y326	A293-D323 HydrophobicContact CB-CB 3.8Å; A319-D323 PolarHBondContact O-N 3.29Å; I320-D323 CarbonylContact O-C 3.58Å; I320-D323 PolarHBondContact O-N 3.16Å; D323-T325 PolarHBondContact O-N 3.5Å; D323-T325 WeakPolarHBondContact OD1-CA 3.25Å; D323-T325 WeakPolarHBondContact OD1-CB 3.03Å; D323-T325 PolarHBondContact OD1-N 3.44Å; D323-T325 PolarHBondContact OD1-OG1 2.88Å; D323-Y326 VanDerWaalsContact O-CB 3.3Å; D323-Y326 WeakPolarHBondContact O-CB 3.3Å; D323-Y326 PolarHBondContact O-N 2.8Å; D323-Y326 PolarHBondContact OD1-N 2.89Å
324	E	95.4	Very high	97.4	Very high	141 Å²	141	55.8 Å²	55.8	66%	0.659	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	178	-64	-176.8	-178.8	0	0	112.8	I320 Y326 Y330	I320-E324 WeakPolarHBondContact O-CA 3.46Å; I320-E324 WeakPolarHBondContact O-CG 3.43Å; I320-E324 PolarHBondContact O-N 2.88Å; I320-E324 VanDerWaalsContact O-N 3.09Å; E324-Y326 VanDerWaalsContact C-N 3.3Å; E324-Y330 WeakPolarHBondContact O-CE2 3.46Å
325	T	93.8	Very high	97.4	Very high	111 Å²	111	54.3 Å²	54.3	68%	0.681	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.9	176.4	74.4	0	0	0	0	112.3	D323 I327	D323-T325 PolarHBondContact O-N 3.5Å; D323-T325 WeakPolarHBondContact OD1-CA 3.25Å; D323-T325 WeakPolarHBondContact OD1-CB 3.03Å; D323-T325 PolarHBondContact OD1-N 3.44Å; D323-T325 PolarHBondContact OD1-OG1 2.88Å; T325-I327 PolarHBondContact O-N 3.02Å
326	Y	95.6	Very high	97.3	Very high	32 Å²	32	54.2 Å²	54.2	13%	0.125	26%	0.255	C	S	.	.			trans	-82.3	78.4	-175.4	-167.5	-136.8	0	0	0	112.9	A293 K294 C297 D323 E324 K328 A329	A293-Y326 HydrophobicContact CB-CD1 4.23Å; A293-Y326 WeakPolarHBondContact O-CE1 3.19Å; K294-Y326 HydrophobicContact CG-CE1 4.33Å; K294-Y326 HydrophobicContact CG-CE2 4.18Å; C297-Y326 HydrophobicContact CB-CD1 4.33Å; C297-Y326 HydrophobicContact CB-CE1 3.41Å; C297-Y326 VanDerWaalsContact CB-CE1 3.41Å; D323-Y326 VanDerWaalsContact O-CB 3.3Å; D323-Y326 WeakPolarHBondContact O-CB 3.3Å; D323-Y326 PolarHBondContact O-N 2.8Å; D323-Y326 PolarHBondContact OD1-N 2.89Å; E324-Y326 VanDerWaalsContact C-N 3.3Å; Y326-K328 HydrophobicContact CD2-CB 4.5Å; Y326-K328 HydrophobicContact CE1-CB 4.44Å; Y326-K328 HydrophobicContact CE2-CB 3.96Å; Y326-K328 HydrophobicContact CE2-CD 4.15Å; Y326-K328 HydrophobicContact CE2-CG 4.31Å; Y326-K328 PolarHBondContact O-N 2.84Å; Y326-K328 VanDerWaalsContact O-N 3.08Å; Y326-A329 HydrophobicContact CD1-CB 3.78Å; Y326-A329 HydrophobicContact CE1-CB 4.32Å; Y326-A329 WeakPolarHBondContact O-CB 3.41Å; Y326-A329 PolarHBondContact O-N 2.92Å
327	I	96.3	Very high	97.3	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-52.8	-33.6	-175.3	-57.8	-51.7	0	0	0	114	T325 A329 Y330 L331 V353 T356 E357	T325-I327 PolarHBondContact O-N 3.02Å; I327-A329 PolarHBondContact O-N 3.24Å; I327-Y330 WeakPolarHBondContact O-CB 3.35Å; I327-Y330 PolarHBondContact O-N 3.23Å; I327-Y330 VanDerWaalsContact O-N 3.12Å; I327-L331 HydrophobicContact CG2-CD1 4.37Å; I327-L331 PolarHBondContact O-N 2.94Å; I327-V353 HydrophobicContact CG2-CB 4.36Å; I327-V353 HydrophobicContact CG2-CG1 3.78Å; I327-V353 HydrophobicContact CG2-CG2 4.04Å; I327-T356 HydrophobicContact CD1-CG2 3.82Å; I327-T356 HydrophobicContact CG1-CG2 4.39Å; I327-E357 HydrophobicContact CG1-CG 4.47Å
328	K	97.2	Very high	97.2	Very high	136 Å²	136	54 Å²	54	59%	0.591	25%	0.25	S	C	*	.	H	α-helix	trans	-59.7	-33.7	177.5	-69.1	-175.3	179.6	179.2	0	112.9	Y326 R332	Y326-K328 HydrophobicContact CD2-CB 4.5Å; Y326-K328 HydrophobicContact CE1-CB 4.44Å; Y326-K328 HydrophobicContact CE2-CB 3.96Å; Y326-K328 HydrophobicContact CE2-CD 4.15Å; Y326-K328 HydrophobicContact CE2-CG 4.31Å; Y326-K328 PolarHBondContact O-N 2.84Å; Y326-K328 VanDerWaalsContact O-N 3.08Å; K328-R332 WeakPolarHBondContact O-CB 3.38Å; K328-R332 WeakPolarHBondContact O-CG 3.45Å; K328-R332 PolarHBondContact O-N 3.11Å
329	A	98.1	Very high	97.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-38.3	176.9	0	0	0	0	0	111.7	C297 A319 I320 Y326 I327 R332 R333	C297-A329 HydrophobicContact CB-CB 4.46Å; A319-A329 HydrophobicContact CB-CB 3.8Å; I320-A329 HydrophobicContact CD1-CB 4.3Å; I320-A329 HydrophobicContact CG1-CB 3.72Å; Y326-A329 HydrophobicContact CD1-CB 3.78Å; Y326-A329 HydrophobicContact CE1-CB 4.32Å; Y326-A329 WeakPolarHBondContact O-CB 3.41Å; Y326-A329 PolarHBondContact O-N 2.92Å; I327-A329 PolarHBondContact O-N 3.24Å; A329-R332 PolarHBondContact O-N 3.04Å; A329-R333 WeakPolarHBondContact O-CB 3.44Å; A329-R333 PolarHBondContact O-N 3.39Å
330	Y	98.5	Very high	97	Very high	23 Å²	23	56 Å²	56	9%	0.09	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-47.6	173	-72.4	-89	0	0	0	111.8	I320 E324 I327 R332 R333 A334 D349 K352	I320-Y330 HydrophobicContact CB-CE2 4.39Å; I320-Y330 HydrophobicContact CD1-CD1 3.73Å; I320-Y330 HydrophobicContact CD1-CD2 3.99Å; I320-Y330 HydrophobicContact CD1-CE1 3.85Å; I320-Y330 HydrophobicContact CD1-CE2 4.11Å; I320-Y330 HydrophobicContact CD1-CG 3.81Å; I320-Y330 HydrophobicContact CG1-CD1 4.45Å; I320-Y330 HydrophobicContact CG1-CD2 3.88Å; I320-Y330 HydrophobicContact CG1-CE1 4.33Å; I320-Y330 HydrophobicContact CG1-CE2 3.76Å; I320-Y330 HydrophobicContact CG1-CG 4.24Å; I320-Y330 HydrophobicContact CG2-CE1 4.02Å; I320-Y330 HydrophobicContact CG2-CE2 3.83Å; I320-Y330 VanDerWaalsContact CG2-CZ 3.42Å; I320-Y330 WeakPolarHBondContact CG2-OH 3.33Å; E324-Y330 WeakPolarHBondContact O-CE2 3.46Å; I327-Y330 WeakPolarHBondContact O-CB 3.35Å; I327-Y330 PolarHBondContact O-N 3.23Å; I327-Y330 VanDerWaalsContact O-N 3.12Å; Y330-R332 VanDerWaalsContact C-N 3.27Å; Y330-R332 PolarHBondContact O-N 3.33Å; Y330-R333 PolarHBondContact O-N 3.03Å; Y330-A334 VanDerWaalsContact O-CB 3.25Å; Y330-A334 WeakPolarHBondContact O-CB 3.36Å; Y330-A334 PolarHBondContact O-N 3.07Å; Y330-D349 HydrophobicContact CD1-CB 4.41Å; Y330-K352 HydrophobicContact CD1-CG 4.18Å; Y330-K352 HydrophobicContact CE1-CG 3.92Å
331	L	98.1	Very high	96.9	Very high	43 Å²	43	62 Å²	62	23%	0.225	29%	0.293	C	S	.	.	H	α-helix	trans	-56.1	-43.2	175.9	-78.2	171.3	0	0	0	111.9	I327 Q335 Y350 V353 L365	I327-L331 HydrophobicContact CG2-CD1 4.37Å; I327-L331 PolarHBondContact O-N 2.94Å; L331-Q335 PolarHBondContact O-N 3.43Å; L331-Q335 VanDerWaalsContact O-N 3.1Å; L331-Y350 HydrophobicContact CD2-CD1 4.06Å; L331-Y350 HydrophobicContact CD2-CE1 3.77Å; L331-V353 HydrophobicContact CD2-CB 4.45Å; L331-V353 HydrophobicContact CD2-CG1 3.81Å; L331-V353 HydrophobicContact CD2-CG2 4.15Å; L331-V353 HydrophobicContact CG-CG1 4.06Å; L331-V353 HydrophobicContact CG-CG2 4.03Å; L331-L365 HydrophobicContact CD2-CD1 3.92Å
332	R	98.1	Very high	96.8	Very high	114 Å²	114	57.6 Å²	57.6	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-43.5	178.8	-75.2	-68.7	-178.9	-134.5	-5.6	112.5	T301 K328 A329 Y330 Q335 C336	T301-R332 PolarHBondContact OG1-NE 3.01Å; T301-R332 VanDerWaalsContact OG1-NE 3.14Å; K328-R332 WeakPolarHBondContact O-CB 3.38Å; K328-R332 WeakPolarHBondContact O-CG 3.45Å; K328-R332 PolarHBondContact O-N 3.11Å; A329-R332 PolarHBondContact O-N 3.04Å; Y330-R332 VanDerWaalsContact C-N 3.27Å; Y330-R332 PolarHBondContact O-N 3.33Å; R332-Q335 PolarHBondContact O-N 3.42Å; R332-C336 PolarHBondContact O-N 2.89Å; R332-C336 PolarHBondContact O-SG 3.02Å
333	R	98.6	Very high	96.8	Very high	32 Å²	32	56.5 Å²	56.5	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-42.5	178.2	-160.4	172	60.5	-179.9	-1	111.8	I313 C316 T317 I320 A329 Y330 Q335 C336 Y337 D349	I313-R333 HydrophobicContact CB-CG 4.47Å; I313-R333 HydrophobicContact CG1-CG 4.44Å; I313-R333 HydrophobicContact CG2-CG 4.1Å; C316-R333 HydrophobicContact CB-CB 3.57Å; C316-R333 HydrophobicContact CB-CG 3.93Å; T317-R333 VanDerWaalsContact OG1-CD 3.27Å; T317-R333 WeakPolarHBondContact OG1-CD 3.4Å; T317-R333 PolarHBondContact OG1-NH1 3.22Å; I320-R333 VanDerWaalsContact CD1-CZ 3.42Å; A329-R333 WeakPolarHBondContact O-CB 3.44Å; A329-R333 PolarHBondContact O-N 3.39Å; Y330-R333 PolarHBondContact O-N 3.03Å; R333-Q335 VanDerWaalsContact C-N 3.34Å; R333-Q335 PolarHBondContact O-N 3.28Å; R333-C336 PolarHBondContact O-N 3.25Å; R333-C336 VanDerWaalsContact O-N 3.13Å; R333-Y337 HydrophobicContact CG-CD2 4.03Å; R333-Y337 HydrophobicContact CG-CE2 3.57Å; R333-Y337 WeakPolarHBondContact O-CD2 3.49Å; R333-Y337 PolarHBondContact O-N 2.8Å; R333-D349 WeakPolarHBondContact CB-OD2 3.33Å; R333-D349 IonicContact CZ-OD1 3.84Å; R333-D349 IonicContact CZ-OD2 3.22Å; R333-D349 IonicContact NE-OD1 3.5Å; R333-D349 IonicContact NE-OD2 2.7Å; R333-D349 PolarHBondContact NE-OD2 3.45Å; R333-D349 IonicContact NH2-OD1 2.74Å; R333-D349 PolarHBondContact NH2-OD1 2.98Å; R333-D349 IonicContact NH2-OD2 3.51Å; R333-D349 PolarHBondContact NH2-OD2 2.95Å
334	A	98.3	Very high	96.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.5	-49.6	174.4	0	0	0	0	0	110.9	Y330 C336 Y337 M338 D349 Y350	Y330-A334 VanDerWaalsContact O-CB 3.25Å; Y330-A334 WeakPolarHBondContact O-CB 3.36Å; Y330-A334 PolarHBondContact O-N 3.07Å; A334-C336 VanDerWaalsContact C-N 3.33Å; A334-C336 PolarHBondContact O-N 2.99Å; A334-Y337 WeakPolarHBondContact O-CB 3.47Å; A334-Y337 PolarHBondContact O-N 3.35Å; A334-M338 VanDerWaalsContact O-CG 3.3Å; A334-M338 WeakPolarHBondContact O-CG 3.47Å; A334-M338 PolarHBondContact O-N 3.35Å; A334-D349 HydrophobicContact CB-CB 3.67Å; A334-Y350 HydrophobicContact CB-CD1 3.85Å; A334-Y350 HydrophobicContact CB-CD2 3.77Å; A334-Y350 HydrophobicContact CB-CE1 3.68Å; A334-Y350 HydrophobicContact CB-CE2 3.64Å; A334-Y350 HydrophobicContact CB-CG 3.87Å
335	Q	97.9	Very high	97.1	Very high	72 Å²	72	54.8 Å²	54.8	34%	0.336	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-44.3	176.3	-174.7	59.7	48.1	0	0	112.1	L331 R332 R333 Y337 M338 D339 Y350	L331-Q335 PolarHBondContact O-N 3.43Å; L331-Q335 VanDerWaalsContact O-N 3.1Å; R332-Q335 PolarHBondContact O-N 3.42Å; R333-Q335 VanDerWaalsContact C-N 3.34Å; R333-Q335 PolarHBondContact O-N 3.28Å; Q335-Y337 VanDerWaalsContact C-N 3.31Å; Q335-Y337 PolarHBondContact O-N 3.42Å; Q335-M338 WeakPolarHBondContact O-CB 3.49Å; Q335-M338 PolarHBondContact O-N 3.29Å; Q335-M338 VanDerWaalsContact O-N 3.16Å; Q335-D339 PolarHBondContact NE2-OD1 2.62Å; Q335-D339 PolarHBondContact O-N 3.38Å; Q335-Y350 PolarHBondContact OE1-OH 3.21Å
336	C	98	Very high	97.3	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-40	177.5	-62.2	0	0	0	0	111.7	S304 I313 R332 R333 A334 M338 D339 T340	S304-C336 PolarHBondContact OG-SG 3.38Å; I313-C336 HydrophobicContact CD1-CB 4Å; I313-C336 HydrophobicContact CG1-CB 3.46Å; I313-C336 VanDerWaalsContact CG1-CB 3.46Å; R332-C336 PolarHBondContact O-N 2.89Å; R332-C336 PolarHBondContact O-SG 3.02Å; R333-C336 PolarHBondContact O-N 3.25Å; R333-C336 VanDerWaalsContact O-N 3.13Å; A334-C336 VanDerWaalsContact C-N 3.33Å; A334-C336 PolarHBondContact O-N 2.99Å; C336-M338 VanDerWaalsContact C-N 3.33Å; C336-M338 PolarHBondContact O-N 3.16Å; C336-D339 PolarHBondContact O-N 3.25Å; C336-T340 WeakPolarHBondContact O-CG2 3.3Å; C336-T340 PolarHBondContact O-N 3.13Å; C336-T340 PolarHBondContact O-OG1 2.94Å; C336-T340 VanDerWaalsContact O-OG1 3.12Å
337	Y	98.4	Very high	97.4	Very high	28 Å²	28	48.7 Å²	48.7	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-37.5	174.2	-73.6	-42.3	0	0	0	113	I313 R333 A334 Q335 D339 T340 E341 Q342 E345	I313-Y337 HydrophobicContact CD1-CD1 3.69Å; I313-Y337 HydrophobicContact CD1-CE1 3.83Å; I313-Y337 HydrophobicContact CG1-CD1 4.2Å; I313-Y337 HydrophobicContact CG1-CE1 4.14Å; I313-Y337 HydrophobicContact CG2-CD1 4.44Å; I313-Y337 HydrophobicContact CG2-CE1 3.57Å; R333-Y337 HydrophobicContact CG-CD2 4.03Å; R333-Y337 HydrophobicContact CG-CE2 3.57Å; R333-Y337 WeakPolarHBondContact O-CD2 3.49Å; R333-Y337 PolarHBondContact O-N 2.8Å; A334-Y337 WeakPolarHBondContact O-CB 3.47Å; A334-Y337 PolarHBondContact O-N 3.35Å; Q335-Y337 VanDerWaalsContact C-N 3.31Å; Q335-Y337 PolarHBondContact O-N 3.42Å; Y337-D339 VanDerWaalsContact C-N 3.34Å; Y337-T340 WeakPolarHBondContact CA-OG1 3.32Å; Y337-T340 PolarHBondContact O-N 3.02Å; Y337-T340 PolarHBondContact O-OG1 2.88Å; Y337-E341 PolarHBondContact O-N 3.03Å; Y337-E341 VanDerWaalsContact O-N 3.16Å; Y337-Q342 HydrophobicContact CD1-CB 3.91Å; Y337-Q342 VanDerWaalsContact CD1-OE1 3.3Å; Y337-Q342 HydrophobicContact CG-CB 4.38Å; Y337-Q342 CarbonylContact O-C 3.45Å; Y337-Q342 WeakPolarHBondContact O-CA 3.41Å; Y337-Q342 PolarHBondContact O-N 2.69Å; Y337-E345 HydrophobicContact CD1-CB 3.89Å; Y337-E345 HydrophobicContact CD2-CB 3.46Å; Y337-E345 VanDerWaalsContact CD2-CB 3.46Å; Y337-E345 HydrophobicContact CE1-CB 4.04Å; Y337-E345 HydrophobicContact CE1-CG 4.4Å; Y337-E345 HydrophobicContact CE2-CB 3.6Å; Y337-E345 HydrophobicContact CG-CB 3.61Å
338	M	96.9	Very high	97.5	Very high	23 Å²	23	55 Å²	55	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-42.3	173.1	-61.6	-53.9	-65	0	0	111.1	A334 Q335 C336 T340 E341 Y343 Y350 A369 E372	A334-M338 VanDerWaalsContact O-CG 3.3Å; A334-M338 WeakPolarHBondContact O-CG 3.47Å; A334-M338 PolarHBondContact O-N 3.35Å; Q335-M338 WeakPolarHBondContact O-CB 3.49Å; Q335-M338 PolarHBondContact O-N 3.29Å; Q335-M338 VanDerWaalsContact O-N 3.16Å; C336-M338 VanDerWaalsContact C-N 3.33Å; C336-M338 PolarHBondContact O-N 3.16Å; M338-T340 VanDerWaalsContact C-N 3.3Å; M338-T340 PolarHBondContact O-N 2.7Å; M338-E341 PolarHBondContact O-N 3.22Å; M338-Y343 HydrophobicContact CE-CD1 3.48Å; M338-Y343 VanDerWaalsContact CE-CD1 3.48Å; M338-Y343 HydrophobicContact CE-CE1 3.9Å; M338-Y343 HydrophobicContact SD-CD1 4.01Å; M338-Y350 HydrophobicContact CG-CE2 3.96Å; M338-A369 HydrophobicContact CE-CB 3.81Å; M338-A369 HydrophobicContact SD-CB 3.72Å; M338-E372 HydrophobicContact CE-CB 3.68Å; M338-E372 HydrophobicContact CE-CG 4.03Å
339	D	95.4	Very high	97.6	Very high	84 Å²	84	49 Å²	49	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-69.1	-26.8	179.8	-62.7	-17.7	0	0	0	112.6	L309 Q335 C336 Y337	L309-D339 HydrophobicContact CD1-CB 3.79Å; L309-D339 HydrophobicContact CD2-CB 4.37Å; Q335-D339 PolarHBondContact NE2-OD1 2.62Å; Q335-D339 PolarHBondContact O-N 3.38Å; C336-D339 PolarHBondContact O-N 3.25Å; Y337-D339 VanDerWaalsContact C-N 3.34Å
340	T	96.2	Very high	97.6	Very high	34 Å²	34	49.4 Å²	49.4	21%	0.209	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	11.3	174.2	61.5	0	0	0	0	113.6	L309 I313 C336 Y337 M338 Q342	L309-T340 HydrophobicContact CB-CG2 3.61Å; L309-T340 HydrophobicContact CD1-CG2 3.73Å; L309-T340 HydrophobicContact CG-CG2 4.31Å; I313-T340 HydrophobicContact CD1-CG2 4.28Å; C336-T340 WeakPolarHBondContact O-CG2 3.3Å; C336-T340 PolarHBondContact O-N 3.13Å; C336-T340 PolarHBondContact O-OG1 2.94Å; C336-T340 VanDerWaalsContact O-OG1 3.12Å; Y337-T340 WeakPolarHBondContact CA-OG1 3.32Å; Y337-T340 PolarHBondContact O-N 3.02Å; Y337-T340 PolarHBondContact O-OG1 2.88Å; M338-T340 VanDerWaalsContact C-N 3.3Å; M338-T340 PolarHBondContact O-N 2.7Å; T340-Q342 PolarHBondContact O-N 2.84Å; T340-Q342 VanDerWaalsContact O-N 3.15Å; T340-Q342 PolarHBondContact OG1-OE1 3.18Å
341	E	95	Very high	97.5	Very high	139 Å²	139	52.4 Å²	52.4	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	18.6	179.6	-51.4	-170.9	168.6	0	0	115.1	Y337 M338 Y343	Y337-E341 PolarHBondContact O-N 3.03Å; Y337-E341 VanDerWaalsContact O-N 3.16Å; M338-E341 PolarHBondContact O-N 3.22Å; E341-Y343 HydrophobicContact CB-CD2 4.34Å; E341-Y343 HydrophobicContact CB-CE2 3.64Å; E341-Y343 HydrophobicContact CG-CE2 4.22Å; E341-Y343 WeakPolarHBondContact O-CD2 3.49Å; E341-Y343 PolarHBondContact O-N 3.39Å
342	Q	96.9	Very high	97.5	Very high	88 Å²	88	54.7 Å²	54.7	41%	0.411	25%	0.246	S	C	.	.			trans	-84.4	59	172.4	-63.5	179.3	-67.5	0	0	110.1	Y337 T340 E344 E345 G346	Y337-Q342 HydrophobicContact CD1-CB 3.91Å; Y337-Q342 VanDerWaalsContact CD1-OE1 3.3Å; Y337-Q342 HydrophobicContact CG-CB 4.38Å; Y337-Q342 CarbonylContact O-C 3.45Å; Y337-Q342 WeakPolarHBondContact O-CA 3.41Å; Y337-Q342 PolarHBondContact O-N 2.69Å; T340-Q342 PolarHBondContact O-N 2.84Å; T340-Q342 VanDerWaalsContact O-N 3.15Å; T340-Q342 PolarHBondContact OG1-OE1 3.18Å; Q342-E344 VanDerWaalsContact C-N 3.34Å; Q342-E344 PolarHBondContact O-N 3.4Å; Q342-E345 HydrophobicContact CB-CB 4.37Å; Q342-E345 HydrophobicContact CB-CG 4.31Å; Q342-E345 WeakPolarHBondContact O-CB 3.4Å; Q342-E345 PolarHBondContact O-N 3.15Å; Q342-G346 PolarHBondContact O-N 3.08Å; Q342-G346 VanDerWaalsContact O-N 3.11Å
343	Y	95.9	Very high	97.5	Very high	35 Å²	35	49.2 Å²	49.2	14%	0.137	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-37.6	-167.6	-60.8	-66.4	0	0	0	114.1	M338 E341 E345 G346 V347 E372 S376	M338-Y343 HydrophobicContact CE-CD1 3.48Å; M338-Y343 VanDerWaalsContact CE-CD1 3.48Å; M338-Y343 HydrophobicContact CE-CE1 3.9Å; M338-Y343 HydrophobicContact SD-CD1 4.01Å; E341-Y343 HydrophobicContact CB-CD2 4.34Å; E341-Y343 HydrophobicContact CB-CE2 3.64Å; E341-Y343 HydrophobicContact CG-CE2 4.22Å; E341-Y343 WeakPolarHBondContact O-CD2 3.49Å; E341-Y343 PolarHBondContact O-N 3.39Å; Y343-E345 VanDerWaalsContact C-N 3.32Å; Y343-E345 PolarHBondContact O-N 3.42Å; Y343-G346 PolarHBondContact O-N 3.41Å; Y343-V347 WeakPolarHBondContact O-CG2 3.39Å; Y343-V347 PolarHBondContact O-N 3.37Å; Y343-E372 HydrophobicContact CD1-CB 3.88Å; Y343-E372 HydrophobicContact CE1-CB 3.8Å; Y343-S376 VanDerWaalsContact CD2-CB 3.45Å; Y343-S376 WeakPolarHBondContact CD2-OG 3.41Å
344	E	96.9	Very high	97.4	Very high	83 Å²	83	51 Å²	51	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-57.7	-46	175.1	-74.3	82.6	178.4	0	0	111.8	Q342 V347 R348 L373 K377	Q342-E344 VanDerWaalsContact C-N 3.34Å; Q342-E344 PolarHBondContact O-N 3.4Å; E344-V347 PolarHBondContact O-N 3.17Å; E344-R348 WeakPolarHBondContact O-CG 3.37Å; E344-R348 PolarHBondContact O-N 3.21Å; E344-L373 VanDerWaalsContact CD-CD1 3.43Å; E344-L373 HydrophobicContact CG-CD1 3.86Å; E344-L373 HydrophobicContact CG-CD2 4.48Å; E344-L373 WeakPolarHBondContact OE1-CD1 3.33Å; E344-K377 WeakPolarHBondContact OE1-CE 3.44Å; E344-K377 IonicContact OE1-NZ 2.65Å; E344-K377 PolarHBondContact OE1-NZ 3.39Å
345	E	98.1	Very high	97.3	Very high	57 Å²	57	56.3 Å²	56.3	27%	0.266	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-43.5	-179.8	-57.4	-55.2	142.8	0	0	111.6	Y337 Q342 Y343 V347 R348 D349	Y337-E345 HydrophobicContact CD1-CB 3.89Å; Y337-E345 HydrophobicContact CD2-CB 3.46Å; Y337-E345 VanDerWaalsContact CD2-CB 3.46Å; Y337-E345 HydrophobicContact CE1-CB 4.04Å; Y337-E345 HydrophobicContact CE1-CG 4.4Å; Y337-E345 HydrophobicContact CE2-CB 3.6Å; Y337-E345 HydrophobicContact CG-CB 3.61Å; Q342-E345 HydrophobicContact CB-CB 4.37Å; Q342-E345 HydrophobicContact CB-CG 4.31Å; Q342-E345 WeakPolarHBondContact O-CB 3.4Å; Q342-E345 PolarHBondContact O-N 3.15Å; Y343-E345 VanDerWaalsContact C-N 3.32Å; Y343-E345 PolarHBondContact O-N 3.42Å; E345-V347 PolarHBondContact O-N 3.31Å; E345-R348 PolarHBondContact O-N 3.37Å; E345-R348 IonicContact OE1-CZ 3.41Å; E345-R348 VanDerWaalsContact OE1-CZ 3.29Å; E345-R348 IonicContact OE1-NE 2.73Å; E345-R348 IonicContact OE1-NH2 2.59Å; E345-R348 PolarHBondContact OE1-NH2 3.09Å; E345-R348 IonicContact OE2-CZ 3.21Å; E345-R348 VanDerWaalsContact OE2-CZ 3.23Å; E345-R348 IonicContact OE2-NE 3.89Å; E345-R348 PolarHBondContact OE2-NE 3.39Å; E345-R348 IonicContact OE2-NH2 2.76Å; E345-R348 PolarHBondContact OE2-NH2 3.2Å; E345-D349 PolarHBondContact O-N 3.31Å
346	G	98.1	Very high	97.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-44.8	175.6	0	0	0	0	0	112.6	Q342 Y343 D349 Y350	Q342-G346 PolarHBondContact O-N 3.08Å; Q342-G346 VanDerWaalsContact O-N 3.11Å; Y343-G346 PolarHBondContact O-N 3.41Å; G346-D349 PolarHBondContact O-N 3.49Å; G346-Y350 VanDerWaalsContact O-CD2 3.26Å; G346-Y350 WeakPolarHBondContact O-CD2 3.48Å; G346-Y350 PolarHBondContact O-N 2.91Å
347	V	98.2	Very high	96.9	Very high	14 Å²	14	60.6 Å²	60.6	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-42.6	175.6	170.7	0	0	0	0	111.3	Y343 E344 E345 D349 Y350 E351 L366 A369 Q370 L373	Y343-V347 WeakPolarHBondContact O-CG2 3.39Å; Y343-V347 PolarHBondContact O-N 3.37Å; E344-V347 PolarHBondContact O-N 3.17Å; E345-V347 PolarHBondContact O-N 3.31Å; V347-D349 PolarHBondContact O-N 3.4Å; V347-Y350 PolarHBondContact O-N 3.26Å; V347-E351 VanDerWaalsContact O-CB 3.28Å; V347-E351 WeakPolarHBondContact O-CB 3.32Å; V347-E351 PolarHBondContact O-N 3.41Å; V347-L366 HydrophobicContact CG1-CD1 4.08Å; V347-A369 HydrophobicContact CG2-CB 3.77Å; V347-Q370 HydrophobicContact CG1-CG 3.92Å; V347-Q370 HydrophobicContact CG2-CG 4.18Å; V347-L373 HydrophobicContact CB-CD2 4.4Å; V347-L373 HydrophobicContact CG2-CB 4.17Å; V347-L373 HydrophobicContact CG2-CD2 3.99Å
348	R	98.4	Very high	96.7	Very high	147 Å²	147	67.3 Å²	67.3	56%	0.555	31%	0.313	S	S	*	.	H	α-helix	trans	-59.2	-46.3	177.4	-72.7	-163.9	-66.4	-162.7	10.3	112.2	E344 E345 E351 K352	E344-R348 WeakPolarHBondContact O-CG 3.37Å; E344-R348 PolarHBondContact O-N 3.21Å; E345-R348 PolarHBondContact O-N 3.37Å; E345-R348 IonicContact OE1-CZ 3.41Å; E345-R348 VanDerWaalsContact OE1-CZ 3.29Å; E345-R348 IonicContact OE1-NE 2.73Å; E345-R348 IonicContact OE1-NH2 2.59Å; E345-R348 PolarHBondContact OE1-NH2 3.09Å; E345-R348 IonicContact OE2-CZ 3.21Å; E345-R348 VanDerWaalsContact OE2-CZ 3.23Å; E345-R348 IonicContact OE2-NE 3.89Å; E345-R348 PolarHBondContact OE2-NE 3.39Å; E345-R348 IonicContact OE2-NH2 2.76Å; E345-R348 PolarHBondContact OE2-NH2 3.2Å; R348-E351 PolarHBondContact O-N 3Å; R348-K352 PolarHBondContact O-N 2.87Å
349	D	98.4	Very high	96.7	Very high	11 Å²	11	69 Å²	69	6%	0.059	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-43.3	178.6	-82.9	-11.1	0	0	0	111.6	Y330 R333 A334 E345 G346 V347 E351 K352 V353	Y330-D349 HydrophobicContact CD1-CB 4.41Å; R333-D349 WeakPolarHBondContact CB-OD2 3.33Å; R333-D349 IonicContact CZ-OD1 3.84Å; R333-D349 IonicContact CZ-OD2 3.22Å; R333-D349 IonicContact NE-OD1 3.5Å; R333-D349 IonicContact NE-OD2 2.7Å; R333-D349 PolarHBondContact NE-OD2 3.45Å; R333-D349 IonicContact NH2-OD1 2.74Å; R333-D349 PolarHBondContact NH2-OD1 2.98Å; R333-D349 IonicContact NH2-OD2 3.51Å; R333-D349 PolarHBondContact NH2-OD2 2.95Å; A334-D349 HydrophobicContact CB-CB 3.67Å; E345-D349 PolarHBondContact O-N 3.31Å; G346-D349 PolarHBondContact O-N 3.49Å; V347-D349 PolarHBondContact O-N 3.4Å; D349-E351 VanDerWaalsContact C-N 3.3Å; D349-E351 PolarHBondContact O-N 3.29Å; D349-K352 WeakPolarHBondContact O-CB 3.5Å; D349-K352 PolarHBondContact O-N 3.14Å; D349-V353 VanDerWaalsContact O-CG2 3.29Å; D349-V353 WeakPolarHBondContact O-CG2 3.49Å; D349-V353 PolarHBondContact O-N 3.05Å
350	Y	98.4	Very high	96.7	Very high	9 Å²	9	74.3 Å²	74.3	4%	0.035	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-33.5	175.5	-78.5	-49.8	0	0	0	113.3	L331 A334 Q335 M338 G346 V347 V353 Y354 L365 A369	L331-Y350 HydrophobicContact CD2-CD1 4.06Å; L331-Y350 HydrophobicContact CD2-CE1 3.77Å; A334-Y350 HydrophobicContact CB-CD1 3.85Å; A334-Y350 HydrophobicContact CB-CD2 3.77Å; A334-Y350 HydrophobicContact CB-CE1 3.68Å; A334-Y350 HydrophobicContact CB-CE2 3.64Å; A334-Y350 HydrophobicContact CB-CG 3.87Å; Q335-Y350 PolarHBondContact OE1-OH 3.21Å; M338-Y350 HydrophobicContact CG-CE2 3.96Å; G346-Y350 VanDerWaalsContact O-CD2 3.26Å; G346-Y350 WeakPolarHBondContact O-CD2 3.48Å; G346-Y350 PolarHBondContact O-N 2.91Å; V347-Y350 PolarHBondContact O-N 3.26Å; Y350-V353 PolarHBondContact O-N 3.48Å; Y350-Y354 WeakPolarHBondContact O-CB 3.49Å; Y350-Y354 PolarHBondContact O-N 2.89Å; Y350-L365 HydrophobicContact CD1-CB 3.91Å; Y350-L365 HydrophobicContact CD1-CD1 4.44Å; Y350-L365 HydrophobicContact CE1-CB 3.82Å; Y350-L365 HydrophobicContact CE1-CD1 3.9Å; Y350-L365 HydrophobicContact CE1-CG 4.3Å; Y350-L365 HydrophobicContact CG-CB 4.41Å; Y350-A369 HydrophobicContact CD2-CB 3.59Å; Y350-A369 HydrophobicContact CE2-CB 4.04Å
351	E	97.9	Very high	96.6	Very high	85 Å²	85	79.3 Å²	79.3	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-46	174.6	-174.5	175.1	-167.8	0	0	110.6	V347 R348 D349 V353 Y354 Q355 L366	V347-E351 VanDerWaalsContact O-CB 3.28Å; V347-E351 WeakPolarHBondContact O-CB 3.32Å; V347-E351 PolarHBondContact O-N 3.41Å; R348-E351 PolarHBondContact O-N 3Å; D349-E351 VanDerWaalsContact C-N 3.3Å; D349-E351 PolarHBondContact O-N 3.29Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 3.25Å; E351-Y354 PolarHBondContact O-N 3.33Å; E351-Q355 HydrophobicContact CG-CG 4.34Å; E351-Q355 WeakPolarHBondContact O-CB 3.4Å; E351-Q355 VanDerWaalsContact O-CG 3.24Å; E351-Q355 WeakPolarHBondContact O-CG 2.95Å; E351-Q355 PolarHBondContact O-N 3.43Å; E351-Q355 PolarHBondContact OE1-NE2 3.42Å; E351-L366 HydrophobicContact CB-CD1 4.09Å
352	K	97.3	Very high	96.7	Very high	91 Å²	91	73.3 Å²	73.3	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-57.4	-43.1	173.8	179.8	63.9	177.1	-174.1	0	111.9	Y330 R348 D349 T356	Y330-K352 HydrophobicContact CD1-CG 4.18Å; Y330-K352 HydrophobicContact CE1-CG 3.92Å; R348-K352 PolarHBondContact O-N 2.87Å; D349-K352 WeakPolarHBondContact O-CB 3.5Å; D349-K352 PolarHBondContact O-N 3.14Å; K352-T356 PolarHBondContact O-N 2.88Å; K352-T356 VanDerWaalsContact O-N 3.16Å; K352-T356 PolarHBondContact O-OG1 3.48Å
353	V	97.5	Very high	96.6	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-51.1	175.6	171.7	0	0	0	0	110.7	I327 L331 D349 Y350 E351 Q355 T356 E357 H362	I327-V353 HydrophobicContact CG2-CB 4.36Å; I327-V353 HydrophobicContact CG2-CG1 3.78Å; I327-V353 HydrophobicContact CG2-CG2 4.04Å; L331-V353 HydrophobicContact CD2-CB 4.45Å; L331-V353 HydrophobicContact CD2-CG1 3.81Å; L331-V353 HydrophobicContact CD2-CG2 4.15Å; L331-V353 HydrophobicContact CG-CG1 4.06Å; L331-V353 HydrophobicContact CG-CG2 4.03Å; D349-V353 VanDerWaalsContact O-CG2 3.29Å; D349-V353 WeakPolarHBondContact O-CG2 3.49Å; D349-V353 PolarHBondContact O-N 3.05Å; Y350-V353 PolarHBondContact O-N 3.48Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 3.25Å; V353-Q355 PolarHBondContact O-N 3.18Å; V353-T356 PolarHBondContact O-N 3.27Å; V353-E357 PolarHBondContact O-N 3.49Å; V353-H362 HydrophobicContact CG1-CB 4.14Å
354	Y	97	Very high	96.6	Very high	68 Å²	68	79.3 Å²	79.3	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-36.1	-178.2	178.6	-115.3	0	0	0	113.2	Y350 E351 T356 E357 K358 H362 K363 L366	Y350-Y354 WeakPolarHBondContact O-CB 3.49Å; Y350-Y354 PolarHBondContact O-N 2.89Å; E351-Y354 PolarHBondContact O-N 3.33Å; Y354-T356 VanDerWaalsContact C-N 3.25Å; Y354-T356 PolarHBondContact O-N 2.89Å; Y354-E357 CarbonylContact O-C 3.35Å; Y354-K358 HydrophobicContact CE2-CB 4.26Å; Y354-K358 VanDerWaalsContact O-CG 3.26Å; Y354-K358 WeakPolarHBondContact O-CG 3.33Å; Y354-K358 PolarHBondContact O-N 3.2Å; Y354-H362 HydrophobicContact CD2-CB 4.17Å; Y354-K363 HydrophobicContact CD2-CB 4.03Å; Y354-K363 HydrophobicContact CE2-CB 3.6Å; Y354-K363 HydrophobicContact CE2-CD 4.47Å; Y354-K363 HydrophobicContact CE2-CG 4.11Å; Y354-L366 HydrophobicContact CD1-CD2 3.96Å; Y354-L366 HydrophobicContact CG-CD2 4.28Å
355	Q	95.9	Very high	96.6	Very high	113 Å²	113	77.6 Å²	77.6	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-35.5	174.4	-74.3	175.9	7.4	0	0	111.8	E351 V353	E351-Q355 HydrophobicContact CG-CG 4.34Å; E351-Q355 WeakPolarHBondContact O-CB 3.4Å; E351-Q355 VanDerWaalsContact O-CG 3.24Å; E351-Q355 WeakPolarHBondContact O-CG 2.95Å; E351-Q355 PolarHBondContact O-N 3.43Å; E351-Q355 PolarHBondContact OE1-NE2 3.42Å; V353-Q355 PolarHBondContact O-N 3.18Å
356	T	94.6	Very high	96.5	Very high	80 Å²	80	75.5 Å²	75.5	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-82.2	-46.2	179.4	-47.5	0	0	0	0	111.8	I327 K352 V353 Y354	I327-T356 HydrophobicContact CD1-CG2 3.82Å; I327-T356 HydrophobicContact CG1-CG2 4.39Å; K352-T356 PolarHBondContact O-N 2.88Å; K352-T356 VanDerWaalsContact O-N 3.16Å; K352-T356 PolarHBondContact O-OG1 3.48Å; V353-T356 PolarHBondContact O-N 3.27Å; Y354-T356 VanDerWaalsContact C-N 3.25Å; Y354-T356 PolarHBondContact O-N 2.89Å
357	E	93.9	Very high	96.3	Very high	84 Å²	84	81.7 Å²	81.7	39%	0.393	37%	0.374	S	S	.	.	S	Bend	trans	-124.9	94.2	-177.3	-64.9	-176	166	0	0	109.9	I327 V353 Y354 T359 H362	I327-E357 HydrophobicContact CG1-CG 4.47Å; V353-E357 PolarHBondContact O-N 3.49Å; Y354-E357 CarbonylContact O-C 3.35Å; E357-T359 HydrophobicContact CB-CG2 4.41Å; E357-T359 PolarHBondContact O-N 3.42Å; E357-H362 PolarHBondContact O-ND1 3.22Å; E357-H362 IonicContact OE2-CE1 2.62Å; E357-H362 PolarHBondContact OE2-CE1 3.37Å; E357-H362 IonicContact OE2-ND1 3.72Å
358	K	94.7	Very high	96.1	Very high	169 Å²	169	83.8 Å²	83.8	74%	0.735	39%	0.387	S	S	*	.			trans	-75.6	51	-175.3	-64.4	179.3	-179.3	178.1	0	113.7	Y354	Y354-K358 HydrophobicContact CE2-CB 4.26Å; Y354-K358 VanDerWaalsContact O-CG 3.26Å; Y354-K358 WeakPolarHBondContact O-CG 3.33Å; Y354-K358 PolarHBondContact O-N 3.2Å
359	T	95.8	Very high	95.9	Very high	58 Å²	58	76.8 Å²	76.8	36%	0.356	36%	0.361	S	S	.	.			trans	-83.1	157.4	179.5	74.9	0	0	0	0	111.4	E357 E361 H362 K363	E357-T359 HydrophobicContact CB-CG2 4.41Å; E357-T359 PolarHBondContact O-N 3.42Å; T359-E361 VanDerWaalsContact C-N 3.25Å; T359-E361 PolarHBondContact O-N 2.85Å; T359-H362 PolarHBondContact O-N 3.46Å; T359-H362 PolarHBondContact OG1-N 2.89Å; T359-H362 VanDerWaalsContact OG1-N 3.1Å; T359-H362 PolarHBondContact OG1-ND1 3.44Å; T359-H362 VanDerWaalsContact OG1-ND1 3.11Å; T359-K363 PolarHBondContact O-N 3.34Å; T359-K363 VanDerWaalsContact O-N 3.12Å
360	K	95.4	Very high	95.7	Very high	196 Å²	196	79.9 Å²	79.9	85%	0.852	37%	0.374	S	S	*	.	H	α-helix	trans	-61.9	-36	174.3	-69.2	-176.1	179.9	179	0	111.9	H364	K360-H364 PolarHBondContact O-N 3.31Å
361	E	95.3	Very high	95.3	Very high	139 Å²	139	81.3 Å²	81.3	65%	0.65	38%	0.383	S	S	*	.	H	α-helix	trans	-64.6	-49.2	178.4	-176	176.2	-178.4	0	0	111.4	T359 K363 H364 L365	T359-E361 VanDerWaalsContact C-N 3.25Å; T359-E361 PolarHBondContact O-N 2.85Å; E361-K363 VanDerWaalsContact C-N 3.31Å; E361-K363 PolarHBondContact O-N 2.86Å; E361-H364 WeakPolarHBondContact O-CB 3.43Å; E361-H364 PolarHBondContact O-N 2.87Å; E361-L365 HydrophobicContact CG-CD1 4.46Å; E361-L365 PolarHBondContact O-N 2.95Å
362	H	96.2	Very high	94.9	Very high	13 Å²	13	80 Å²	80	6%	0.06	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-36	178.9	-59.3	157.6	0	0	0	112.3	V353 Y354 E357 T359 H364 L365 L366	V353-H362 HydrophobicContact CG1-CB 4.14Å; Y354-H362 HydrophobicContact CD2-CB 4.17Å; E357-H362 PolarHBondContact O-ND1 3.22Å; E357-H362 IonicContact OE2-CE1 2.62Å; E357-H362 PolarHBondContact OE2-CE1 3.37Å; E357-H362 IonicContact OE2-ND1 3.72Å; T359-H362 PolarHBondContact O-N 3.46Å; T359-H362 PolarHBondContact OG1-N 2.89Å; T359-H362 VanDerWaalsContact OG1-N 3.1Å; T359-H362 PolarHBondContact OG1-ND1 3.44Å; T359-H362 VanDerWaalsContact OG1-ND1 3.11Å; H362-H364 VanDerWaalsContact C-N 3.29Å; H362-H364 PolarHBondContact O-N 2.76Å; H362-L365 PolarHBondContact O-N 2.73Å; H362-L366 WeakPolarHBondContact O-CB 3.49Å; H362-L366 PolarHBondContact O-N 2.75Å
363	K	95.8	Very high	94.6	Very high	125 Å²	125	76.9 Å²	76.9	54%	0.543	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-41.7	171.9	-170.2	177.9	179.5	178.3	0	111.6	Y354 T359 E361 K367	Y354-K363 HydrophobicContact CD2-CB 4.03Å; Y354-K363 HydrophobicContact CE2-CB 3.6Å; Y354-K363 HydrophobicContact CE2-CD 4.47Å; Y354-K363 HydrophobicContact CE2-CG 4.11Å; T359-K363 PolarHBondContact O-N 3.34Å; T359-K363 VanDerWaalsContact O-N 3.12Å; E361-K363 VanDerWaalsContact C-N 3.31Å; E361-K363 PolarHBondContact O-N 2.86Å; K363-K367 WeakPolarHBondContact O-CB 3.39Å; K363-K367 PolarHBondContact O-N 2.86Å
364	H	95	Very high	94.2	Very high	124 Å²	124	80.8 Å²	80.8	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-65.8	-47.7	177.8	-178.9	63.5	0	0	0	111.3	K360 E361 H362 L366 K367 T368	K360-H364 PolarHBondContact O-N 3.31Å; E361-H364 WeakPolarHBondContact O-CB 3.43Å; E361-H364 PolarHBondContact O-N 2.87Å; H362-H364 VanDerWaalsContact C-N 3.29Å; H362-H364 PolarHBondContact O-N 2.76Å; H364-L366 VanDerWaalsContact C-N 3.34Å; H364-L366 PolarHBondContact O-N 2.77Å; H364-K367 PolarHBondContact O-N 3.34Å; H364-T368 PolarHBondContact O-N 3.39Å; H364-T368 PolarHBondContact O-OG1 3.35Å
365	L	96.7	Very high	93.7	Very high	46 Å²	46	82 Å²	82	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-56.5	-46.3	176.1	-69.5	171.1	0	0	0	112	L331 Y350 E361 H362 T368 A369	L331-L365 HydrophobicContact CD2-CD1 3.92Å; Y350-L365 HydrophobicContact CD1-CB 3.91Å; Y350-L365 HydrophobicContact CD1-CD1 4.44Å; Y350-L365 HydrophobicContact CE1-CB 3.82Å; Y350-L365 HydrophobicContact CE1-CD1 3.9Å; Y350-L365 HydrophobicContact CE1-CG 4.3Å; Y350-L365 HydrophobicContact CG-CB 4.41Å; E361-L365 HydrophobicContact CG-CD1 4.46Å; E361-L365 PolarHBondContact O-N 2.95Å; H362-L365 PolarHBondContact O-N 2.73Å; L365-T368 PolarHBondContact O-N 3.21Å; L365-A369 WeakPolarHBondContact O-CB 3.22Å; L365-A369 PolarHBondContact O-N 2.75Å
366	L	97.1	Very high	93.3	Very high	14 Å²	14	79.5 Å²	79.5	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-46.4	176.3	177.7	58.8	0	0	0	111.8	V347 E351 Y354 H362 H364 T368 A369 Q370	V347-L366 HydrophobicContact CG1-CD1 4.08Å; E351-L366 HydrophobicContact CB-CD1 4.09Å; Y354-L366 HydrophobicContact CD1-CD2 3.96Å; Y354-L366 HydrophobicContact CG-CD2 4.28Å; H362-L366 WeakPolarHBondContact O-CB 3.49Å; H362-L366 PolarHBondContact O-N 2.75Å; H364-L366 VanDerWaalsContact C-N 3.34Å; H364-L366 PolarHBondContact O-N 2.77Å; L366-T368 VanDerWaalsContact C-N 3.34Å; L366-T368 PolarHBondContact O-N 3.08Å; L366-A369 PolarHBondContact O-N 3.21Å; L366-Q370 HydrophobicContact CD1-CG 4.13Å; L366-Q370 HydrophobicContact CG-CG 4.49Å; L366-Q370 WeakPolarHBondContact O-CB 3.45Å; L366-Q370 VanDerWaalsContact O-CG 3.28Å; L366-Q370 WeakPolarHBondContact O-CG 3.23Å; L366-Q370 PolarHBondContact O-N 3.36Å
367	K	93.7	Very high	92.9	Very high	130 Å²	130	81.5 Å²	81.5	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-62.1	-42.8	178.9	-171.7	179.4	-179	-176.3	0	111.3	K363 H364 Q370 L371	K363-K367 WeakPolarHBondContact O-CB 3.39Å; K363-K367 PolarHBondContact O-N 2.86Å; H364-K367 PolarHBondContact O-N 3.34Å; K367-Q370 PolarHBondContact O-N 3.35Å; K367-L371 WeakPolarHBondContact O-CB 3.3Å; K367-L371 PolarHBondContact O-N 3.12Å
368	T	93.1	Very high	92.6	Very high	57 Å²	57	81 Å²	81	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-45.7	176.7	-59	0	0	0	0	110.8	H364 L365 L366 Q370 L371 E372	H364-T368 PolarHBondContact O-N 3.39Å; H364-T368 PolarHBondContact O-OG1 3.35Å; L365-T368 PolarHBondContact O-N 3.21Å; L366-T368 VanDerWaalsContact C-N 3.34Å; L366-T368 PolarHBondContact O-N 3.08Å; T368-Q370 PolarHBondContact O-N 2.91Å; T368-L371 WeakPolarHBondContact O-CB 3.47Å; T368-L371 PolarHBondContact O-N 3.43Å; T368-E372 PolarHBondContact O-N 3.5Å
369	A	95.3	Very high	92.2	Very high	1 Å²	1	76.7 Å²	76.7	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-40.8	177.3	0	0	0	0	0	112.8	M338 V347 Y350 L365 L366 L371 E372 L373	M338-A369 HydrophobicContact CE-CB 3.81Å; M338-A369 HydrophobicContact SD-CB 3.72Å; V347-A369 HydrophobicContact CG2-CB 3.77Å; Y350-A369 HydrophobicContact CD2-CB 3.59Å; Y350-A369 HydrophobicContact CE2-CB 4.04Å; L365-A369 WeakPolarHBondContact O-CB 3.22Å; L365-A369 PolarHBondContact O-N 2.75Å; L366-A369 PolarHBondContact O-N 3.21Å; A369-L371 VanDerWaalsContact C-N 3.32Å; A369-L371 PolarHBondContact O-N 2.85Å; A369-E372 PolarHBondContact O-N 3.19Å; A369-L373 WeakPolarHBondContact O-CB 3.36Å; A369-L373 PolarHBondContact O-N 3.4Å
370	Q	93.5	Very high	91.8	Very high	75 Å²	75	77.8 Å²	77.8	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-37.4	174.6	-74.5	173.2	-19.7	0	0	112.1	V347 L366 K367 T368 L373 K374	V347-Q370 HydrophobicContact CG1-CG 3.92Å; V347-Q370 HydrophobicContact CG2-CG 4.18Å; L366-Q370 HydrophobicContact CD1-CG 4.13Å; L366-Q370 HydrophobicContact CG-CG 4.49Å; L366-Q370 WeakPolarHBondContact O-CB 3.45Å; L366-Q370 VanDerWaalsContact O-CG 3.28Å; L366-Q370 WeakPolarHBondContact O-CG 3.23Å; L366-Q370 PolarHBondContact O-N 3.36Å; K367-Q370 PolarHBondContact O-N 3.35Å; T368-Q370 PolarHBondContact O-N 2.91Å; Q370-L373 PolarHBondContact O-N 3.38Å; Q370-K374 WeakPolarHBondContact O-CG 3.38Å; Q370-K374 PolarHBondContact O-N 3.19Å
371	L	88.8	Confident	91.6	Very high	40 Å²	40	69.5 Å²	69.5	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-44.6	175.5	-179.4	63	0	0	0	111.3	K367 T368 A369 L373 K374 K375 L452	K367-L371 WeakPolarHBondContact O-CB 3.3Å; K367-L371 PolarHBondContact O-N 3.12Å; T368-L371 WeakPolarHBondContact O-CB 3.47Å; T368-L371 PolarHBondContact O-N 3.43Å; A369-L371 VanDerWaalsContact C-N 3.32Å; A369-L371 PolarHBondContact O-N 2.85Å; L371-L373 VanDerWaalsContact C-N 3.35Å; L371-L373 PolarHBondContact O-N 3.43Å; L371-K374 WeakPolarHBondContact O-CB 3.29Å; L371-K374 PolarHBondContact O-N 2.88Å; L371-K375 WeakPolarHBondContact O-CG 3.09Å; L371-K375 PolarHBondContact O-N 3.29Å; L371-L452 HydrophobicContact CD1-CB 3.77Å
372	E	89.7	Confident	91.4	Very high	56 Å²	56	63.5 Å²	63.5	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-38.6	175.8	-66.2	-51.3	134.9	0	0	112.2	M338 Y343 T368 A369 K374 K375 S376	M338-E372 HydrophobicContact CE-CB 3.68Å; M338-E372 HydrophobicContact CE-CG 4.03Å; Y343-E372 HydrophobicContact CD1-CB 3.88Å; Y343-E372 HydrophobicContact CE1-CB 3.8Å; T368-E372 PolarHBondContact O-N 3.5Å; A369-E372 PolarHBondContact O-N 3.19Å; E372-K374 VanDerWaalsContact C-N 3.33Å; E372-K374 PolarHBondContact O-N 3.05Å; E372-K375 WeakPolarHBondContact O-CB 3.47Å; E372-K375 PolarHBondContact O-N 3.42Å; E372-K375 IonicContact OE1-NZ 3.9Å; E372-K375 PolarHBondContact OE1-NZ 3.14Å; E372-K375 WeakPolarHBondContact OE2-CD 3.19Å; E372-K375 IonicContact OE2-NZ 2.86Å; E372-S376 PolarHBondContact O-N 2.82Å
373	L	92.1	Very high	91.2	Very high	27 Å²	27	70.6 Å²	70.6	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-40.2	171.6	179.5	60.3	0	0	0	112.4	E344 V347 A369 Q370 L371 S376 K377	E344-L373 VanDerWaalsContact CD-CD1 3.43Å; E344-L373 HydrophobicContact CG-CD1 3.86Å; E344-L373 HydrophobicContact CG-CD2 4.48Å; E344-L373 WeakPolarHBondContact OE1-CD1 3.33Å; V347-L373 HydrophobicContact CB-CD2 4.4Å; V347-L373 HydrophobicContact CG2-CB 4.17Å; V347-L373 HydrophobicContact CG2-CD2 3.99Å; A369-L373 WeakPolarHBondContact O-CB 3.36Å; A369-L373 PolarHBondContact O-N 3.4Å; Q370-L373 PolarHBondContact O-N 3.38Å; L371-L373 VanDerWaalsContact C-N 3.35Å; L371-L373 PolarHBondContact O-N 3.43Å; L373-S376 PolarHBondContact O-OG 3.34Å; L373-K377 HydrophobicContact CD1-CD 4.14Å; L373-K377 HydrophobicContact CG-CD 4.41Å; L373-K377 WeakPolarHBondContact O-CG 3.38Å; L373-K377 PolarHBondContact O-N 3.04Å
374	K	89.1	Confident	90.9	Very high	82 Å²	82	66.2 Å²	66.2	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-40.6	174.3	-75.7	175.4	177.7	-177.8	0	111	Q370 L371 E372 K377 R378 L452 D455	Q370-K374 WeakPolarHBondContact O-CG 3.38Å; Q370-K374 PolarHBondContact O-N 3.19Å; L371-K374 WeakPolarHBondContact O-CB 3.29Å; L371-K374 PolarHBondContact O-N 2.88Å; E372-K374 VanDerWaalsContact C-N 3.33Å; E372-K374 PolarHBondContact O-N 3.05Å; K374-K377 PolarHBondContact O-N 3.44Å; K374-R378 PolarHBondContact O-N 3.3Å; K374-R378 VanDerWaalsContact O-N 3.09Å; K374-L452 HydrophobicContact CB-CD2 4.48Å; K374-D455 IonicContact NZ-OD1 3.02Å; K374-D455 PolarHBondContact NZ-OD1 3.43Å; K374-D455 IonicContact NZ-OD2 3.49Å
375	K	85.6	Confident	90.7	Very high	92 Å²	92	60.4 Å²	60.4	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.9	-72.9	171.5	-178	172.3	0	112.1	L371 E372 K377 R378 L452	L371-K375 WeakPolarHBondContact O-CG 3.09Å; L371-K375 PolarHBondContact O-N 3.29Å; E372-K375 WeakPolarHBondContact O-CB 3.47Å; E372-K375 PolarHBondContact O-N 3.42Å; E372-K375 IonicContact OE1-NZ 3.9Å; E372-K375 PolarHBondContact OE1-NZ 3.14Å; E372-K375 WeakPolarHBondContact OE2-CD 3.19Å; E372-K375 IonicContact OE2-NZ 2.86Å; K375-K377 VanDerWaalsContact C-N 3.29Å; K375-K377 PolarHBondContact O-N 3.1Å; K375-R378 WeakPolarHBondContact O-CB 3.49Å; K375-R378 PolarHBondContact O-N 2.96Å; K375-R378 VanDerWaalsContact O-N 3.1Å; K375-L452 HydrophobicContact CB-CD1 4.28Å; K375-L452 HydrophobicContact CG-CD1 3.4Å; K375-L452 VanDerWaalsContact CG-CD1 3.4Å
376	S	87.6	Confident	90.4	Very high	61 Å²	61	60.4 Å²	60.4	43%	0.427	30%	0.296	S	S	.	.	H	α-helix	trans	-67.8	-30.4	-180	70.3	0	0	0	0	112.8	Y343 E372 L373 R378	Y343-S376 VanDerWaalsContact CD2-CB 3.45Å; Y343-S376 WeakPolarHBondContact CD2-OG 3.41Å; E372-S376 PolarHBondContact O-N 2.82Å; L373-S376 PolarHBondContact O-OG 3.34Å; S376-R378 VanDerWaalsContact C-N 3.32Å
377	K	87.1	Confident	90.2	Very high	123 Å²	123	61.1 Å²	61.1	54%	0.535	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.4	173.3	-69.3	178.5	176.3	171.3	0	114	E344 L373 K374 K375 K379	E344-K377 WeakPolarHBondContact OE1-CE 3.44Å; E344-K377 IonicContact OE1-NZ 2.65Å; E344-K377 PolarHBondContact OE1-NZ 3.39Å; L373-K377 HydrophobicContact CD1-CD 4.14Å; L373-K377 HydrophobicContact CG-CD 4.41Å; L373-K377 WeakPolarHBondContact O-CG 3.38Å; L373-K377 PolarHBondContact O-N 3.04Å; K374-K377 PolarHBondContact O-N 3.44Å; K375-K377 VanDerWaalsContact C-N 3.29Å; K375-K377 PolarHBondContact O-N 3.1Å; K377-K379 PolarHBondContact O-N 3.19Å
378	R	86.4	Confident	90.1	Very high	74 Å²	74	60 Å²	60	28%	0.279	30%	0.301	S	S	.	.			trans	-66.1	124.7	-175.2	-166.8	-172.5	-162.3	-164.5	-5.7	109.7	K374 K375 S376 Y446 D451 L452	K374-R378 PolarHBondContact O-N 3.3Å; K374-R378 VanDerWaalsContact O-N 3.09Å; K375-R378 WeakPolarHBondContact O-CB 3.49Å; K375-R378 PolarHBondContact O-N 2.96Å; K375-R378 VanDerWaalsContact O-N 3.1Å; S376-R378 VanDerWaalsContact C-N 3.32Å; R378-Y446 HydrophobicContact CG-CE2 4.46Å; R378-Y446 VanDerWaalsContact CZ-O 3.31Å; R378-Y446 PolarHBondContact NH1-O 3.3Å; R378-Y446 VanDerWaalsContact NH1-O 3.12Å; R378-Y446 VanDerWaalsContact NH2-C 3.27Å; R378-Y446 PolarHBondContact NH2-O 2.71Å; R378-D451 IonicContact CZ-OD1 3.61Å; R378-D451 IonicContact CZ-OD2 2.72Å; R378-D451 IonicContact NE-OD1 3.49Å; R378-D451 IonicContact NE-OD2 2.68Å; R378-D451 PolarHBondContact NE-OD2 3.31Å; R378-D451 IonicContact NH2-OD1 2.6Å; R378-D451 PolarHBondContact NH2-OD1 3.24Å; R378-D451 IonicContact NH2-OD2 3.85Å; R378-D451 PolarHBondContact NH2-OD2 2.99Å; R378-L452 HydrophobicContact CG-CD2 4.48Å
379	K	86.9	Confident	89.8	Confident	78 Å²	78	62.7 Å²	62.7	34%	0.339	31%	0.308	S	S	.	.			trans	-65.1	136.3	174.2	-64.9	-179.1	-172.4	177	0	110	K377 Y381 I384 E432 Y446	K377-K379 PolarHBondContact O-N 3.19Å; K379-Y381 HydrophobicContact CB-CD1 4.14Å; K379-Y381 HydrophobicContact CB-CE1 3.87Å; K379-Y381 HydrophobicContact CD-CE1 4.11Å; K379-Y381 PolarHBondContact O-N 3.12Å; K379-I384 HydrophobicContact CB-CD1 3.85Å; K379-I384 HydrophobicContact CD-CD1 4.21Å; K379-I384 HydrophobicContact CG-CD1 4.41Å; K379-E432 IonicContact NZ-OE1 2.95Å; K379-E432 IonicContact NZ-OE2 2.73Å; K379-E432 PolarHBondContact NZ-OE2 3.1Å; K379-Y446 PolarHBondContact O-OH 2.93Å
380	D	88.2	Confident	89.5	Confident	80 Å²	80	69.5 Å²	69.5	43%	0.428	34%	0.344	S	S	.	.			trans	-85	95	168.4	-176.4	-16.5	0	0	0	109.3	Y382 K383 I384 Y446	D380-Y382 VanDerWaalsContact C-N 3.26Å; D380-Y382 PolarHBondContact O-N 3.44Å; D380-Y382 WeakPolarHBondContact OD1-CB 3.48Å; D380-Y382 PolarHBondContact OD1-N 3.5Å; D380-Y382 VanDerWaalsContact OD1-N 3.09Å; D380-K383 HydrophobicContact CB-CB 3.88Å; D380-K383 VanDerWaalsContact CG-CB 3.44Å; D380-K383 PolarHBondContact O-N 3Å; D380-K383 PolarHBondContact OD1-N 3.4Å; D380-K383 WeakPolarHBondContact OD2-CB 3.37Å; D380-I384 VanDerWaalsContact O-CG1 3.29Å; D380-I384 WeakPolarHBondContact O-CG1 3.42Å; D380-I384 PolarHBondContact O-N 3.15Å; D380-Y446 WeakPolarHBondContact CA-OH 3.49Å
381	Y	90.5	Very high	89.3	Confident	22 Å²	22	66.2 Å²	66.2	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-29.4	-177.5	-66.6	-42.3	0	0	0	112.5	K379 I384 L385 E432 A433 V436 Y446	K379-Y381 HydrophobicContact CB-CD1 4.14Å; K379-Y381 HydrophobicContact CB-CE1 3.87Å; K379-Y381 HydrophobicContact CD-CE1 4.11Å; K379-Y381 PolarHBondContact O-N 3.12Å; Y381-I384 HydrophobicContact CD1-CD1 3.99Å; Y381-I384 PolarHBondContact O-N 3.41Å; Y381-L385 PolarHBondContact O-N 3.13Å; Y381-E432 HydrophobicContact CE1-CG 4.04Å; Y381-E432 PolarHBondContact OH-OE1 3.32Å; Y381-A433 HydrophobicContact CD1-CB 3.62Å; Y381-A433 HydrophobicContact CG-CB 3.97Å; Y381-V436 HydrophobicContact CD2-CB 3.95Å; Y381-V436 HydrophobicContact CD2-CG1 3.82Å; Y381-V436 HydrophobicContact CD2-CG2 4.28Å; Y381-V436 HydrophobicContact CE2-CB 3.94Å; Y381-V436 HydrophobicContact CE2-CG1 3.88Å; Y381-V436 HydrophobicContact CE2-CG2 3.76Å; Y381-Y446 HydrophobicContact CD2-CD1 4.4Å; Y381-Y446 AromaticContact CD2-CD2 3.5Å; Y381-Y446 HydrophobicContact CD2-CD2 3.5Å; Y381-Y446 VanDerWaalsContact CD2-CD2 3.5Å; Y381-Y446 HydrophobicContact CD2-CE1 4.09Å; Y381-Y446 AromaticContact CD2-CE2 3.15Å; Y381-Y446 HydrophobicContact CD2-CE2 3.15Å; Y381-Y446 HydrophobicContact CD2-CG 4.13Å; Y381-Y446 AromaticContact CD2-CZ 3.48Å; Y381-Y446 VanDerWaalsContact CD2-CZ 3.48Å; Y381-Y446 AromaticContact CE2-CD2 3.61Å; Y381-Y446 HydrophobicContact CE2-CD2 3.61Å; Y381-Y446 AromaticContact CE2-CE2 3.43Å; Y381-Y446 HydrophobicContact CE2-CE2 3.43Å; Y381-Y446 VanDerWaalsContact CE2-CE2 3.43Å; Y381-Y446 HydrophobicContact CG-CE2 4.08Å; Y381-Y446 PolarHBondContact N-OH 2.9Å
382	Y	90.7	Very high	89.4	Confident	13 Å²	13	68 Å²	68	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-43.6	175.8	-66.8	-78.2	0	0	0	110.5	D380 L385 G386 V387 D388 K389 L437 K443 Y446 D447	D380-Y382 VanDerWaalsContact C-N 3.26Å; D380-Y382 PolarHBondContact O-N 3.44Å; D380-Y382 WeakPolarHBondContact OD1-CB 3.48Å; D380-Y382 PolarHBondContact OD1-N 3.5Å; D380-Y382 VanDerWaalsContact OD1-N 3.09Å; Y382-L385 CarbonylContact O-C 3.53Å; Y382-L385 PolarHBondContact O-N 3.26Å; Y382-G386 WeakPolarHBondContact O-CA 3.41Å; Y382-G386 PolarHBondContact O-N 3.15Å; Y382-V387 HydrophobicContact CD1-CG2 4.09Å; Y382-V387 PolarHBondContact O-N 3.16Å; Y382-D388 WeakPolarHBondContact CD1-O 3.34Å; Y382-K389 HydrophobicContact CD2-CG 4.33Å; Y382-K389 HydrophobicContact CE1-CG 4.41Å; Y382-K389 HydrophobicContact CE2-CG 3.89Å; Y382-L437 HydrophobicContact CD1-CD1 3.86Å; Y382-L437 HydrophobicContact CD1-CD2 4.33Å; Y382-L437 HydrophobicContact CD2-CD2 4.36Å; Y382-L437 HydrophobicContact CE1-CD1 4.03Å; Y382-L437 HydrophobicContact CE1-CD2 3.74Å; Y382-L437 HydrophobicContact CE1-CG 4.48Å; Y382-L437 HydrophobicContact CE2-CD2 3.8Å; Y382-L437 HydrophobicContact CG-CD1 4.16Å; Y382-L437 VanDerWaalsContact CZ-CD2 3.45Å; Y382-K443 WeakPolarHBondContact OH-CE 3.48Å; Y382-Y446 AromaticContact CD2-CE1 3.91Å; Y382-Y446 HydrophobicContact CD2-CE1 3.91Å; Y382-Y446 AromaticContact CE2-CD1 3.99Å; Y382-Y446 HydrophobicContact CE2-CD1 3.99Å; Y382-Y446 AromaticContact CE2-CE1 3.64Å; Y382-Y446 HydrophobicContact CE2-CE1 3.64Å; Y382-D447 VanDerWaalsContact CE2-OD1 3.29Å; Y382-D447 WeakPolarHBondContact CE2-OD1 3.35Å; Y382-D447 VanDerWaalsContact OH-CG 3.22Å; Y382-D447 PolarHBondContact OH-OD1 3.26Å; Y382-D447 PolarHBondContact OH-OD2 3.11Å; Y382-D447 VanDerWaalsContact OH-OD2 3.05Å
383	K	91.7	Very high	89.3	Confident	162 Å²	162	70.4 Å²	70.4	70%	0.704	35%	0.354	S	S	*	.	H	α-helix	trans	-65.1	-40.4	173.9	-168.9	174.5	-176.8	177.9	0	112.5	D380 L385 G386 R403	D380-K383 HydrophobicContact CB-CB 3.88Å; D380-K383 VanDerWaalsContact CG-CB 3.44Å; D380-K383 PolarHBondContact O-N 3Å; D380-K383 PolarHBondContact OD1-N 3.4Å; D380-K383 WeakPolarHBondContact OD2-CB 3.37Å; K383-L385 VanDerWaalsContact C-N 3.29Å; K383-L385 PolarHBondContact O-N 3.16Å; K383-G386 PolarHBondContact O-N 2.87Å; K383-G386 VanDerWaalsContact O-N 3.1Å; K383-R403 PolarHBondContact O-NH1 3.39Å; K383-R403 VanDerWaalsContact O-NH1 3.1Å
384	I	90.8	Very high	89.1	Confident	33 Å²	33	74.6 Å²	74.6	17%	0.169	37%	0.373	C	S	.	.	H	α-helix	trans	-61.8	-34.4	176	-70.4	164.5	0	0	0	112.2	K379 D380 Y381 R403 E429 V430 A433	K379-I384 HydrophobicContact CB-CD1 3.85Å; K379-I384 HydrophobicContact CD-CD1 4.21Å; K379-I384 HydrophobicContact CG-CD1 4.41Å; D380-I384 VanDerWaalsContact O-CG1 3.29Å; D380-I384 WeakPolarHBondContact O-CG1 3.42Å; D380-I384 PolarHBondContact O-N 3.15Å; Y381-I384 HydrophobicContact CD1-CD1 3.99Å; Y381-I384 PolarHBondContact O-N 3.41Å; I384-R403 PolarHBondContact O-NH1 3.07Å; I384-E429 HydrophobicContact CG2-CB 4.24Å; I384-V430 HydrophobicContact CG2-CG2 4.05Å; I384-A433 HydrophobicContact CB-CB 4.16Å; I384-A433 HydrophobicContact CG2-CB 3.81Å
385	L	90.7	Very high	89.2	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-87.6	-19.6	172.4	-68.2	-175.5	0	0	0	113.3	Y381 Y382 K383 V387 I396 A399 R403 V430 A433 L437	Y381-L385 PolarHBondContact O-N 3.13Å; Y382-L385 CarbonylContact O-C 3.53Å; Y382-L385 PolarHBondContact O-N 3.26Å; K383-L385 VanDerWaalsContact C-N 3.29Å; K383-L385 PolarHBondContact O-N 3.16Å; L385-V387 HydrophobicContact CB-CG2 3.92Å; L385-I396 HydrophobicContact CD1-CG2 3.88Å; L385-A399 HydrophobicContact CB-CB 4.44Å; L385-R403 PolarHBondContact O-NH1 2.9Å; L385-V430 HydrophobicContact CD2-CG1 3.94Å; L385-A433 HydrophobicContact CD1-CB 4.25Å; L385-A433 HydrophobicContact CD2-CB 4.11Å; L385-A433 HydrophobicContact CG-CB 3.79Å; L385-L437 HydrophobicContact CD1-CD1 3.84Å
386	G	90.4	Very high	89.5	Confident	46 Å²	46	71.1 Å²	71.1	47%	0.474	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	35.3	-179.9	0	0	0	0	0	112.6	Y382 K383 R403	Y382-G386 WeakPolarHBondContact O-CA 3.41Å; Y382-G386 PolarHBondContact O-N 3.15Å; K383-G386 PolarHBondContact O-N 2.87Å; K383-G386 VanDerWaalsContact O-N 3.1Å; G386-R403 VanDerWaalsContact CA-NH2 3.32Å
387	V	92.6	Very high	89.7	Confident	28 Å²	28	70.5 Å²	70.5	17%	0.17	35%	0.349	C	S	.	.			trans	-120.8	155.7	-179.4	-65.7	0	0	0	0	109.8	Y382 L385 A391 I396 A399	Y382-V387 HydrophobicContact CD1-CG2 4.09Å; Y382-V387 PolarHBondContact O-N 3.16Å; L385-V387 HydrophobicContact CB-CG2 3.92Å; V387-A391 HydrophobicContact CB-CB 3.78Å; V387-A391 HydrophobicContact CG2-CB 4.16Å; V387-I396 HydrophobicContact CG2-CG1 4.35Å; V387-A399 HydrophobicContact CG1-CB 3.26Å
388	D	91.1	Very high	89.9	Confident	106 Å²	106	71.9 Å²	71.9	57%	0.567	36%	0.355	S	S	*	.			trans	-71.1	157	173.8	-170.5	-94.1	0	0	0	111.1	Y382 N390 A391	Y382-D388 WeakPolarHBondContact CD1-O 3.34Å; D388-N390 PolarHBondContact O-N 2.98Å; D388-N390 WeakPolarHBondContact OD1-CB 3.47Å; D388-N390 PolarHBondContact OD1-N 2.91Å; D388-N390 PolarHBondContact OD1-ND2 3.16Å; D388-A391 WeakPolarHBondContact O-CB 3.47Å; D388-A391 PolarHBondContact O-N 2.95Å
389	K	87.6	Confident	90.2	Very high	114 Å²	114	69 Å²	69	50%	0.496	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.7	176.3	-169.5	171.7	-178	177.7	0	112.4	Y382 A391	Y382-K389 HydrophobicContact CD2-CG 4.33Å; Y382-K389 HydrophobicContact CE1-CG 4.41Å; Y382-K389 HydrophobicContact CE2-CG 3.89Å; K389-A391 VanDerWaalsContact C-N 3.28Å; K389-A391 PolarHBondContact O-N 3.41Å
390	N	88.6	Confident	90.5	Very high	144 Å²	144	65.4 Å²	65.4	77%	0.77	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	7.9	177.6	-59.6	-42.6	0	0	0	113.6	D388 T392	D388-N390 PolarHBondContact O-N 2.98Å; D388-N390 WeakPolarHBondContact OD1-CB 3.47Å; D388-N390 PolarHBondContact OD1-N 2.91Å; D388-N390 PolarHBondContact OD1-ND2 3.16Å; N390-T392 PolarHBondContact O-N 3.47Å
391	A	89.2	Confident	90.6	Very high	6 Å²	6	65.7 Å²	65.7	5%	0.05	33%	0.327	C	S	.	.			trans	-58.8	136.1	-178.9	0	0	0	0	0	112.1	V387 D388 K389 E395 I396 K443	V387-A391 HydrophobicContact CB-CB 3.78Å; V387-A391 HydrophobicContact CG2-CB 4.16Å; D388-A391 WeakPolarHBondContact O-CB 3.47Å; D388-A391 PolarHBondContact O-N 2.95Å; K389-A391 VanDerWaalsContact C-N 3.28Å; K389-A391 PolarHBondContact O-N 3.41Å; A391-E395 WeakPolarHBondContact CA-OE2 3.42Å; A391-E395 HydrophobicContact CB-CB 4.16Å; A391-I396 HydrophobicContact CB-CG1 4.07Å; A391-K443 PolarHBondContact O-NZ 2.79Å
392	T	90.3	Very high	90.8	Very high	78 Å²	78	72.6 Å²	72.6	48%	0.479	36%	0.357	S	S	.	.			trans	-68.8	160.3	174.4	60.7	0	0	0	0	110.9	N390 E394 E395 I396	N390-T392 PolarHBondContact O-N 3.47Å; T392-E394 PolarHBondContact O-N 3.29Å; T392-E395 PolarHBondContact N-OE2 2.94Å; T392-E395 PolarHBondContact O-N 3.5Å; T392-E395 VanDerWaalsContact O-N 3.11Å; T392-E395 VanDerWaalsContact OG1-CD 3.25Å; T392-E395 VanDerWaalsContact OG1-CG 3.26Å; T392-E395 WeakPolarHBondContact OG1-CG 3.48Å; T392-E395 PolarHBondContact OG1-N 2.94Å; T392-E395 PolarHBondContact OG1-OE2 2.89Å; T392-I396 WeakPolarHBondContact O-CG1 3.18Å; T392-I396 PolarHBondContact O-N 3.28Å
393	E	88.4	Confident	90.8	Very high	107 Å²	107	75.7 Å²	75.7	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-58.2	-36.4	179.4	-160.3	-170.1	139.8	0	0	112.3	I396 K397	E393-I396 PolarHBondContact O-N 3.34Å; E393-K397 WeakPolarHBondContact O-CG 3.41Å; E393-K397 PolarHBondContact O-N 3.06Å; E393-K397 WeakPolarHBondContact OE1-CE 3.34Å; E393-K397 IonicContact OE1-NZ 3.75Å; E393-K397 PolarHBondContact OE1-NZ 3.28Å
394	E	88.4	Confident	90.8	Very high	114 Å²	114	68 Å²	68	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-37.8	176.3	-73.7	-56.3	132.8	0	0	112.9	T392 K397 K398	T392-E394 PolarHBondContact O-N 3.29Å; E394-K397 PolarHBondContact O-N 3.31Å; E394-K397 IonicContact OE1-NZ 2.84Å; E394-K398 VanDerWaalsContact O-CB 3.29Å; E394-K398 WeakPolarHBondContact O-CB 3.34Å; E394-K398 PolarHBondContact O-N 3.02Å
395	E	91	Very high	90.8	Very high	101 Å²	101	69.2 Å²	69.2	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-40.8	174.9	-72.6	166	145.1	0	0	111.5	A391 T392 K398 A399	A391-E395 WeakPolarHBondContact CA-OE2 3.42Å; A391-E395 HydrophobicContact CB-CB 4.16Å; T392-E395 PolarHBondContact N-OE2 2.94Å; T392-E395 PolarHBondContact O-N 3.5Å; T392-E395 VanDerWaalsContact O-N 3.11Å; T392-E395 VanDerWaalsContact OG1-CD 3.25Å; T392-E395 VanDerWaalsContact OG1-CG 3.26Å; T392-E395 WeakPolarHBondContact OG1-CG 3.48Å; T392-E395 PolarHBondContact OG1-N 2.94Å; T392-E395 PolarHBondContact OG1-OE2 2.89Å; E395-K398 PolarHBondContact O-N 3.46Å; E395-A399 VanDerWaalsContact O-CB 3.26Å; E395-A399 WeakPolarHBondContact O-CB 3.35Å; E395-A399 PolarHBondContact O-N 3.02Å
396	I	91.3	Very high	90.8	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-46.7	174.5	-67.5	165.3	0	0	0	110.3	L385 V387 A391 T392 E393 A399 Y400 F434 L437	L385-I396 HydrophobicContact CD1-CG2 3.88Å; V387-I396 HydrophobicContact CG2-CG1 4.35Å; A391-I396 HydrophobicContact CB-CG1 4.07Å; T392-I396 WeakPolarHBondContact O-CG1 3.18Å; T392-I396 PolarHBondContact O-N 3.28Å; E393-I396 PolarHBondContact O-N 3.34Å; I396-A399 PolarHBondContact O-N 2.92Å; I396-Y400 WeakPolarHBondContact O-CB 3.49Å; I396-Y400 PolarHBondContact O-N 3.16Å; I396-F434 HydrophobicContact CG2-CD2 3.93Å; I396-F434 HydrophobicContact CG2-CE2 4.21Å; I396-L437 HydrophobicContact CD1-CB 4.28Å; I396-L437 HydrophobicContact CG2-CB 4.07Å
397	K	91.7	Very high	90.8	Very high	48 Å²	48	71.4 Å²	71.4	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-43.3	175.1	-74.4	172.4	-172.1	163.4	0	112.3	E393 E394 R401 F434 F471	E393-K397 WeakPolarHBondContact O-CG 3.41Å; E393-K397 PolarHBondContact O-N 3.06Å; E393-K397 WeakPolarHBondContact OE1-CE 3.34Å; E393-K397 IonicContact OE1-NZ 3.75Å; E393-K397 PolarHBondContact OE1-NZ 3.28Å; E394-K397 PolarHBondContact O-N 3.31Å; E394-K397 IonicContact OE1-NZ 2.84Å; K397-R401 WeakPolarHBondContact O-CG 3.18Å; K397-R401 PolarHBondContact O-N 2.86Å; K397-F434 HydrophobicContact CB-CE2 4.36Å; K397-F434 HydrophobicContact CG-CE2 3.78Å; K397-F434 HydrophobicContact CG-CZ 4.02Å; K397-F471 HydrophobicContact CB-CZ 4.25Å; K397-F471 HydrophobicContact CG-CE2 4.26Å; K397-F471 HydrophobicContact CG-CZ 4.41Å
398	K	92.3	Very high	90.8	Very high	151 Å²	151	70.6 Å²	70.6	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-65.2	-42.1	178.5	-172.3	178.3	-178.9	179.2	0	111.7	E394 E395 R401 K402	E394-K398 VanDerWaalsContact O-CB 3.29Å; E394-K398 WeakPolarHBondContact O-CB 3.34Å; E394-K398 PolarHBondContact O-N 3.02Å; E395-K398 PolarHBondContact O-N 3.46Å; K398-R401 PolarHBondContact O-N 3.16Å; K398-K402 PolarHBondContact O-N 3.47Å; K398-K402 VanDerWaalsContact O-N 3.16Å
399	A	91.7	Very high	90.6	Very high	15 Å²	15	67.7 Å²	67.7	12%	0.124	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-44	177.1	0	0	0	0	0	112.1	L385 V387 E395 I396 K402 R403	L385-A399 HydrophobicContact CB-CB 4.44Å; V387-A399 HydrophobicContact CG1-CB 3.26Å; E395-A399 VanDerWaalsContact O-CB 3.26Å; E395-A399 WeakPolarHBondContact O-CB 3.35Å; E395-A399 PolarHBondContact O-N 3.02Å; I396-A399 PolarHBondContact O-N 2.92Å; A399-K402 PolarHBondContact O-N 3.38Å; A399-R403 WeakPolarHBondContact O-CB 3.4Å; A399-R403 WeakPolarHBondContact O-CG 3.3Å; A399-R403 PolarHBondContact O-N 3.06Å
400	Y	93.9	Very high	90.5	Very high	2 Å²	2	66 Å²	66	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-56.2	-50.9	172.4	171.1	-110.3	0	0	0	111.5	I396 K402 R403 A404 V430 F434 F471 F472	I396-Y400 WeakPolarHBondContact O-CB 3.49Å; I396-Y400 PolarHBondContact O-N 3.16Å; Y400-K402 VanDerWaalsContact C-N 3.29Å; Y400-K402 PolarHBondContact O-N 3.46Å; Y400-R403 PolarHBondContact O-N 3.02Å; Y400-A404 HydrophobicContact CD2-CB 4.24Å; Y400-A404 HydrophobicContact CE2-CB 3.89Å; Y400-A404 WeakPolarHBondContact O-CB 3.3Å; Y400-A404 PolarHBondContact O-N 3.33Å; Y400-V430 HydrophobicContact CD2-CG1 3.66Å; Y400-V430 HydrophobicContact CE2-CG1 4.01Å; Y400-F434 HydrophobicContact CD1-CB 4.47Å; Y400-F434 AromaticContact CD1-CD1 3.8Å; Y400-F434 HydrophobicContact CD1-CD1 3.8Å; Y400-F434 AromaticContact CD1-CD2 3.98Å; Y400-F434 HydrophobicContact CD1-CD2 3.98Å; Y400-F434 AromaticContact CD1-CE1 3.98Å; Y400-F434 HydrophobicContact CD1-CE1 3.98Å; Y400-F434 HydrophobicContact CD1-CE2 4.15Å; Y400-F434 AromaticContact CD1-CG 3.8Å; Y400-F434 HydrophobicContact CD1-CG 3.8Å; Y400-F434 HydrophobicContact CD1-CZ 4.16Å; Y400-F434 HydrophobicContact CD2-CB 3.36Å; Y400-F434 HydrophobicContact CD2-CD1 4.08Å; Y400-F434 HydrophobicContact CD2-CD2 4.19Å; Y400-F434 AromaticContact CD2-CG 3.61Å; Y400-F434 HydrophobicContact CD2-CG 3.61Å; Y400-F434 AromaticContact CE1-CD1 3.92Å; Y400-F434 HydrophobicContact CE1-CD1 3.92Å; Y400-F434 HydrophobicContact CE1-CE1 4.12Å; Y400-F434 HydrophobicContact CE1-CG 4.31Å; Y400-F434 HydrophobicContact CE2-CB 3.9Å; Y400-F434 HydrophobicContact CE2-CD1 4.2Å; Y400-F434 HydrophobicContact CE2-CG 4.15Å; Y400-F434 HydrophobicContact CG-CB 3.7Å; Y400-F434 AromaticContact CG-CD1 3.88Å; Y400-F434 HydrophobicContact CG-CD1 3.88Å; Y400-F434 AromaticContact CG-CD2 3.58Å; Y400-F434 HydrophobicContact CG-CD2 3.58Å; Y400-F434 HydrophobicContact CG-CE1 4.44Å; Y400-F434 HydrophobicContact CG-CE2 4.18Å; Y400-F434 AromaticContact CG-CG 3.41Å; Y400-F434 HydrophobicContact CG-CG 3.41Å; Y400-F434 VanDerWaalsContact CG-CG 3.41Å; Y400-F471 HydrophobicContact CD1-CD1 4.43Å; Y400-F471 HydrophobicContact CD1-CD2 4.38Å; Y400-F471 HydrophobicContact CD1-CE1 4.48Å; Y400-F471 HydrophobicContact CD1-CE2 4.39Å; Y400-F471 HydrophobicContact CD1-CG 4.39Å; Y400-F471 HydrophobicContact CD1-CZ 4.43Å; Y400-F471 HydrophobicContact CE1-CB 4.26Å; Y400-F471 HydrophobicContact CE1-CD1 4.17Å; Y400-F471 HydrophobicContact CE1-CD2 4.19Å; Y400-F471 AromaticContact CE1-CG 3.93Å; Y400-F471 HydrophobicContact CE1-CG 3.93Å; Y400-F472 HydrophobicContact CE1-CE2 4.48Å
401	R	90.8	Very high	90.4	Very high	86 Å²	86	65.9 Å²	65.9	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-51.6	-49.3	177.1	-80.2	-174.9	-78.6	-107.4	1	112.3	K397 K398 L405 F471 F472	K397-R401 WeakPolarHBondContact O-CG 3.18Å; K397-R401 PolarHBondContact O-N 2.86Å; K398-R401 PolarHBondContact O-N 3.16Å; R401-L405 WeakPolarHBondContact O-CB 3.16Å; R401-L405 WeakPolarHBondContact O-CG 3.41Å; R401-L405 PolarHBondContact O-N 3.27Å; R401-F471 HydrophobicContact CG-CD1 4.15Å; R401-F471 HydrophobicContact CG-CE1 3.26Å; R401-F471 HydrophobicContact CG-CZ 3.89Å; R401-F472 HydrophobicContact CB-CZ 4.03Å; R401-F472 HydrophobicContact CG-CE1 4.27Å; R401-F472 HydrophobicContact CG-CE2 4.44Å; R401-F472 HydrophobicContact CG-CZ 3.75Å
402	K	93	Very high	90.3	Very high	166 Å²	166	67.3 Å²	67.3	72%	0.722	31%	0.313	S	S	*	.	H	α-helix	trans	-64.7	-46.1	-177.9	-174.5	179.6	179	-178.7	0	111.8	K398 A399 Y400 L406	K398-K402 PolarHBondContact O-N 3.47Å; K398-K402 VanDerWaalsContact O-N 3.16Å; A399-K402 PolarHBondContact O-N 3.38Å; Y400-K402 VanDerWaalsContact C-N 3.29Å; Y400-K402 PolarHBondContact O-N 3.46Å; K402-L406 WeakPolarHBondContact O-CB 3.3Å; K402-L406 PolarHBondContact O-N 3.15Å
403	R	91.6	Very high	90	Very high	78 Å²	78	67.5 Å²	67.5	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-72.6	-40.3	-177.6	-69.5	-101.3	169	116.4	-0.6	111.9	K383 I384 L385 G386 A399 Y400 L406 H407 V430	K383-R403 PolarHBondContact O-NH1 3.39Å; K383-R403 VanDerWaalsContact O-NH1 3.1Å; I384-R403 PolarHBondContact O-NH1 3.07Å; L385-R403 PolarHBondContact O-NH1 2.9Å; G386-R403 VanDerWaalsContact CA-NH2 3.32Å; A399-R403 WeakPolarHBondContact O-CB 3.4Å; A399-R403 WeakPolarHBondContact O-CG 3.3Å; A399-R403 PolarHBondContact O-N 3.06Å; Y400-R403 PolarHBondContact O-N 3.02Å; R403-L406 WeakPolarHBondContact O-CB 3.38Å; R403-L406 PolarHBondContact O-N 3.37Å; R403-L406 VanDerWaalsContact O-N 3.15Å; R403-H407 PolarHBondContact O-CD2 3.34Å; R403-H407 PolarHBondContact O-N 3.29Å; R403-V430 HydrophobicContact CB-CG1 3.72Å; R403-V430 HydrophobicContact CB-CG2 3.91Å
404	A	91.1	Very high	89.8	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-43.2	177.9	0	0	0	0	0	111.6	Y400 L406 H407 H408 F427 V430 F468	Y400-A404 HydrophobicContact CD2-CB 4.24Å; Y400-A404 HydrophobicContact CE2-CB 3.89Å; Y400-A404 WeakPolarHBondContact O-CB 3.3Å; Y400-A404 PolarHBondContact O-N 3.33Å; A404-L406 VanDerWaalsContact C-N 3.29Å; A404-L406 PolarHBondContact O-N 3.26Å; A404-H407 PolarHBondContact O-N 3.44Å; A404-H408 WeakPolarHBondContact O-CB 3.49Å; A404-H408 PolarHBondContact O-N 2.81Å; A404-F427 HydrophobicContact CB-CE2 4.02Å; A404-F427 WeakPolarHBondContact O-CD2 3.47Å; A404-F427 WeakPolarHBondContact O-CE2 3.44Å; A404-V430 HydrophobicContact CB-CG1 4.36Å; A404-F468 HydrophobicContact CB-CD2 3.84Å; A404-F468 HydrophobicContact CB-CE2 3.89Å
405	L	91.1	Very high	89.8	Confident	60 Å²	60	64 Å²	64	31%	0.314	32%	0.32	S	S	.	.	H	α-helix	trans	-67.9	-26.4	173.3	-73.3	169.9	0	0	0	113.7	R401 R411 F468 F472 F490	R401-L405 WeakPolarHBondContact O-CB 3.16Å; R401-L405 WeakPolarHBondContact O-CG 3.41Å; R401-L405 PolarHBondContact O-N 3.27Å; L405-R411 VanDerWaalsContact O-CD 3.31Å; L405-R411 WeakPolarHBondContact O-CD 3.44Å; L405-R411 PolarHBondContact O-NH1 3Å; L405-F468 HydrophobicContact CD2-CE2 4.36Å; L405-F468 HydrophobicContact CD2-CZ 4Å; L405-F472 HydrophobicContact CD1-CE1 4.11Å; L405-F472 HydrophobicContact CD1-CZ 4.23Å; L405-F472 HydrophobicContact CD2-CE1 4.41Å; L405-F472 HydrophobicContact CG-CE1 4.25Å; L405-F472 HydrophobicContact CG-CZ 4.06Å; L405-F490 HydrophobicContact CD2-CE2 4.34Å; L405-F490 HydrophobicContact CD2-CZ 4.38Å
406	L	90.3	Very high	89.7	Confident	71 Å²	71	62 Å²	62	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-73	-42.1	177.1	-178.5	64.3	0	0	0	111.6	K402 R403 A404 H412	K402-L406 WeakPolarHBondContact O-CB 3.3Å; K402-L406 PolarHBondContact O-N 3.15Å; R403-L406 WeakPolarHBondContact O-CB 3.38Å; R403-L406 PolarHBondContact O-N 3.37Å; R403-L406 VanDerWaalsContact O-N 3.15Å; A404-L406 VanDerWaalsContact C-N 3.29Å; A404-L406 PolarHBondContact O-N 3.26Å; L406-H412 PolarHBondContact O-NE2 3.06Å
407	H	91.3	Very high	89.5	Confident	23 Å²	23	66.7 Å²	66.7	11%	0.106	35%	0.346	C	S	.	.	H	α-helix	trans	-99.1	1.4	-174	-59.7	-57.3	0	0	0	113.5	R403 A404 E423 K426 F427	R403-H407 PolarHBondContact O-CD2 3.34Å; R403-H407 PolarHBondContact O-N 3.29Å; A404-H407 PolarHBondContact O-N 3.44Å; H407-E423 IonicContact CE1-OE2 2.58Å; H407-E423 IonicContact CG-OE2 3.52Å; H407-E423 IonicContact ND1-OE1 2.7Å; H407-E423 IonicContact ND1-OE2 3.55Å; H407-E423 PolarHBondContact ND1-OE2 3.37Å; H407-K426 HydrophobicContact CB-CB 4.16Å; H407-F427 HydrophobicContact CB-CB 4.05Å; H407-F427 HydrophobicContact CB-CD2 4.49Å; H407-F427 WeakPolarHBondContact O-CB 3.45Å
408	H	91.3	Very high	89.4	Confident	12 Å²	12	71.5 Å²	71.5	6%	0.056	37%	0.369	C	S	.	.			trans	-56.9	135	-176.9	-166	-86.5	0	0	0	111.9	A404 D410 R411 F427 F468	A404-H408 WeakPolarHBondContact O-CB 3.49Å; A404-H408 PolarHBondContact O-N 2.81Å; H408-D410 VanDerWaalsContact C-N 3.3Å; H408-D410 IonicContact CE1-OD1 3.14Å; H408-D410 IonicContact CE1-OD2 3.45Å; H408-D410 PolarHBondContact CE1-OD2 3.02Å; H408-D410 WeakPolarHBondContact ND1-CB 3.3Å; H408-D410 PolarHBondContact ND1-N 3.1Å; H408-D410 IonicContact ND1-OD1 3.94Å; H408-D410 IonicContact ND1-OD2 3.58Å; H408-D410 PolarHBondContact O-N 3.35Å; H408-R411 WeakPolarHBondContact O-CB 3.41Å; H408-R411 PolarHBondContact O-N 2.93Å; H408-F427 HydrophobicContact CB-CD2 4.45Å; H408-F427 HydrophobicContact CB-CE2 4.25Å; H408-F427 AromaticContact CD2-CE2 3.67Å; H408-F427 AromaticContact CD2-CZ 3.74Å; H408-F468 AromaticContact CD2-CD1 3.89Å; H408-F468 AromaticContact CD2-CE1 3.55Å; H408-F468 AromaticContact CD2-CE2 3.98Å; H408-F468 AromaticContact CD2-CZ 3.6Å; H408-F468 AromaticContact NE2-CD1 3.78Å; H408-F468 AromaticContact NE2-CE1 3.56Å
409	P	87.5	Confident	89.2	Confident	44 Å²	44	67 Å²	67	29%	0.286	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-52.1	-42.8	-177.6	-29.4	35.7	0	0	0	114.2	R411 H412 S413	P409-R411 PolarHBondContact O-N 3.12Å; P409-H412 CarbonylContact O-C 3.17Å; P409-H412 PolarHBondContact O-N 3.45Å; P409-S413 PolarHBondContact O-N 3.39Å; P409-S413 VanDerWaalsContact O-N 3.09Å
410	D	86.2	Confident	89	Confident	78 Å²	78	69.7 Å²	69.7	42%	0.417	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-57.8	-33.6	-179.6	-62.2	-3.4	0	0	0	113.7	H408 H412 S413 F490	H408-D410 VanDerWaalsContact C-N 3.3Å; H408-D410 IonicContact CE1-OD1 3.14Å; H408-D410 IonicContact CE1-OD2 3.45Å; H408-D410 PolarHBondContact CE1-OD2 3.02Å; H408-D410 WeakPolarHBondContact ND1-CB 3.3Å; H408-D410 PolarHBondContact ND1-N 3.1Å; H408-D410 IonicContact ND1-OD1 3.94Å; H408-D410 IonicContact ND1-OD2 3.58Å; H408-D410 PolarHBondContact O-N 3.35Å; D410-H412 PolarHBondContact O-N 3.35Å; D410-S413 WeakPolarHBondContact O-CB 3.27Å; D410-S413 PolarHBondContact O-N 2.92Å; D410-S413 PolarHBondContact O-OG 3.23Å; D410-F490 HydrophobicContact CB-CE1 4.25Å
411	R	86.6	Confident	88.8	Confident	142 Å²	142	77 Å²	77	54%	0.536	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-68.7	-25.3	180	-174.7	173.2	177.2	158.3	1.8	112.3	L405 H408 P409	L405-R411 VanDerWaalsContact O-CD 3.31Å; L405-R411 WeakPolarHBondContact O-CD 3.44Å; L405-R411 PolarHBondContact O-NH1 3Å; H408-R411 WeakPolarHBondContact O-CB 3.41Å; H408-R411 PolarHBondContact O-N 2.93Å; P409-R411 PolarHBondContact O-N 3.12Å
412	H	86.6	Confident	88.7	Confident	36 Å²	36	77.8 Å²	77.8	17%	0.167	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-113.2	12.2	-176.3	-57.4	-67.3	0	0	0	112.6	L406 P409 D410 S414 A415 Q420 E423	L406-H412 PolarHBondContact O-NE2 3.06Å; P409-H412 CarbonylContact O-C 3.17Å; P409-H412 PolarHBondContact O-N 3.45Å; D410-H412 PolarHBondContact O-N 3.35Å; H412-S414 PolarHBondContact O-N 2.93Å; H412-S414 VanDerWaalsContact O-N 3.07Å; H412-A415 HydrophobicContact CB-CB 4.29Å; H412-A415 VanDerWaalsContact O-CB 3.25Å; H412-A415 WeakPolarHBondContact O-CB 3.21Å; H412-A415 PolarHBondContact O-N 3.1Å; H412-Q420 VanDerWaalsContact O-CG 3.26Å; H412-Q420 WeakPolarHBondContact O-CG 2.96Å; H412-E423 HydrophobicContact CB-CB 4.45Å; H412-E423 IonicContact CD2-OE2 3.64Å; H412-E423 IonicContact CE1-OE2 3.64Å; H412-E423 IonicContact NE2-OE2 3.25Å; H412-E423 PolarHBondContact NE2-OE2 2.77Å; H412-E423 VanDerWaalsContact NE2-OE2 3.12Å
413	S	83.8	Confident	88.6	Confident	83 Å²	83	71 Å²	71	58%	0.58	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.1	-179.5	54.5	0	0	0	0	114.6	P409 D410 Q420	P409-S413 PolarHBondContact O-N 3.39Å; P409-S413 VanDerWaalsContact O-N 3.09Å; D410-S413 WeakPolarHBondContact O-CB 3.27Å; D410-S413 PolarHBondContact O-N 2.92Å; D410-S413 PolarHBondContact O-OG 3.23Å; S413-Q420 PolarHBondContact O-NE2 3.31Å; S413-Q420 VanDerWaalsContact O-NE2 3.1Å
414	S	84.6	Confident	88.5	Confident	116 Å²	116	71 Å²	71	81%	0.811	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-2	176.5	54.6	0	0	0	0	114.4	H412	H412-S414 PolarHBondContact O-N 2.93Å; H412-S414 VanDerWaalsContact O-N 3.07Å
415	A	87.5	Confident	88.5	Confident	32 Å²	32	77.1 Å²	77.1	26%	0.264	40%	0.404	S	S	.	.	S	Bend	trans	-76.8	171	178.6	0	0	0	0	0	112	H412 V419 Q420	H412-A415 HydrophobicContact CB-CB 4.29Å; H412-A415 VanDerWaalsContact O-CB 3.25Å; H412-A415 WeakPolarHBondContact O-CB 3.21Å; H412-A415 PolarHBondContact O-N 3.1Å; A415-V419 HydrophobicContact CB-CB 4Å; A415-V419 HydrophobicContact CB-CG1 3.76Å; A415-Q420 HydrophobicContact CB-CG 4.35Å; A415-Q420 PolarHBondContact O-NE2 3.37Å
416	S	90.3	Very high	88.5	Confident	59 Å²	59	77.1 Å²	77.1	41%	0.413	40%	0.401	S	S	.	.			trans	-62.9	156.4	173.9	68.7	0	0	0	0	111.5	E418 V419 Q420	S416-E418 PolarHBondContact O-N 3.39Å; S416-V419 PolarHBondContact O-N 3.02Å; S416-V419 VanDerWaalsContact O-N 3.09Å; S416-V419 VanDerWaalsContact OG-CG2 3.31Å; S416-V419 WeakPolarHBondContact OG-CG2 3.16Å; S416-V419 PolarHBondContact OG-N 3.46Å; S416-Q420 WeakPolarHBondContact O-CG 3.4Å; S416-Q420 PolarHBondContact O-N 2.88Å
417	T	87.3	Confident	88.6	Confident	98 Å²	98	73.9 Å²	73.9	60%	0.601	39%	0.385	S	S	*	.	H	α-helix	trans	-58.3	-32	-179.5	46.8	0	0	0	0	113.3	K421	T417-K421 WeakPolarHBondContact O-CG 3.45Å; T417-K421 PolarHBondContact O-N 2.96Å
418	E	88.3	Confident	88.5	Confident	149 Å²	149	77.6 Å²	77.6	70%	0.696	40%	0.4	S	S	*	.	H	α-helix	trans	-69.3	-44.9	175.4	-69.3	143.4	-177.4	0	0	111.6	S416 K421 E422	S416-E418 PolarHBondContact O-N 3.39Å; E418-K421 PolarHBondContact O-N 2.98Å; E418-E422 PolarHBondContact O-N 3.28Å
419	V	88.9	Confident	88.5	Confident	56 Å²	56	79.1 Å²	79.1	34%	0.339	41%	0.408	S	S	.	.	H	α-helix	trans	-67.7	-41	178.6	174.1	0	0	0	0	111	A415 S416 K421 E422 E423	A415-V419 HydrophobicContact CB-CB 4Å; A415-V419 HydrophobicContact CB-CG1 3.76Å; S416-V419 PolarHBondContact O-N 3.02Å; S416-V419 VanDerWaalsContact O-N 3.09Å; S416-V419 VanDerWaalsContact OG-CG2 3.31Å; S416-V419 WeakPolarHBondContact OG-CG2 3.16Å; S416-V419 PolarHBondContact OG-N 3.46Å; V419-K421 VanDerWaalsContact C-N 3.33Å; V419-K421 PolarHBondContact O-N 3Å; V419-E422 PolarHBondContact O-N 3.44Å; V419-E423 HydrophobicContact CG1-CG 4.13Å; V419-E423 WeakPolarHBondContact O-CB 3.48Å; V419-E423 WeakPolarHBondContact O-CG 3.46Å; V419-E423 PolarHBondContact O-N 3.35Å
420	Q	86.3	Confident	88.7	Confident	73 Å²	73	77.2 Å²	77.2	34%	0.341	40%	0.395	S	S	.	.	H	α-helix	trans	-56.6	-47	175	-72.9	179.8	17.1	0	0	111.7	H412 S413 A415 S416 E422 E423 E424	H412-Q420 VanDerWaalsContact O-CG 3.26Å; H412-Q420 WeakPolarHBondContact O-CG 2.96Å; S413-Q420 PolarHBondContact O-NE2 3.31Å; S413-Q420 VanDerWaalsContact O-NE2 3.1Å; A415-Q420 HydrophobicContact CB-CG 4.35Å; A415-Q420 PolarHBondContact O-NE2 3.37Å; S416-Q420 WeakPolarHBondContact O-CG 3.4Å; S416-Q420 PolarHBondContact O-N 2.88Å; Q420-E422 PolarHBondContact O-N 3.13Å; Q420-E423 PolarHBondContact O-N 3.44Å; Q420-E424 VanDerWaalsContact O-CB 3.3Å; Q420-E424 WeakPolarHBondContact O-CB 3.49Å; Q420-E424 PolarHBondContact O-N 2.88Å
421	K	89.5	Confident	88.9	Confident	155 Å²	155	73.5 Å²	73.5	67%	0.674	38%	0.375	S	S	*	.	H	α-helix	trans	-63.6	-39.6	177.3	-76.2	178.5	179.6	179.8	0	112.5	T417 E418 V419 K425	T417-K421 WeakPolarHBondContact O-CG 3.45Å; T417-K421 PolarHBondContact O-N 2.96Å; E418-K421 PolarHBondContact O-N 2.98Å; V419-K421 VanDerWaalsContact C-N 3.33Å; V419-K421 PolarHBondContact O-N 3Å; K421-K425 WeakPolarHBondContact O-CB 3.44Å; K421-K425 PolarHBondContact O-N 2.87Å
422	E	90	Very high	89.1	Confident	103 Å²	103	69 Å²	69	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-44.8	178.8	-165	-170.6	149.2	0	0	111.8	E418 V419 Q420 K425 K426	E418-E422 PolarHBondContact O-N 3.28Å; V419-E422 PolarHBondContact O-N 3.44Å; Q420-E422 PolarHBondContact O-N 3.13Å; E422-K425 WeakPolarHBondContact O-CB 3.35Å; E422-K425 PolarHBondContact O-N 2.98Å; E422-K426 WeakPolarHBondContact O-CG 3.45Å; E422-K426 PolarHBondContact O-N 3.12Å; E422-K426 WeakPolarHBondContact OE1-CE 3.47Å; E422-K426 IonicContact OE1-NZ 3.29Å; E422-K426 PolarHBondContact OE1-NZ 3.22Å
423	E	91	Very high	89.2	Confident	22 Å²	22	67.3 Å²	67.3	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-69.5	-38.6	179.6	-66.6	-63.8	123.8	0	0	111.6	H407 H412 V419 Q420 K425 K426 F427	H407-E423 IonicContact CE1-OE2 2.58Å; H407-E423 IonicContact CG-OE2 3.52Å; H407-E423 IonicContact ND1-OE1 2.7Å; H407-E423 IonicContact ND1-OE2 3.55Å; H407-E423 PolarHBondContact ND1-OE2 3.37Å; H412-E423 HydrophobicContact CB-CB 4.45Å; H412-E423 IonicContact CD2-OE2 3.64Å; H412-E423 IonicContact CE1-OE2 3.64Å; H412-E423 IonicContact NE2-OE2 3.25Å; H412-E423 PolarHBondContact NE2-OE2 2.77Å; H412-E423 VanDerWaalsContact NE2-OE2 3.12Å; V419-E423 HydrophobicContact CG1-CG 4.13Å; V419-E423 WeakPolarHBondContact O-CB 3.48Å; V419-E423 WeakPolarHBondContact O-CG 3.46Å; V419-E423 PolarHBondContact O-N 3.35Å; Q420-E423 PolarHBondContact O-N 3.44Å; E423-K425 VanDerWaalsContact C-N 3.3Å; E423-K425 PolarHBondContact O-N 3.28Å; E423-K426 PolarHBondContact O-N 3.22Å; E423-K426 IonicContact OE1-NZ 2.84Å; E423-K426 PolarHBondContact OE1-NZ 3.4Å; E423-F427 WeakPolarHBondContact O-CB 3.34Å; E423-F427 PolarHBondContact O-N 2.97Å
424	E	89.2	Confident	89.6	Confident	80 Å²	80	64 Å²	64	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-39.4	172.1	-167.3	-167.6	154.7	0	0	111.5	Q420 F427 K428	Q420-E424 VanDerWaalsContact O-CB 3.3Å; Q420-E424 WeakPolarHBondContact O-CB 3.49Å; Q420-E424 PolarHBondContact O-N 2.88Å; E424-F427 PolarHBondContact O-N 2.87Å; E424-K428 WeakPolarHBondContact O-CG 3.26Å; E424-K428 PolarHBondContact O-N 2.86Å; E424-K428 VanDerWaalsContact OE1-CE 3.27Å; E424-K428 WeakPolarHBondContact OE1-CE 3.17Å; E424-K428 IonicContact OE1-NZ 3.51Å; E424-K428 PolarHBondContact OE1-NZ 2.88Å
425	K	90.6	Very high	89.9	Confident	128 Å²	128	59.9 Å²	59.9	56%	0.557	30%	0.299	S	S	*	.	H	α-helix	trans	-62.4	-47.6	174.1	-175.8	-173	174.6	-170.1	0	111.2	K421 E422 E423 F427 K428 E429	K421-K425 WeakPolarHBondContact O-CB 3.44Å; K421-K425 PolarHBondContact O-N 2.87Å; E422-K425 WeakPolarHBondContact O-CB 3.35Å; E422-K425 PolarHBondContact O-N 2.98Å; E423-K425 VanDerWaalsContact C-N 3.3Å; E423-K425 PolarHBondContact O-N 3.28Å; K425-F427 VanDerWaalsContact C-N 3.31Å; K425-F427 PolarHBondContact O-N 3.09Å; K425-K428 PolarHBondContact O-N 3.23Å; K425-E429 VanDerWaalsContact CE-OE1 3.23Å; K425-E429 WeakPolarHBondContact CE-OE1 3.47Å; K425-E429 WeakPolarHBondContact O-CG 3.44Å; K425-E429 PolarHBondContact O-N 2.63Å
426	K	90.7	Very high	90	Very high	59 Å²	59	58.8 Å²	58.8	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-39.5	176.7	-70.8	174	-168.4	156.6	0	111.7	H407 E422 E423 E429 V430	H407-K426 HydrophobicContact CB-CB 4.16Å; E422-K426 WeakPolarHBondContact O-CG 3.45Å; E422-K426 PolarHBondContact O-N 3.12Å; E422-K426 WeakPolarHBondContact OE1-CE 3.47Å; E422-K426 IonicContact OE1-NZ 3.29Å; E422-K426 PolarHBondContact OE1-NZ 3.22Å; E423-K426 PolarHBondContact O-N 3.22Å; E423-K426 IonicContact OE1-NZ 2.84Å; E423-K426 PolarHBondContact OE1-NZ 3.4Å; K426-E429 PolarHBondContact O-N 3.39Å; K426-V430 WeakPolarHBondContact O-CB 3.41Å; K426-V430 VanDerWaalsContact O-CG2 3.25Å; K426-V430 WeakPolarHBondContact O-CG2 3.42Å; K426-V430 PolarHBondContact O-N 3.1Å
427	F	92.4	Very high	90	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-45.6	176.4	-175.5	-101.8	0	0	0	112	A404 H407 H408 E423 E424 K425 V430 G431 A464 N465 F468	A404-F427 HydrophobicContact CB-CE2 4.02Å; A404-F427 WeakPolarHBondContact O-CD2 3.47Å; A404-F427 WeakPolarHBondContact O-CE2 3.44Å; H407-F427 HydrophobicContact CB-CB 4.05Å; H407-F427 HydrophobicContact CB-CD2 4.49Å; H407-F427 WeakPolarHBondContact O-CB 3.45Å; H408-F427 HydrophobicContact CB-CD2 4.45Å; H408-F427 HydrophobicContact CB-CE2 4.25Å; H408-F427 AromaticContact CD2-CE2 3.67Å; H408-F427 AromaticContact CD2-CZ 3.74Å; E423-F427 WeakPolarHBondContact O-CB 3.34Å; E423-F427 PolarHBondContact O-N 2.97Å; E424-F427 PolarHBondContact O-N 2.87Å; K425-F427 VanDerWaalsContact C-N 3.31Å; K425-F427 PolarHBondContact O-N 3.09Å; F427-V430 PolarHBondContact O-N 3.18Å; F427-G431 PolarHBondContact O-N 3.41Å; F427-A464 HydrophobicContact CD1-CB 4.07Å; F427-A464 HydrophobicContact CE1-CB 3.93Å; F427-N465 WeakPolarHBondContact CE1-OD1 3.31Å; F427-F468 AromaticContact CE2-CD2 3.88Å; F427-F468 HydrophobicContact CE2-CD2 3.88Å; F427-F468 HydrophobicContact CE2-CE2 4.3Å; F427-F468 HydrophobicContact CE2-CG 4.35Å; F427-F468 HydrophobicContact CZ-CB 3.81Å; F427-F468 AromaticContact CZ-CD2 3.85Å; F427-F468 HydrophobicContact CZ-CD2 3.85Å; F427-F468 AromaticContact CZ-CG 3.86Å; F427-F468 HydrophobicContact CZ-CG 3.86Å
428	K	90.9	Very high	90	Very high	100 Å²	100	53.1 Å²	53.1	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-46.2	174.4	-71.4	174.2	-174.5	168.6	0	111.7	E424 K425 V430 G431 E432 F462 A464	E424-K428 WeakPolarHBondContact O-CG 3.26Å; E424-K428 PolarHBondContact O-N 2.86Å; E424-K428 VanDerWaalsContact OE1-CE 3.27Å; E424-K428 WeakPolarHBondContact OE1-CE 3.17Å; E424-K428 IonicContact OE1-NZ 3.51Å; E424-K428 PolarHBondContact OE1-NZ 2.88Å; K425-K428 PolarHBondContact O-N 3.23Å; K428-V430 VanDerWaalsContact C-N 3.35Å; K428-V430 PolarHBondContact O-N 3.44Å; K428-G431 PolarHBondContact O-N 3.48Å; K428-E432 WeakPolarHBondContact O-CB 3.46Å; K428-E432 PolarHBondContact O-N 3Å; K428-F462 HydrophobicContact CB-CE1 4.44Å; K428-F462 WeakPolarHBondContact O-CE1 3.49Å; K428-F462 WeakPolarHBondContact O-CZ 3.49Å; K428-A464 HydrophobicContact CG-CB 4.31Å
429	E	90.3	Very high	90	Very high	45 Å²	45	49 Å²	49	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-39.1	178.1	-72	176.8	173.7	0	0	112.8	I384 K425 K426 E432 A433	I384-E429 HydrophobicContact CG2-CB 4.24Å; K425-E429 VanDerWaalsContact CE-OE1 3.23Å; K425-E429 WeakPolarHBondContact CE-OE1 3.47Å; K425-E429 WeakPolarHBondContact O-CG 3.44Å; K425-E429 PolarHBondContact O-N 2.63Å; K426-E429 PolarHBondContact O-N 3.39Å; E429-E432 PolarHBondContact O-N 3.06Å; E429-A433 WeakPolarHBondContact O-CB 3.48Å; E429-A433 PolarHBondContact O-N 3.25Å
430	V	91.9	Very high	89.9	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176	165.3	0	0	0	0	111.5	I384 L385 Y400 R403 A404 K426 F427 K428 E432 F434	I384-V430 HydrophobicContact CG2-CG2 4.05Å; L385-V430 HydrophobicContact CD2-CG1 3.94Å; Y400-V430 HydrophobicContact CD2-CG1 3.66Å; Y400-V430 HydrophobicContact CE2-CG1 4.01Å; R403-V430 HydrophobicContact CB-CG1 3.72Å; R403-V430 HydrophobicContact CB-CG2 3.91Å; A404-V430 HydrophobicContact CB-CG1 4.36Å; K426-V430 WeakPolarHBondContact O-CB 3.41Å; K426-V430 VanDerWaalsContact O-CG2 3.25Å; K426-V430 WeakPolarHBondContact O-CG2 3.42Å; K426-V430 PolarHBondContact O-N 3.1Å; F427-V430 PolarHBondContact O-N 3.18Å; K428-V430 VanDerWaalsContact C-N 3.35Å; K428-V430 PolarHBondContact O-N 3.44Å; V430-E432 VanDerWaalsContact C-N 3.35Å; V430-F434 WeakPolarHBondContact O-CB 3.36Å; V430-F434 PolarHBondContact O-N 3.35Å
431	G	90.3	Very high	89.9	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-39.1	174.3	0	0	0	0	0	112.6	F427 K428 F434 S435 F462	F427-G431 PolarHBondContact O-N 3.41Å; K428-G431 PolarHBondContact O-N 3.48Å; G431-F434 PolarHBondContact O-N 3.21Å; G431-S435 WeakPolarHBondContact O-CB 3.16Å; G431-S435 PolarHBondContact O-N 2.91Å; G431-F462 VanDerWaalsContact C-CE2 3.49Å
432	E	89.9	Confident	89.8	Confident	47 Å²	47	51.4 Å²	51.4	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-49.4	178.5	-172.2	-168.2	160.5	0	0	109.8	K379 Y381 K428 E429 V430 F434 S435 V436 F462	K379-E432 IonicContact NZ-OE1 2.95Å; K379-E432 IonicContact NZ-OE2 2.73Å; K379-E432 PolarHBondContact NZ-OE2 3.1Å; Y381-E432 HydrophobicContact CE1-CG 4.04Å; Y381-E432 PolarHBondContact OH-OE1 3.32Å; K428-E432 WeakPolarHBondContact O-CB 3.46Å; K428-E432 PolarHBondContact O-N 3Å; E429-E432 PolarHBondContact O-N 3.06Å; V430-E432 VanDerWaalsContact C-N 3.35Å; E432-F434 VanDerWaalsContact C-N 3.31Å; E432-F434 PolarHBondContact O-N 3.25Å; E432-S435 WeakPolarHBondContact O-CB 3.28Å; E432-S435 PolarHBondContact O-N 3.22Å; E432-V436 PolarHBondContact O-N 3.45Å; E432-V436 VanDerWaalsContact O-N 3.11Å; E432-F462 HydrophobicContact CB-CE1 4.14Å; E432-F462 HydrophobicContact CB-CE2 4.17Å; E432-F462 HydrophobicContact CB-CZ 3.87Å
433	A	90.5	Very high	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-43.5	176.4	0	0	0	0	0	111.9	Y381 I384 L385 E429 V436 L437	Y381-A433 HydrophobicContact CD1-CB 3.62Å; Y381-A433 HydrophobicContact CG-CB 3.97Å; I384-A433 HydrophobicContact CB-CB 4.16Å; I384-A433 HydrophobicContact CG2-CB 3.81Å; L385-A433 HydrophobicContact CD1-CB 4.25Å; L385-A433 HydrophobicContact CD2-CB 4.11Å; L385-A433 HydrophobicContact CG-CB 3.79Å; E429-A433 WeakPolarHBondContact O-CB 3.48Å; E429-A433 PolarHBondContact O-N 3.25Å; A433-V436 PolarHBondContact O-N 3.38Å; A433-L437 VanDerWaalsContact O-CB 3.29Å; A433-L437 WeakPolarHBondContact O-CB 3.46Å; A433-L437 VanDerWaalsContact O-CG 3.28Å; A433-L437 WeakPolarHBondContact O-CG 3.39Å; A433-L437 PolarHBondContact O-N 2.89Å
434	F	92.4	Very high	89.3	Confident	15 Å²	15	50.1 Å²	50.1	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-43	176.9	-179.8	-107.8	0	0	0	112.4	I396 K397 Y400 V430 G431 E432 V436 L437 S438 I467 F471	I396-F434 HydrophobicContact CG2-CD2 3.93Å; I396-F434 HydrophobicContact CG2-CE2 4.21Å; K397-F434 HydrophobicContact CB-CE2 4.36Å; K397-F434 HydrophobicContact CG-CE2 3.78Å; K397-F434 HydrophobicContact CG-CZ 4.02Å; Y400-F434 HydrophobicContact CD1-CB 4.47Å; Y400-F434 AromaticContact CD1-CD1 3.8Å; Y400-F434 HydrophobicContact CD1-CD1 3.8Å; Y400-F434 AromaticContact CD1-CD2 3.98Å; Y400-F434 HydrophobicContact CD1-CD2 3.98Å; Y400-F434 AromaticContact CD1-CE1 3.98Å; Y400-F434 HydrophobicContact CD1-CE1 3.98Å; Y400-F434 HydrophobicContact CD1-CE2 4.15Å; Y400-F434 AromaticContact CD1-CG 3.8Å; Y400-F434 HydrophobicContact CD1-CG 3.8Å; Y400-F434 HydrophobicContact CD1-CZ 4.16Å; Y400-F434 HydrophobicContact CD2-CB 3.36Å; Y400-F434 HydrophobicContact CD2-CD1 4.08Å; Y400-F434 HydrophobicContact CD2-CD2 4.19Å; Y400-F434 AromaticContact CD2-CG 3.61Å; Y400-F434 HydrophobicContact CD2-CG 3.61Å; Y400-F434 AromaticContact CE1-CD1 3.92Å; Y400-F434 HydrophobicContact CE1-CD1 3.92Å; Y400-F434 HydrophobicContact CE1-CE1 4.12Å; Y400-F434 HydrophobicContact CE1-CG 4.31Å; Y400-F434 HydrophobicContact CE2-CB 3.9Å; Y400-F434 HydrophobicContact CE2-CD1 4.2Å; Y400-F434 HydrophobicContact CE2-CG 4.15Å; Y400-F434 HydrophobicContact CG-CB 3.7Å; Y400-F434 AromaticContact CG-CD1 3.88Å; Y400-F434 HydrophobicContact CG-CD1 3.88Å; Y400-F434 AromaticContact CG-CD2 3.58Å; Y400-F434 HydrophobicContact CG-CD2 3.58Å; Y400-F434 HydrophobicContact CG-CE1 4.44Å; Y400-F434 HydrophobicContact CG-CE2 4.18Å; Y400-F434 AromaticContact CG-CG 3.41Å; Y400-F434 HydrophobicContact CG-CG 3.41Å; Y400-F434 VanDerWaalsContact CG-CG 3.41Å; V430-F434 WeakPolarHBondContact O-CB 3.36Å; V430-F434 PolarHBondContact O-N 3.35Å; G431-F434 PolarHBondContact O-N 3.21Å; E432-F434 VanDerWaalsContact C-N 3.31Å; E432-F434 PolarHBondContact O-N 3.25Å; F434-V436 VanDerWaalsContact C-N 3.25Å; F434-V436 PolarHBondContact O-N 2.97Å; F434-L437 PolarHBondContact O-N 2.97Å; F434-S438 WeakPolarHBondContact O-CB 3.42Å; F434-S438 PolarHBondContact O-N 3.27Å; F434-S438 PolarHBondContact O-OG 3.03Å; F434-I467 HydrophobicContact CD1-CG2 4.09Å; F434-I467 HydrophobicContact CE1-CG2 4.38Å; F434-F471 HydrophobicContact CE1-CD2 4.01Å; F434-F471 HydrophobicContact CE1-CE2 4.15Å; F434-F471 HydrophobicContact CZ-CD2 4.02Å; F434-F471 AromaticContact CZ-CE2 3.68Å; F434-F471 HydrophobicContact CZ-CE2 3.68Å
435	S	89.6	Confident	89.1	Confident	29 Å²	29	52.6 Å²	52.6	20%	0.203	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-36.3	177.6	178.7	0	0	0	0	112.9	G431 E432	G431-S435 WeakPolarHBondContact O-CB 3.16Å; G431-S435 PolarHBondContact O-N 2.91Å; E432-S435 WeakPolarHBondContact O-CB 3.28Å; E432-S435 PolarHBondContact O-N 3.22Å
436	V	89.5	Confident	88.9	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-78.8	-46.3	177.6	176.6	0	0	0	0	111.5	Y381 E432 A433 F434 K442 K443 Y446	Y381-V436 HydrophobicContact CD2-CB 3.95Å; Y381-V436 HydrophobicContact CD2-CG1 3.82Å; Y381-V436 HydrophobicContact CD2-CG2 4.28Å; Y381-V436 HydrophobicContact CE2-CB 3.94Å; Y381-V436 HydrophobicContact CE2-CG1 3.88Å; Y381-V436 HydrophobicContact CE2-CG2 3.76Å; E432-V436 PolarHBondContact O-N 3.45Å; E432-V436 VanDerWaalsContact O-N 3.11Å; A433-V436 PolarHBondContact O-N 3.38Å; F434-V436 VanDerWaalsContact C-N 3.25Å; F434-V436 PolarHBondContact O-N 2.97Å; V436-K442 HydrophobicContact CG1-CB 4.41Å; V436-K442 CarbonylContact O-C 3.55Å; V436-K442 WeakPolarHBondContact O-CB 3.41Å; V436-K443 PolarHBondContact O-N 2.92Å; V436-K443 VanDerWaalsContact O-N 3.09Å; V436-Y446 HydrophobicContact CG1-CD2 4.16Å; V436-Y446 HydrophobicContact CG1-CG 3.97Å
437	L	90.3	Very high	88.6	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-82.1	-20.5	-172.3	-65.3	-179.5	0	0	0	114.6	Y382 L385 I396 A433 F434 K443 Y446	Y382-L437 HydrophobicContact CD1-CD1 3.86Å; Y382-L437 HydrophobicContact CD1-CD2 4.33Å; Y382-L437 HydrophobicContact CD2-CD2 4.36Å; Y382-L437 HydrophobicContact CE1-CD1 4.03Å; Y382-L437 HydrophobicContact CE1-CD2 3.74Å; Y382-L437 HydrophobicContact CE1-CG 4.48Å; Y382-L437 HydrophobicContact CE2-CD2 3.8Å; Y382-L437 HydrophobicContact CG-CD1 4.16Å; Y382-L437 VanDerWaalsContact CZ-CD2 3.45Å; L385-L437 HydrophobicContact CD1-CD1 3.84Å; I396-L437 HydrophobicContact CD1-CB 4.28Å; I396-L437 HydrophobicContact CG2-CB 4.07Å; A433-L437 VanDerWaalsContact O-CB 3.29Å; A433-L437 WeakPolarHBondContact O-CB 3.46Å; A433-L437 VanDerWaalsContact O-CG 3.28Å; A433-L437 WeakPolarHBondContact O-CG 3.39Å; A433-L437 PolarHBondContact O-N 2.89Å; F434-L437 PolarHBondContact O-N 2.97Å; L437-K443 HydrophobicContact CD2-CG 4.2Å; L437-Y446 HydrophobicContact CD2-CD1 4.03Å; L437-Y446 HydrophobicContact CD2-CE1 4.32Å
438	S	88.4	Confident	88	Confident	34 Å²	34	50.3 Å²	50.3	24%	0.238	27%	0.265	C	S	.	.	S	Bend	trans	-82.9	-22	177.8	61.8	0	0	0	0	113.9	F434	F434-S438 WeakPolarHBondContact O-CB 3.42Å; F434-S438 PolarHBondContact O-N 3.27Å; F434-S438 PolarHBondContact O-OG 3.03Å
439	D	87.8	Confident	87.2	Confident	63 Å²	63	46.4 Å²	46.4	34%	0.337	25%	0.254	S	S	.	.	S	Bend	trans	-92.3	120.3	175.5	178.3	-53.8	0	0	0	109.9	K441 K442 K443	D439-K441 VanDerWaalsContact C-N 3.27Å; D439-K441 PolarHBondContact O-N 2.7Å; D439-K441 WeakPolarHBondContact OD1-CA 3.26Å; D439-K441 WeakPolarHBondContact OD1-CB 3.49Å; D439-K441 PolarHBondContact OD1-N 3.4Å; D439-K442 HydrophobicContact CB-CB 4Å; D439-K442 HydrophobicContact CB-CD 4.02Å; D439-K442 HydrophobicContact CB-CG 4Å; D439-K442 PolarHBondContact O-N 2.99Å; D439-K442 PolarHBondContact OD1-N 2.75Å; D439-K443 VanDerWaalsContact O-CB 3.23Å; D439-K443 WeakPolarHBondContact O-CB 3.4Å; D439-K443 PolarHBondContact O-N 2.97Å
440	A	86.3	Confident	86.4	Confident	80 Å²	80	49.7 Å²	49.7	66%	0.661	27%	0.269	S	S	*	.	H	α-helix	trans	-58.2	-34.5	-176.2	0	0	0	0	0	113.9	A444	A440-A444 VanDerWaalsContact O-CB 3.27Å; A440-A444 WeakPolarHBondContact O-CB 3.13Å; A440-A444 PolarHBondContact O-N 3.49Å
441	K	86.7	Confident	85.7	Confident	169 Å²	169	52.5 Å²	52.5	74%	0.735	28%	0.284	S	S	*	.	H	α-helix	trans	-75.8	-43.3	178.5	-66.2	-179.2	-179.8	175.6	0	110.9	D439 A444 R445	D439-K441 VanDerWaalsContact C-N 3.27Å; D439-K441 PolarHBondContact O-N 2.7Å; D439-K441 WeakPolarHBondContact OD1-CA 3.26Å; D439-K441 WeakPolarHBondContact OD1-CB 3.49Å; D439-K441 PolarHBondContact OD1-N 3.4Å; K441-A444 PolarHBondContact O-N 3Å; K441-R445 WeakPolarHBondContact O-CG 3.5Å; K441-R445 PolarHBondContact O-N 3.47Å
442	K	87.3	Confident	84.7	Confident	86 Å²	86	53.7 Å²	53.7	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-41.8	177.1	-64.6	-176.5	-174.9	176.4	0	111.4	V436 D439 R445 Y446	V436-K442 HydrophobicContact CG1-CB 4.41Å; V436-K442 CarbonylContact O-C 3.55Å; V436-K442 WeakPolarHBondContact O-CB 3.41Å; D439-K442 HydrophobicContact CB-CB 4Å; D439-K442 HydrophobicContact CB-CD 4.02Å; D439-K442 HydrophobicContact CB-CG 4Å; D439-K442 PolarHBondContact O-N 2.99Å; D439-K442 PolarHBondContact OD1-N 2.75Å; K442-R445 PolarHBondContact O-N 3.1Å; K442-Y446 WeakPolarHBondContact O-CB 3.45Å; K442-Y446 PolarHBondContact O-N 2.97Å
443	K	86.6	Confident	83.3	Confident	43 Å²	43	57.8 Å²	57.8	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-58.1	-48.6	173.3	-174.3	-177.5	-179	-179.6	0	110.8	Y382 A391 V436 L437 D439 R445 Y446 D447	Y382-K443 WeakPolarHBondContact OH-CE 3.48Å; A391-K443 PolarHBondContact O-NZ 2.79Å; V436-K443 PolarHBondContact O-N 2.92Å; V436-K443 VanDerWaalsContact O-N 3.09Å; L437-K443 HydrophobicContact CD2-CG 4.2Å; D439-K443 VanDerWaalsContact O-CB 3.23Å; D439-K443 WeakPolarHBondContact O-CB 3.4Å; D439-K443 PolarHBondContact O-N 2.97Å; K443-R445 PolarHBondContact O-N 3.02Å; K443-Y446 PolarHBondContact O-N 3.49Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 VanDerWaalsContact O-CG 3.28Å; K443-D447 PolarHBondContact O-N 3.37Å
444	A	84.6	Confident	81.8	Confident	55 Å²	55	62.4 Å²	62.4	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-39.6	177.4	0	0	0	0	0	113.1	A440 K441 S448	A440-A444 VanDerWaalsContact O-CB 3.27Å; A440-A444 WeakPolarHBondContact O-CB 3.13Å; A440-A444 PolarHBondContact O-N 3.49Å; K441-A444 PolarHBondContact O-N 3Å; A444-S448 WeakPolarHBondContact O-CB 3.41Å; A444-S448 PolarHBondContact O-N 2.94Å; A444-S448 PolarHBondContact O-OG 3.23Å
445	R	84.3	Confident	79.7	Confident	131 Å²	131	67.9 Å²	67.9	49%	0.494	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-41.5	174	-76.1	-174.8	179.6	-158.2	-1.4	112.1	K441 K442 K443 S448 G449 Q450	K441-R445 WeakPolarHBondContact O-CG 3.5Å; K441-R445 PolarHBondContact O-N 3.47Å; K442-R445 PolarHBondContact O-N 3.1Å; K443-R445 PolarHBondContact O-N 3.02Å; R445-S448 WeakPolarHBondContact CA-OG 3.21Å; R445-S448 PolarHBondContact O-N 3.44Å; R445-S448 PolarHBondContact O-OG 2.99Å; R445-S448 VanDerWaalsContact O-OG 3.09Å; R445-G449 PolarHBondContact O-N 3.41Å; R445-Q450 PolarHBondContact O-N 2.93Å; R445-Q450 VanDerWaalsContact O-N 3.09Å
446	Y	86.5	Confident	77.5	Confident	15 Å²	15	69.3 Å²	69.3	6%	0.059	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-49.4	175.3	179	-98	0	0	0	110.9	R378 K379 D380 Y381 Y382 V436 L437 K442 K443 S448 G449	R378-Y446 HydrophobicContact CG-CE2 4.46Å; R378-Y446 VanDerWaalsContact CZ-O 3.31Å; R378-Y446 PolarHBondContact NH1-O 3.3Å; R378-Y446 VanDerWaalsContact NH1-O 3.12Å; R378-Y446 VanDerWaalsContact NH2-C 3.27Å; R378-Y446 PolarHBondContact NH2-O 2.71Å; K379-Y446 PolarHBondContact O-OH 2.93Å; D380-Y446 WeakPolarHBondContact CA-OH 3.49Å; Y381-Y446 HydrophobicContact CD2-CD1 4.4Å; Y381-Y446 AromaticContact CD2-CD2 3.5Å; Y381-Y446 HydrophobicContact CD2-CD2 3.5Å; Y381-Y446 VanDerWaalsContact CD2-CD2 3.5Å; Y381-Y446 HydrophobicContact CD2-CE1 4.09Å; Y381-Y446 AromaticContact CD2-CE2 3.15Å; Y381-Y446 HydrophobicContact CD2-CE2 3.15Å; Y381-Y446 HydrophobicContact CD2-CG 4.13Å; Y381-Y446 AromaticContact CD2-CZ 3.48Å; Y381-Y446 VanDerWaalsContact CD2-CZ 3.48Å; Y381-Y446 AromaticContact CE2-CD2 3.61Å; Y381-Y446 HydrophobicContact CE2-CD2 3.61Å; Y381-Y446 AromaticContact CE2-CE2 3.43Å; Y381-Y446 HydrophobicContact CE2-CE2 3.43Å; Y381-Y446 VanDerWaalsContact CE2-CE2 3.43Å; Y381-Y446 HydrophobicContact CG-CE2 4.08Å; Y381-Y446 PolarHBondContact N-OH 2.9Å; Y382-Y446 AromaticContact CD2-CE1 3.91Å; Y382-Y446 HydrophobicContact CD2-CE1 3.91Å; Y382-Y446 AromaticContact CE2-CD1 3.99Å; Y382-Y446 HydrophobicContact CE2-CD1 3.99Å; Y382-Y446 AromaticContact CE2-CE1 3.64Å; Y382-Y446 HydrophobicContact CE2-CE1 3.64Å; V436-Y446 HydrophobicContact CG1-CD2 4.16Å; V436-Y446 HydrophobicContact CG1-CG 3.97Å; L437-Y446 HydrophobicContact CD2-CD1 4.03Å; L437-Y446 HydrophobicContact CD2-CE1 4.32Å; K442-Y446 WeakPolarHBondContact O-CB 3.45Å; K442-Y446 PolarHBondContact O-N 2.97Å; K443-Y446 PolarHBondContact O-N 3.49Å; Y446-S448 PolarHBondContact O-N 2.93Å; Y446-G449 PolarHBondContact O-N 3.36Å; Y446-G449 VanDerWaalsContact O-N 3.07Å
447	D	83.8	Confident	75	Confident	58 Å²	58	76.4 Å²	76.4	31%	0.31	42%	0.418	S	S	.	.	H	α-helix	trans	-63.1	-30.1	-179.6	-71.7	-26	0	0	0	113.2	Y382 K443	Y382-D447 VanDerWaalsContact CE2-OD1 3.29Å; Y382-D447 WeakPolarHBondContact CE2-OD1 3.35Å; Y382-D447 VanDerWaalsContact OH-CG 3.22Å; Y382-D447 PolarHBondContact OH-OD1 3.26Å; Y382-D447 PolarHBondContact OH-OD2 3.11Å; Y382-D447 VanDerWaalsContact OH-OD2 3.05Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 VanDerWaalsContact O-CG 3.28Å; K443-D447 PolarHBondContact O-N 3.37Å
448	S	79.8	Confident	72.6	Confident	70 Å²	70	83.6 Å²	83.6	49%	0.49	46%	0.456	S	S	.	.	H	α-helix	trans	-88.1	-12	176	58	0	0	0	0	114.6	A444 R445 Y446 Q450	A444-S448 WeakPolarHBondContact O-CB 3.41Å; A444-S448 PolarHBondContact O-N 2.94Å; A444-S448 PolarHBondContact O-OG 3.23Å; R445-S448 WeakPolarHBondContact CA-OG 3.21Å; R445-S448 PolarHBondContact O-N 3.44Å; R445-S448 PolarHBondContact O-OG 2.99Å; R445-S448 VanDerWaalsContact O-OG 3.09Å; Y446-S448 PolarHBondContact O-N 2.93Å; S448-Q450 VanDerWaalsContact C-N 3.27Å; S448-Q450 PolarHBondContact O-N 3.32Å
449	G	74.8	Confident	70.4	Confident	19 Å²	19	88.7 Å²	88.7	20%	0.196	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	6.2	-177.6	0	0	0	0	0	115.2	R445 Y446 D451 L452	R445-G449 PolarHBondContact O-N 3.41Å; Y446-G449 PolarHBondContact O-N 3.36Å; Y446-G449 VanDerWaalsContact O-N 3.07Å; G449-D451 WeakPolarHBondContact CA-OD1 3.5Å; G449-D451 PolarHBondContact O-N 2.94Å; G449-L452 PolarHBondContact O-N 2.91Å
450	Q	74.1	Confident	68.1	Low	114 Å²	114	88.3 Å²	88.3	53%	0.533	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-68.9	-17.3	179.1	-72.9	-178.3	-4.4	0	0	113.3	R445 S448 L452 E453	R445-Q450 PolarHBondContact O-N 2.93Å; R445-Q450 VanDerWaalsContact O-N 3.09Å; S448-Q450 VanDerWaalsContact C-N 3.27Å; S448-Q450 PolarHBondContact O-N 3.32Å; Q450-L452 PolarHBondContact O-N 3.34Å; Q450-E453 PolarHBondContact O-N 2.89Å
451	D	76.1	Confident	66	Low	61 Å²	61	92.9 Å²	92.9	33%	0.326	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-62.7	-20.8	171.9	61.4	-44.1	0	0	0	113.4	R378 G449	R378-D451 IonicContact CZ-OD1 3.61Å; R378-D451 IonicContact CZ-OD2 2.72Å; R378-D451 IonicContact NE-OD1 3.49Å; R378-D451 IonicContact NE-OD2 2.68Å; R378-D451 PolarHBondContact NE-OD2 3.31Å; R378-D451 IonicContact NH2-OD1 2.6Å; R378-D451 PolarHBondContact NH2-OD1 3.24Å; R378-D451 IonicContact NH2-OD2 3.85Å; R378-D451 PolarHBondContact NH2-OD2 2.99Å; G449-D451 WeakPolarHBondContact CA-OD1 3.5Å; G449-D451 PolarHBondContact O-N 2.94Å
452	L	69.6	Low	64.7	Low	27 Å²	27	88.3 Å²	88.3	14%	0.141	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-89.8	-13.6	-178.4	-58.9	178.1	0	0	0	114.1	L371 K374 K375 R378 G449 Q450	L371-L452 HydrophobicContact CD1-CB 3.77Å; K374-L452 HydrophobicContact CB-CD2 4.48Å; K375-L452 HydrophobicContact CB-CD1 4.28Å; K375-L452 HydrophobicContact CG-CD1 3.4Å; K375-L452 VanDerWaalsContact CG-CD1 3.4Å; R378-L452 HydrophobicContact CG-CD2 4.48Å; G449-L452 PolarHBondContact O-N 2.91Å; Q450-L452 PolarHBondContact O-N 3.34Å
453	E	61.3	Low	63.8	Low	132 Å²	132	87.5 Å²	87.5	62%	0.617	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-19.2	-173.8	-63.1	-172.2	163	0	0	113.8	Q450 D455	Q450-E453 PolarHBondContact O-N 2.89Å; E453-D455 PolarHBondContact O-N 2.87Å
454	D	58.1	Low	63	Low	97 Å²	97	85.7 Å²	85.7	52%	0.519	48%	0.476	S	S	.	.			trans	-96.3	85	-172.7	-143	5.1	0	0	0	110.2	G456	D454-G456 PolarHBondContact O-N 2.93Å
455	D	48.3	Very low	62.5	Low	130 Å²	130	86.5 Å²	86.5	70%	0.695	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	20	-176.8	-104.8	-17.8	0	0	0	115	K374 E453	K374-D455 IonicContact NZ-OD1 3.02Å; K374-D455 PolarHBondContact NZ-OD1 3.43Å; K374-D455 IonicContact NZ-OD2 3.49Å; E453-D455 PolarHBondContact O-N 2.87Å
456	G	43.3	Very low	62.2	Low	59 Å²	59	84.8 Å²	84.8	61%	0.608	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	-8.8	-162.5	0	0	0	0	0	118.7	D454 N458	D454-G456 PolarHBondContact O-N 2.93Å; G456-N458 PolarHBondContact O-N 3.27Å
457	M	36.3	Very low	61.6	Low	158 Å²	158	86 Å²	86	78%	0.778	48%	0.48	S	S	*	.			trans	-100.6	94.3	176.9	-72.4	-66.1	174.7	0	0	109.9	M459	M457-M459 PolarHBondContact O-N 3.19Å
458	N	40.3	Very low	61.3	Low	155 Å²	155	83.5 Å²	83.5	83%	0.829	47%	0.466	S	S	*	.			trans	-40.7	105.8	157.3	-163.5	26.2	0	0	0	107.3	G456 G460	G456-N458 PolarHBondContact O-N 3.27Å; N458-G460 PolarHBondContact O-N 3.38Å
459	M	42.1	Very low	61.2	Low	140 Å²	140	85.3 Å²	85.3	69%	0.69	47%	0.465	S	S	*	.			trans	-60.1	93.4	168.7	-80.9	-75	-149.6	0	0	105.1	M457 D461	M457-M459 PolarHBondContact O-N 3.19Å; M459-D461 PolarHBondContact O-N 3.23Å
460	G	41	Very low	61.2	Low	56 Å²	56	88.4 Å²	88.4	58%	0.577	49%	0.489	S	S	*	.			trans	-49	138.5	-177.8	0	0	0	0	0	109.7	N458 F462	N458-G460 PolarHBondContact O-N 3.38Å; G460-F462 PolarHBondContact O-N 2.99Å
461	D	40.3	Very low	61.1	Low	176 Å²	176	85.9 Å²	85.9	94%	0.941	48%	0.476	S	S	*	.			trans	-22.6	98.1	-172.9	-121.9	-11.2	0	0	0	113.1	M459 D463	M459-D461 PolarHBondContact O-N 3.23Å; D461-D463 PolarHBondContact O-N 3.15Å
462	F	60.4	Low	60.9	Low	73 Å²	73	86 Å²	86	32%	0.32	47%	0.474	S	S	.	.			trans	-78	108.7	179.7	164.9	-96.6	0	0	0	108.7	K428 G431 E432 G460 A464 I467	K428-F462 HydrophobicContact CB-CE1 4.44Å; K428-F462 WeakPolarHBondContact O-CE1 3.49Å; K428-F462 WeakPolarHBondContact O-CZ 3.49Å; G431-F462 VanDerWaalsContact C-CE2 3.49Å; E432-F462 HydrophobicContact CB-CE1 4.14Å; E432-F462 HydrophobicContact CB-CE2 4.17Å; E432-F462 HydrophobicContact CB-CZ 3.87Å; G460-F462 PolarHBondContact O-N 2.99Å; F462-A464 HydrophobicContact CE1-CB 3.86Å; F462-A464 HydrophobicContact CZ-CB 3.78Å; F462-I467 HydrophobicContact CD2-CD1 4.18Å; F462-I467 HydrophobicContact CE2-CD1 3.63Å
463	D	68.7	Low	60.1	Low	69 Å²	69	87.4 Å²	87.4	37%	0.369	50%	0.495	S	S	.	.			trans	-108.5	100.6	174.2	-171.4	-6.3	0	0	0	111.2	D461 N465 N466 I467	D461-D463 PolarHBondContact O-N 3.15Å; D463-N465 PolarHBondContact O-N 3.44Å; D463-N465 WeakPolarHBondContact OD1-CB 3.43Å; D463-N465 PolarHBondContact OD1-N 3.15Å; D463-N466 HydrophobicContact CB-CB 4.11Å; D463-N466 PolarHBondContact O-N 2.95Å; D463-N466 VanDerWaalsContact O-N 3.13Å; D463-N466 VanDerWaalsContact OD2-CG 3.27Å; D463-N466 PolarHBondContact OD2-ND2 3.02Å; D463-I467 PolarHBondContact O-N 3.33Å
464	A	69.6	Low	59.2	Low	5 Å²	5	83.1 Å²	83.1	4%	0.041	49%	0.486	C	S	.	.	H	α-helix	trans	-58.3	-30.8	177.6	0	0	0	0	0	112.8	F427 K428 F462 I467 F468	F427-A464 HydrophobicContact CD1-CB 4.07Å; F427-A464 HydrophobicContact CE1-CB 3.93Å; K428-A464 HydrophobicContact CG-CB 4.31Å; F462-A464 HydrophobicContact CE1-CB 3.86Å; F462-A464 HydrophobicContact CZ-CB 3.78Å; A464-I467 PolarHBondContact O-N 2.97Å; A464-F468 WeakPolarHBondContact O-CB 3.44Å; A464-F468 PolarHBondContact O-N 3.19Å
465	N	74.6	Confident	58	Low	71 Å²	71	85.9 Å²	85.9	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-72	-34.7	178.7	-70.2	-34	0	0	0	111.4	F427 D463 F468 K469	F427-N465 WeakPolarHBondContact CE1-OD1 3.31Å; D463-N465 PolarHBondContact O-N 3.44Å; D463-N465 WeakPolarHBondContact OD1-CB 3.43Å; D463-N465 PolarHBondContact OD1-N 3.15Å; N465-F468 PolarHBondContact O-N 3.47Å; N465-K469 WeakPolarHBondContact O-CB 3.46Å; N465-K469 VanDerWaalsContact O-CG 3.29Å; N465-K469 WeakPolarHBondContact O-CG 3.34Å; N465-K469 PolarHBondContact O-N 2.83Å
466	N	76.3	Confident	57.7	Low	95 Å²	95	82 Å²	82	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-68.3	-38.2	175.4	-75.1	-23.6	0	0	0	112	D463 K469 A470	D463-N466 HydrophobicContact CB-CB 4.11Å; D463-N466 PolarHBondContact O-N 2.95Å; D463-N466 VanDerWaalsContact O-N 3.13Å; D463-N466 VanDerWaalsContact OD2-CG 3.27Å; D463-N466 PolarHBondContact OD2-ND2 3.02Å; N466-K469 PolarHBondContact O-N 2.82Å; N466-A470 VanDerWaalsContact O-CB 3.22Å; N466-A470 WeakPolarHBondContact O-CB 3.2Å; N466-A470 PolarHBondContact O-N 3.17Å
467	I	74	Confident	57.4	Low	41 Å²	41	83.1 Å²	83.1	21%	0.21	51%	0.511	C	S	.	.	H	α-helix	trans	-66.5	-43.2	174.6	-60.8	175.4	0	0	0	110.2	F434 F462 D463 A464 A470 F471	F434-I467 HydrophobicContact CD1-CG2 4.09Å; F434-I467 HydrophobicContact CE1-CG2 4.38Å; F462-I467 HydrophobicContact CD2-CD1 4.18Å; F462-I467 HydrophobicContact CE2-CD1 3.63Å; D463-I467 PolarHBondContact O-N 3.33Å; A464-I467 PolarHBondContact O-N 2.97Å; I467-A470 PolarHBondContact O-N 3.47Å; I467-F471 WeakPolarHBondContact O-CB 3.29Å; I467-F471 PolarHBondContact O-N 3.05Å
468	F	77.7	Confident	57.5	Low	5 Å²	5	85.1 Å²	85.1	2%	0.022	52%	0.516	C	S	.	.	H	α-helix	trans	-61.4	-47.7	175.7	-171.9	-94.5	0	0	0	111.7	A404 L405 H408 F427 A464 N465 F471 F472 F492	A404-F468 HydrophobicContact CB-CD2 3.84Å; A404-F468 HydrophobicContact CB-CE2 3.89Å; L405-F468 HydrophobicContact CD2-CE2 4.36Å; L405-F468 HydrophobicContact CD2-CZ 4Å; H408-F468 AromaticContact CD2-CD1 3.89Å; H408-F468 AromaticContact CD2-CE1 3.55Å; H408-F468 AromaticContact CD2-CE2 3.98Å; H408-F468 AromaticContact CD2-CZ 3.6Å; H408-F468 AromaticContact NE2-CD1 3.78Å; H408-F468 AromaticContact NE2-CE1 3.56Å; F427-F468 AromaticContact CE2-CD2 3.88Å; F427-F468 HydrophobicContact CE2-CD2 3.88Å; F427-F468 HydrophobicContact CE2-CE2 4.3Å; F427-F468 HydrophobicContact CE2-CG 4.35Å; F427-F468 HydrophobicContact CZ-CB 3.81Å; F427-F468 AromaticContact CZ-CD2 3.85Å; F427-F468 HydrophobicContact CZ-CD2 3.85Å; F427-F468 AromaticContact CZ-CG 3.86Å; F427-F468 HydrophobicContact CZ-CG 3.86Å; A464-F468 WeakPolarHBondContact O-CB 3.44Å; A464-F468 PolarHBondContact O-N 3.19Å; N465-F468 PolarHBondContact O-N 3.47Å; F468-F471 PolarHBondContact O-N 3.41Å; F468-F472 HydrophobicContact CD1-CD2 4.25Å; F468-F472 AromaticContact CD2-CD2 3.5Å; F468-F472 HydrophobicContact CD2-CD2 3.5Å; F468-F472 VanDerWaalsContact CD2-CD2 3.5Å; F468-F472 AromaticContact CD2-CE2 3.52Å; F468-F472 HydrophobicContact CD2-CE2 3.52Å; F468-F472 HydrophobicContact CE1-CB 4.41Å; F468-F472 HydrophobicContact CE1-CD2 4.15Å; F468-F472 HydrophobicContact CE1-CG 4.38Å; F468-F472 AromaticContact CE2-CD2 3.39Å; F468-F472 HydrophobicContact CE2-CD2 3.39Å; F468-F472 AromaticContact CE2-CE2 3.26Å; F468-F472 HydrophobicContact CE2-CE2 3.26Å; F468-F472 HydrophobicContact CE2-CG 4.19Å; F468-F472 AromaticContact CE2-CZ 3.94Å; F468-F472 HydrophobicContact CE2-CZ 3.94Å; F468-F472 AromaticContact CG-CD2 3.94Å; F468-F472 HydrophobicContact CG-CD2 3.94Å; F468-F472 HydrophobicContact CG-CE2 4.41Å; F468-F472 AromaticContact CZ-CD2 3.74Å; F468-F472 HydrophobicContact CZ-CD2 3.74Å; F468-F472 AromaticContact CZ-CE2 3.96Å; F468-F472 HydrophobicContact CZ-CE2 3.96Å; F468-F472 HydrophobicContact CZ-CG 4.09Å; F468-F472 HydrophobicContact CZ-CZ 4.46Å; F468-F472 WeakPolarHBondContact O-CB 3.34Å; F468-F472 WeakPolarHBondContact O-CD2 3.43Å; F468-F472 PolarHBondContact O-N 2.89Å; F468-F492 HydrophobicContact CE1-CE1 4.4Å; F468-F492 HydrophobicContact CE1-CZ 4.28Å
469	K	77.4	Confident	57.2	Low	109 Å²	109	83.3 Å²	83.3	47%	0.474	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.1	-74.9	179.1	179	-174.4	0	112.5	N465 N466 F471 G473	N465-K469 WeakPolarHBondContact O-CB 3.46Å; N465-K469 VanDerWaalsContact O-CG 3.29Å; N465-K469 WeakPolarHBondContact O-CG 3.34Å; N465-K469 PolarHBondContact O-N 2.83Å; N466-K469 PolarHBondContact O-N 2.82Å; K469-F471 VanDerWaalsContact C-N 3.29Å; K469-F471 PolarHBondContact O-N 2.78Å; K469-G473 WeakPolarHBondContact O-CA 3.33Å; K469-G473 PolarHBondContact O-N 3.12Å
470	A	75.4	Confident	56.8	Low	84 Å²	84	85.3 Å²	85.3	69%	0.694	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-33.3	176.3	0	0	0	0	0	112.3	N466 I467	N466-A470 VanDerWaalsContact O-CB 3.22Å; N466-A470 WeakPolarHBondContact O-CB 3.2Å; N466-A470 PolarHBondContact O-N 3.17Å; I467-A470 PolarHBondContact O-N 3.47Å
471	F	71.7	Confident	56.4	Low	60 Å²	60	91.7 Å²	91.7	26%	0.263	54%	0.536	S	S	.	.	H	α-helix	trans	-83.1	-34.1	-177.9	-165.5	-79.8	0	0	0	113.3	K397 Y400 R401 F434 I467 F468 K469	K397-F471 HydrophobicContact CB-CZ 4.25Å; K397-F471 HydrophobicContact CG-CE2 4.26Å; K397-F471 HydrophobicContact CG-CZ 4.41Å; Y400-F471 HydrophobicContact CD1-CD1 4.43Å; Y400-F471 HydrophobicContact CD1-CD2 4.38Å; Y400-F471 HydrophobicContact CD1-CE1 4.48Å; Y400-F471 HydrophobicContact CD1-CE2 4.39Å; Y400-F471 HydrophobicContact CD1-CG 4.39Å; Y400-F471 HydrophobicContact CD1-CZ 4.43Å; Y400-F471 HydrophobicContact CE1-CB 4.26Å; Y400-F471 HydrophobicContact CE1-CD1 4.17Å; Y400-F471 HydrophobicContact CE1-CD2 4.19Å; Y400-F471 AromaticContact CE1-CG 3.93Å; Y400-F471 HydrophobicContact CE1-CG 3.93Å; R401-F471 HydrophobicContact CG-CD1 4.15Å; R401-F471 HydrophobicContact CG-CE1 3.26Å; R401-F471 HydrophobicContact CG-CZ 3.89Å; F434-F471 HydrophobicContact CE1-CD2 4.01Å; F434-F471 HydrophobicContact CE1-CE2 4.15Å; F434-F471 HydrophobicContact CZ-CD2 4.02Å; F434-F471 AromaticContact CZ-CE2 3.68Å; F434-F471 HydrophobicContact CZ-CE2 3.68Å; I467-F471 WeakPolarHBondContact O-CB 3.29Å; I467-F471 PolarHBondContact O-N 3.05Å; F468-F471 PolarHBondContact O-N 3.41Å; K469-F471 VanDerWaalsContact C-N 3.29Å; K469-F471 PolarHBondContact O-N 2.78Å
472	F	73.6	Confident	56	Low	64 Å²	64	86.8 Å²	86.8	28%	0.281	52%	0.52	S	S	.	.	H	α-helix	trans	-108	-11.7	-177.3	-73.2	-88.3	0	0	0	114.5	Y400 R401 L405 F468	Y400-F472 HydrophobicContact CE1-CE2 4.48Å; R401-F472 HydrophobicContact CB-CZ 4.03Å; R401-F472 HydrophobicContact CG-CE1 4.27Å; R401-F472 HydrophobicContact CG-CE2 4.44Å; R401-F472 HydrophobicContact CG-CZ 3.75Å; L405-F472 HydrophobicContact CD1-CE1 4.11Å; L405-F472 HydrophobicContact CD1-CZ 4.23Å; L405-F472 HydrophobicContact CD2-CE1 4.41Å; L405-F472 HydrophobicContact CG-CE1 4.25Å; L405-F472 HydrophobicContact CG-CZ 4.06Å; F468-F472 HydrophobicContact CD1-CD2 4.25Å; F468-F472 AromaticContact CD2-CD2 3.5Å; F468-F472 HydrophobicContact CD2-CD2 3.5Å; F468-F472 VanDerWaalsContact CD2-CD2 3.5Å; F468-F472 AromaticContact CD2-CE2 3.52Å; F468-F472 HydrophobicContact CD2-CE2 3.52Å; F468-F472 HydrophobicContact CE1-CB 4.41Å; F468-F472 HydrophobicContact CE1-CD2 4.15Å; F468-F472 HydrophobicContact CE1-CG 4.38Å; F468-F472 AromaticContact CE2-CD2 3.39Å; F468-F472 HydrophobicContact CE2-CD2 3.39Å; F468-F472 AromaticContact CE2-CE2 3.26Å; F468-F472 HydrophobicContact CE2-CE2 3.26Å; F468-F472 HydrophobicContact CE2-CG 4.19Å; F468-F472 AromaticContact CE2-CZ 3.94Å; F468-F472 HydrophobicContact CE2-CZ 3.94Å; F468-F472 AromaticContact CG-CD2 3.94Å; F468-F472 HydrophobicContact CG-CD2 3.94Å; F468-F472 HydrophobicContact CG-CE2 4.41Å; F468-F472 AromaticContact CZ-CD2 3.74Å; F468-F472 HydrophobicContact CZ-CD2 3.74Å; F468-F472 AromaticContact CZ-CE2 3.96Å; F468-F472 HydrophobicContact CZ-CE2 3.96Å; F468-F472 HydrophobicContact CZ-CG 4.09Å; F468-F472 HydrophobicContact CZ-CZ 4.46Å; F468-F472 WeakPolarHBondContact O-CB 3.34Å; F468-F472 WeakPolarHBondContact O-CD2 3.43Å; F468-F472 PolarHBondContact O-N 2.89Å
473	G	50.7	Low	54.8	Low	56 Å²	56	89.9 Å²	89.9	58%	0.577	55%	0.551	S	S	*	*			trans	-99.7	8.9	-174.8	0	0	0	0	0	115.8	K469	K469-G473 WeakPolarHBondContact O-CA 3.33Å; K469-G473 PolarHBondContact O-N 3.12Å
474	G	42.9	Very low	53.2	Low	42 Å²	42	89.1 Å²	89.1	43%	0.433	56%	0.559	S	S	.	*	S	Bend	trans	-68.6	159.3	171.9	0	0	0	0	0	112.7	G476	G474-G476 PolarHBondContact O-N 3.19Å
475	P	33.5	Very low	51.5	Low	156 Å²	156	96 Å²	96	100%	1.013	60%	0.603	S	S	*	*	S	Bend	trans	-75.3	52.2	-171.1	31.8	-35.6	0	0	0	113.8
476	G	42.1	Very low	49.7	Very low	49 Å²	49	94.9 Å²	94.9	51%	0.505	61%	0.608	S	S	.	*			trans	-157.8	68.9	177.8	0	0	0	0	0	108.9	G474 F478	G474-G476 PolarHBondContact O-N 3.19Å; G476-F478 WeakPolarHBondContact O-CD2 3.35Å; G476-F478 PolarHBondContact O-N 3.31Å
477	G	37.1	Very low	47.6	Very low	81 Å²	81	97.5 Å²	97.5	84%	0.835	62%	0.622	S	S	*	*			trans	-61	103.5	173.7	0	0	0	0	0	110.1
478	F	38.8	Very low	45.8	Very low	200 Å²	200	104.1 Å²	104.1	88%	0.877	65%	0.65	S	S	*	*			trans	-85	111.6	172.4	-90.5	-88.8	0	0	0	109.3	G476	G476-F478 WeakPolarHBondContact O-CD2 3.35Å; G476-F478 PolarHBondContact O-N 3.31Å
479	S	33.3	Very low	43.8	Very low	118 Å²	118	112.8 Å²	112.8	83%	0.825	69%	0.688	S	S	*	*			trans	-69.8	136.3	163.3	-82	0	0	0	0	109.8
480	F	33.5	Very low	41.9	Very low	182 Å²	182	111.8 Å²	111.8	80%	0.798	68%	0.684	S	S	*	*			trans	-106.8	115.2	171.3	-153.8	-89.4	0	0	0	108.9	A482	F480-A482 HydrophobicContact CD1-CB 4.18Å; F480-A482 PolarHBondContact O-N 3.21Å; F480-A482 VanDerWaalsContact O-N 3.14Å
481	E	32	Very low	39.7	Very low	189 Å²	189	116.5 Å²	116.5	88%	0.883	69%	0.691	S	S	*	*			trans	-72.1	97.6	162.6	-86.5	179.4	146.8	0	0	108.3
482	A	31.7	Very low	37.7	Very low	74 Å²	74	119.2 Å²	119.2	61%	0.612	70%	0.703	S	S	*	*			trans	-97.9	116.7	160.6	0	0	0	0	0	107.8	F480 G484	F480-A482 HydrophobicContact CD1-CB 4.18Å; F480-A482 PolarHBondContact O-N 3.21Å; F480-A482 VanDerWaalsContact O-N 3.14Å; A482-G484 PolarHBondContact O-N 2.88Å
483	S	35.6	Very low	35.7	Very low	138 Å²	138	122.5 Å²	122.5	97%	0.965	76%	0.756	S	S	*	*	S	Bend	trans	-64.5	93	174.6	-49	0	0	0	0	110.5
484	G	34.8	Very low	34.9	Very low	52 Å²	52	125.9 Å²	125.9	54%	0.536	76%	0.764	S	S	.	*	S	Bend	trans	-178.6	146.4	174.2	0	0	0	0	0	109.6	A482 G486	A482-G484 PolarHBondContact O-N 2.88Å; G484-G486 PolarHBondContact O-N 2.59Å
485	P	35	Very low	34.5	Very low	150 Å²	150	130.3 Å²	130.3	97%	0.974	78%	0.782	S	S	*	*	S	Bend	trans	-75.3	102.8	-167.8	29.6	-31.5	0	0	0	110.6
486	G	36.9	Very low	34.6	Very low	47 Å²	47	128.8 Å²	128.8	49%	0.485	77%	0.769	S	S	.	*			trans	158.8	82.2	173.4	0	0	0	0	0	112.5	G484 F488	G484-G486 PolarHBondContact O-N 2.59Å; G486-F488 WeakPolarHBondContact O-CD2 3.37Å; G486-F488 PolarHBondContact O-N 3.48Å
487	N	31	Very low	34.1	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	79%	0.785	S	S	*	*			trans	-73.6	110.3	169.9	-125.1	24.8	0	0	0	108.2
488	F	38.2	Very low	34	Very low	179 Å²	179	136.8 Å²	136.8	79%	0.785	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-101	119.2	176.3	-74.9	-84.5	0	0	0	110.5	G486	G486-F488 WeakPolarHBondContact O-CD2 3.37Å; G486-F488 PolarHBondContact O-N 3.48Å
489	F	34.1	Very low	33.6	Very low	187 Å²	187	132.6 Å²	132.6	82%	0.82	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-89.9	128.2	164.4	-97.1	-92.7	0	0	0	108.8
490	F	38	Very low	33.6	Very low	88 Å²	88	133.6 Å²	133.6	39%	0.386	77%	0.772	S	S	.	*	P	Polyproline II helix	trans	-87.1	128	169.3	-74	-87.2	0	0	0	109.3	L405 D410 F492	L405-F490 HydrophobicContact CD2-CE2 4.34Å; L405-F490 HydrophobicContact CD2-CZ 4.38Å; D410-F490 HydrophobicContact CB-CE1 4.25Å; F490-F492 HydrophobicContact CB-CE2 4.21Å
491	Q	28.9	Very low	33.7	Very low	183 Å²	183	129.9 Å²	129.9	86%	0.855	77%	0.769	S	S	*	*			trans	-103.7	105.7	175	-164.9	168.3	3.3	0	0	108.2	G493	Q491-G493 PolarHBondContact O-N 2.99Å
492	F	30.6	Very low	33.8	Very low	117 Å²	117	125 Å²	125	51%	0.513	76%	0.76	S	S	.	*			trans	-79.1	102.9	174.7	-70.7	-82.1	0	0	0	108.8	F468 F490	F468-F492 HydrophobicContact CE1-CE1 4.4Å; F468-F492 HydrophobicContact CE1-CZ 4.28Å; F490-F492 HydrophobicContact CB-CE2 4.21Å
493	G	30.9	Very low	34	Very low	134 Å²	134	129.6 Å²	129.6	100%	1.381	77%	0.773	S	S	*	*			trans	-93.3	0	167.4	0	0	0	0	0	112.1	Q491	Q491-G493 PolarHBondContact O-N 2.99Å

Retrieved 493 of 493 residues in 155.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).