A0A087YKH3_POEFO Loading...

Regulator of G protein signaling 7

AlphaFold DB , UniProt , Accession A0A087YKH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 459 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	29.3	Very low	249 Å²	249	141.6 Å²	141.6	100%	1.227	85%	0.845	S	S	*	*				0	104	0	-82.9	169.4	172.4	0	0	107.3
2	A	27.2	Very low	29.7	Very low	99 Å²	99	142.4 Å²	142.4	82%	0.818	84%	0.842	S	S	*	*			trans	-79.6	121	-175.4	0	0	0	0	0	109.9
3	Q	25.5	Very low	30	Very low	192 Å²	192	136.6 Å²	136.6	90%	0.897	83%	0.83	S	S	*	*			trans	-102.6	107.6	158.5	-82.5	179.9	-12	0	0	106.7	N5	Q3-N5 PolarHBondContact O-N 2.93Å
4	T	28.9	Very low	30.9	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	81%	0.805	S	S	*	*			trans	-71.4	116.6	174.1	29.5	0	0	0	0	110	I6	T4-I6 PolarHBondContact O-N 3Å
5	N	26.9	Very low	31.7	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	81%	0.808	S	S	*	*			trans	-58.6	119.7	165.9	-79.3	-32.8	0	0	0	110.3	Q3	Q3-N5 PolarHBondContact O-N 2.93Å
6	I	31.3	Very low	32.8	Very low	168 Å²	168	128.7 Å²	128.7	86%	0.862	79%	0.791	S	S	*	*			trans	-111.1	88.9	163	-57.3	174.9	0	0	0	106.1	T4	T4-I6 PolarHBondContact O-N 3Å
7	S	29.3	Very low	34.4	Very low	109 Å²	109	126.4 Å²	126.4	76%	0.762	77%	0.77	S	S	*	*			trans	-147.8	125.1	167.1	54.9	0	0	0	0	109.9
8	G	28.8	Very low	36.3	Very low	78 Å²	78	120.8 Å²	120.8	80%	0.804	74%	0.737	S	S	*	*			trans	99.3	52.9	160.4	0	0	0	0	0	117.5	G10	G8-G10 VanDerWaalsContact C-N 3.29Å; G8-G10 PolarHBondContact O-N 3.29Å
9	Q	28	Very low	38.2	Very low	197 Å²	197	117.6 Å²	117.6	92%	0.921	72%	0.718	S	S	*	*			trans	-79.6	88	149.4	-82.8	-173	-5.6	0	0	108.5	T11	Q9-T11 PolarHBondContact O-N 3.42Å
10	G	27.9	Very low	40.3	Very low	65 Å²	65	113.2 Å²	113.2	67%	0.67	69%	0.69	S	S	*	*			trans	-61.6	123.9	166.5	0	0	0	0	0	109.8	G8 N12	G8-G10 VanDerWaalsContact C-N 3.29Å; G8-G10 PolarHBondContact O-N 3.29Å; G10-N12 PolarHBondContact O-N 3.42Å
11	T	33.3	Very low	42.4	Very low	120 Å²	120	109.1 Å²	109.1	74%	0.736	66%	0.664	S	S	*	*			trans	-71.5	53.7	-177.6	51.7	0	0	0	0	113.2	Q9	Q9-T11 PolarHBondContact O-N 3.42Å
12	N	33.7	Very low	44.9	Very low	151 Å²	151	101.2 Å²	101.2	81%	0.807	63%	0.626	S	S	*	*			trans	-97.5	15.6	-179.5	-80.6	-6.4	0	0	0	114.4	G10	G10-N12 PolarHBondContact O-N 3.42Å
13	G	34.7	Very low	48	Very low	67 Å²	67	100 Å²	100	69%	0.691	61%	0.608	S	S	*	*	S	Bend	trans	-107.3	-4.4	175.6	0	0	0	0	0	116.3
14	V	41.9	Very low	51.2	Low	79 Å²	79	92.4 Å²	92.4	48%	0.479	57%	0.572	S	S	.	*			trans	-102.9	-4.2	-169.3	-168.1	0	0	0	0	113.1	D16	V14-D16 PolarHBondContact O-N 3.45Å
15	A	43.4	Very low	54.2	Low	102 Å²	102	90.7 Å²	90.7	84%	0.843	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	-170.6	0	0	0	0	0	115.2
16	D	49.6	Very low	57.5	Low	102 Å²	102	89.9 Å²	89.9	55%	0.545	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	10.2	-168.4	-133.7	31.2	0	0	0	114	V14	V14-D16 PolarHBondContact O-N 3.45Å
17	E	60.2	Low	60.6	Low	90 Å²	90	82.8 Å²	82.8	42%	0.421	50%	0.503	S	S	.	.	S	Bend	trans	-106.2	142.1	175.4	-69.5	-173.1	176.1	0	0	111.7	M21 R25	E17-M21 HydrophobicContact CB-CB 4.31Å; E17-M21 HydrophobicContact CB-CG 4.44Å; E17-R25 IonicContact OE2-CZ 3.46Å; E17-R25 IonicContact OE2-NE 2.89Å; E17-R25 IonicContact OE2-NH1 2.73Å; E17-R25 IonicContact OE2-NH2 2.78Å; E17-R25 PolarHBondContact OE2-NH2 2.91Å
18	S	68	Low	63.8	Low	25 Å²	25	79 Å²	79	18%	0.175	47%	0.474	C	S	.	.			trans	-53.6	138.9	175	168.7	0	0	0	0	110.2	N20 M21	S18-N20 PolarHBondContact O-N 3.04Å; S18-N20 PolarHBondContact OG-N 3.44Å; S18-M21 WeakPolarHBondContact O-CB 3.47Å; S18-M21 PolarHBondContact O-N 3Å
19	P	72.6	Confident	67.1	Low	60 Å²	60	81.3 Å²	81.3	39%	0.39	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-18.1	177.5	-25.9	34	0	0	0	114.3	I22 K216	P19-I22 WeakPolarHBondContact O-CG2 3.13Å; P19-K216 HydrophobicContact CB-CD 4.15Å; P19-K216 HydrophobicContact CG-CD 4.37Å; P19-K216 HydrophobicContact CG-CG 4.28Å
20	N	79.6	Confident	70.4	Confident	29 Å²	29	72.5 Å²	72.5	16%	0.155	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.5	178.4	-57.5	-20.7	0	0	0	112.3	S18 I22 V23 Y24 V212	S18-N20 PolarHBondContact O-N 3.04Å; S18-N20 PolarHBondContact OG-N 3.44Å; N20-I22 VanDerWaalsContact C-N 3.34Å; N20-I22 PolarHBondContact O-N 3.09Å; N20-V23 PolarHBondContact O-N 3.29Å; N20-V23 VanDerWaalsContact O-N 3.16Å; N20-Y24 HydrophobicContact CB-CE2 4.25Å; N20-Y24 PolarHBondContact O-N 3.33Å; N20-V212 WeakPolarHBondContact ND2-CG1 3.33Å
21	M	84.9	Confident	73.7	Confident	28 Å²	28	69.4 Å²	69.4	14%	0.138	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-33.7	-177	-70.6	-58.4	-59	0	0	113.5	E17 S18 V23 Y24 R25 S118	E17-M21 HydrophobicContact CB-CB 4.31Å; E17-M21 HydrophobicContact CB-CG 4.44Å; S18-M21 WeakPolarHBondContact O-CB 3.47Å; S18-M21 PolarHBondContact O-N 3Å; M21-V23 PolarHBondContact O-N 3.24Å; M21-Y24 PolarHBondContact O-N 3.39Å; M21-Y24 HydrophobicContact SD-CD2 3.91Å; M21-Y24 HydrophobicContact SD-CE2 4.48Å; M21-R25 WeakPolarHBondContact O-CG 3.48Å; M21-R25 PolarHBondContact O-N 3.44Å; M21-S118 WeakPolarHBondContact CE-O 3.47Å
22	I	87.6	Confident	76.8	Confident	84 Å²	84	66.6 Å²	66.6	43%	0.431	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-32.6	177.3	-166.4	171.1	0	0	0	111.5	P19 N20 K26	P19-I22 WeakPolarHBondContact O-CG2 3.13Å; N20-I22 VanDerWaalsContact C-N 3.34Å; N20-I22 PolarHBondContact O-N 3.09Å; I22-K26 WeakPolarHBondContact O-CG 3.41Å; I22-K26 PolarHBondContact O-N 3.34Å
23	V	91.8	Very high	79.8	Confident	74 Å²	74	65.1 Å²	65.1	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-44.9	178.3	-173.6	0	0	0	0	109.9	N20 M21 R25 K26 M27	N20-V23 PolarHBondContact O-N 3.29Å; N20-V23 VanDerWaalsContact O-N 3.16Å; M21-V23 PolarHBondContact O-N 3.24Å; V23-R25 PolarHBondContact O-N 3.47Å; V23-K26 PolarHBondContact O-N 2.94Å; V23-M27 HydrophobicContact CG1-CE 3.87Å; V23-M27 PolarHBondContact O-N 3.29Å
24	Y	92.8	Very high	82.9	Confident	32 Å²	32	62 Å²	62	13%	0.125	33%	0.33	C	S	.	.	H	α-helix	trans	-57.9	-46.9	174.4	-60.8	-33.2	0	0	0	112.3	N20 M21 K26 M27 E28 H88 Y90 P117	N20-Y24 HydrophobicContact CB-CE2 4.25Å; N20-Y24 PolarHBondContact O-N 3.33Å; M21-Y24 PolarHBondContact O-N 3.39Å; M21-Y24 HydrophobicContact SD-CD2 3.91Å; M21-Y24 HydrophobicContact SD-CE2 4.48Å; Y24-K26 VanDerWaalsContact C-N 3.34Å; Y24-K26 PolarHBondContact O-N 2.96Å; Y24-M27 HydrophobicContact CD1-CE 3.66Å; Y24-M27 HydrophobicContact CE1-CE 4.17Å; Y24-M27 PolarHBondContact O-N 2.73Å; Y24-M27 VanDerWaalsContact O-N 3.14Å; Y24-E28 WeakPolarHBondContact O-CB 3.44Å; Y24-E28 VanDerWaalsContact O-CG 3.24Å; Y24-E28 WeakPolarHBondContact O-CG 3.49Å; Y24-E28 PolarHBondContact O-N 3.31Å; Y24-H88 AromaticContact CE1-CD2 3.82Å; Y24-Y90 WeakPolarHBondContact CA-OH 3.36Å; Y24-Y90 WeakPolarHBondContact CB-OH 3.34Å; Y24-Y90 PolarHBondContact O-OH 3.34Å; Y24-P117 HydrophobicContact CD1-CB 4.3Å; Y24-P117 HydrophobicContact CD1-CG 3.83Å; Y24-P117 HydrophobicContact CE1-CB 3.99Å; Y24-P117 HydrophobicContact CE1-CG 3.91Å; Y24-P117 HydrophobicContact CE2-CB 4.22Å; Y24-P117 HydrophobicContact CG-CG 4.28Å
25	R	92.3	Very high	85.5	Confident	89 Å²	89	62.4 Å²	62.4	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-44.3	177	-75.1	-173.7	-79.5	160	-9.8	112.7	E17 M21 V23 M27 E28 E29	E17-R25 IonicContact OE2-CZ 3.46Å; E17-R25 IonicContact OE2-NE 2.89Å; E17-R25 IonicContact OE2-NH1 2.73Å; E17-R25 IonicContact OE2-NH2 2.78Å; E17-R25 PolarHBondContact OE2-NH2 2.91Å; M21-R25 WeakPolarHBondContact O-CG 3.48Å; M21-R25 PolarHBondContact O-N 3.44Å; V23-R25 PolarHBondContact O-N 3.47Å; R25-M27 PolarHBondContact O-N 3.34Å; R25-E28 PolarHBondContact O-N 3.21Å; R25-E29 WeakPolarHBondContact O-CG 3.46Å; R25-E29 PolarHBondContact O-N 3.24Å
26	K	95.2	Very high	88	Confident	139 Å²	139	61 Å²	61	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-40.3	176.4	-73.2	-178.3	175.4	-167.2	0	112.8	I22 V23 Y24 E28 L30	I22-K26 WeakPolarHBondContact O-CG 3.41Å; I22-K26 PolarHBondContact O-N 3.34Å; V23-K26 PolarHBondContact O-N 2.94Å; Y24-K26 VanDerWaalsContact C-N 3.34Å; Y24-K26 PolarHBondContact O-N 2.96Å; K26-E28 VanDerWaalsContact C-N 3.35Å; K26-L30 PolarHBondContact O-N 3.14Å
27	M	97	Very high	89.9	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-40	174.8	-72.9	-168.8	-83.2	0	0	111.3	V23 Y24 R25 L30 I31 M85 H88 Y90	V23-M27 HydrophobicContact CG1-CE 3.87Å; V23-M27 PolarHBondContact O-N 3.29Å; Y24-M27 HydrophobicContact CD1-CE 3.66Å; Y24-M27 HydrophobicContact CE1-CE 4.17Å; Y24-M27 PolarHBondContact O-N 2.73Å; Y24-M27 VanDerWaalsContact O-N 3.14Å; R25-M27 PolarHBondContact O-N 3.34Å; M27-L30 WeakPolarHBondContact O-CB 3.11Å; M27-L30 PolarHBondContact O-N 2.65Å; M27-I31 VanDerWaalsContact O-CG1 3.3Å; M27-I31 WeakPolarHBondContact O-CG1 3.46Å; M27-I31 PolarHBondContact O-N 2.85Å; M27-M85 HydrophobicContact CB-CE 4.4Å; M27-M85 HydrophobicContact CG-CG 4.27Å; M27-M85 HydrophobicContact SD-CG 4.12Å; M27-H88 HydrophobicContact CE-CB 4.11Å; M27-H88 HydrophobicContact SD-CB 4.28Å; M27-Y90 HydrophobicContact CB-CD2 3.97Å; M27-Y90 HydrophobicContact CB-CE2 3.51Å; M27-Y90 HydrophobicContact CE-CE2 3.75Å; M27-Y90 HydrophobicContact CG-CE2 4.21Å; M27-Y90 HydrophobicContact SD-CD2 4.02Å; M27-Y90 HydrophobicContact SD-CE2 3.7Å
28	E	96.9	Very high	91.4	Very high	30 Å²	30	69.9 Å²	69.9	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-68.3	-39.9	179.5	-72.1	166.6	-159.9	0	0	112.9	Y24 R25 K26 L30 I31 A32 Y90 W116 S118	Y24-E28 WeakPolarHBondContact O-CB 3.44Å; Y24-E28 VanDerWaalsContact O-CG 3.24Å; Y24-E28 WeakPolarHBondContact O-CG 3.49Å; Y24-E28 PolarHBondContact O-N 3.31Å; R25-E28 PolarHBondContact O-N 3.21Å; K26-E28 VanDerWaalsContact C-N 3.35Å; E28-L30 PolarHBondContact O-N 3Å; E28-I31 PolarHBondContact O-N 3.32Å; E28-A32 WeakPolarHBondContact O-CB 3.37Å; E28-A32 PolarHBondContact O-N 2.98Å; E28-Y90 HydrophobicContact CG-CD1 4.2Å; E28-Y90 HydrophobicContact CG-CE1 3.26Å; E28-Y90 WeakPolarHBondContact CG-OH 3.47Å; E28-Y90 PolarHBondContact OE1-OH 3.27Å; E28-W116 HydrophobicContact CB-CE3 4.26Å; E28-W116 HydrophobicContact CB-CH2 4.28Å; E28-W116 HydrophobicContact CB-CZ3 3.79Å; E28-W116 HydrophobicContact CG-CD2 4.07Å; E28-W116 HydrophobicContact CG-CE3 3.43Å; E28-W116 VanDerWaalsContact CG-CE3 3.43Å; E28-W116 HydrophobicContact CG-CH2 4.16Å; E28-W116 HydrophobicContact CG-CZ3 3.48Å; E28-W116 VanDerWaalsContact CG-CZ3 3.48Å; E28-S118 WeakPolarHBondContact OE1-CB 3.29Å; E28-S118 PolarHBondContact OE1-OG 2.85Å; E28-S118 PolarHBondContact OE2-OG 3.11Å
29	E	96.9	Very high	92.6	Very high	127 Å²	127	74 Å²	74	59%	0.593	36%	0.361	S	S	*	.	H	α-helix	trans	-58.6	-38.9	170.9	-75	170	-168.9	0	0	111.4	R25 A32 R33	R25-E29 WeakPolarHBondContact O-CG 3.46Å; R25-E29 PolarHBondContact O-N 3.24Å; E29-A32 PolarHBondContact O-N 3.48Å; E29-R33 WeakPolarHBondContact O-CG 3.4Å; E29-R33 PolarHBondContact O-N 2.79Å; E29-R33 VanDerWaalsContact O-N 3.16Å
30	L	97.7	Very high	93.6	Very high	11 Å²	11	72 Å²	72	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-68	-43	175.6	-171.1	60.5	0	0	0	111.6	K26 M27 E28 A32 R33 M34 W65 L66 L70 L81 M85	K26-L30 PolarHBondContact O-N 3.14Å; M27-L30 WeakPolarHBondContact O-CB 3.11Å; M27-L30 PolarHBondContact O-N 2.65Å; E28-L30 PolarHBondContact O-N 3Å; L30-A32 VanDerWaalsContact C-N 3.32Å; L30-A32 PolarHBondContact O-N 3.34Å; L30-R33 VanDerWaalsContact CD1-NH2 3.31Å; L30-R33 PolarHBondContact O-N 2.95Å; L30-M34 HydrophobicContact CD2-CE 4.47Å; L30-M34 HydrophobicContact CG-CE 4.18Å; L30-M34 WeakPolarHBondContact O-CG 3.27Å; L30-M34 PolarHBondContact O-N 3.09Å; L30-W65 HydrophobicContact CD1-CH2 3.82Å; L30-W65 HydrophobicContact CD1-CZ3 3.56Å; L30-W65 HydrophobicContact CG-CZ3 4.27Å; L30-L66 HydrophobicContact CD1-CD2 4.5Å; L30-L66 HydrophobicContact CD2-CD2 3.84Å; L30-L66 HydrophobicContact CG-CD2 4.43Å; L30-L70 HydrophobicContact CD1-CD1 4.19Å; L30-L70 HydrophobicContact CD1-CD2 3.94Å; L30-L70 HydrophobicContact CD1-CG 4.35Å; L30-L70 HydrophobicContact CD2-CD1 4.1Å; L30-L81 HydrophobicContact CD2-CD2 4.48Å; L30-M85 HydrophobicContact CB-CE 3.94Å; L30-M85 HydrophobicContact CD2-CE 3.68Å; L30-M85 HydrophobicContact CD2-SD 3.5Å; L30-M85 WeakPolarHBondContact CD2-SD 3.44Å; L30-M85 HydrophobicContact CG-CE 3.9Å; L30-M85 HydrophobicContact CG-SD 4.28Å
31	I	98.2	Very high	94.5	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-40.1	175	-68.2	-69	0	0	0	111.7	M27 E28 R33 M34 Q35 M85 Y90 F91 F110 W116	M27-I31 VanDerWaalsContact O-CG1 3.3Å; M27-I31 WeakPolarHBondContact O-CG1 3.46Å; M27-I31 PolarHBondContact O-N 2.85Å; E28-I31 PolarHBondContact O-N 3.32Å; I31-R33 VanDerWaalsContact C-N 3.33Å; I31-R33 PolarHBondContact O-N 2.88Å; I31-M34 HydrophobicContact CD1-SD 4.03Å; I31-M34 WeakPolarHBondContact O-CB 3.27Å; I31-M34 PolarHBondContact O-N 3.45Å; I31-Q35 WeakPolarHBondContact O-CG 3.41Å; I31-Q35 PolarHBondContact O-N 3.07Å; I31-M85 HydrophobicContact CD1-CE 3.59Å; I31-M85 HydrophobicContact CG1-CE 3.64Å; I31-Y90 HydrophobicContact CD1-CG 4.41Å; I31-Y90 HydrophobicContact CG1-CD1 4.11Å; I31-Y90 HydrophobicContact CG1-CG 4Å; I31-F91 HydrophobicContact CD1-CD1 3.85Å; I31-F91 HydrophobicContact CD1-CE1 4.37Å; I31-F110 HydrophobicContact CD1-CD1 4.16Å; I31-F110 HydrophobicContact CD1-CE1 4.04Å; I31-F110 HydrophobicContact CG2-CD1 4.28Å; I31-W116 HydrophobicContact CG2-CH2 4.45Å; I31-W116 HydrophobicContact CG2-CZ2 3.92Å
32	A	97.3	Very high	94.9	Very high	62 Å²	62	72.5 Å²	72.5	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-43	175.2	0	0	0	0	0	111.3	E28 E29 L30 Q35 D36	E28-A32 WeakPolarHBondContact O-CB 3.37Å; E28-A32 PolarHBondContact O-N 2.98Å; E29-A32 PolarHBondContact O-N 3.48Å; L30-A32 VanDerWaalsContact C-N 3.32Å; L30-A32 PolarHBondContact O-N 3.34Å; A32-Q35 PolarHBondContact O-N 2.96Å; A32-D36 PolarHBondContact O-N 3.16Å
33	R	98	Very high	95.2	Very high	119 Å²	119	72.8 Å²	72.8	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-38.8	174	-69.8	-170.1	-70.2	159.2	-7.8	112.7	E29 L30 I31 Q35 D36 W65	E29-R33 WeakPolarHBondContact O-CG 3.4Å; E29-R33 PolarHBondContact O-N 2.79Å; E29-R33 VanDerWaalsContact O-N 3.16Å; L30-R33 VanDerWaalsContact CD1-NH2 3.31Å; L30-R33 PolarHBondContact O-N 2.95Å; I31-R33 VanDerWaalsContact C-N 3.33Å; I31-R33 PolarHBondContact O-N 2.88Å; R33-Q35 PolarHBondContact O-N 3.35Å; R33-D36 WeakPolarHBondContact O-CB 3.29Å; R33-D36 PolarHBondContact O-N 3.24Å; R33-W65 HydrophobicContact CB-CH2 3.7Å; R33-W65 HydrophobicContact CB-CZ2 3.88Å
34	M	98.1	Very high	95.2	Very high	1 Å²	1	76.5 Å²	76.5	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-26.4	175.3	-72.1	178.1	170.1	0	0	112.8	L30 I31 G40 I41 I62 W65 L66 M85 F110	L30-M34 HydrophobicContact CD2-CE 4.47Å; L30-M34 HydrophobicContact CG-CE 4.18Å; L30-M34 WeakPolarHBondContact O-CG 3.27Å; L30-M34 PolarHBondContact O-N 3.09Å; I31-M34 HydrophobicContact CD1-SD 4.03Å; I31-M34 WeakPolarHBondContact O-CB 3.27Å; I31-M34 PolarHBondContact O-N 3.45Å; M34-G40 CarbonylContact O-C 3.5Å; M34-G40 WeakPolarHBondContact O-CA 3.44Å; M34-I41 HydrophobicContact CB-CD1 3.97Å; M34-I41 HydrophobicContact CB-CG1 4.24Å; M34-I41 HydrophobicContact CE-CD1 4.46Å; M34-I41 HydrophobicContact CG-CD1 3.84Å; M34-I41 HydrophobicContact CG-CG1 4.36Å; M34-I41 PolarHBondContact O-N 2.96Å; M34-I41 HydrophobicContact SD-CD1 3.97Å; M34-I62 HydrophobicContact CE-CG2 4.19Å; M34-W65 HydrophobicContact CB-CH2 4.44Å; M34-W65 HydrophobicContact CB-CZ2 4.49Å; M34-W65 HydrophobicContact CE-CE3 3.66Å; M34-W65 HydrophobicContact CE-CZ3 3.7Å; M34-W65 HydrophobicContact CG-CD2 3.97Å; M34-W65 HydrophobicContact CG-CE3 3.54Å; M34-W65 HydrophobicContact CG-CH2 3.62Å; M34-W65 HydrophobicContact CG-CZ2 4.03Å; M34-W65 HydrophobicContact CG-CZ3 3.35Å; M34-W65 HydrophobicContact SD-CE3 4.47Å; M34-W65 HydrophobicContact SD-CZ3 4.4Å; M34-L66 HydrophobicContact CE-CD1 4.26Å; M34-L66 HydrophobicContact CE-CD2 3.35Å; M34-L66 HydrophobicContact CE-CG 3.7Å; M34-M85 HydrophobicContact CE-CE 4.46Å; M34-M85 HydrophobicContact CE-SD 4.28Å; M34-M85 HydrophobicContact SD-CE 4.49Å; M34-F110 HydrophobicContact CB-CE1 4.1Å; M34-F110 HydrophobicContact CB-CZ 3.83Å; M34-F110 HydrophobicContact SD-CE1 4.3Å
35	Q	96.5	Very high	95.2	Very high	89 Å²	89	78.3 Å²	78.3	42%	0.416	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	3.3	178.4	-69.6	-178.1	48	0	0	113.6	I31 A32 R33 E37 F110	I31-Q35 WeakPolarHBondContact O-CG 3.41Å; I31-Q35 PolarHBondContact O-N 3.07Å; A32-Q35 PolarHBondContact O-N 2.96Å; R33-Q35 PolarHBondContact O-N 3.35Å; Q35-E37 PolarHBondContact O-N 3.32Å; Q35-F110 HydrophobicContact CG-CD1 4.32Å; Q35-F110 HydrophobicContact CG-CD2 3.57Å; Q35-F110 HydrophobicContact CG-CE1 4.23Å; Q35-F110 HydrophobicContact CG-CE2 3.47Å; Q35-F110 VanDerWaalsContact CG-CE2 3.47Å; Q35-F110 HydrophobicContact CG-CG 4.03Å; Q35-F110 HydrophobicContact CG-CZ 3.83Å
36	D	96	Very high	95	Very high	71 Å²	71	76.3 Å²	76.3	38%	0.38	38%	0.377	S	S	.	.			trans	-59.1	136.3	177.4	-178.3	-108.6	0	0	0	111.4	A32 R33 K38 N39 G40	A32-D36 PolarHBondContact O-N 3.16Å; R33-D36 WeakPolarHBondContact O-CB 3.29Å; R33-D36 PolarHBondContact O-N 3.24Å; D36-K38 PolarHBondContact O-N 2.92Å; D36-K38 PolarHBondContact OD1-N 2.75Å; D36-K38 VanDerWaalsContact OD1-N 3.14Å; D36-N39 WeakPolarHBondContact OD1-CB 3.33Å; D36-N39 PolarHBondContact OD1-N 2.66Å; D36-N39 PolarHBondContact OD1-ND2 3.09Å; D36-G40 WeakPolarHBondContact O-CA 3.24Å; D36-G40 PolarHBondContact O-N 3.48Å
37	E	90.4	Very high	94.7	Very high	192 Å²	192	77.4 Å²	77.4	90%	0.897	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.9	-173.6	-65.2	-176.3	166.7	0	0	113.4	Q35	Q35-E37 PolarHBondContact O-N 3.32Å
38	K	91.3	Very high	93.9	Very high	187 Å²	187	79.8 Å²	79.8	81%	0.813	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-41.7	-174.3	-65.7	-176.9	-178.3	178.2	0	112.6	D36	D36-K38 PolarHBondContact O-N 2.92Å; D36-K38 PolarHBondContact OD1-N 2.75Å; D36-K38 VanDerWaalsContact OD1-N 3.14Å
39	N	92.9	Very high	92.8	Very high	111 Å²	111	88.1 Å²	88.1	59%	0.594	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-1.8	-171	-51.8	-71.9	0	0	0	112.9	D36 W65	D36-N39 WeakPolarHBondContact OD1-CB 3.33Å; D36-N39 PolarHBondContact OD1-N 2.66Å; D36-N39 PolarHBondContact OD1-ND2 3.09Å; N39-W65 PolarHBondContact O-NE1 2.7Å
40	G	95	Very high	91.7	Very high	18 Å²	18	89.3 Å²	89.3	19%	0.186	45%	0.446	C	S	.	.	S	Bend	trans	-77	-174.4	180	0	0	0	0	0	114.1	M34 D36	M34-G40 CarbonylContact O-C 3.5Å; M34-G40 WeakPolarHBondContact O-CA 3.44Å; D36-G40 WeakPolarHBondContact O-CA 3.24Å; D36-G40 PolarHBondContact O-N 3.48Å
41	I	97.1	Very high	90.7	Very high	8 Å²	8	92 Å²	92	4%	0.041	46%	0.463	C	S	.	.			trans	-76.2	131.9	177.9	-60.4	176.6	0	0	0	108.7	M34 I43 F57 D61 I62 W65 F110	M34-I41 HydrophobicContact CB-CD1 3.97Å; M34-I41 HydrophobicContact CB-CG1 4.24Å; M34-I41 HydrophobicContact CE-CD1 4.46Å; M34-I41 HydrophobicContact CG-CD1 3.84Å; M34-I41 HydrophobicContact CG-CG1 4.36Å; M34-I41 PolarHBondContact O-N 2.96Å; M34-I41 HydrophobicContact SD-CD1 3.97Å; I41-I43 PolarHBondContact O-N 3.09Å; I41-F57 HydrophobicContact CG2-CB 3.66Å; I41-F57 HydrophobicContact CG2-CD2 4.13Å; I41-F57 HydrophobicContact CG2-CG 3.94Å; I41-D61 HydrophobicContact CG2-CB 3.88Å; I41-I62 HydrophobicContact CD1-CB 4.28Å; I41-I62 HydrophobicContact CD1-CG1 3.96Å; I41-I62 HydrophobicContact CD1-CG2 4.39Å; I41-W65 HydrophobicContact CD1-CB 4.19Å; I41-W65 HydrophobicContact CD1-CD2 4.5Å; I41-W65 HydrophobicContact CD1-CG 4.23Å; I41-W65 HydrophobicContact CG1-CB 3.8Å; I41-W65 HydrophobicContact CG1-CD2 4.12Å; I41-W65 HydrophobicContact CG1-CG 3.59Å; I41-F110 HydrophobicContact CD1-CZ 4.4Å
42	P	93.8	Very high	90.1	Very high	60 Å²	60	97.6 Å²	97.6	39%	0.39	49%	0.487	S	S	.	.			trans	-68.4	105.2	-177.2	27.3	-34.6	0	0	0	111.6
43	I	94.5	Very high	89.6	Confident	90 Å²	90	96 Å²	96	46%	0.462	47%	0.47	S	S	.	.			trans	-79.7	125.9	176.4	-54.7	178.7	0	0	0	109.9	I41 F57 F110	I41-I43 PolarHBondContact O-N 3.09Å; I43-F57 HydrophobicContact CG1-CD1 4.16Å; I43-F110 HydrophobicContact CD1-CD2 4.14Å; I43-F110 HydrophobicContact CD1-CE2 4.02Å; I43-F110 HydrophobicContact CG1-CE2 4.42Å
44	R	91.7	Very high	89.3	Confident	153 Å²	153	91.1 Å²	91.1	58%	0.577	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	161	-175	-59.1	-179.4	-171.1	176.8	4.9	112.3	S55 V56	R44-S55 PolarHBondContact O-N 3.15Å; R44-V56 PolarHBondContact N-O 3.26Å; R44-V56 PolarHBondContact O-N 3.44Å
45	T	92.1	Very high	89	Confident	70 Å²	70	93.8 Å²	93.8	43%	0.429	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.9	164.9	-66.1	0	0	0	0	108.8	K52 I53 P54	T45-K52 HydrophobicContact CG2-CD 4.27Å; T45-K52 HydrophobicContact CG2-CG 3.74Å; T45-I53 CarbonylContact C-O 3.25Å; T45-I53 WeakPolarHBondContact CA-O 3.38Å; T45-P54 HydrophobicContact CG2-CB 4.27Å
46	V	89.2	Confident	88.9	Confident	46 Å²	46	89.6 Å²	89.6	28%	0.279	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.7	-179.2	-177.7	0	0	0	0	109.3	K52 I53 V56 F107	V46-K52 WeakPolarHBondContact O-CA 3.45Å; V46-I53 PolarHBondContact N-O 3.15Å; V46-I53 PolarHBondContact O-N 3.11Å; V46-V56 HydrophobicContact CG2-CG2 3.81Å; V46-F107 HydrophobicContact CB-CZ 4.32Å; V46-F107 HydrophobicContact CG1-CE2 4.24Å; V46-F107 HydrophobicContact CG1-CZ 4Å; V46-F107 HydrophobicContact CG2-CD1 4.42Å; V46-F107 HydrophobicContact CG2-CE1 3.73Å; V46-F107 HydrophobicContact CG2-CE2 4.37Å; V46-F107 HydrophobicContact CG2-CZ 3.71Å
47	K	87.5	Confident	89	Confident	162 Å²	162	86.4 Å²	86.4	70%	0.704	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.5	177	-67.2	179.4	-176.3	175.1	0	109.3	K52	K47-K52 HydrophobicContact CG-CG 4.11Å
48	S	81.3	Confident	89.3	Confident	69 Å²	69	78 Å²	78	48%	0.483	40%	0.398	S	S	.	.			trans	-125	171.8	168.8	68.4	0	0	0	0	109.7	L50 T51	S48-L50 PolarHBondContact O-N 2.64Å; S48-L50 VanDerWaalsContact O-N 3.09Å; S48-T51 PolarHBondContact N-O 2.87Å; S48-T51 PolarHBondContact O-N 2.87Å; S48-T51 PolarHBondContact OG-N 3.48Å; S48-T51 PolarHBondContact OG-O 3.04Å; S48-T51 VanDerWaalsContact OG-O 3.1Å; S48-T51 PolarHBondContact OG-OG1 3.22Å
49	F	73.8	Confident	89.6	Confident	205 Å²	205	69 Å²	69	90%	0.899	36%	0.359	S	S	*	.	S	Bend	trans	-53.6	-31.4	-177.5	-174.6	-109.5	0	0	0	113.8
50	L	72.4	Confident	89.9	Confident	151 Å²	151	65.6 Å²	65.6	79%	0.791	34%	0.343	S	S	*	.	S	Bend	trans	-115.6	-13.8	-177	-65.7	172.5	0	0	0	114.5	S48	S48-L50 PolarHBondContact O-N 2.64Å; S48-L50 VanDerWaalsContact O-N 3.09Å
51	T	78	Confident	90	Very high	68 Å²	68	66.9 Å²	66.9	42%	0.417	35%	0.346	S	S	.	.			trans	-143.5	139.8	-173	64.3	0	0	0	0	113.4	S48	S48-T51 PolarHBondContact N-O 2.87Å; S48-T51 PolarHBondContact O-N 2.87Å; S48-T51 PolarHBondContact OG-N 3.48Å; S48-T51 PolarHBondContact OG-O 3.04Å; S48-T51 VanDerWaalsContact OG-O 3.1Å; S48-T51 PolarHBondContact OG-OG1 3.22Å
52	K	85.3	Confident	90.1	Very high	117 Å²	117	66.5 Å²	66.5	51%	0.509	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.3	166.2	-177.7	178.2	178.4	-171.1	0	108.1	T45 V46 K47	T45-K52 HydrophobicContact CG2-CD 4.27Å; T45-K52 HydrophobicContact CG2-CG 3.74Å; V46-K52 WeakPolarHBondContact O-CA 3.45Å; K47-K52 HydrophobicContact CG-CG 4.11Å
53	I	86.8	Confident	90.3	Very high	28 Å²	28	63.6 Å²	63.6	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	103	-179.1	-52.7	-179.7	0	0	0	108	T45 V46 V56 I94	T45-I53 CarbonylContact C-O 3.25Å; T45-I53 WeakPolarHBondContact CA-O 3.38Å; V46-I53 PolarHBondContact N-O 3.15Å; V46-I53 PolarHBondContact O-N 3.11Å; I53-V56 HydrophobicContact CG2-CG1 3.63Å; I53-V56 HydrophobicContact CG2-CG2 4.27Å; I53-I94 HydrophobicContact CD1-CD1 3.98Å; I53-I94 HydrophobicContact CG2-CD1 3.68Å
54	P	91.3	Very high	90.5	Very high	18 Å²	18	64.2 Å²	64.2	12%	0.117	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	158.9	179	30.9	-29.2	0	0	0	112.2	T45 R109 I184 I188	T45-P54 HydrophobicContact CG2-CB 4.27Å; P54-R109 PolarHBondContact O-NH2 2.72Å; P54-I184 HydrophobicContact CG-CG2 3.53Å; P54-I188 HydrophobicContact CG-CD1 4.29Å
55	S	91.1	Very high	90.8	Very high	56 Å²	56	57.9 Å²	57.9	39%	0.392	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.6	61.2	170.5	-49.5	0	0	0	0	113	R44 R109	R44-S55 PolarHBondContact O-N 3.15Å; S55-R109 PolarHBondContact O-NE 2.83Å; S55-R109 VanDerWaalsContact O-NE 3.16Å
56	V	95.6	Very high	91.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.1	177.2	-65	0	0	0	0	111.9	R44 V46 I53 I94 F107 Y108	R44-V56 PolarHBondContact N-O 3.26Å; R44-V56 PolarHBondContact O-N 3.44Å; V46-V56 HydrophobicContact CG2-CG2 3.81Å; I53-V56 HydrophobicContact CG2-CG1 3.63Å; I53-V56 HydrophobicContact CG2-CG2 4.27Å; V56-I94 HydrophobicContact CG1-CD1 4.18Å; V56-I94 HydrophobicContact CG1-CG2 4Å; V56-F107 HydrophobicContact CB-CB 4.16Å; V56-F107 HydrophobicContact CB-CD1 4.32Å; V56-F107 HydrophobicContact CB-CG 4.44Å; V56-F107 HydrophobicContact CG1-CB 4.4Å; V56-F107 HydrophobicContact CG2-CB 4.48Å; V56-F107 HydrophobicContact CG2-CD1 3.99Å; V56-F107 HydrophobicContact CG2-CG 4.26Å; V56-Y108 VanDerWaalsContact CA-O 3.28Å; V56-Y108 WeakPolarHBondContact CA-O 3.42Å
57	F	97.3	Very high	91.6	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.5	175.4	40.5	-87.3	0	0	0	108.8	I41 I43 I62 F91 F107 Y108 F110	I41-F57 HydrophobicContact CG2-CB 3.66Å; I41-F57 HydrophobicContact CG2-CD2 4.13Å; I41-F57 HydrophobicContact CG2-CG 3.94Å; I43-F57 HydrophobicContact CG1-CD1 4.16Å; F57-I62 HydrophobicContact CD2-CD1 3.68Å; F57-I62 HydrophobicContact CD2-CG1 3.64Å; F57-I62 HydrophobicContact CE2-CD1 3.54Å; F57-I62 HydrophobicContact CE2-CG1 3.8Å; F57-F91 HydrophobicContact CZ-CB 4.29Å; F57-F107 WeakPolarHBondContact O-CA 3.32Å; F57-Y108 PolarHBondContact N-O 3.36Å; F57-Y108 PolarHBondContact O-N 2.99Å; F57-F110 HydrophobicContact CD1-CD2 4.38Å; F57-F110 HydrophobicContact CD1-CE2 4.06Å; F57-F110 HydrophobicContact CE1-CD1 4.35Å; F57-F110 AromaticContact CE1-CD2 3.36Å; F57-F110 HydrophobicContact CE1-CD2 3.36Å; F57-F110 HydrophobicContact CE1-CE1 4.34Å; F57-F110 AromaticContact CE1-CE2 3.33Å; F57-F110 HydrophobicContact CE1-CE2 3.33Å; F57-F110 AromaticContact CE1-CG 3.88Å; F57-F110 HydrophobicContact CE1-CG 3.88Å; F57-F110 AromaticContact CE1-CZ 3.85Å; F57-F110 HydrophobicContact CE1-CZ 3.85Å; F57-F110 HydrophobicContact CE2-CE1 4.35Å; F57-F110 HydrophobicContact CE2-CZ 4.21Å; F57-F110 AromaticContact CZ-CD1 3.82Å; F57-F110 HydrophobicContact CZ-CD1 3.82Å; F57-F110 AromaticContact CZ-CD2 3.69Å; F57-F110 HydrophobicContact CZ-CD2 3.69Å; F57-F110 AromaticContact CZ-CE1 3.73Å; F57-F110 HydrophobicContact CZ-CE1 3.73Å; F57-F110 AromaticContact CZ-CE2 3.6Å; F57-F110 HydrophobicContact CZ-CE2 3.6Å; F57-F110 AromaticContact CZ-CG 3.78Å; F57-F110 HydrophobicContact CZ-CG 3.78Å; F57-F110 AromaticContact CZ-CZ 3.61Å; F57-F110 HydrophobicContact CZ-CZ 3.61Å
58	S	97.6	Very high	92	Very high	15 Å²	15	54.9 Å²	54.9	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	156.1	-178.7	70.9	0	0	0	0	111.7	S60 D61 I62 T106	S58-S60 VanDerWaalsContact C-N 3.3Å; S58-S60 PolarHBondContact O-N 3.15Å; S58-S60 PolarHBondContact OG-OG 3.29Å; S58-S60 VanDerWaalsContact OG-OG 3.05Å; S58-D61 WeakPolarHBondContact CB-OD2 3.39Å; S58-D61 PolarHBondContact N-OD2 3.29Å; S58-D61 PolarHBondContact O-N 3.42Å; S58-D61 PolarHBondContact OG-N 3.03Å; S58-D61 VanDerWaalsContact OG-N 3.15Å; S58-D61 PolarHBondContact OG-OD2 3.21Å; S58-I62 PolarHBondContact O-N 3.2Å; S58-T106 CarbonylContact C-O 3.5Å; S58-T106 WeakPolarHBondContact CA-O 3.49Å
59	G	98.1	Very high	92.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-41.5	174.5	0	0	0	0	0	112.2	D61 I62 V63 K102 D104 T106	G59-D61 VanDerWaalsContact C-N 3.3Å; G59-D61 PolarHBondContact O-N 2.9Å; G59-I62 WeakPolarHBondContact O-CB 3.42Å; G59-I62 PolarHBondContact O-N 3.44Å; G59-V63 PolarHBondContact O-N 2.89Å; G59-V63 VanDerWaalsContact O-N 3.15Å; G59-K102 CarbonylContact C-O 3.57Å; G59-K102 VanDerWaalsContact CA-O 3.25Å; G59-K102 WeakPolarHBondContact CA-O 3.33Å; G59-D104 PolarHBondContact N-O 2.65Å; G59-T106 PolarHBondContact N-O 3.37Å
60	S	98.1	Very high	94	Very high	38 Å²	38	47.5 Å²	47.5	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-35.1	174.3	55.7	0	0	0	0	113.8	S58 I62 V63 Q64 D103 D104	S58-S60 VanDerWaalsContact C-N 3.3Å; S58-S60 PolarHBondContact O-N 3.15Å; S58-S60 PolarHBondContact OG-OG 3.29Å; S58-S60 VanDerWaalsContact OG-OG 3.05Å; S60-I62 VanDerWaalsContact C-N 3.27Å; S60-I62 PolarHBondContact O-N 3.37Å; S60-V63 PolarHBondContact O-N 2.9Å; S60-Q64 WeakPolarHBondContact O-CB 3.33Å; S60-Q64 VanDerWaalsContact O-CG 3.25Å; S60-Q64 WeakPolarHBondContact O-CG 3.34Å; S60-Q64 PolarHBondContact O-N 3.33Å; S60-D103 WeakPolarHBondContact CA-OD1 3.25Å; S60-D103 VanDerWaalsContact CB-OD1 3.28Å; S60-D103 WeakPolarHBondContact CB-OD1 3.44Å; S60-D104 PolarHBondContact N-O 3.12Å; S60-D104 VanDerWaalsContact N-O 3.09Å
61	D	98.1	Very high	95.1	Very high	45 Å²	45	47.2 Å²	47.2	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-35.2	175.6	-64.2	-46.3	0	0	0	111.4	I41 S58 G59 W65	I41-D61 HydrophobicContact CG2-CB 3.88Å; S58-D61 WeakPolarHBondContact CB-OD2 3.39Å; S58-D61 PolarHBondContact N-OD2 3.29Å; S58-D61 PolarHBondContact O-N 3.42Å; S58-D61 PolarHBondContact OG-N 3.03Å; S58-D61 VanDerWaalsContact OG-N 3.15Å; S58-D61 PolarHBondContact OG-OD2 3.21Å; G59-D61 VanDerWaalsContact C-N 3.3Å; G59-D61 PolarHBondContact O-N 2.9Å; D61-W65 WeakPolarHBondContact O-CB 3.3Å; D61-W65 PolarHBondContact O-N 2.77Å
62	I	98.5	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.4	-48.6	178.2	-56.1	163.8	0	0	0	110.2	M34 I41 F57 S58 G59 S60 W65 L66 F91 L101 Y108	M34-I62 HydrophobicContact CE-CG2 4.19Å; I41-I62 HydrophobicContact CD1-CB 4.28Å; I41-I62 HydrophobicContact CD1-CG1 3.96Å; I41-I62 HydrophobicContact CD1-CG2 4.39Å; F57-I62 HydrophobicContact CD2-CD1 3.68Å; F57-I62 HydrophobicContact CD2-CG1 3.64Å; F57-I62 HydrophobicContact CE2-CD1 3.54Å; F57-I62 HydrophobicContact CE2-CG1 3.8Å; S58-I62 PolarHBondContact O-N 3.2Å; G59-I62 WeakPolarHBondContact O-CB 3.42Å; G59-I62 PolarHBondContact O-N 3.44Å; S60-I62 VanDerWaalsContact C-N 3.27Å; S60-I62 PolarHBondContact O-N 3.37Å; I62-W65 PolarHBondContact O-N 2.87Å; I62-L66 HydrophobicContact CG2-CD1 4.06Å; I62-L66 HydrophobicContact CG2-CG 4.49Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 3.13Å; I62-F91 HydrophobicContact CD1-CD2 4.09Å; I62-F91 HydrophobicContact CD1-CE2 3.87Å; I62-F91 HydrophobicContact CD1-CZ 4.36Å; I62-F91 HydrophobicContact CG2-CE1 4.48Å; I62-F91 HydrophobicContact CG2-CZ 4.05Å; I62-L101 HydrophobicContact CB-CD1 4.26Å; I62-L101 HydrophobicContact CB-CD2 4.24Å; I62-L101 HydrophobicContact CD1-CD1 3.65Å; I62-L101 HydrophobicContact CG2-CD2 3.89Å; I62-Y108 HydrophobicContact CD1-CD2 3.95Å; I62-Y108 HydrophobicContact CD1-CG 3.87Å
63	V	98.6	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-49	-179.2	178.6	0	0	0	0	110.5	G59 S60 W65 L66 M67 Q75 A78 L79 L101 D103	G59-V63 PolarHBondContact O-N 2.89Å; G59-V63 VanDerWaalsContact O-N 3.15Å; S60-V63 PolarHBondContact O-N 2.9Å; V63-W65 VanDerWaalsContact C-N 3.32Å; V63-W65 PolarHBondContact O-N 3.24Å; V63-L66 PolarHBondContact O-N 3.13Å; V63-M67 HydrophobicContact CG1-SD 4.23Å; V63-M67 WeakPolarHBondContact O-CG 3.27Å; V63-M67 PolarHBondContact O-N 3.4Å; V63-Q75 HydrophobicContact CG1-CG 4.06Å; V63-A78 HydrophobicContact CG1-CB 4.25Å; V63-L79 HydrophobicContact CG2-CB 4.46Å; V63-L79 HydrophobicContact CG2-CD1 3.94Å; V63-L101 HydrophobicContact CG2-CD2 3.74Å; V63-L101 HydrophobicContact CG2-CG 4.25Å; V63-D103 HydrophobicContact CG2-CB 4.01Å
64	Q	98.1	Very high	97.2	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-37.2	178.9	-66.4	-58.2	-39.7	0	0	112.4	S60 K68	S60-Q64 WeakPolarHBondContact O-CB 3.33Å; S60-Q64 VanDerWaalsContact O-CG 3.25Å; S60-Q64 WeakPolarHBondContact O-CG 3.34Å; S60-Q64 PolarHBondContact O-N 3.33Å; Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 2.9Å; Q64-K68 VanDerWaalsContact O-N 3.09Å
65	W	98.4	Very high	97.5	Very high	21 Å²	21	54.6 Å²	54.6	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-41.9	175.3	-172.5	98.5	0	0	0	111.7	L30 R33 M34 N39 I41 D61 I62 V63 N69	L30-W65 HydrophobicContact CD1-CH2 3.82Å; L30-W65 HydrophobicContact CD1-CZ3 3.56Å; L30-W65 HydrophobicContact CG-CZ3 4.27Å; R33-W65 HydrophobicContact CB-CH2 3.7Å; R33-W65 HydrophobicContact CB-CZ2 3.88Å; M34-W65 HydrophobicContact CB-CH2 4.44Å; M34-W65 HydrophobicContact CB-CZ2 4.49Å; M34-W65 HydrophobicContact CE-CE3 3.66Å; M34-W65 HydrophobicContact CE-CZ3 3.7Å; M34-W65 HydrophobicContact CG-CD2 3.97Å; M34-W65 HydrophobicContact CG-CE3 3.54Å; M34-W65 HydrophobicContact CG-CH2 3.62Å; M34-W65 HydrophobicContact CG-CZ2 4.03Å; M34-W65 HydrophobicContact CG-CZ3 3.35Å; M34-W65 HydrophobicContact SD-CE3 4.47Å; M34-W65 HydrophobicContact SD-CZ3 4.4Å; N39-W65 PolarHBondContact O-NE1 2.7Å; I41-W65 HydrophobicContact CD1-CB 4.19Å; I41-W65 HydrophobicContact CD1-CD2 4.5Å; I41-W65 HydrophobicContact CD1-CG 4.23Å; I41-W65 HydrophobicContact CG1-CB 3.8Å; I41-W65 HydrophobicContact CG1-CD2 4.12Å; I41-W65 HydrophobicContact CG1-CG 3.59Å; D61-W65 WeakPolarHBondContact O-CB 3.3Å; D61-W65 PolarHBondContact O-N 2.77Å; I62-W65 PolarHBondContact O-N 2.87Å; V63-W65 VanDerWaalsContact C-N 3.32Å; V63-W65 PolarHBondContact O-N 3.24Å; W65-N69 HydrophobicContact CD2-CB 4.31Å; W65-N69 HydrophobicContact CE3-CB 4.26Å; W65-N69 HydrophobicContact CH2-CB 4.01Å; W65-N69 HydrophobicContact CZ2-CB 4.06Å; W65-N69 HydrophobicContact CZ3-CB 4.12Å; W65-N69 PolarHBondContact NE1-ND2 3.19Å; W65-N69 WeakPolarHBondContact O-CB 3.5Å; W65-N69 PolarHBondContact O-N 3.44Å; W65-N69 PolarHBondContact O-ND2 3.35Å
66	L	98.5	Very high	97.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-50.5	176.6	-75.5	170.4	0	0	0	111.6	L30 M34 I62 V63 K68 N69 L70 A78 L81	L30-L66 HydrophobicContact CD1-CD2 4.5Å; L30-L66 HydrophobicContact CD2-CD2 3.84Å; L30-L66 HydrophobicContact CG-CD2 4.43Å; M34-L66 HydrophobicContact CE-CD1 4.26Å; M34-L66 HydrophobicContact CE-CD2 3.35Å; M34-L66 HydrophobicContact CE-CG 3.7Å; I62-L66 HydrophobicContact CG2-CD1 4.06Å; I62-L66 HydrophobicContact CG2-CG 4.49Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 3.13Å; V63-L66 PolarHBondContact O-N 3.13Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.91Å; L66-N69 PolarHBondContact O-N 3.25Å; L66-L70 HydrophobicContact CD2-CD1 3.72Å; L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 3.15Å; L66-A78 HydrophobicContact CB-CB 4.17Å; L66-A78 WeakPolarHBondContact CD1-O 3.41Å; L66-L81 HydrophobicContact CD2-CD2 4.22Å
67	M	98.4	Very high	98	Very high	40 Å²	40	62 Å²	62	20%	0.197	31%	0.312	C	S	.	.	H	α-helix	trans	-55	-48.2	178.1	-68.4	-179.9	76.3	0	0	111.6	V63 D71 I72 Q75 A78	V63-M67 HydrophobicContact CG1-SD 4.23Å; V63-M67 WeakPolarHBondContact O-CG 3.27Å; V63-M67 PolarHBondContact O-N 3.4Å; M67-D71 WeakPolarHBondContact O-CA 3.28Å; M67-D71 PolarHBondContact O-N 3.35Å; M67-D71 VanDerWaalsContact O-N 3.09Å; M67-I72 PolarHBondContact O-N 2.97Å; M67-I72 VanDerWaalsContact O-N 3.11Å; M67-Q75 HydrophobicContact CE-CB 4.07Å; M67-Q75 HydrophobicContact SD-CB 3.98Å; M67-Q75 HydrophobicContact SD-CG 4.08Å; M67-A78 HydrophobicContact CG-CB 3.48Å; M67-A78 VanDerWaalsContact CG-CB 3.48Å
68	K	97.7	Very high	98	Very high	174 Å²	174	61.8 Å²	61.8	76%	0.757	31%	0.311	S	S	*	.	H	α-helix	trans	-68.2	-43.4	-178.4	-177.3	-178.7	175.8	-175.7	0	113.8	Q64 L66	Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 2.9Å; Q64-K68 VanDerWaalsContact O-N 3.09Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.91Å
69	N	97.7	Very high	98.1	Very high	62 Å²	62	63.4 Å²	63.4	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-90.8	-13	-170.7	-71.8	-88.7	0	0	0	113.8	W65 L66	W65-N69 HydrophobicContact CD2-CB 4.31Å; W65-N69 HydrophobicContact CE3-CB 4.26Å; W65-N69 HydrophobicContact CH2-CB 4.01Å; W65-N69 HydrophobicContact CZ2-CB 4.06Å; W65-N69 HydrophobicContact CZ3-CB 4.12Å; W65-N69 PolarHBondContact NE1-ND2 3.19Å; W65-N69 WeakPolarHBondContact O-CB 3.5Å; W65-N69 PolarHBondContact O-N 3.44Å; W65-N69 PolarHBondContact O-ND2 3.35Å; L66-N69 PolarHBondContact O-N 3.25Å
70	L	97.5	Very high	98.1	Very high	57 Å²	57	68.8 Å²	68.8	30%	0.298	34%	0.343	S	S	.	.	H	α-helix	trans	-114.3	1	176.5	-58.6	-178.7	0	0	0	113.3	L30 L66 I72 L81	L30-L70 HydrophobicContact CD1-CD1 4.19Å; L30-L70 HydrophobicContact CD1-CD2 3.94Å; L30-L70 HydrophobicContact CD1-CG 4.35Å; L30-L70 HydrophobicContact CD2-CD1 4.1Å; L66-L70 HydrophobicContact CD2-CD1 3.72Å; L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 3.15Å; L70-I72 VanDerWaalsContact C-N 3.32Å; L70-I72 HydrophobicContact CB-CD1 3.87Å; L70-I72 HydrophobicContact CB-CG1 3.85Å; L70-I72 HydrophobicContact CD1-CD1 4.03Å; L70-I72 PolarHBondContact O-N 3.43Å; L70-L81 HydrophobicContact CD1-CD2 3.55Å
71	D	97.1	Very high	98.1	Very high	145 Å²	145	69.6 Å²	69.6	78%	0.775	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	44.5	-178.8	-155.5	34.2	0	0	0	112.3	M67	M67-D71 WeakPolarHBondContact O-CA 3.28Å; M67-D71 PolarHBondContact O-N 3.35Å; M67-D71 VanDerWaalsContact O-N 3.09Å
72	I	98.1	Very high	98.2	Very high	20 Å²	20	67.4 Å²	67.4	10%	0.103	33%	0.332	C	S	.	.			trans	-90.8	116	179.1	-58.7	169	0	0	0	108.5	M67 L70 D74 E77 A78 L81	M67-I72 PolarHBondContact O-N 2.97Å; M67-I72 VanDerWaalsContact O-N 3.11Å; L70-I72 VanDerWaalsContact C-N 3.32Å; L70-I72 HydrophobicContact CB-CD1 3.87Å; L70-I72 HydrophobicContact CB-CG1 3.85Å; L70-I72 HydrophobicContact CD1-CD1 4.03Å; L70-I72 PolarHBondContact O-N 3.43Å; I72-D74 WeakPolarHBondContact CG2-O 3.37Å; I72-E77 HydrophobicContact CG2-CB 3.79Å; I72-E77 HydrophobicContact CG2-CG 3.95Å; I72-A78 HydrophobicContact CB-CB 4.43Å; I72-A78 HydrophobicContact CD1-CB 4.12Å; I72-A78 HydrophobicContact CG2-CB 4.11Å; I72-L81 HydrophobicContact CD1-CD2 4.26Å
73	E	97.2	Very high	98.2	Very high	184 Å²	184	69 Å²	69	86%	0.86	34%	0.342	S	S	*	.			trans	-75	-41.8	178.9	-62.9	-175.5	175.5	0	0	112.3
74	D	97.9	Very high	98.2	Very high	86 Å²	86	72.4 Å²	72.4	46%	0.46	36%	0.36	S	S	.	.			trans	-86.1	115.3	-179.9	-175.1	3.2	0	0	0	111.7	I72 V76 E77 A78	I72-D74 WeakPolarHBondContact CG2-O 3.37Å; D74-V76 PolarHBondContact O-N 3.08Å; D74-V76 WeakPolarHBondContact OD1-CB 3.47Å; D74-V76 PolarHBondContact OD1-N 3.15Å; D74-E77 HydrophobicContact CB-CB 4.26Å; D74-E77 WeakPolarHBondContact O-CB 3.47Å; D74-E77 PolarHBondContact O-N 2.91Å; D74-E77 VanDerWaalsContact O-N 3.07Å; D74-A78 PolarHBondContact O-N 3.03Å
75	Q	98	Very high	98.2	Very high	96 Å²	96	67.6 Å²	67.6	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-56.1	-32.4	175.8	-175.1	-178.7	-16.5	0	0	112.7	V63 M67 A78 L79 D103	V63-Q75 HydrophobicContact CG1-CG 4.06Å; M67-Q75 HydrophobicContact CE-CB 4.07Å; M67-Q75 HydrophobicContact SD-CB 3.98Å; M67-Q75 HydrophobicContact SD-CG 4.08Å; Q75-A78 PolarHBondContact O-N 3.19Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 PolarHBondContact O-N 3Å; Q75-D103 PolarHBondContact NE2-OD2 3.1Å
76	V	98.3	Very high	98.2	Very high	99 Å²	99	66.6 Å²	66.6	60%	0.6	33%	0.334	S	S	*	.	H	α-helix	trans	-67.1	-38.2	178.3	-179.2	0	0	0	0	111	D74 L79 H80	D74-V76 PolarHBondContact O-N 3.08Å; D74-V76 WeakPolarHBondContact OD1-CB 3.47Å; D74-V76 PolarHBondContact OD1-N 3.15Å; V76-L79 PolarHBondContact O-N 3.02Å; V76-H80 VanDerWaalsContact O-CB 3.26Å; V76-H80 WeakPolarHBondContact O-CB 3.47Å; V76-H80 PolarHBondContact O-N 2.74Å
77	E	98.6	Very high	98.2	Very high	114 Å²	114	67.7 Å²	67.7	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-45.3	175.4	179.5	177.7	-169.9	0	0	111.1	I72 D74 H80 L81	I72-E77 HydrophobicContact CG2-CB 3.79Å; I72-E77 HydrophobicContact CG2-CG 3.95Å; D74-E77 HydrophobicContact CB-CB 4.26Å; D74-E77 WeakPolarHBondContact O-CB 3.47Å; D74-E77 PolarHBondContact O-N 2.91Å; D74-E77 VanDerWaalsContact O-N 3.07Å; E77-H80 PolarHBondContact O-N 3.36Å; E77-L81 PolarHBondContact O-N 3.3Å
78	A	98.5	Very high	98.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-44	177.4	0	0	0	0	0	112	V63 L66 M67 I72 D74 Q75 H80 L81 G82	V63-A78 HydrophobicContact CG1-CB 4.25Å; L66-A78 HydrophobicContact CB-CB 4.17Å; L66-A78 WeakPolarHBondContact CD1-O 3.41Å; M67-A78 HydrophobicContact CG-CB 3.48Å; M67-A78 VanDerWaalsContact CG-CB 3.48Å; I72-A78 HydrophobicContact CB-CB 4.43Å; I72-A78 HydrophobicContact CD1-CB 4.12Å; I72-A78 HydrophobicContact CG2-CB 4.11Å; D74-A78 PolarHBondContact O-N 3.03Å; Q75-A78 PolarHBondContact O-N 3.19Å; A78-H80 VanDerWaalsContact C-N 3.34Å; A78-H80 PolarHBondContact O-N 3.16Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-G82 PolarHBondContact O-N 3.26Å
79	L	98.6	Very high	98.2	Very high	48 Å²	48	59.3 Å²	59.3	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-40.3	175.4	178.8	60	0	0	0	111.9	V63 Q75 V76 T83 L101 D103	V63-L79 HydrophobicContact CG2-CB 4.46Å; V63-L79 HydrophobicContact CG2-CD1 3.94Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 PolarHBondContact O-N 3Å; V76-L79 PolarHBondContact O-N 3.02Å; L79-T83 WeakPolarHBondContact O-CB 3.23Å; L79-T83 PolarHBondContact O-N 2.9Å; L79-T83 PolarHBondContact O-OG1 2.96Å; L79-L101 HydrophobicContact CD1-CB 4.03Å; L79-L101 HydrophobicContact CD1-CD2 4.04Å; L79-L101 HydrophobicContact CD1-CG 3.72Å; L79-L101 WeakPolarHBondContact CD1-O 3.35Å; L79-D103 HydrophobicContact CD1-CB 4.29Å
80	H	98.7	Very high	98.2	Very high	113 Å²	113	56.4 Å²	56.4	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-47.8	177.2	-176.3	65.7	0	0	0	111.7	V76 E77 A78 G82 T83 L84	V76-H80 VanDerWaalsContact O-CB 3.26Å; V76-H80 WeakPolarHBondContact O-CB 3.47Å; V76-H80 PolarHBondContact O-N 2.74Å; E77-H80 PolarHBondContact O-N 3.36Å; A78-H80 VanDerWaalsContact C-N 3.34Å; A78-H80 PolarHBondContact O-N 3.16Å; H80-G82 VanDerWaalsContact C-N 3.35Å; H80-G82 PolarHBondContact O-N 2.95Å; H80-T83 WeakPolarHBondContact O-CB 3.47Å; H80-T83 PolarHBondContact O-N 3.36Å; H80-T83 VanDerWaalsContact O-N 3.16Å; H80-L84 WeakPolarHBondContact O-CG 3.25Å; H80-L84 PolarHBondContact O-N 3.18Å
81	L	98.6	Very high	98.3	Very high	55 Å²	55	53.7 Å²	53.7	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-46.9	175.6	176.3	60.2	0	0	0	111.3	L30 L66 L70 I72 E77 A78 T83 L84 M85	L30-L81 HydrophobicContact CD2-CD2 4.48Å; L66-L81 HydrophobicContact CD2-CD2 4.22Å; L70-L81 HydrophobicContact CD1-CD2 3.55Å; I72-L81 HydrophobicContact CD1-CD2 4.26Å; E77-L81 PolarHBondContact O-N 3.3Å; A78-L81 PolarHBondContact O-N 3.14Å; L81-T83 VanDerWaalsContact C-N 3.33Å; L81-T83 PolarHBondContact O-N 3.46Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.15Å; L81-M85 WeakPolarHBondContact O-CG 3.39Å; L81-M85 PolarHBondContact O-N 2.88Å
82	G	98.6	Very high	98.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-39.6	176.1	0	0	0	0	0	112.6	A78 H80 L84 M85 A86 F91	A78-G82 PolarHBondContact O-N 3.26Å; H80-G82 VanDerWaalsContact C-N 3.35Å; H80-G82 PolarHBondContact O-N 2.95Å; G82-L84 VanDerWaalsContact C-N 3.35Å; G82-L84 PolarHBondContact O-N 3.45Å; G82-M85 PolarHBondContact O-N 3.39Å; G82-A86 PolarHBondContact O-N 3.41Å; G82-F91 WeakPolarHBondContact O-CZ 3.32Å
83	T	98.7	Very high	98.3	Very high	33 Å²	33	45.9 Å²	45.9	20%	0.202	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-42.2	174.1	-67	0	0	0	0	111.8	L79 H80 L81 A86 A87 T100 L101	L79-T83 WeakPolarHBondContact O-CB 3.23Å; L79-T83 PolarHBondContact O-N 2.9Å; L79-T83 PolarHBondContact O-OG1 2.96Å; H80-T83 WeakPolarHBondContact O-CB 3.47Å; H80-T83 PolarHBondContact O-N 3.36Å; H80-T83 VanDerWaalsContact O-N 3.16Å; L81-T83 VanDerWaalsContact C-N 3.33Å; L81-T83 PolarHBondContact O-N 3.46Å; T83-A86 PolarHBondContact O-N 3.03Å; T83-A87 WeakPolarHBondContact O-CB 3.47Å; T83-A87 PolarHBondContact O-N 3.36Å; T83-T100 HydrophobicContact CG2-CG2 4.11Å; T83-L101 WeakPolarHBondContact OG1-CB 3.5Å; T83-L101 PolarHBondContact OG1-N 3.08Å
84	L	98.6	Very high	98.2	Very high	72 Å²	72	38.9 Å²	38.9	38%	0.377	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-43.1	175	-70.6	174.3	0	0	0	111.5	H80 L81 G82 A86 A87 H88	H80-L84 WeakPolarHBondContact O-CG 3.25Å; H80-L84 PolarHBondContact O-N 3.18Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.15Å; G82-L84 VanDerWaalsContact C-N 3.35Å; G82-L84 PolarHBondContact O-N 3.45Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.44Å; L84-A87 PolarHBondContact O-N 2.89Å; L84-H88 PolarHBondContact O-N 3.35Å; L84-H88 PolarHBondContact O-ND1 3.39Å
85	M	98.6	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-37.4	176.8	-65.9	178.7	80.6	0	0	112.5	M27 L30 I31 M34 L81 G82 H88 G89 Y90 F91	M27-M85 HydrophobicContact CB-CE 4.4Å; M27-M85 HydrophobicContact CG-CG 4.27Å; M27-M85 HydrophobicContact SD-CG 4.12Å; L30-M85 HydrophobicContact CB-CE 3.94Å; L30-M85 HydrophobicContact CD2-CE 3.68Å; L30-M85 HydrophobicContact CD2-SD 3.5Å; L30-M85 WeakPolarHBondContact CD2-SD 3.44Å; L30-M85 HydrophobicContact CG-CE 3.9Å; L30-M85 HydrophobicContact CG-SD 4.28Å; I31-M85 HydrophobicContact CD1-CE 3.59Å; I31-M85 HydrophobicContact CG1-CE 3.64Å; M34-M85 HydrophobicContact CE-CE 4.46Å; M34-M85 HydrophobicContact CE-SD 4.28Å; M34-M85 HydrophobicContact SD-CE 4.49Å; L81-M85 WeakPolarHBondContact O-CG 3.39Å; L81-M85 PolarHBondContact O-N 2.88Å; G82-M85 PolarHBondContact O-N 3.39Å; M85-H88 PolarHBondContact O-N 3.39Å; M85-G89 PolarHBondContact O-N 3.19Å; M85-Y90 PolarHBondContact O-N 2.95Å; M85-F91 HydrophobicContact CB-CD1 4.44Å; M85-F91 HydrophobicContact CB-CE1 3.6Å; M85-F91 HydrophobicContact CB-CZ 4.07Å; M85-F91 HydrophobicContact SD-CE1 4.4Å
86	A	98.5	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-46.8	174	0	0	0	0	0	111.5	G82 T83 L84 H88 G89 F91	G82-A86 PolarHBondContact O-N 3.41Å; T83-A86 PolarHBondContact O-N 3.03Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.44Å; A86-H88 PolarHBondContact O-N 3.4Å; A86-G89 WeakPolarHBondContact O-CA 3.33Å; A86-G89 PolarHBondContact O-N 2.82Å; A86-F91 VanDerWaalsContact CA-O 3.31Å; A86-F91 WeakPolarHBondContact CA-O 3.34Å; A86-F91 HydrophobicContact CB-CD2 3.99Å; A86-F91 HydrophobicContact CB-CE2 3.61Å; A86-F91 HydrophobicContact CB-CZ 4.16Å
87	A	98.3	Very high	97.6	Very high	23 Å²	23	34.9 Å²	34.9	19%	0.19	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-32.4	178.8	0	0	0	0	0	112.7	T83 L84 G89 L99 T209	T83-A87 WeakPolarHBondContact O-CB 3.47Å; T83-A87 PolarHBondContact O-N 3.36Å; L84-A87 PolarHBondContact O-N 2.89Å; A87-G89 PolarHBondContact O-N 3.46Å; A87-L99 PolarHBondContact N-O 3Å; A87-T209 HydrophobicContact CB-CG2 3.87Å; A87-T209 PolarHBondContact O-OG1 3.06Å
88	H	97.9	Very high	97.6	Very high	35 Å²	35	31.5 Å²	31.5	16%	0.162	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	0	173.1	-69.2	86.7	0	0	0	113.8	Y24 M27 L84 M85 A86 Y90	Y24-H88 AromaticContact CE1-CD2 3.82Å; M27-H88 HydrophobicContact CE-CB 4.11Å; M27-H88 HydrophobicContact SD-CB 4.28Å; L84-H88 PolarHBondContact O-N 3.35Å; L84-H88 PolarHBondContact O-ND1 3.39Å; M85-H88 PolarHBondContact O-N 3.39Å; A86-H88 PolarHBondContact O-N 3.4Å; H88-Y90 HydrophobicContact CB-CD2 4.02Å; H88-Y90 HydrophobicContact CB-CE2 3.98Å
89	G	97.8	Very high	97.5	Very high	4 Å²	4	32.2 Å²	32.2	4%	0.041	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	21.2	171.3	0	0	0	0	0	115.5	M85 A86 A87 Q111	M85-G89 PolarHBondContact O-N 3.19Å; A86-G89 WeakPolarHBondContact O-CA 3.33Å; A86-G89 PolarHBondContact O-N 2.82Å; A87-G89 PolarHBondContact O-N 3.46Å; G89-Q111 WeakPolarHBondContact O-CB 3.46Å; G89-Q111 WeakPolarHBondContact O-CG 3.24Å
90	Y	98.5	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-79.9	-30	177.6	-72.4	-68.4	0	0	0	113.7	Y24 M27 E28 I31 M85 H88 Q111 W116 P117	Y24-Y90 WeakPolarHBondContact CA-OH 3.36Å; Y24-Y90 WeakPolarHBondContact CB-OH 3.34Å; Y24-Y90 PolarHBondContact O-OH 3.34Å; M27-Y90 HydrophobicContact CB-CD2 3.97Å; M27-Y90 HydrophobicContact CB-CE2 3.51Å; M27-Y90 HydrophobicContact CE-CE2 3.75Å; M27-Y90 HydrophobicContact CG-CE2 4.21Å; M27-Y90 HydrophobicContact SD-CD2 4.02Å; M27-Y90 HydrophobicContact SD-CE2 3.7Å; E28-Y90 HydrophobicContact CG-CD1 4.2Å; E28-Y90 HydrophobicContact CG-CE1 3.26Å; E28-Y90 WeakPolarHBondContact CG-OH 3.47Å; E28-Y90 PolarHBondContact OE1-OH 3.27Å; I31-Y90 HydrophobicContact CD1-CG 4.41Å; I31-Y90 HydrophobicContact CG1-CD1 4.11Å; I31-Y90 HydrophobicContact CG1-CG 4Å; M85-Y90 PolarHBondContact O-N 2.95Å; H88-Y90 HydrophobicContact CB-CD2 4.02Å; H88-Y90 HydrophobicContact CB-CE2 3.98Å; Y90-Q111 WeakPolarHBondContact O-CB 3.07Å; Y90-Q111 PolarHBondContact O-N 3.26Å; Y90-W116 AromaticContact CD1-CD1 3.84Å; Y90-W116 HydrophobicContact CD1-CD2 4.1Å; Y90-W116 AromaticContact CD1-CE2 3.96Å; Y90-W116 HydrophobicContact CD1-CG 4.03Å; Y90-W116 AromaticContact CD1-NE1 3.82Å; Y90-W116 HydrophobicContact CE1-CB 4.12Å; Y90-W116 AromaticContact CE1-CD2 3.82Å; Y90-W116 HydrophobicContact CE1-CD2 3.82Å; Y90-W116 HydrophobicContact CE1-CE3 4.33Å; Y90-W116 AromaticContact CE1-CG 3.74Å; Y90-W116 HydrophobicContact CE1-CG 3.74Å; Y90-P117 HydrophobicContact CE1-CG 4.46Å; Y90-P117 HydrophobicContact CE2-CG 4.1Å
91	F	98.6	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.7	165.1	57.2	-96	0	0	0	108.8	I31 F57 I62 G82 M85 A86 L101 Y108 R109 F110	I31-F91 HydrophobicContact CD1-CD1 3.85Å; I31-F91 HydrophobicContact CD1-CE1 4.37Å; F57-F91 HydrophobicContact CZ-CB 4.29Å; I62-F91 HydrophobicContact CD1-CD2 4.09Å; I62-F91 HydrophobicContact CD1-CE2 3.87Å; I62-F91 HydrophobicContact CD1-CZ 4.36Å; I62-F91 HydrophobicContact CG2-CE1 4.48Å; I62-F91 HydrophobicContact CG2-CZ 4.05Å; G82-F91 WeakPolarHBondContact O-CZ 3.32Å; M85-F91 HydrophobicContact CB-CD1 4.44Å; M85-F91 HydrophobicContact CB-CE1 3.6Å; M85-F91 HydrophobicContact CB-CZ 4.07Å; M85-F91 HydrophobicContact SD-CE1 4.4Å; A86-F91 VanDerWaalsContact CA-O 3.31Å; A86-F91 WeakPolarHBondContact CA-O 3.34Å; A86-F91 HydrophobicContact CB-CD2 3.99Å; A86-F91 HydrophobicContact CB-CE2 3.61Å; A86-F91 HydrophobicContact CB-CZ 4.16Å; F91-L101 HydrophobicContact CE2-CD1 4.34Å; F91-Y108 AromaticContact CD2-CD1 3.84Å; F91-Y108 HydrophobicContact CD2-CD1 3.84Å; F91-Y108 HydrophobicContact CD2-CG 4.39Å; F91-Y108 HydrophobicContact CE2-CD1 4.25Å; F91-R109 CarbonylContact C-O 3.58Å; F91-R109 WeakPolarHBondContact CA-O 3.3Å; F91-R109 VanDerWaalsContact CB-O 3.27Å; F91-R109 WeakPolarHBondContact CB-O 3.24Å; F91-F110 HydrophobicContact CB-CD1 4.09Å
92	F	98.6	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	148	-172	54.8	-90.5	0	0	0	111.7	L99 Y108 R109 Q111 S191 Q192 A195	F92-L99 HydrophobicContact CB-CD2 3.73Å; F92-Y108 VanDerWaalsContact C-CD1 3.49Å; F92-Y108 VanDerWaalsContact O-CA 3.3Å; F92-Y108 WeakPolarHBondContact O-CA 3.3Å; F92-R109 WeakPolarHBondContact CD1-O 3.44Å; F92-R109 HydrophobicContact CE1-CB 4.48Å; F92-R109 HydrophobicContact CE2-CB 4.18Å; F92-R109 HydrophobicContact CZ-CB 4.05Å; F92-R109 HydrophobicContact CZ-CG 4.22Å; F92-R109 PolarHBondContact N-O 3.29Å; F92-R109 PolarHBondContact O-N 2.85Å; F92-Q111 HydrophobicContact CD1-CB 4.36Å; F92-Q111 HydrophobicContact CE1-CB 4.28Å; F92-S191 WeakPolarHBondContact CE2-O 3.29Å; F92-Q192 HydrophobicContact CE1-CG 4.06Å; F92-Q192 HydrophobicContact CZ-CB 4.44Å; F92-Q192 HydrophobicContact CZ-CG 3.82Å; F92-A195 HydrophobicContact CB-CB 3.67Å; F92-A195 HydrophobicContact CD1-CB 3.3Å; F92-A195 HydrophobicContact CD2-CB 3.67Å; F92-A195 HydrophobicContact CE1-CB 3.76Å; F92-A195 HydrophobicContact CE2-CB 4.09Å; F92-A195 HydrophobicContact CG-CB 3.25Å; F92-A195 HydrophobicContact CZ-CB 4.13Å
93	P	97.9	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.5	173	27.1	-31.2	0	0	0	109.5	S95 D96 V98 T106 Y108 R194	P93-S95 PolarHBondContact O-N 2.99Å; P93-D96 HydrophobicContact CB-CB 4.16Å; P93-D96 HydrophobicContact CG-CB 3.98Å; P93-V98 WeakPolarHBondContact CG-O 3.49Å; P93-T106 HydrophobicContact CB-CG2 4.45Å; P93-Y108 HydrophobicContact CB-CD1 4.13Å; P93-Y108 HydrophobicContact CB-CE1 3.73Å; P93-Y108 HydrophobicContact CG-CE1 4.16Å; P93-R194 PolarHBondContact O-NH2 3.48Å
94	I	94.7	Very high	97.4	Very high	36 Å²	36	32.7 Å²	32.7	19%	0.185	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-20.2	-173.9	65.2	174.7	0	0	0	113.4	I53 V56 F107 R109 R194	I53-I94 HydrophobicContact CD1-CD1 3.98Å; I53-I94 HydrophobicContact CG2-CD1 3.68Å; V56-I94 HydrophobicContact CG1-CD1 4.18Å; V56-I94 HydrophobicContact CG1-CG2 4Å; I94-F107 HydrophobicContact CD1-CB 3.58Å; I94-F107 HydrophobicContact CD1-CD2 4.42Å; I94-F107 HydrophobicContact CD1-CG 4.4Å; I94-F107 HydrophobicContact CG1-CB 3.95Å; I94-F107 PolarHBondContact N-O 3.46Å; I94-R109 HydrophobicContact CG2-CB 4.08Å; I94-R194 PolarHBondContact O-NH2 3.23Å
95	S	90.8	Very high	97.3	Very high	103 Å²	103	31.8 Å²	31.8	72%	0.72	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	5	-169.2	48	0	0	0	0	114.3	P93	P93-S95 PolarHBondContact O-N 2.99Å
96	D	94.2	Very high	97.2	Very high	55 Å²	55	33.2 Å²	33.2	29%	0.294	20%	0.2	S	C	.	.			trans	-137	147.5	-177.1	-157.8	-23.6	0	0	0	110	P93 V98 K102 R194	P93-D96 HydrophobicContact CB-CB 4.16Å; P93-D96 HydrophobicContact CG-CB 3.98Å; D96-V98 PolarHBondContact OD1-N 2.64Å; D96-K102 IonicContact OD2-NZ 3.7Å; D96-R194 PolarHBondContact O-NH1 3.13Å; D96-R194 PolarHBondContact O-NH2 3.39Å
97	H	96.4	Very high	97.2	Very high	40 Å²	40	36.4 Å²	36.4	19%	0.185	21%	0.213	C	C	.	.	S	Bend	trans	-86.2	-20.5	172.9	-78.4	-87.3	0	0	0	112	L99 Y148 E149 R194 D198 V203	H97-L99 PolarHBondContact O-N 3.11Å; H97-Y148 PolarHBondContact ND1-OH 2.87Å; H97-Y148 VanDerWaalsContact ND1-OH 3.15Å; H97-E149 IonicContact CE1-OE1 3.42Å; H97-E149 IonicContact CE1-OE2 3.53Å; H97-E149 IonicContact NE2-OE2 3.18Å; H97-R194 VanDerWaalsContact CE1-CD 3.48Å; H97-R194 WeakPolarHBondContact CE1-CD 3.06Å; H97-D198 IonicContact CE1-OD1 3.56Å; H97-D198 IonicContact CG-OD1 3.61Å; H97-D198 IonicContact ND1-OD1 2.73Å; H97-D198 PolarHBondContact ND1-OD1 2.73Å; H97-D198 IonicContact ND1-OD2 2.74Å; H97-V203 HydrophobicContact CB-CG2 3.6Å
98	V	97.9	Very high	97.2	Very high	43 Å²	43	35.3 Å²	35.3	26%	0.261	20%	0.204	S	C	.	.	S	Bend	trans	-79.3	114.3	176.5	-180	0	0	0	0	109.6	P93 D96 T100 V203	P93-V98 WeakPolarHBondContact CG-O 3.49Å; D96-V98 PolarHBondContact OD1-N 2.64Å; V98-T100 VanDerWaalsContact C-N 3.28Å; V98-T100 HydrophobicContact CG1-CG2 3.79Å; V98-T100 PolarHBondContact O-N 2.79Å; V98-V203 HydrophobicContact CG2-CB 4.36Å; V98-V203 HydrophobicContact CG2-CG1 4.42Å; V98-V203 HydrophobicContact CG2-CG2 4.14Å
99	L	98.1	Very high	97.2	Very high	15 Å²	15	34.3 Å²	34.3	8%	0.079	20%	0.199	C	C	.	.			trans	-80.3	69.8	-175.5	-61.1	-177.1	0	0	0	112.3	A87 F92 H97 D198 V199	A87-L99 PolarHBondContact N-O 3Å; F92-L99 HydrophobicContact CB-CD2 3.73Å; H97-L99 PolarHBondContact O-N 3.11Å; L99-D198 HydrophobicContact CD1-CB 3.87Å; L99-D198 HydrophobicContact CD2-CB 4.03Å; L99-D198 HydrophobicContact CG-CB 3.89Å; L99-V199 HydrophobicContact CD1-CB 4.45Å; L99-V199 HydrophobicContact CD1-CG2 3.48Å; L99-V199 VanDerWaalsContact CD1-CG2 3.48Å
100	T	98.1	Very high	97.2	Very high	46 Å²	46	34.9 Å²	34.9	28%	0.282	20%	0.2	S	C	.	.			trans	-122.8	149.6	177.4	54	0	0	0	0	112.1	T83 V98 Y108	T83-T100 HydrophobicContact CG2-CG2 4.11Å; V98-T100 VanDerWaalsContact C-N 3.28Å; V98-T100 HydrophobicContact CG1-CG2 3.79Å; V98-T100 PolarHBondContact O-N 2.79Å; T100-Y108 VanDerWaalsContact O-CE1 3.31Å; T100-Y108 WeakPolarHBondContact O-CE1 3.07Å; T100-Y108 PolarHBondContact O-OH 3.37Å
101	L	98.6	Very high	97.2	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	20%	0.202	C	C	.	.			trans	-87.1	135.6	170.7	-178.2	58.6	0	0	0	109.9	I62 V63 L79 T83 F91 Y108	I62-L101 HydrophobicContact CB-CD1 4.26Å; I62-L101 HydrophobicContact CB-CD2 4.24Å; I62-L101 HydrophobicContact CD1-CD1 3.65Å; I62-L101 HydrophobicContact CG2-CD2 3.89Å; V63-L101 HydrophobicContact CG2-CD2 3.74Å; V63-L101 HydrophobicContact CG2-CG 4.25Å; L79-L101 HydrophobicContact CD1-CB 4.03Å; L79-L101 HydrophobicContact CD1-CD2 4.04Å; L79-L101 HydrophobicContact CD1-CG 3.72Å; L79-L101 WeakPolarHBondContact CD1-O 3.35Å; T83-L101 WeakPolarHBondContact OG1-CB 3.5Å; T83-L101 PolarHBondContact OG1-N 3.08Å; F91-L101 HydrophobicContact CE2-CD1 4.34Å; L101-Y108 VanDerWaalsContact CA-OH 3.32Å; L101-Y108 WeakPolarHBondContact CA-OH 3.43Å; L101-Y108 HydrophobicContact CD1-CD2 4.23Å; L101-Y108 HydrophobicContact CD1-CE1 4.19Å; L101-Y108 HydrophobicContact CD1-CE2 3.75Å
102	K	98.4	Very high	97.1	Very high	86 Å²	86	37.1 Å²	37.1	37%	0.374	21%	0.214	S	C	.	.			trans	-116.9	133.4	171.4	-63.5	179.7	-176.4	171.4	0	108.1	G59 D96 D104 Y108	G59-K102 CarbonylContact C-O 3.57Å; G59-K102 VanDerWaalsContact CA-O 3.25Å; G59-K102 WeakPolarHBondContact CA-O 3.33Å; D96-K102 IonicContact OD2-NZ 3.7Å; K102-D104 PolarHBondContact O-N 3.19Å; K102-Y108 PolarHBondContact N-OH 3.17Å
103	D	97.9	Very high	96.9	Very high	48 Å²	48	40.6 Å²	40.6	26%	0.257	24%	0.236	S	C	.	.	S	Bend	trans	-83.9	67.2	176.8	-166.7	2.3	0	0	0	111.1	S60 V63 Q75 L79	S60-D103 WeakPolarHBondContact CA-OD1 3.25Å; S60-D103 VanDerWaalsContact CB-OD1 3.28Å; S60-D103 WeakPolarHBondContact CB-OD1 3.44Å; V63-D103 HydrophobicContact CG2-CB 4.01Å; Q75-D103 PolarHBondContact NE2-OD2 3.1Å; L79-D103 HydrophobicContact CD1-CB 4.29Å
104	D	97.3	Very high	96.6	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	25%	0.251	S	S	.	.	S	Bend	trans	-152.8	-167.1	-179.2	64.6	20.6	0	0	0	110.8	G59 S60 K102 T106	G59-D104 PolarHBondContact N-O 2.65Å; S60-D104 PolarHBondContact N-O 3.12Å; S60-D104 VanDerWaalsContact N-O 3.09Å; K102-D104 PolarHBondContact O-N 3.19Å; D104-T106 PolarHBondContact O-N 2.93Å; D104-T106 VanDerWaalsContact O-N 3.15Å; D104-T106 WeakPolarHBondContact OD1-CA 3.2Å; D104-T106 WeakPolarHBondContact OD1-CB 3.41Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 2.8Å
105	G	96.3	Very high	96.7	Very high	52 Å²	52	44 Å²	44	54%	0.536	25%	0.248	S	C	.	.	S	Bend	trans	-72.3	7.9	177.5	0	0	0	0	0	115.6	F107	G105-F107 PolarHBondContact O-N 3.31Å
106	T	97.3	Very high	96.9	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	22%	0.22	C	C	.	.			trans	-60.1	135.3	176.6	-63	0	0	0	0	110.2	S58 G59 P93 D104 Y108	S58-T106 CarbonylContact C-O 3.5Å; S58-T106 WeakPolarHBondContact CA-O 3.49Å; G59-T106 PolarHBondContact N-O 3.37Å; P93-T106 HydrophobicContact CB-CG2 4.45Å; D104-T106 PolarHBondContact O-N 2.93Å; D104-T106 VanDerWaalsContact O-N 3.15Å; D104-T106 WeakPolarHBondContact OD1-CA 3.2Å; D104-T106 WeakPolarHBondContact OD1-CB 3.41Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 2.8Å; T106-Y108 HydrophobicContact CG2-CD2 4.46Å; T106-Y108 HydrophobicContact CG2-CE2 3.71Å; T106-Y108 VanDerWaalsContact O-CD2 3.29Å; T106-Y108 WeakPolarHBondContact O-CD2 3.39Å; T106-Y108 WeakPolarHBondContact O-CE2 3.42Å
107	F	97.6	Very high	96.7	Very high	66 Å²	66	38.9 Å²	38.9	29%	0.289	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.4	-176.5	-66.8	-56.4	0	0	0	112.9	V46 V56 F57 I94 G105	V46-F107 HydrophobicContact CB-CZ 4.32Å; V46-F107 HydrophobicContact CG1-CE2 4.24Å; V46-F107 HydrophobicContact CG1-CZ 4Å; V46-F107 HydrophobicContact CG2-CD1 4.42Å; V46-F107 HydrophobicContact CG2-CE1 3.73Å; V46-F107 HydrophobicContact CG2-CE2 4.37Å; V46-F107 HydrophobicContact CG2-CZ 3.71Å; V56-F107 HydrophobicContact CB-CB 4.16Å; V56-F107 HydrophobicContact CB-CD1 4.32Å; V56-F107 HydrophobicContact CB-CG 4.44Å; V56-F107 HydrophobicContact CG1-CB 4.4Å; V56-F107 HydrophobicContact CG2-CB 4.48Å; V56-F107 HydrophobicContact CG2-CD1 3.99Å; V56-F107 HydrophobicContact CG2-CG 4.26Å; F57-F107 WeakPolarHBondContact O-CA 3.32Å; I94-F107 HydrophobicContact CD1-CB 3.58Å; I94-F107 HydrophobicContact CD1-CD2 4.42Å; I94-F107 HydrophobicContact CD1-CG 4.4Å; I94-F107 HydrophobicContact CG1-CB 3.95Å; I94-F107 PolarHBondContact N-O 3.46Å; G105-F107 PolarHBondContact O-N 3.31Å
108	Y	98.4	Very high	96.3	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	163.4	178	-67.2	-94.3	0	0	0	111.5	V56 F57 I62 F91 F92 P93 T100 L101 K102 T106	V56-Y108 VanDerWaalsContact CA-O 3.28Å; V56-Y108 WeakPolarHBondContact CA-O 3.42Å; F57-Y108 PolarHBondContact N-O 3.36Å; F57-Y108 PolarHBondContact O-N 2.99Å; I62-Y108 HydrophobicContact CD1-CD2 3.95Å; I62-Y108 HydrophobicContact CD1-CG 3.87Å; F91-Y108 AromaticContact CD2-CD1 3.84Å; F91-Y108 HydrophobicContact CD2-CD1 3.84Å; F91-Y108 HydrophobicContact CD2-CG 4.39Å; F91-Y108 HydrophobicContact CE2-CD1 4.25Å; F92-Y108 VanDerWaalsContact C-CD1 3.49Å; F92-Y108 VanDerWaalsContact O-CA 3.3Å; F92-Y108 WeakPolarHBondContact O-CA 3.3Å; P93-Y108 HydrophobicContact CB-CD1 4.13Å; P93-Y108 HydrophobicContact CB-CE1 3.73Å; P93-Y108 HydrophobicContact CG-CE1 4.16Å; T100-Y108 VanDerWaalsContact O-CE1 3.31Å; T100-Y108 WeakPolarHBondContact O-CE1 3.07Å; T100-Y108 PolarHBondContact O-OH 3.37Å; L101-Y108 VanDerWaalsContact CA-OH 3.32Å; L101-Y108 WeakPolarHBondContact CA-OH 3.43Å; L101-Y108 HydrophobicContact CD1-CD2 4.23Å; L101-Y108 HydrophobicContact CD1-CE1 4.19Å; L101-Y108 HydrophobicContact CD1-CE2 3.75Å; K102-Y108 PolarHBondContact N-OH 3.17Å; T106-Y108 HydrophobicContact CG2-CD2 4.46Å; T106-Y108 HydrophobicContact CG2-CE2 3.71Å; T106-Y108 VanDerWaalsContact O-CD2 3.29Å; T106-Y108 WeakPolarHBondContact O-CD2 3.39Å; T106-Y108 WeakPolarHBondContact O-CE2 3.42Å
109	R	98	Very high	95.7	Very high	13 Å²	13	38 Å²	38	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.7	174	-176.7	176.7	-68.2	150.9	-1.6	110.8	P54 S55 F91 F92 I94 S191	P54-R109 PolarHBondContact O-NH2 2.72Å; S55-R109 PolarHBondContact O-NE 2.83Å; S55-R109 VanDerWaalsContact O-NE 3.16Å; F91-R109 CarbonylContact C-O 3.58Å; F91-R109 WeakPolarHBondContact CA-O 3.3Å; F91-R109 VanDerWaalsContact CB-O 3.27Å; F91-R109 WeakPolarHBondContact CB-O 3.24Å; F92-R109 WeakPolarHBondContact CD1-O 3.44Å; F92-R109 HydrophobicContact CE1-CB 4.48Å; F92-R109 HydrophobicContact CE2-CB 4.18Å; F92-R109 HydrophobicContact CZ-CB 4.05Å; F92-R109 HydrophobicContact CZ-CG 4.22Å; F92-R109 PolarHBondContact N-O 3.29Å; F92-R109 PolarHBondContact O-N 2.85Å; I94-R109 HydrophobicContact CG2-CB 4.08Å; R109-S191 PolarHBondContact NH1-OG 3.32Å
110	F	98.4	Very high	94.8	Very high	16 Å²	16	39.2 Å²	39.2	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.2	171.1	-66.5	-61.8	0	0	0	112.2	I31 M34 Q35 I41 I43 F57 F91	I31-F110 HydrophobicContact CD1-CD1 4.16Å; I31-F110 HydrophobicContact CD1-CE1 4.04Å; I31-F110 HydrophobicContact CG2-CD1 4.28Å; M34-F110 HydrophobicContact CB-CE1 4.1Å; M34-F110 HydrophobicContact CB-CZ 3.83Å; M34-F110 HydrophobicContact SD-CE1 4.3Å; Q35-F110 HydrophobicContact CG-CD1 4.32Å; Q35-F110 HydrophobicContact CG-CD2 3.57Å; Q35-F110 HydrophobicContact CG-CE1 4.23Å; Q35-F110 HydrophobicContact CG-CE2 3.47Å; Q35-F110 VanDerWaalsContact CG-CE2 3.47Å; Q35-F110 HydrophobicContact CG-CG 4.03Å; Q35-F110 HydrophobicContact CG-CZ 3.83Å; I41-F110 HydrophobicContact CD1-CZ 4.4Å; I43-F110 HydrophobicContact CD1-CD2 4.14Å; I43-F110 HydrophobicContact CD1-CE2 4.02Å; I43-F110 HydrophobicContact CG1-CE2 4.42Å; F57-F110 HydrophobicContact CD1-CD2 4.38Å; F57-F110 HydrophobicContact CD1-CE2 4.06Å; F57-F110 HydrophobicContact CE1-CD1 4.35Å; F57-F110 AromaticContact CE1-CD2 3.36Å; F57-F110 HydrophobicContact CE1-CD2 3.36Å; F57-F110 HydrophobicContact CE1-CE1 4.34Å; F57-F110 AromaticContact CE1-CE2 3.33Å; F57-F110 HydrophobicContact CE1-CE2 3.33Å; F57-F110 AromaticContact CE1-CG 3.88Å; F57-F110 HydrophobicContact CE1-CG 3.88Å; F57-F110 AromaticContact CE1-CZ 3.85Å; F57-F110 HydrophobicContact CE1-CZ 3.85Å; F57-F110 HydrophobicContact CE2-CE1 4.35Å; F57-F110 HydrophobicContact CE2-CZ 4.21Å; F57-F110 AromaticContact CZ-CD1 3.82Å; F57-F110 HydrophobicContact CZ-CD1 3.82Å; F57-F110 AromaticContact CZ-CD2 3.69Å; F57-F110 HydrophobicContact CZ-CD2 3.69Å; F57-F110 AromaticContact CZ-CE1 3.73Å; F57-F110 HydrophobicContact CZ-CE1 3.73Å; F57-F110 AromaticContact CZ-CE2 3.6Å; F57-F110 HydrophobicContact CZ-CE2 3.6Å; F57-F110 AromaticContact CZ-CG 3.78Å; F57-F110 HydrophobicContact CZ-CG 3.78Å; F57-F110 AromaticContact CZ-CZ 3.61Å; F57-F110 HydrophobicContact CZ-CZ 3.61Å; F91-F110 HydrophobicContact CB-CD1 4.09Å
111	Q	98.1	Very high	94	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-78.4	147.6	171.3	-176.7	59.8	-79.4	0	0	111.1	G89 Y90 F92 F115 W116 Q192	G89-Q111 WeakPolarHBondContact O-CB 3.46Å; G89-Q111 WeakPolarHBondContact O-CG 3.24Å; Y90-Q111 WeakPolarHBondContact O-CB 3.07Å; Y90-Q111 PolarHBondContact O-N 3.26Å; F92-Q111 HydrophobicContact CD1-CB 4.36Å; F92-Q111 HydrophobicContact CE1-CB 4.28Å; Q111-F115 HydrophobicContact CG-CB 3.82Å; Q111-W116 PolarHBondContact O-NE1 3.29Å; Q111-Q192 PolarHBondContact NE2-O 2.93Å; Q111-Q192 VanDerWaalsContact OE1-CB 3.28Å
112	T	95.8	Very high	93.4	Very high	42 Å²	42	42.5 Å²	42.5	26%	0.258	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.1	139.8	173.2	176.4	0	0	0	0	111.1	Y114 F115	T112-Y114 PolarHBondContact O-N 3.05Å; T112-F115 HydrophobicContact CG2-CB 4.34Å; T112-F115 HydrophobicContact CG2-CD2 3.43Å; T112-F115 VanDerWaalsContact CG2-CD2 3.43Å; T112-F115 HydrophobicContact CG2-CE2 4.06Å; T112-F115 HydrophobicContact CG2-CG 4.16Å; T112-F115 PolarHBondContact O-N 3.17Å
113	P	94.8	Very high	92.9	Very high	73 Å²	73	38.9 Å²	38.9	47%	0.474	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-54.1	-23.5	178	-28	35	0	0	0	115.3	F115 W116 N119	P113-F115 VanDerWaalsContact C-N 3.26Å; P113-F115 PolarHBondContact O-N 3.2Å; P113-W116 HydrophobicContact CB-CD2 4Å; P113-W116 HydrophobicContact CB-CE3 4.07Å; P113-W116 HydrophobicContact CB-CH2 4.37Å; P113-W116 HydrophobicContact CB-CZ2 4.27Å; P113-W116 HydrophobicContact CB-CZ3 4.26Å; P113-W116 HydrophobicContact CG-CD2 4.46Å; P113-W116 HydrophobicContact CG-CH2 4.09Å; P113-W116 HydrophobicContact CG-CZ2 3.85Å; P113-W116 HydrophobicContact CG-CZ3 4.46Å; P113-W116 PolarHBondContact O-N 3.07Å; P113-N119 PolarHBondContact O-ND2 3.42Å
114	Y	92.4	Very high	92.6	Very high	82 Å²	82	41.1 Å²	41.1	32%	0.322	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-58.1	-39.3	173.6	177.5	-102.2	0	0	0	112.4	T112 N119 W121 V230	T112-Y114 PolarHBondContact O-N 3.05Å; Y114-N119 PolarHBondContact O-ND2 2.93Å; Y114-W121 HydrophobicContact CD1-CZ2 4.33Å; Y114-W121 HydrophobicContact CD2-CZ2 4.42Å; Y114-W121 HydrophobicContact CE1-CH2 4.08Å; Y114-W121 AromaticContact CE1-CZ2 3.92Å; Y114-W121 HydrophobicContact CE1-CZ2 3.92Å; Y114-W121 HydrophobicContact CE2-CH2 4.11Å; Y114-W121 HydrophobicContact CE2-CZ2 4.02Å; Y114-W121 AromaticContact CZ-CH2 3.63Å; Y114-W121 AromaticContact CZ-CZ2 3.76Å; Y114-W121 VanDerWaalsContact O-CZ2 3.31Å; Y114-W121 WeakPolarHBondContact O-CZ2 3.48Å; Y114-W121 PolarHBondContact O-NE1 3.3Å; Y114-W121 WeakPolarHBondContact OH-CH2 3.36Å; Y114-V230 PolarHBondContact OH-O 3.29Å
115	F	95.5	Very high	92.5	Very high	28 Å²	28	41.7 Å²	41.7	12%	0.123	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-92.4	6	-177.9	-70.8	-46.3	0	0	0	114	Q111 T112 P113 Q192 E193 F196 V230	Q111-F115 HydrophobicContact CG-CB 3.82Å; T112-F115 HydrophobicContact CG2-CB 4.34Å; T112-F115 HydrophobicContact CG2-CD2 3.43Å; T112-F115 VanDerWaalsContact CG2-CD2 3.43Å; T112-F115 HydrophobicContact CG2-CE2 4.06Å; T112-F115 HydrophobicContact CG2-CG 4.16Å; T112-F115 PolarHBondContact O-N 3.17Å; P113-F115 VanDerWaalsContact C-N 3.26Å; P113-F115 PolarHBondContact O-N 3.2Å; F115-Q192 HydrophobicContact CD2-CB 4.37Å; F115-Q192 HydrophobicContact CE2-CB 4.38Å; F115-E193 HydrophobicContact CE2-CB 4.45Å; F115-E193 HydrophobicContact CZ-CB 4.45Å; F115-F196 HydrophobicContact CB-CB 4.17Å; F115-F196 HydrophobicContact CB-CD2 3.89Å; F115-F196 HydrophobicContact CB-CG 4.42Å; F115-F196 HydrophobicContact CD1-CB 3.86Å; F115-F196 HydrophobicContact CD1-CD1 4.41Å; F115-F196 AromaticContact CD1-CD2 3.38Å; F115-F196 HydrophobicContact CD1-CD2 3.38Å; F115-F196 AromaticContact CD1-CE2 3.98Å; F115-F196 HydrophobicContact CD1-CE2 3.98Å; F115-F196 AromaticContact CD1-CG 3.61Å; F115-F196 HydrophobicContact CD1-CG 3.61Å; F115-F196 HydrophobicContact CD2-CB 4.24Å; F115-F196 HydrophobicContact CE1-CB 4.27Å; F115-F196 HydrophobicContact CE1-CD1 4.43Å; F115-F196 HydrophobicContact CE1-CD2 4.16Å; F115-F196 HydrophobicContact CE1-CG 4.02Å; F115-F196 HydrophobicContact CG-CB 3.86Å; F115-F196 AromaticContact CG-CD2 3.89Å; F115-F196 HydrophobicContact CG-CD2 3.89Å; F115-F196 HydrophobicContact CG-CG 4.09Å; F115-V230 HydrophobicContact CE1-CG1 4.01Å
116	W	94.5	Very high	92.4	Very high	35 Å²	35	41.4 Å²	41.4	13%	0.133	21%	0.213	C	C	.	.			trans	-65.8	144.5	178.2	-71.4	-1.7	0	0	0	112.3	E28 I31 Y90 Q111 P113 S118 N119 W121	E28-W116 HydrophobicContact CB-CE3 4.26Å; E28-W116 HydrophobicContact CB-CH2 4.28Å; E28-W116 HydrophobicContact CB-CZ3 3.79Å; E28-W116 HydrophobicContact CG-CD2 4.07Å; E28-W116 HydrophobicContact CG-CE3 3.43Å; E28-W116 VanDerWaalsContact CG-CE3 3.43Å; E28-W116 HydrophobicContact CG-CH2 4.16Å; E28-W116 HydrophobicContact CG-CZ3 3.48Å; E28-W116 VanDerWaalsContact CG-CZ3 3.48Å; I31-W116 HydrophobicContact CG2-CH2 4.45Å; I31-W116 HydrophobicContact CG2-CZ2 3.92Å; Y90-W116 AromaticContact CD1-CD1 3.84Å; Y90-W116 HydrophobicContact CD1-CD2 4.1Å; Y90-W116 AromaticContact CD1-CE2 3.96Å; Y90-W116 HydrophobicContact CD1-CG 4.03Å; Y90-W116 AromaticContact CD1-NE1 3.82Å; Y90-W116 HydrophobicContact CE1-CB 4.12Å; Y90-W116 AromaticContact CE1-CD2 3.82Å; Y90-W116 HydrophobicContact CE1-CD2 3.82Å; Y90-W116 HydrophobicContact CE1-CE3 4.33Å; Y90-W116 AromaticContact CE1-CG 3.74Å; Y90-W116 HydrophobicContact CE1-CG 3.74Å; Q111-W116 PolarHBondContact O-NE1 3.29Å; P113-W116 HydrophobicContact CB-CD2 4Å; P113-W116 HydrophobicContact CB-CE3 4.07Å; P113-W116 HydrophobicContact CB-CH2 4.37Å; P113-W116 HydrophobicContact CB-CZ2 4.27Å; P113-W116 HydrophobicContact CB-CZ3 4.26Å; P113-W116 HydrophobicContact CG-CD2 4.46Å; P113-W116 HydrophobicContact CG-CH2 4.09Å; P113-W116 HydrophobicContact CG-CZ2 3.85Å; P113-W116 HydrophobicContact CG-CZ3 4.46Å; P113-W116 PolarHBondContact O-N 3.07Å; W116-S118 PolarHBondContact O-N 3.42Å; W116-N119 WeakPolarHBondContact O-CB 3.28Å; W116-N119 PolarHBondContact O-N 3.21Å; W116-N119 VanDerWaalsContact O-N 3.12Å; W116-W121 VanDerWaalsContact O-CD1 3.32Å
117	P	90.4	Very high	92.3	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.104	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-65.7	-22.3	-177.3	26.9	-36	0	0	0	113.4	Y24 Y90 N119 C120	Y24-P117 HydrophobicContact CD1-CB 4.3Å; Y24-P117 HydrophobicContact CD1-CG 3.83Å; Y24-P117 HydrophobicContact CE1-CB 3.99Å; Y24-P117 HydrophobicContact CE1-CG 3.91Å; Y24-P117 HydrophobicContact CE2-CB 4.22Å; Y24-P117 HydrophobicContact CG-CG 4.28Å; Y90-P117 HydrophobicContact CE1-CG 4.46Å; Y90-P117 HydrophobicContact CE2-CG 4.1Å; P117-N119 PolarHBondContact O-N 2.99Å; P117-C120 PolarHBondContact O-N 3.46Å
118	S	88.7	Confident	92.3	Very high	19 Å²	19	37.4 Å²	37.4	13%	0.133	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.9	-17.2	172.9	53	0	0	0	0	114.2	M21 E28 W116 C120	M21-S118 WeakPolarHBondContact CE-O 3.47Å; E28-S118 WeakPolarHBondContact OE1-CB 3.29Å; E28-S118 PolarHBondContact OE1-OG 2.85Å; E28-S118 PolarHBondContact OE2-OG 3.11Å; W116-S118 PolarHBondContact O-N 3.42Å; S118-C120 PolarHBondContact O-N 3.3Å
119	N	85.9	Confident	92.2	Very high	46 Å²	46	37.3 Å²	37.3	25%	0.246	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-75.2	6.3	170.8	-70.3	-36.6	0	0	0	113.4	P113 Y114 W116 P117 W121	P113-N119 PolarHBondContact O-ND2 3.42Å; Y114-N119 PolarHBondContact O-ND2 2.93Å; W116-N119 WeakPolarHBondContact O-CB 3.28Å; W116-N119 PolarHBondContact O-N 3.21Å; W116-N119 VanDerWaalsContact O-N 3.12Å; P117-N119 PolarHBondContact O-N 2.99Å; N119-W121 PolarHBondContact O-N 3.26Å
120	C	78.8	Confident	92.1	Very high	40 Å²	40	36.8 Å²	36.8	27%	0.27	19%	0.191	S	C	.	.			trans	52.9	52.3	175.6	-63.5	0	0	0	0	112.3	P117 S118 T226 R227	P117-C120 PolarHBondContact O-N 3.46Å; S118-C120 PolarHBondContact O-N 3.3Å; C120-T226 CarbonylContact O-C 3.55Å; C120-T226 VanDerWaalsContact O-CA 3.31Å; C120-T226 WeakPolarHBondContact O-CA 3.4Å; C120-R227 PolarHBondContact O-N 3.27Å
121	W	81.8	Confident	92.1	Very high	16 Å²	16	36.1 Å²	36.1	6%	0.061	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-70.3	131.3	178.7	-71.8	112.2	0	0	0	111.6	Y114 W116 N119 F196 H200 R227 V230	Y114-W121 HydrophobicContact CD1-CZ2 4.33Å; Y114-W121 HydrophobicContact CD2-CZ2 4.42Å; Y114-W121 HydrophobicContact CE1-CH2 4.08Å; Y114-W121 AromaticContact CE1-CZ2 3.92Å; Y114-W121 HydrophobicContact CE1-CZ2 3.92Å; Y114-W121 HydrophobicContact CE2-CH2 4.11Å; Y114-W121 HydrophobicContact CE2-CZ2 4.02Å; Y114-W121 AromaticContact CZ-CH2 3.63Å; Y114-W121 AromaticContact CZ-CZ2 3.76Å; Y114-W121 VanDerWaalsContact O-CZ2 3.31Å; Y114-W121 WeakPolarHBondContact O-CZ2 3.48Å; Y114-W121 PolarHBondContact O-NE1 3.3Å; Y114-W121 WeakPolarHBondContact OH-CH2 3.36Å; W116-W121 VanDerWaalsContact O-CD1 3.32Å; N119-W121 PolarHBondContact O-N 3.26Å; W121-F196 HydrophobicContact CB-CE2 4.09Å; W121-F196 HydrophobicContact CB-CZ 4.37Å; W121-F196 AromaticContact CD1-CE2 3.84Å; W121-F196 AromaticContact CD2-CE2 3.95Å; W121-F196 HydrophobicContact CD2-CE2 3.95Å; W121-F196 HydrophobicContact CD2-CZ 4.26Å; W121-F196 HydrophobicContact CE3-CZ 4.44Å; W121-F196 AromaticContact CG-CE2 3.71Å; W121-F196 HydrophobicContact CG-CE2 3.71Å; W121-F196 HydrophobicContact CG-CZ 4.25Å; W121-H200 WeakPolarHBondContact CB-NE2 3.32Å; W121-R227 HydrophobicContact CD2-CB 4.1Å; W121-R227 HydrophobicContact CE3-CB 3.49Å; W121-R227 VanDerWaalsContact CE3-CB 3.49Å; W121-R227 HydrophobicContact CH2-CB 4.25Å; W121-R227 HydrophobicContact CZ3-CB 3.58Å; W121-R227 HydrophobicContact CZ3-CG 4.44Å; W121-V230 HydrophobicContact CE3-CG2 4.33Å; W121-V230 HydrophobicContact CZ3-CG2 4.1Å
122	E	84.6	Confident	92	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.5	19%	0.187	S	C	.	.			trans	-130.8	68.1	168.9	-71	-173.5	170	0	0	108.7	E124 T226 R227 K228	E122-E124 PolarHBondContact O-N 3.18Å; E122-T226 HydrophobicContact CG-CG2 4.25Å; E122-R227 PolarHBondContact N-O 2.87Å; E122-K228 WeakPolarHBondContact O-CA 3.31Å
123	P	89.5	Confident	92	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.058	18%	0.176	C	C	.	.			trans	-67.9	130.1	-169.9	27.9	-34.2	0	0	0	111.7	F196 W197 H200 R201 V230	P123-F196 HydrophobicContact CB-CE1 4.17Å; P123-F196 HydrophobicContact CB-CZ 4.02Å; P123-F196 HydrophobicContact CG-CE1 4.17Å; P123-F196 HydrophobicContact CG-CZ 3.89Å; P123-W197 HydrophobicContact CB-CH2 3.67Å; P123-W197 HydrophobicContact CB-CZ3 3.77Å; P123-W197 HydrophobicContact CG-CH2 4.35Å; P123-W197 HydrophobicContact CG-CZ3 3.94Å; P123-H200 VanDerWaalsContact CD-CD2 3.42Å; P123-H200 WeakPolarHBondContact CD-CD2 3.44Å; P123-H200 HydrophobicContact CG-CB 3.66Å; P123-R201 PolarHBondContact O-NH2 3.46Å; P123-V230 HydrophobicContact CB-CG2 4.17Å
124	E	91.6	Very high	92	Very high	96 Å²	96	30.8 Å²	30.8	45%	0.449	15%	0.154	S	C	.	.			trans	-73.3	157.5	-178.6	-67.5	-176	178.1	0	0	113	E122 T126 D127 Y128 K228	E122-E124 PolarHBondContact O-N 3.18Å; E124-T126 PolarHBondContact O-N 2.94Å; E124-D127 PolarHBondContact O-N 3.23Å; E124-Y128 PolarHBondContact O-N 3.25Å; E124-K228 PolarHBondContact N-O 3.4Å
125	N	94.3	Very high	92.1	Very high	82 Å²	82	27.4 Å²	27.4	44%	0.439	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-26	175.9	-75	-20.9	0	0	0	113.2	Y128 A129 L156 F160 R201	N125-Y128 PolarHBondContact O-N 3.14Å; N125-A129 PolarHBondContact O-N 3.46Å; N125-L156 HydrophobicContact CB-CD2 3.81Å; N125-F160 HydrophobicContact CB-CE2 3.98Å; N125-F160 HydrophobicContact CB-CZ 3.89Å; N125-R201 PolarHBondContact OD1-NH2 2.83Å
126	T	94.4	Very high	91.9	Very high	46 Å²	46	29 Å²	29	28%	0.282	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-43.9	174.9	-48.7	0	0	0	0	111	E124 A129 V130 I167	E124-T126 PolarHBondContact O-N 2.94Å; T126-A129 WeakPolarHBondContact O-CB 3.44Å; T126-A129 PolarHBondContact O-N 3.38Å; T126-V130 WeakPolarHBondContact O-CG2 3.49Å; T126-V130 PolarHBondContact O-N 2.77Å; T126-I167 HydrophobicContact CG2-CD1 4.46Å; T126-I167 HydrophobicContact CG2-CG1 4.28Å
127	D	94.5	Very high	91.7	Very high	6 Å²	6	30 Å²	30	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-40	178	-73.4	-15.3	0	0	0	111.3	E124 A129 V130 Y131 W197 S229 V230 Y231	E124-D127 PolarHBondContact O-N 3.23Å; D127-A129 VanDerWaalsContact C-N 3.28Å; D127-A129 PolarHBondContact O-N 2.83Å; D127-V130 WeakPolarHBondContact O-CB 3.34Å; D127-V130 PolarHBondContact O-N 3.42Å; D127-Y131 PolarHBondContact O-N 2.73Å; D127-W197 HydrophobicContact CB-CH2 3.86Å; D127-W197 HydrophobicContact CB-CZ2 3.96Å; D127-S229 PolarHBondContact OD1-OG 3.43Å; D127-S229 WeakPolarHBondContact OD2-CA 3.44Å; D127-S229 PolarHBondContact OD2-OG 3.31Å; D127-S229 VanDerWaalsContact OD2-OG 3.12Å; D127-V230 PolarHBondContact OD2-N 2.91Å; D127-Y231 HydrophobicContact CB-CD2 3.89Å; D127-Y231 HydrophobicContact CB-CE2 4.02Å; D127-Y231 WeakPolarHBondContact O-CE2 3.31Å
128	Y	97.1	Very high	91.3	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-36.9	176.3	-169.9	-136.6	0	0	0	111.7	E124 N125 Y131 L132 L156 W197 R201	E124-Y128 PolarHBondContact O-N 3.25Å; N125-Y128 PolarHBondContact O-N 3.14Å; Y128-Y131 AromaticContact CD2-CD1 3.92Å; Y128-Y131 HydrophobicContact CD2-CD1 3.92Å; Y128-Y131 AromaticContact CE2-CD1 3.85Å; Y128-Y131 HydrophobicContact CE2-CD1 3.85Å; Y128-Y131 HydrophobicContact CE2-CE1 4.27Å; Y128-Y131 WeakPolarHBondContact O-CB 3.45Å; Y128-Y131 PolarHBondContact O-N 2.84Å; Y128-L132 HydrophobicContact CD1-CD1 4.07Å; Y128-L132 HydrophobicContact CD2-CD1 4.46Å; Y128-L132 HydrophobicContact CD2-CG 4.19Å; Y128-L132 HydrophobicContact CE1-CD1 3.66Å; Y128-L132 HydrophobicContact CE1-CG 4.35Å; Y128-L132 HydrophobicContact CE2-CD1 4.09Å; Y128-L132 HydrophobicContact CE2-CD2 3.92Å; Y128-L132 HydrophobicContact CE2-CG 3.87Å; Y128-L132 HydrophobicContact CG-CD1 4.44Å; Y128-L132 WeakPolarHBondContact O-CG 3.47Å; Y128-L132 PolarHBondContact O-N 2.74Å; Y128-L156 HydrophobicContact CD1-CD1 3.75Å; Y128-L156 HydrophobicContact CE1-CD1 4.38Å; Y128-L156 HydrophobicContact CG-CD1 4.45Å; Y128-W197 AromaticContact CD2-CD2 3.58Å; Y128-W197 HydrophobicContact CD2-CD2 3.58Å; Y128-W197 AromaticContact CD2-CE3 3.45Å; Y128-W197 HydrophobicContact CD2-CE3 3.45Å; Y128-W197 VanDerWaalsContact CD2-CE3 3.45Å; Y128-W197 HydrophobicContact CD2-CG 4.08Å; Y128-W197 HydrophobicContact CD2-CH2 4.29Å; Y128-W197 HydrophobicContact CD2-CZ2 4.4Å; Y128-W197 AromaticContact CD2-CZ3 3.84Å; Y128-W197 HydrophobicContact CD2-CZ3 3.84Å; Y128-W197 HydrophobicContact CE2-CB 4.24Å; Y128-W197 HydrophobicContact CE2-CD2 4.16Å; Y128-W197 HydrophobicContact CE2-CE3 4.14Å; Y128-W197 HydrophobicContact CE2-CG 4.23Å; Y128-W197 HydrophobicContact CG-CE3 4.05Å; Y128-W197 HydrophobicContact CG-CH2 4.39Å; Y128-W197 AromaticContact CG-CZ3 3.99Å; Y128-W197 HydrophobicContact CG-CZ3 3.99Å; Y128-W197 VanDerWaalsContact N-CH2 3.34Å; Y128-R201 HydrophobicContact CD1-CG 3.8Å; Y128-R201 HydrophobicContact CD2-CG 4.06Å; Y128-R201 HydrophobicContact CE1-CB 4.02Å; Y128-R201 HydrophobicContact CE1-CG 3.82Å; Y128-R201 HydrophobicContact CE2-CB 4.08Å; Y128-R201 HydrophobicContact CE2-CG 4.08Å; Y128-R201 HydrophobicContact CG-CG 3.95Å
129	A	97	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-41.4	173.9	0	0	0	0	0	112.2	N125 T126 D127 C133 L156 F160 W164 I167	N125-A129 PolarHBondContact O-N 3.46Å; T126-A129 WeakPolarHBondContact O-CB 3.44Å; T126-A129 PolarHBondContact O-N 3.38Å; D127-A129 VanDerWaalsContact C-N 3.28Å; D127-A129 PolarHBondContact O-N 2.83Å; A129-C133 WeakPolarHBondContact O-CB 3.35Å; A129-C133 PolarHBondContact O-N 3.34Å; A129-L156 HydrophobicContact CB-CB 4.12Å; A129-L156 HydrophobicContact CB-CD1 4.07Å; A129-F160 HydrophobicContact CB-CD2 4.36Å; A129-W164 HydrophobicContact CB-CZ3 4.21Å; A129-I167 HydrophobicContact CB-CD1 4.07Å; A129-I167 HydrophobicContact CB-CG2 4Å
130	V	96.6	Very high	90.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-46.1	173.8	172.6	0	0	0	0	110.6	T126 D127 C133 K134 I167 Q170 A171 Y231	T126-V130 WeakPolarHBondContact O-CG2 3.49Å; T126-V130 PolarHBondContact O-N 2.77Å; D127-V130 WeakPolarHBondContact O-CB 3.34Å; D127-V130 PolarHBondContact O-N 3.42Å; V130-C133 PolarHBondContact O-N 3.34Å; V130-K134 VanDerWaalsContact O-CB 3.23Å; V130-K134 WeakPolarHBondContact O-CB 3.26Å; V130-K134 PolarHBondContact O-N 3.18Å; V130-I167 HydrophobicContact CG2-CB 4.48Å; V130-I167 HydrophobicContact CG2-CG2 3.89Å; V130-Q170 HydrophobicContact CG1-CB 4.49Å; V130-Q170 HydrophobicContact CG1-CG 4.16Å; V130-Q170 HydrophobicContact CG2-CB 4.24Å; V130-Q170 HydrophobicContact CG2-CG 4.24Å; V130-A171 HydrophobicContact CG1-CB 4.17Å; V130-Y231 HydrophobicContact CB-CD2 4.25Å; V130-Y231 HydrophobicContact CB-CE2 4.21Å; V130-Y231 HydrophobicContact CG1-CD2 4.07Å; V130-Y231 HydrophobicContact CG1-CE2 4.11Å
131	Y	96.8	Very high	90.9	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-52.9	177.8	170.2	-107.1	0	0	0	112.6	D127 Y128 K134 R135 E193 R194 W197 Y231	D127-Y131 PolarHBondContact O-N 2.73Å; Y128-Y131 AromaticContact CD2-CD1 3.92Å; Y128-Y131 HydrophobicContact CD2-CD1 3.92Å; Y128-Y131 AromaticContact CE2-CD1 3.85Å; Y128-Y131 HydrophobicContact CE2-CD1 3.85Å; Y128-Y131 HydrophobicContact CE2-CE1 4.27Å; Y128-Y131 WeakPolarHBondContact O-CB 3.45Å; Y128-Y131 PolarHBondContact O-N 2.84Å; Y131-K134 WeakPolarHBondContact O-CB 3.25Å; Y131-K134 PolarHBondContact O-N 2.83Å; Y131-R135 HydrophobicContact CE2-CG 4.27Å; Y131-R135 PolarHBondContact O-N 3.12Å; Y131-R135 VanDerWaalsContact OH-CD 3.24Å; Y131-R135 WeakPolarHBondContact OH-CD 3.48Å; Y131-R135 PolarHBondContact OH-NH1 2.63Å; Y131-R135 VanDerWaalsContact OH-NH1 3.1Å; Y131-E193 HydrophobicContact CD2-CG 3.88Å; Y131-E193 HydrophobicContact CE2-CG 3.84Å; Y131-R194 VanDerWaalsContact OH-CA 3.27Å; Y131-R194 WeakPolarHBondContact OH-CA 3.42Å; Y131-R194 WeakPolarHBondContact OH-CB 3.49Å; Y131-W197 HydrophobicContact CD1-CB 4.45Å; Y131-W197 AromaticContact CD1-CD1 3.44Å; Y131-W197 VanDerWaalsContact CD1-CD1 3.44Å; Y131-W197 HydrophobicContact CD1-CD2 4.44Å; Y131-W197 AromaticContact CD1-CG 3.88Å; Y131-W197 HydrophobicContact CD1-CG 3.88Å; Y131-W197 AromaticContact CD1-NE1 3.76Å; Y131-W197 AromaticContact CD2-CD1 3.47Å; Y131-W197 VanDerWaalsContact CD2-CD1 3.47Å; Y131-W197 AromaticContact CD2-NE1 3.51Å; Y131-W197 HydrophobicContact CE1-CB 4.16Å; Y131-W197 AromaticContact CE1-CD1 3.64Å; Y131-W197 HydrophobicContact CE1-CG 4.01Å; Y131-W197 AromaticContact CE2-CD1 3.65Å; Y131-W197 AromaticContact CG-CD1 3.35Å; Y131-W197 HydrophobicContact CG-CG 4.18Å; Y131-W197 AromaticContact CG-NE1 3.27Å; Y131-W197 VanDerWaalsContact CG-NE1 3.27Å; Y131-W197 AromaticContact CZ-CD1 3.72Å; Y131-Y231 WeakPolarHBondContact CB-OH 3.48Å
132	L	96.9	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-43.3	-179.6	-67.9	179.9	0	0	0	111.3	Y128 K134 R135 T136 L145 E149 L153 L156	Y128-L132 HydrophobicContact CD1-CD1 4.07Å; Y128-L132 HydrophobicContact CD2-CD1 4.46Å; Y128-L132 HydrophobicContact CD2-CG 4.19Å; Y128-L132 HydrophobicContact CE1-CD1 3.66Å; Y128-L132 HydrophobicContact CE1-CG 4.35Å; Y128-L132 HydrophobicContact CE2-CD1 4.09Å; Y128-L132 HydrophobicContact CE2-CD2 3.92Å; Y128-L132 HydrophobicContact CE2-CG 3.87Å; Y128-L132 HydrophobicContact CG-CD1 4.44Å; Y128-L132 WeakPolarHBondContact O-CG 3.47Å; Y128-L132 PolarHBondContact O-N 2.74Å; L132-K134 PolarHBondContact O-N 3.25Å; L132-R135 PolarHBondContact O-N 3.41Å; L132-T136 WeakPolarHBondContact O-CG2 3.46Å; L132-T136 PolarHBondContact O-N 3.02Å; L132-T136 VanDerWaalsContact O-N 3.12Å; L132-L145 HydrophobicContact CD2-CD2 3.83Å; L132-E149 HydrophobicContact CD2-CB 3.94Å; L132-E149 HydrophobicContact CD2-CG 4.4Å; L132-L153 HydrophobicContact CB-CB 4.4Å; L132-L153 HydrophobicContact CB-CD1 3.91Å; L132-L153 HydrophobicContact CD1-CB 3.99Å; L132-L156 HydrophobicContact CD1-CD1 4.09Å
133	C	95.9	Very high	91	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.027	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-49.3	174.6	-172.4	0	0	0	0	110.6	A129 V130 R135 T136 M137 W164 A171	A129-C133 WeakPolarHBondContact O-CB 3.35Å; A129-C133 PolarHBondContact O-N 3.34Å; V130-C133 PolarHBondContact O-N 3.34Å; C133-R135 VanDerWaalsContact C-N 3.27Å; C133-R135 PolarHBondContact O-N 3.17Å; C133-T136 PolarHBondContact O-N 2.95Å; C133-T136 PolarHBondContact O-OG1 3.27Å; C133-M137 VanDerWaalsContact O-CG 3.29Å; C133-M137 WeakPolarHBondContact O-CG 3.47Å; C133-M137 PolarHBondContact O-N 3.4Å; C133-W164 HydrophobicContact CB-CH2 4.35Å; C133-W164 HydrophobicContact CB-CZ2 4.33Å; C133-A171 HydrophobicContact CB-CB 3.94Å
134	K	95	Very high	91	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-55.3	-41.5	177.6	-173	-177.4	72.7	164.9	0	111.9	V130 Y131 L132 M137 Q138 A171 Q174 A175 D178 E193	V130-K134 VanDerWaalsContact O-CB 3.23Å; V130-K134 WeakPolarHBondContact O-CB 3.26Å; V130-K134 PolarHBondContact O-N 3.18Å; Y131-K134 WeakPolarHBondContact O-CB 3.25Å; Y131-K134 PolarHBondContact O-N 2.83Å; L132-K134 PolarHBondContact O-N 3.25Å; K134-M137 PolarHBondContact O-N 2.94Å; K134-Q138 WeakPolarHBondContact O-CG 3.4Å; K134-A171 HydrophobicContact CB-CB 4.07Å; K134-Q174 HydrophobicContact CD-CB 3.87Å; K134-Q174 HydrophobicContact CD-CG 3.57Å; K134-A175 HydrophobicContact CG-CB 4.13Å; K134-D178 IonicContact NZ-OD2 2.95Å; K134-D178 PolarHBondContact NZ-OD2 3.15Å; K134-E193 WeakPolarHBondContact CE-OE2 3.28Å; K134-E193 VanDerWaalsContact NZ-CD 3.28Å; K134-E193 IonicContact NZ-OE1 2.67Å; K134-E193 PolarHBondContact NZ-OE1 2.87Å; K134-E193 IonicContact NZ-OE2 2.69Å; K134-E193 PolarHBondContact NZ-OE2 3.22Å
135	R	94.3	Very high	91.1	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-45.8	178.1	-84.2	-175	59.2	-166.3	-7.8	113.1	Y131 L132 C133 M137 Q138 L143 E144 L145 E149	Y131-R135 HydrophobicContact CE2-CG 4.27Å; Y131-R135 PolarHBondContact O-N 3.12Å; Y131-R135 VanDerWaalsContact OH-CD 3.24Å; Y131-R135 WeakPolarHBondContact OH-CD 3.48Å; Y131-R135 PolarHBondContact OH-NH1 2.63Å; Y131-R135 VanDerWaalsContact OH-NH1 3.1Å; L132-R135 PolarHBondContact O-N 3.41Å; C133-R135 VanDerWaalsContact C-N 3.27Å; C133-R135 PolarHBondContact O-N 3.17Å; R135-M137 PolarHBondContact O-N 2.89Å; R135-Q138 PolarHBondContact O-N 3.32Å; R135-Q138 VanDerWaalsContact O-N 3.13Å; R135-L143 PolarHBondContact NE-O 3.16Å; R135-L143 PolarHBondContact NH2-O 3.23Å; R135-E144 PolarHBondContact NH2-O 3.3Å; R135-L145 HydrophobicContact CB-CD2 3.93Å; R135-E149 IonicContact CZ-OE1 2.64Å; R135-E149 IonicContact CZ-OE2 2.75Å; R135-E149 VanDerWaalsContact CZ-OE2 3.26Å; R135-E149 IonicContact NH1-OE1 3.97Å; R135-E149 PolarHBondContact NH1-OE1 2.89Å; R135-E149 IonicContact NH1-OE2 3.05Å; R135-E149 PolarHBondContact NH1-OE2 2.99Å; R135-E149 IonicContact NH2-OE1 3.5Å; R135-E149 IonicContact NH2-OE2 2.66Å; R135-E149 PolarHBondContact NH2-OE2 3.25Å
136	T	92.2	Very high	91.1	Very high	63 Å²	63	41.5 Å²	41.5	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-60.2	-30.8	178	62.2	0	0	0	0	112.6	L132 C133 Q138 N139 L145 L153	L132-T136 WeakPolarHBondContact O-CG2 3.46Å; L132-T136 PolarHBondContact O-N 3.02Å; L132-T136 VanDerWaalsContact O-N 3.12Å; C133-T136 PolarHBondContact O-N 2.95Å; C133-T136 PolarHBondContact O-OG1 3.27Å; T136-Q138 VanDerWaalsContact C-N 3.29Å; T136-Q138 PolarHBondContact O-N 3.15Å; T136-N139 PolarHBondContact O-OD1 3.46Å; T136-L145 HydrophobicContact CG2-CD1 3.49Å; T136-L145 VanDerWaalsContact CG2-CD1 3.49Å; T136-L145 HydrophobicContact CG2-CG 3.88Å; T136-L153 HydrophobicContact CG2-CD2 3.81Å
137	M	88.6	Confident	91.2	Very high	54 Å²	54	45.9 Å²	45.9	27%	0.266	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.7	-179.5	-61.8	168.7	77.2	0	0	114.2	C133 K134 R135 F168 A171 E172	C133-M137 VanDerWaalsContact O-CG 3.29Å; C133-M137 WeakPolarHBondContact O-CG 3.47Å; C133-M137 PolarHBondContact O-N 3.4Å; K134-M137 PolarHBondContact O-N 2.94Å; R135-M137 PolarHBondContact O-N 2.89Å; M137-F168 HydrophobicContact CE-CE1 4.31Å; M137-F168 HydrophobicContact CE-CE2 3.78Å; M137-F168 HydrophobicContact CE-CZ 3.66Å; M137-F168 HydrophobicContact CG-CE2 4.38Å; M137-F168 HydrophobicContact SD-CD2 4.34Å; M137-F168 HydrophobicContact SD-CE2 3.97Å; M137-F168 HydrophobicContact SD-CZ 4.45Å; M137-A171 HydrophobicContact SD-CB 4.08Å; M137-E172 HydrophobicContact CE-CB 3.73Å; M137-E172 HydrophobicContact CE-CG 3.7Å
138	Q	82.7	Confident	91.3	Very high	28 Å²	28	47 Å²	47	13%	0.131	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.1	-173.6	-62.5	-150.2	24.1	0	0	114.4	K134 R135 T136 K140 L143	K134-Q138 WeakPolarHBondContact O-CG 3.4Å; R135-Q138 PolarHBondContact O-N 3.32Å; R135-Q138 VanDerWaalsContact O-N 3.13Å; T136-Q138 VanDerWaalsContact C-N 3.29Å; T136-Q138 PolarHBondContact O-N 3.15Å; Q138-K140 VanDerWaalsContact C-N 3.28Å; Q138-K140 WeakPolarHBondContact O-CG 3.45Å; Q138-K140 PolarHBondContact O-N 3.4Å; Q138-L143 HydrophobicContact CB-CD1 3.66Å; Q138-L143 HydrophobicContact CG-CD1 3.88Å
139	N	79.9	Confident	91.3	Very high	153 Å²	153	46.7 Å²	46.7	82%	0.818	25%	0.247	S	C	*	.			trans	45.9	47.1	179.3	-65	-12	0	0	0	113.7	T136	T136-N139 PolarHBondContact O-OD1 3.46Å
140	K	83.5	Confident	91.3	Very high	73 Å²	73	48.9 Å²	48.9	32%	0.317	26%	0.264	S	S	.	.			trans	-126.7	128	177.1	-71.5	170.6	-168.4	158.9	0	109.3	Q138 R142 L143 E144	Q138-K140 VanDerWaalsContact C-N 3.28Å; Q138-K140 WeakPolarHBondContact O-CG 3.45Å; Q138-K140 PolarHBondContact O-N 3.4Å; K140-R142 HydrophobicContact CB-CG 4.35Å; K140-R142 PolarHBondContact O-N 3.22Å; K140-R142 VanDerWaalsContact O-N 3.13Å; K140-L143 HydrophobicContact CB-CB 4.44Å; K140-L143 HydrophobicContact CB-CD1 4.45Å; K140-L143 HydrophobicContact CB-CG 4.47Å; K140-L143 HydrophobicContact CD-CD1 4.16Å; K140-L143 WeakPolarHBondContact O-CA 3.46Å; K140-L143 PolarHBondContact O-N 3.36Å; K140-E144 PolarHBondContact O-N 3.34Å
141	A	82.2	Confident	91.3	Very high	86 Å²	86	54.3 Å²	54.3	71%	0.711	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-51	-40.2	177.9	0	0	0	0	0	113.3	L143 E144	A141-L143 PolarHBondContact O-N 2.88Å; A141-E144 VanDerWaalsContact O-CB 3.26Å; A141-E144 WeakPolarHBondContact O-CB 3.26Å; A141-E144 PolarHBondContact O-N 3.02Å; A141-E144 VanDerWaalsContact O-N 3.16Å
142	R	81.6	Confident	91.3	Very high	113 Å²	113	54.9 Å²	54.9	43%	0.426	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-64.6	-11.6	177.4	77.6	176.2	176.7	78.3	-3.2	115.5	K140 D190	K140-R142 HydrophobicContact CB-CG 4.35Å; K140-R142 PolarHBondContact O-N 3.22Å; K140-R142 VanDerWaalsContact O-N 3.13Å; R142-D190 IonicContact CZ-OD2 3.32Å; R142-D190 VanDerWaalsContact CZ-OD2 3.32Å; R142-D190 IonicContact NH1-OD2 2.87Å; R142-D190 PolarHBondContact NH1-OD2 3.41Å; R142-D190 IonicContact NH2-OD2 2.78Å; R142-D190 PolarHBondContact NH2-OD2 3.2Å
143	L	85.6	Confident	91.3	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.079	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-118.3	2.3	-179	-67.3	180	0	0	0	111.9	R135 Q138 K140 A141 D190	R135-L143 PolarHBondContact NE-O 3.16Å; R135-L143 PolarHBondContact NH2-O 3.23Å; Q138-L143 HydrophobicContact CB-CD1 3.66Å; Q138-L143 HydrophobicContact CG-CD1 3.88Å; K140-L143 HydrophobicContact CB-CB 4.44Å; K140-L143 HydrophobicContact CB-CD1 4.45Å; K140-L143 HydrophobicContact CB-CG 4.47Å; K140-L143 HydrophobicContact CD-CD1 4.16Å; K140-L143 WeakPolarHBondContact O-CA 3.46Å; K140-L143 PolarHBondContact O-N 3.36Å; A141-L143 PolarHBondContact O-N 2.88Å; L143-D190 HydrophobicContact CD2-CB 4.3Å
144	E	90.8	Very high	91.4	Very high	145 Å²	145	57.3 Å²	57.3	68%	0.678	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-54.5	141.3	173.8	-171.4	165.5	-162.9	0	0	109.5	R135 K140 A141	R135-E144 PolarHBondContact NH2-O 3.3Å; K140-E144 PolarHBondContact O-N 3.34Å; A141-E144 VanDerWaalsContact O-CB 3.26Å; A141-E144 WeakPolarHBondContact O-CB 3.26Å; A141-E144 PolarHBondContact O-N 3.02Å; A141-E144 VanDerWaalsContact O-N 3.16Å
145	L	93.8	Very high	91.5	Very high	29 Å²	29	62.8 Å²	62.8	15%	0.152	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-72.8	135.5	-178.6	-63.4	-170.8	0	0	0	109.1	L132 R135 T136 E149 A150 L153	L132-L145 HydrophobicContact CD2-CD2 3.83Å; R135-L145 HydrophobicContact CB-CD2 3.93Å; T136-L145 HydrophobicContact CG2-CD1 3.49Å; T136-L145 VanDerWaalsContact CG2-CD1 3.49Å; T136-L145 HydrophobicContact CG2-CG 3.88Å; L145-E149 HydrophobicContact CB-CB 4.06Å; L145-E149 HydrophobicContact CD2-CB 4.27Å; L145-A150 HydrophobicContact CB-CB 4.34Å; L145-L153 HydrophobicContact CD1-CB 4.34Å; L145-L153 HydrophobicContact CD1-CD2 3.67Å
146	A	94.6	Very high	91.7	Very high	31 Å²	31	63 Å²	63	26%	0.256	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-67.1	161.2	164.4	0	0	0	0	0	110.2	Y148 E149 A150	A146-Y148 VanDerWaalsContact C-N 3.31Å; A146-Y148 HydrophobicContact CB-CD1 3.66Å; A146-Y148 HydrophobicContact CB-CE1 3.51Å; A146-Y148 PolarHBondContact O-N 3.06Å; A146-E149 HydrophobicContact CB-CG 4.24Å; A146-E149 PolarHBondContact N-OE2 2.83Å; A146-E149 WeakPolarHBondContact O-CA 3.23Å; A146-E149 WeakPolarHBondContact O-CB 3.29Å; A146-E149 PolarHBondContact O-N 3.46Å; A146-A150 PolarHBondContact O-N 3.39Å
147	D	95.8	Very high	91.9	Very high	139 Å²	139	63.8 Å²	63.8	74%	0.743	33%	0.334	S	S	*	.	H	α-helix	trans	-54.6	-45.5	-176.4	-64.1	-30.6	0	0	0	112.4	E149 A150 E151	D147-E149 VanDerWaalsContact C-N 3.27Å; D147-E149 PolarHBondContact O-N 3.27Å; D147-A150 PolarHBondContact O-N 3.23Å; D147-E151 WeakPolarHBondContact O-CG 3.39Å; D147-E151 PolarHBondContact O-N 3.44Å
148	Y	96.2	Very high	92.3	Very high	29 Å²	29	69.8 Å²	69.8	11%	0.114	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-30.3	178.2	80	-85.8	0	0	0	113.2	H97 A146 S152 V203 P204	H97-Y148 PolarHBondContact ND1-OH 2.87Å; H97-Y148 VanDerWaalsContact ND1-OH 3.15Å; A146-Y148 VanDerWaalsContact C-N 3.31Å; A146-Y148 HydrophobicContact CB-CD1 3.66Å; A146-Y148 HydrophobicContact CB-CE1 3.51Å; A146-Y148 PolarHBondContact O-N 3.06Å; Y148-S152 WeakPolarHBondContact O-CB 3.38Å; Y148-S152 PolarHBondContact O-N 3.39Å; Y148-S152 PolarHBondContact O-OG 3.36Å; Y148-V203 HydrophobicContact CE1-CG1 4.48Å; Y148-V203 HydrophobicContact CE1-CG2 3.98Å; Y148-P204 HydrophobicContact CG-CG 4.4Å
149	E	97.2	Very high	92.9	Very high	1 Å²	1	72 Å²	72	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-74.6	-40.8	175.5	-61.4	-172.7	116	0	0	110.6	H97 L132 R135 L145 A146 D147 S152 L153	H97-E149 IonicContact CE1-OE1 3.42Å; H97-E149 IonicContact CE1-OE2 3.53Å; H97-E149 IonicContact NE2-OE2 3.18Å; L132-E149 HydrophobicContact CD2-CB 3.94Å; L132-E149 HydrophobicContact CD2-CG 4.4Å; R135-E149 IonicContact CZ-OE1 2.64Å; R135-E149 IonicContact CZ-OE2 2.75Å; R135-E149 VanDerWaalsContact CZ-OE2 3.26Å; R135-E149 IonicContact NH1-OE1 3.97Å; R135-E149 PolarHBondContact NH1-OE1 2.89Å; R135-E149 IonicContact NH1-OE2 3.05Å; R135-E149 PolarHBondContact NH1-OE2 2.99Å; R135-E149 IonicContact NH2-OE1 3.5Å; R135-E149 IonicContact NH2-OE2 2.66Å; R135-E149 PolarHBondContact NH2-OE2 3.25Å; L145-E149 HydrophobicContact CB-CB 4.06Å; L145-E149 HydrophobicContact CD2-CB 4.27Å; A146-E149 HydrophobicContact CB-CG 4.24Å; A146-E149 PolarHBondContact N-OE2 2.83Å; A146-E149 WeakPolarHBondContact O-CA 3.23Å; A146-E149 WeakPolarHBondContact O-CB 3.29Å; A146-E149 PolarHBondContact O-N 3.46Å; D147-E149 VanDerWaalsContact C-N 3.27Å; D147-E149 PolarHBondContact O-N 3.27Å; E149-S152 WeakPolarHBondContact O-CB 3.19Å; E149-S152 PolarHBondContact O-N 2.94Å; E149-L153 WeakPolarHBondContact O-CB 3.4Å; E149-L153 PolarHBondContact O-N 3.27Å
150	A	96.6	Very high	93.7	Very high	45 Å²	45	67 Å²	67	37%	0.372	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-42.6	175.3	0	0	0	0	0	111.5	L145 A146 D147 S152 L153 A154	L145-A150 HydrophobicContact CB-CB 4.34Å; A146-A150 PolarHBondContact O-N 3.39Å; D147-A150 PolarHBondContact O-N 3.23Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-S152 PolarHBondContact O-N 3.46Å; A150-L153 WeakPolarHBondContact O-CB 3.47Å; A150-L153 PolarHBondContact O-N 3.47Å; A150-A154 PolarHBondContact O-N 2.88Å
151	E	97.1	Very high	94.3	Very high	115 Å²	115	66.7 Å²	66.7	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-41.2	172.1	-72.3	-177	-174.5	0	0	112.4	D147 A154 R155	D147-E151 WeakPolarHBondContact O-CG 3.39Å; D147-E151 PolarHBondContact O-N 3.44Å; E151-A154 PolarHBondContact O-N 3.05Å; E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 3.05Å; E151-R155 IonicContact OE2-NH1 2.83Å
152	S	96.9	Very high	94.9	Very high	16 Å²	16	74.3 Å²	74.3	11%	0.112	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-45.1	175.6	-64.6	0	0	0	0	111.2	Y148 E149 A150 A154 R155 L156	Y148-S152 WeakPolarHBondContact O-CB 3.38Å; Y148-S152 PolarHBondContact O-N 3.39Å; Y148-S152 PolarHBondContact O-OG 3.36Å; E149-S152 WeakPolarHBondContact O-CB 3.19Å; E149-S152 PolarHBondContact O-N 2.94Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-S152 PolarHBondContact O-N 3.46Å; S152-A154 VanDerWaalsContact C-N 3.35Å; S152-A154 PolarHBondContact O-N 3.01Å; S152-R155 PolarHBondContact O-N 2.78Å; S152-R155 PolarHBondContact OG-NH2 3.42Å; S152-L156 WeakPolarHBondContact O-CD1 3.29Å; S152-L156 WeakPolarHBondContact O-CG 3.34Å; S152-L156 PolarHBondContact O-N 3.35Å
153	L	97.4	Very high	95.5	Very high	15 Å²	15	75.7 Å²	75.7	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-58.3	-46.5	174.7	-178.5	59.6	0	0	0	111.2	L132 T136 L145 E149 A150 R155 L156 Q157 W164	L132-L153 HydrophobicContact CB-CB 4.4Å; L132-L153 HydrophobicContact CB-CD1 3.91Å; L132-L153 HydrophobicContact CD1-CB 3.99Å; T136-L153 HydrophobicContact CG2-CD2 3.81Å; L145-L153 HydrophobicContact CD1-CB 4.34Å; L145-L153 HydrophobicContact CD1-CD2 3.67Å; E149-L153 WeakPolarHBondContact O-CB 3.4Å; E149-L153 PolarHBondContact O-N 3.27Å; A150-L153 WeakPolarHBondContact O-CB 3.47Å; A150-L153 PolarHBondContact O-N 3.47Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 2.73Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L153-Q157 HydrophobicContact CD1-CG 4.32Å; L153-Q157 HydrophobicContact CG-CG 4.47Å; L153-Q157 WeakPolarHBondContact O-CB 3.32Å; L153-Q157 WeakPolarHBondContact O-CG 3.47Å; L153-Q157 PolarHBondContact O-N 2.97Å; L153-W164 HydrophobicContact CD1-CH2 3.53Å; L153-W164 HydrophobicContact CD1-CZ2 4.24Å; L153-W164 HydrophobicContact CD1-CZ3 4.44Å
154	A	97.6	Very high	96	Very high	39 Å²	39	77.3 Å²	77.3	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-36.6	178.2	0	0	0	0	0	112.7	A150 E151 S152 R158	A150-A154 PolarHBondContact O-N 2.88Å; E151-A154 PolarHBondContact O-N 3.05Å; S152-A154 VanDerWaalsContact C-N 3.35Å; S152-A154 PolarHBondContact O-N 3.01Å; A154-R158 PolarHBondContact O-N 3.46Å; A154-R158 PolarHBondContact O-NE 2.83Å
155	R	97.7	Very high	96.2	Very high	119 Å²	119	77.8 Å²	77.8	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-65.7	-44.4	172.3	-73.5	-173.4	-65	-94.7	3.5	111.7	E151 S152 L153 R158 A159	E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 3.05Å; E151-R155 IonicContact OE2-NH1 2.83Å; S152-R155 PolarHBondContact O-N 2.78Å; S152-R155 PolarHBondContact OG-NH2 3.42Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 2.73Å; R155-R158 PolarHBondContact O-N 3.46Å; R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 3.01Å
156	L	97.4	Very high	96.3	Very high	14 Å²	14	83.1 Å²	83.1	7%	0.073	41%	0.408	C	S	.	.	H	α-helix	trans	-68.3	-38.9	-178.9	-67	164.5	0	0	0	112.1	N125 Y128 A129 L132 S152 L153 R158 A159 F160	N125-L156 HydrophobicContact CB-CD2 3.81Å; Y128-L156 HydrophobicContact CD1-CD1 3.75Å; Y128-L156 HydrophobicContact CE1-CD1 4.38Å; Y128-L156 HydrophobicContact CG-CD1 4.45Å; A129-L156 HydrophobicContact CB-CB 4.12Å; A129-L156 HydrophobicContact CB-CD1 4.07Å; L132-L156 HydrophobicContact CD1-CD1 4.09Å; S152-L156 WeakPolarHBondContact O-CD1 3.29Å; S152-L156 WeakPolarHBondContact O-CG 3.34Å; S152-L156 PolarHBondContact O-N 3.35Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 2.93Å; L156-A159 PolarHBondContact O-N 3.02Å; L156-F160 HydrophobicContact CB-CD2 4.31Å; L156-F160 HydrophobicContact CD2-CD2 4.25Å; L156-F160 HydrophobicContact CD2-CE2 3.7Å; L156-F160 WeakPolarHBondContact O-CB 3.49Å; L156-F160 WeakPolarHBondContact O-CD2 3.48Å; L156-F160 PolarHBondContact O-N 3.44Å
157	Q	96.8	Very high	96.3	Very high	81 Å²	81	81.9 Å²	81.9	38%	0.379	40%	0.397	S	S	.	.	H	α-helix	trans	-58.6	-42.6	173	-78.6	176.4	-20	0	0	111.7	L153 A161 W164	L153-Q157 HydrophobicContact CD1-CG 4.32Å; L153-Q157 HydrophobicContact CG-CG 4.47Å; L153-Q157 WeakPolarHBondContact O-CB 3.32Å; L153-Q157 WeakPolarHBondContact O-CG 3.47Å; L153-Q157 PolarHBondContact O-N 2.97Å; Q157-A161 VanDerWaalsContact O-CA 3.26Å; Q157-A161 WeakPolarHBondContact O-CA 3.19Å; Q157-A161 PolarHBondContact O-N 2.59Å; Q157-W164 HydrophobicContact CB-CE3 4.37Å; Q157-W164 HydrophobicContact CB-CZ3 4.31Å; Q157-W164 HydrophobicContact CG-CD2 4Å; Q157-W164 HydrophobicContact CG-CE3 3.8Å; Q157-W164 HydrophobicContact CG-CH2 3.39Å; Q157-W164 HydrophobicContact CG-CZ2 3.55Å; Q157-W164 HydrophobicContact CG-CZ3 3.49Å; Q157-W164 VanDerWaalsContact CG-CZ3 3.49Å
158	R	96.8	Very high	96.3	Very high	180 Å²	180	79.7 Å²	79.7	68%	0.679	38%	0.381	S	S	*	.	H	α-helix	trans	-65.5	-45.9	173.9	-75.3	-178.1	-78.6	125.9	-13.6	111.9	A154 R155 L156 F160	A154-R158 PolarHBondContact O-N 3.46Å; A154-R158 PolarHBondContact O-NE 2.83Å; R155-R158 PolarHBondContact O-N 3.46Å; L156-R158 VanDerWaalsContact C-N 3.3Å; L156-R158 PolarHBondContact O-N 2.93Å; R158-F160 VanDerWaalsContact C-N 3.35Å; R158-F160 PolarHBondContact O-N 3.37Å
159	A	96.3	Very high	96.2	Very high	74 Å²	74	83.8 Å²	83.8	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-65.5	-35.9	-178.9	0	0	0	0	0	113.1	R155 L156	R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 3.01Å; L156-A159 PolarHBondContact O-N 3.02Å
160	F	96.4	Very high	96	Very high	47 Å²	47	87 Å²	87	21%	0.206	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	22.7	-175.4	-58.5	-53.3	0	0	0	113.8	N125 A129 L156 R158 R162 K163 W164 I167	N125-F160 HydrophobicContact CB-CE2 3.98Å; N125-F160 HydrophobicContact CB-CZ 3.89Å; A129-F160 HydrophobicContact CB-CD2 4.36Å; L156-F160 HydrophobicContact CB-CD2 4.31Å; L156-F160 HydrophobicContact CD2-CD2 4.25Å; L156-F160 HydrophobicContact CD2-CE2 3.7Å; L156-F160 WeakPolarHBondContact O-CB 3.49Å; L156-F160 WeakPolarHBondContact O-CD2 3.48Å; L156-F160 PolarHBondContact O-N 3.44Å; R158-F160 VanDerWaalsContact C-N 3.35Å; R158-F160 PolarHBondContact O-N 3.37Å; F160-R162 PolarHBondContact O-N 3.14Å; F160-K163 CarbonylContact O-C 3.42Å; F160-K163 WeakPolarHBondContact O-CA 3.41Å; F160-K163 PolarHBondContact O-N 3Å; F160-W164 PolarHBondContact O-N 3.45Å; F160-I167 HydrophobicContact CB-CD1 3.69Å; F160-I167 HydrophobicContact CD2-CD1 3.97Å; F160-I167 HydrophobicContact CG-CD1 4.02Å
161	A	95.9	Very high	95.9	Very high	68 Å²	68	84.9 Å²	84.9	56%	0.562	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-49	-41.6	-173.7	0	0	0	0	0	113.7	Q157 K163	Q157-A161 VanDerWaalsContact O-CA 3.26Å; Q157-A161 WeakPolarHBondContact O-CA 3.19Å; Q157-A161 PolarHBondContact O-N 2.59Å; A161-K163 VanDerWaalsContact C-N 3.34Å; A161-K163 PolarHBondContact O-N 3.29Å
162	R	94.8	Very high	95.8	Very high	246 Å²	246	82.9 Å²	82.9	93%	0.928	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-73.2	-21	179.3	-66.4	-177.6	176.8	174.2	-1.1	114.8	F160	F160-R162 PolarHBondContact O-N 3.14Å
163	K	93.9	Very high	95.6	Very high	141 Å²	141	84.5 Å²	84.5	61%	0.613	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-109.4	4.5	-179.1	-63.9	-175.7	179.6	-178.3	0	112.3	F160 A161 E165 F166 I167	F160-K163 CarbonylContact O-C 3.42Å; F160-K163 WeakPolarHBondContact O-CA 3.41Å; F160-K163 PolarHBondContact O-N 3Å; A161-K163 VanDerWaalsContact C-N 3.34Å; A161-K163 PolarHBondContact O-N 3.29Å; K163-E165 VanDerWaalsContact C-N 3.3Å; K163-E165 PolarHBondContact O-N 3.44Å; K163-F166 HydrophobicContact CB-CD2 4.46Å; K163-F166 WeakPolarHBondContact O-CB 3.47Å; K163-F166 PolarHBondContact O-N 3.07Å; K163-F166 VanDerWaalsContact O-N 3.09Å; K163-I167 PolarHBondContact O-N 3.16Å
164	W	95.7	Very high	95.3	Very high	49 Å²	49	86.3 Å²	86.3	19%	0.186	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-36.7	-171.2	-170.8	-103	0	0	0	112.8	A129 C133 L153 Q157 F160 F166 I167 F168	A129-W164 HydrophobicContact CB-CZ3 4.21Å; C133-W164 HydrophobicContact CB-CH2 4.35Å; C133-W164 HydrophobicContact CB-CZ2 4.33Å; L153-W164 HydrophobicContact CD1-CH2 3.53Å; L153-W164 HydrophobicContact CD1-CZ2 4.24Å; L153-W164 HydrophobicContact CD1-CZ3 4.44Å; Q157-W164 HydrophobicContact CB-CE3 4.37Å; Q157-W164 HydrophobicContact CB-CZ3 4.31Å; Q157-W164 HydrophobicContact CG-CD2 4Å; Q157-W164 HydrophobicContact CG-CE3 3.8Å; Q157-W164 HydrophobicContact CG-CH2 3.39Å; Q157-W164 HydrophobicContact CG-CZ2 3.55Å; Q157-W164 HydrophobicContact CG-CZ3 3.49Å; Q157-W164 VanDerWaalsContact CG-CZ3 3.49Å; F160-W164 PolarHBondContact O-N 3.45Å; W164-F166 VanDerWaalsContact C-N 3.28Å; W164-F166 PolarHBondContact O-N 3.42Å; W164-I167 HydrophobicContact CE3-CB 4.46Å; W164-I167 HydrophobicContact CE3-CD1 4.02Å; W164-I167 HydrophobicContact CE3-CG2 4.37Å; W164-I167 HydrophobicContact CH2-CG2 4.28Å; W164-I167 HydrophobicContact CZ3-CD1 4.23Å; W164-I167 HydrophobicContact CZ3-CG2 4.08Å; W164-I167 WeakPolarHBondContact O-CB 3.4Å; W164-I167 PolarHBondContact O-N 2.99Å; W164-I167 VanDerWaalsContact O-N 3.17Å; W164-F168 WeakPolarHBondContact O-CB 3.31Å; W164-F168 PolarHBondContact O-N 2.99Å
165	E	95.2	Very high	95	Very high	156 Å²	156	84.8 Å²	84.8	73%	0.729	40%	0.401	S	S	*	.	H	α-helix	trans	-58.9	-38.7	176.2	-66.2	-172.4	163.7	0	0	112.4	K163 F168 M169	K163-E165 VanDerWaalsContact C-N 3.3Å; K163-E165 PolarHBondContact O-N 3.44Å; E165-F168 PolarHBondContact O-N 3.34Å; E165-M169 WeakPolarHBondContact O-CB 3.15Å; E165-M169 PolarHBondContact O-N 3.16Å
166	F	94.9	Very high	94.7	Very high	141 Å²	141	84.2 Å²	84.2	62%	0.618	40%	0.402	S	S	*	.	H	α-helix	trans	-69.2	-40.5	176.4	-60.5	-73.9	0	0	0	111.9	K163 W164 F168 M169 Q170	K163-F166 HydrophobicContact CB-CD2 4.46Å; K163-F166 WeakPolarHBondContact O-CB 3.47Å; K163-F166 PolarHBondContact O-N 3.07Å; K163-F166 VanDerWaalsContact O-N 3.09Å; W164-F166 VanDerWaalsContact C-N 3.28Å; W164-F166 PolarHBondContact O-N 3.42Å; F166-F168 VanDerWaalsContact C-N 3.34Å; F166-M169 PolarHBondContact O-N 2.82Å; F166-Q170 WeakPolarHBondContact O-CB 3.44Å; F166-Q170 PolarHBondContact O-N 3.34Å
167	I	94.8	Very high	94.4	Very high	4 Å²	4	86.6 Å²	86.6	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-60.7	-45.9	175	-67.1	172	0	0	0	110	T126 A129 V130 F160 K163 W164 Q170 A171	T126-I167 HydrophobicContact CG2-CD1 4.46Å; T126-I167 HydrophobicContact CG2-CG1 4.28Å; A129-I167 HydrophobicContact CB-CD1 4.07Å; A129-I167 HydrophobicContact CB-CG2 4Å; V130-I167 HydrophobicContact CG2-CB 4.48Å; V130-I167 HydrophobicContact CG2-CG2 3.89Å; F160-I167 HydrophobicContact CB-CD1 3.69Å; F160-I167 HydrophobicContact CD2-CD1 3.97Å; F160-I167 HydrophobicContact CG-CD1 4.02Å; K163-I167 PolarHBondContact O-N 3.16Å; W164-I167 HydrophobicContact CE3-CB 4.46Å; W164-I167 HydrophobicContact CE3-CD1 4.02Å; W164-I167 HydrophobicContact CE3-CG2 4.37Å; W164-I167 HydrophobicContact CH2-CG2 4.28Å; W164-I167 HydrophobicContact CZ3-CD1 4.23Å; W164-I167 HydrophobicContact CZ3-CG2 4.08Å; W164-I167 WeakPolarHBondContact O-CB 3.4Å; W164-I167 PolarHBondContact O-N 2.99Å; W164-I167 VanDerWaalsContact O-N 3.17Å; I167-Q170 PolarHBondContact O-N 3.09Å; I167-A171 WeakPolarHBondContact O-CB 3.15Å; I167-A171 PolarHBondContact O-N 3.36Å
168	F	95.9	Very high	94	Very high	94 Å²	94	83.4 Å²	83.4	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-45.6	177.6	-176.9	-92.2	0	0	0	111.7	M137 W164 E165 F166 Q170 A171 E172	M137-F168 HydrophobicContact CE-CE1 4.31Å; M137-F168 HydrophobicContact CE-CE2 3.78Å; M137-F168 HydrophobicContact CE-CZ 3.66Å; M137-F168 HydrophobicContact CG-CE2 4.38Å; M137-F168 HydrophobicContact SD-CD2 4.34Å; M137-F168 HydrophobicContact SD-CE2 3.97Å; M137-F168 HydrophobicContact SD-CZ 4.45Å; W164-F168 WeakPolarHBondContact O-CB 3.31Å; W164-F168 PolarHBondContact O-N 2.99Å; E165-F168 PolarHBondContact O-N 3.34Å; F166-F168 VanDerWaalsContact C-N 3.34Å; F168-Q170 VanDerWaalsContact C-N 3.33Å; F168-Q170 PolarHBondContact O-N 3.48Å; F168-A171 PolarHBondContact O-N 3.35Å; F168-E172 WeakPolarHBondContact O-CB 3.45Å; F168-E172 PolarHBondContact O-N 3.3Å
169	M	94.1	Very high	93.6	Very high	115 Å²	115	81.4 Å²	81.4	57%	0.567	40%	0.399	S	S	*	.	H	α-helix	trans	-60.8	-42	178	-167.7	-174.6	-53.4	0	0	111.9	E165 F166 E172 A173	E165-M169 WeakPolarHBondContact O-CB 3.15Å; E165-M169 PolarHBondContact O-N 3.16Å; F166-M169 PolarHBondContact O-N 2.82Å; M169-E172 PolarHBondContact O-N 3.11Å; M169-A173 WeakPolarHBondContact O-CB 3.23Å; M169-A173 PolarHBondContact O-N 2.97Å
170	Q	94.4	Very high	93.4	Very high	69 Å²	69	86.5 Å²	86.5	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-66.4	-43.7	176.3	-170.2	176.3	-1.5	0	0	111.8	V130 F166 I167 F168 E172 A173 Q174	V130-Q170 HydrophobicContact CG1-CB 4.49Å; V130-Q170 HydrophobicContact CG1-CG 4.16Å; V130-Q170 HydrophobicContact CG2-CB 4.24Å; V130-Q170 HydrophobicContact CG2-CG 4.24Å; F166-Q170 WeakPolarHBondContact O-CB 3.44Å; F166-Q170 PolarHBondContact O-N 3.34Å; I167-Q170 PolarHBondContact O-N 3.09Å; F168-Q170 VanDerWaalsContact C-N 3.33Å; F168-Q170 PolarHBondContact O-N 3.48Å; Q170-E172 VanDerWaalsContact C-N 3.33Å; Q170-E172 PolarHBondContact O-N 3.16Å; Q170-A173 PolarHBondContact O-N 2.83Å; Q170-Q174 PolarHBondContact O-N 3.4Å
171	A	94.4	Very high	93.1	Very high	0 Å²	0	88.7 Å²	88.7	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-61.3	-41.3	175.3	0	0	0	0	0	112	V130 C133 K134 M137 I167 F168 Q174 A175	V130-A171 HydrophobicContact CG1-CB 4.17Å; C133-A171 HydrophobicContact CB-CB 3.94Å; K134-A171 HydrophobicContact CB-CB 4.07Å; M137-A171 HydrophobicContact SD-CB 4.08Å; I167-A171 WeakPolarHBondContact O-CB 3.15Å; I167-A171 PolarHBondContact O-N 3.36Å; F168-A171 PolarHBondContact O-N 3.35Å; A171-Q174 PolarHBondContact O-N 3.24Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 3.12Å
172	E	94.2	Very high	93	Very high	72 Å²	72	89.7 Å²	89.7	34%	0.336	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-44.7	176.6	-160	-158.7	-170.2	0	0	111.8	M137 F168 M169 Q170 Q174 A175 K176	M137-E172 HydrophobicContact CE-CB 3.73Å; M137-E172 HydrophobicContact CE-CG 3.7Å; F168-E172 WeakPolarHBondContact O-CB 3.45Å; F168-E172 PolarHBondContact O-N 3.3Å; M169-E172 PolarHBondContact O-N 3.11Å; Q170-E172 VanDerWaalsContact C-N 3.33Å; Q170-E172 PolarHBondContact O-N 3.16Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-Q174 PolarHBondContact O-N 3.04Å; E172-A175 PolarHBondContact O-N 2.94Å; E172-K176 HydrophobicContact CG-CD 4.49Å; E172-K176 WeakPolarHBondContact O-CG 3.33Å; E172-K176 PolarHBondContact O-N 3.4Å; E172-K176 VanDerWaalsContact OE1-CE 3.32Å; E172-K176 WeakPolarHBondContact OE1-CE 3.32Å; E172-K176 IonicContact OE1-NZ 2.98Å; E172-K176 PolarHBondContact OE1-NZ 2.81Å; E172-K176 IonicContact OE2-NZ 3.74Å; E172-K176 PolarHBondContact OE2-NZ 3.34Å
173	A	93.5	Very high	92.7	Very high	51 Å²	51	86.5 Å²	86.5	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-44.8	176.6	0	0	0	0	0	111.3	M169 Q170 K176 V177	M169-A173 WeakPolarHBondContact O-CB 3.23Å; M169-A173 PolarHBondContact O-N 2.97Å; Q170-A173 PolarHBondContact O-N 2.83Å; A173-K176 WeakPolarHBondContact O-CB 3.3Å; A173-K176 PolarHBondContact O-N 3.06Å; A173-V177 PolarHBondContact O-N 2.91Å; A173-V177 VanDerWaalsContact O-N 3.12Å
174	Q	91.1	Very high	92.4	Very high	52 Å²	52	83.8 Å²	83.8	24%	0.243	39%	0.394	C	S	.	.	H	α-helix	trans	-64.1	-44.4	176.1	-170.2	60.6	51.7	0	0	111.5	K134 Q170 A171 E172 K176 V177 D178	K134-Q174 HydrophobicContact CD-CB 3.87Å; K134-Q174 HydrophobicContact CD-CG 3.57Å; Q170-Q174 PolarHBondContact O-N 3.4Å; A171-Q174 PolarHBondContact O-N 3.24Å; E172-Q174 VanDerWaalsContact C-N 3.34Å; E172-Q174 PolarHBondContact O-N 3.04Å; Q174-K176 VanDerWaalsContact C-N 3.27Å; Q174-K176 PolarHBondContact O-N 3.47Å; Q174-V177 WeakPolarHBondContact O-CB 3.38Å; Q174-V177 PolarHBondContact O-N 2.95Å; Q174-V177 VanDerWaalsContact O-N 3.1Å; Q174-D178 PolarHBondContact NE2-OD1 2.98Å; Q174-D178 PolarHBondContact O-N 3.12Å
175	A	90.4	Very high	92.1	Very high	8 Å²	8	85.2 Å²	85.2	7%	0.066	40%	0.403	C	S	.	.	H	α-helix	trans	-60.6	-35.1	176.1	0	0	0	0	0	112.6	K134 A171 E172 K179	K134-A175 HydrophobicContact CG-CB 4.13Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 3.12Å; E172-A175 PolarHBondContact O-N 2.94Å; A175-K179 WeakPolarHBondContact O-CB 3.33Å; A175-K179 VanDerWaalsContact O-CG 3.27Å; A175-K179 WeakPolarHBondContact O-CG 3.48Å; A175-K179 PolarHBondContact O-N 3.09Å
176	K	92.2	Very high	91.9	Very high	106 Å²	106	80 Å²	80	46%	0.461	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-39.9	174.3	-75.7	167	179.6	163.5	0	111.6	E172 A173 Q174 K179	E172-K176 HydrophobicContact CG-CD 4.49Å; E172-K176 WeakPolarHBondContact O-CG 3.33Å; E172-K176 PolarHBondContact O-N 3.4Å; E172-K176 VanDerWaalsContact OE1-CE 3.32Å; E172-K176 WeakPolarHBondContact OE1-CE 3.32Å; E172-K176 IonicContact OE1-NZ 2.98Å; E172-K176 PolarHBondContact OE1-NZ 2.81Å; E172-K176 IonicContact OE2-NZ 3.74Å; E172-K176 PolarHBondContact OE2-NZ 3.34Å; A173-K176 WeakPolarHBondContact O-CB 3.3Å; A173-K176 PolarHBondContact O-N 3.06Å; Q174-K176 VanDerWaalsContact C-N 3.27Å; Q174-K176 PolarHBondContact O-N 3.47Å; K176-K179 PolarHBondContact O-N 2.83Å
177	V	90.4	Very high	91.7	Very high	65 Å²	65	76.9 Å²	76.9	39%	0.394	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-47.5	174.1	174.7	0	0	0	0	110.7	A173 Q174 K179 K180	A173-V177 PolarHBondContact O-N 2.91Å; A173-V177 VanDerWaalsContact O-N 3.12Å; Q174-V177 WeakPolarHBondContact O-CB 3.38Å; Q174-V177 PolarHBondContact O-N 2.95Å; Q174-V177 VanDerWaalsContact O-N 3.1Å; V177-K179 PolarHBondContact O-N 3.33Å; V177-K180 WeakPolarHBondContact O-CB 3.32Å; V177-K180 PolarHBondContact O-N 2.64Å
178	D	88.4	Confident	91.5	Very high	14 Å²	14	78.3 Å²	78.3	8%	0.075	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-32	179.9	-62.6	-9.7	0	0	0	111.3	K134 Q174 K180 R181 R186	K134-D178 IonicContact NZ-OD2 2.95Å; K134-D178 PolarHBondContact NZ-OD2 3.15Å; Q174-D178 PolarHBondContact NE2-OD1 2.98Å; Q174-D178 PolarHBondContact O-N 3.12Å; D178-K180 VanDerWaalsContact C-N 3.27Å; D178-K180 PolarHBondContact O-N 3.01Å; D178-R181 PolarHBondContact O-N 2.62Å; D178-R186 VanDerWaalsContact O-CD 3.3Å; D178-R186 WeakPolarHBondContact O-CD 3.41Å; D178-R186 PolarHBondContact O-NE 3.18Å
179	K	89.1	Confident	91.4	Very high	138 Å²	138	76.3 Å²	76.3	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-24.8	176.3	-81.2	175.3	-174.7	178	0	114.5	A175 K176 V177 R186	A175-K179 WeakPolarHBondContact O-CB 3.33Å; A175-K179 VanDerWaalsContact O-CG 3.27Å; A175-K179 WeakPolarHBondContact O-CG 3.48Å; A175-K179 PolarHBondContact O-N 3.09Å; K176-K179 PolarHBondContact O-N 2.83Å; V177-K179 PolarHBondContact O-N 3.33Å; K179-R186 PolarHBondContact O-NH2 2.97Å
180	K	91.4	Very high	91.3	Very high	180 Å²	180	71.2 Å²	71.2	78%	0.783	34%	0.338	S	S	*	.	H	α-helix	trans	-77.7	-21.2	-179.8	-63.3	178	-178.3	-178.1	0	113.1	V177 D178	V177-K180 WeakPolarHBondContact O-CB 3.32Å; V177-K180 PolarHBondContact O-N 2.64Å; D178-K180 VanDerWaalsContact C-N 3.27Å; D178-K180 PolarHBondContact O-N 3.01Å
181	R	90.7	Very high	91.3	Very high	94 Å²	94	68.6 Å²	68.6	36%	0.355	33%	0.328	S	S	.	.	S	Bend	trans	-76.4	157.3	179.1	-61.3	-170.2	-170.8	-165.1	4.3	111.6	D178 R186	D178-R181 PolarHBondContact O-N 2.62Å; R181-R186 HydrophobicContact CB-CB 4.46Å; R181-R186 PolarHBondContact O-NH2 3.45Å
182	D	93	Very high	91.4	Very high	88 Å²	88	69.9 Å²	69.9	47%	0.471	33%	0.334	S	S	.	.			trans	-65.2	160.2	176.7	81.8	72.7	0	0	0	111.7	I184 E185 R186	D182-I184 VanDerWaalsContact C-N 3.3Å; D182-I184 PolarHBondContact O-N 2.71Å; D182-I184 WeakPolarHBondContact OD1-CA 3.34Å; D182-I184 WeakPolarHBondContact OD1-CB 3.36Å; D182-I184 PolarHBondContact OD1-N 3.04Å; D182-E185 PolarHBondContact OD1-N 3.25Å; D182-E185 WeakPolarHBondContact OD2-CB 3.49Å; D182-R186 WeakPolarHBondContact O-CB 3.29Å; D182-R186 PolarHBondContact O-N 3.09Å
183	K	89	Confident	91.5	Very high	179 Å²	179	67.3 Å²	67.3	78%	0.778	32%	0.322	S	S	*	.	H	α-helix	trans	-63.6	-35.1	-173	-176.9	178.8	178.1	-179.8	0	112.7	K187	K183-K187 PolarHBondContact O-N 3.06Å
184	I	87.8	Confident	91.7	Very high	85 Å²	85	66.1 Å²	66.1	44%	0.436	31%	0.306	S	S	.	.	H	α-helix	trans	-76.4	-52	-176.7	-68.7	173.3	0	0	0	109.3	P54 D182 R186 K187 I188	P54-I184 HydrophobicContact CG-CG2 3.53Å; D182-I184 VanDerWaalsContact C-N 3.3Å; D182-I184 PolarHBondContact O-N 2.71Å; D182-I184 WeakPolarHBondContact OD1-CA 3.34Å; D182-I184 WeakPolarHBondContact OD1-CB 3.36Å; D182-I184 PolarHBondContact OD1-N 3.04Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 3.07Å; I184-K187 WeakPolarHBondContact O-CB 3.44Å; I184-K187 PolarHBondContact O-N 2.67Å; I184-K187 VanDerWaalsContact O-N 3.09Å; I184-I188 HydrophobicContact CG2-CD1 4.23Å; I184-I188 PolarHBondContact O-N 3.43Å; I184-I188 VanDerWaalsContact O-N 3.11Å
185	E	89.8	Confident	92	Very high	79 Å²	79	63.6 Å²	63.6	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-56.2	-47.4	178	-172	-160.2	176.4	0	0	110.7	D182 K187 I188 L189	D182-E185 PolarHBondContact OD1-N 3.25Å; D182-E185 WeakPolarHBondContact OD2-CB 3.49Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.03Å; E185-I188 WeakPolarHBondContact O-CB 3.34Å; E185-I188 PolarHBondContact O-N 3.47Å; E185-L189 HydrophobicContact CG-CD1 3.78Å; E185-L189 WeakPolarHBondContact O-CD1 3.36Å; E185-L189 WeakPolarHBondContact O-CG 3.29Å; E185-L189 PolarHBondContact O-N 2.77Å
186	R	91.3	Very high	92.4	Very high	46 Å²	46	63.3 Å²	63.3	17%	0.174	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-41.4	176.1	-165.8	-169.8	-34.7	-168.8	-1.5	112.8	D178 K179 R181 D182 I184 I188 L189 D190	D178-R186 VanDerWaalsContact O-CD 3.3Å; D178-R186 WeakPolarHBondContact O-CD 3.41Å; D178-R186 PolarHBondContact O-NE 3.18Å; K179-R186 PolarHBondContact O-NH2 2.97Å; R181-R186 HydrophobicContact CB-CB 4.46Å; R181-R186 PolarHBondContact O-NH2 3.45Å; D182-R186 WeakPolarHBondContact O-CB 3.29Å; D182-R186 PolarHBondContact O-N 3.09Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 3.07Å; R186-I188 VanDerWaalsContact C-N 3.28Å; R186-I188 PolarHBondContact O-N 3.4Å; R186-L189 PolarHBondContact O-N 2.91Å; R186-D190 WeakPolarHBondContact O-CB 3.34Å; R186-D190 PolarHBondContact O-N 3.14Å
187	K	89.7	Confident	92.6	Very high	75 Å²	75	58.3 Å²	58.3	33%	0.326	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-33.9	177.5	-173.7	179.8	176.6	-175.9	0	111.7	K183 I184 E185 S191	K183-K187 PolarHBondContact O-N 3.06Å; I184-K187 WeakPolarHBondContact O-CB 3.44Å; I184-K187 PolarHBondContact O-N 2.67Å; I184-K187 VanDerWaalsContact O-N 3.09Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.03Å; K187-S191 PolarHBondContact O-N 3.46Å; K187-S191 PolarHBondContact O-OG 3.06Å
188	I	91.1	Very high	93	Very high	34 Å²	34	55.4 Å²	55.4	17%	0.174	25%	0.252	C	S	.	.	H	α-helix	trans	-70.2	-49.6	176.6	-64.2	171.2	0	0	0	110.1	P54 I184 E185 R186 D190 S191 Q192	P54-I188 HydrophobicContact CG-CD1 4.29Å; I184-I188 HydrophobicContact CG2-CD1 4.23Å; I184-I188 PolarHBondContact O-N 3.43Å; I184-I188 VanDerWaalsContact O-N 3.11Å; E185-I188 WeakPolarHBondContact O-CB 3.34Å; E185-I188 PolarHBondContact O-N 3.47Å; R186-I188 VanDerWaalsContact C-N 3.28Å; R186-I188 PolarHBondContact O-N 3.4Å; I188-D190 PolarHBondContact O-N 3.44Å; I188-S191 PolarHBondContact O-N 3.36Å; I188-S191 VanDerWaalsContact O-N 3.09Å; I188-S191 PolarHBondContact O-OG 2.89Å; I188-Q192 HydrophobicContact CG2-CG 4.47Å; I188-Q192 PolarHBondContact O-N 3.18Å
189	L	92.7	Very high	93.4	Very high	52 Å²	52	55.1 Å²	55.1	27%	0.272	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-44.2	-179.7	-68.2	158.3	0	0	0	112.3	E185 R186 S191 Q192 E193	E185-L189 HydrophobicContact CG-CD1 3.78Å; E185-L189 WeakPolarHBondContact O-CD1 3.36Å; E185-L189 WeakPolarHBondContact O-CG 3.29Å; E185-L189 PolarHBondContact O-N 2.77Å; R186-L189 PolarHBondContact O-N 2.91Å; L189-S191 PolarHBondContact O-N 3.26Å; L189-Q192 PolarHBondContact O-N 3.06Å; L189-Q192 VanDerWaalsContact O-N 3.16Å; L189-E193 WeakPolarHBondContact O-CB 3.35Å; L189-E193 PolarHBondContact O-N 3.15Å
190	D	92.9	Very high	93.8	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-55.2	-40.6	174.5	-68	-20.6	0	0	0	110.8	R142 L143 R186 I188 R194	R142-D190 IonicContact CZ-OD2 3.32Å; R142-D190 VanDerWaalsContact CZ-OD2 3.32Å; R142-D190 IonicContact NH1-OD2 2.87Å; R142-D190 PolarHBondContact NH1-OD2 3.41Å; R142-D190 IonicContact NH2-OD2 2.78Å; R142-D190 PolarHBondContact NH2-OD2 3.2Å; L143-D190 HydrophobicContact CD2-CB 4.3Å; R186-D190 WeakPolarHBondContact O-CB 3.34Å; R186-D190 PolarHBondContact O-N 3.14Å; I188-D190 PolarHBondContact O-N 3.44Å; D190-R194 WeakPolarHBondContact O-CB 3.47Å; D190-R194 PolarHBondContact O-N 2.84Å
191	S	94.6	Very high	94.1	Very high	14 Å²	14	43.5 Å²	43.5	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-74.7	-33.3	-179.5	71.3	0	0	0	0	113.3	F92 R109 K187 I188 L189 A195	F92-S191 WeakPolarHBondContact CE2-O 3.29Å; R109-S191 PolarHBondContact NH1-OG 3.32Å; K187-S191 PolarHBondContact O-N 3.46Å; K187-S191 PolarHBondContact O-OG 3.06Å; I188-S191 PolarHBondContact O-N 3.36Å; I188-S191 VanDerWaalsContact O-N 3.09Å; I188-S191 PolarHBondContact O-OG 2.89Å; L189-S191 PolarHBondContact O-N 3.26Å; S191-A195 WeakPolarHBondContact O-CB 3.22Å; S191-A195 PolarHBondContact O-N 2.98Å
192	Q	96.2	Very high	94.4	Very high	27 Å²	27	40.6 Å²	40.6	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-42.3	175.5	-77.3	178.5	-30	0	0	111.3	F92 Q111 F115 I188 L189 A195 F196	F92-Q192 HydrophobicContact CE1-CG 4.06Å; F92-Q192 HydrophobicContact CZ-CB 4.44Å; F92-Q192 HydrophobicContact CZ-CG 3.82Å; Q111-Q192 PolarHBondContact NE2-O 2.93Å; Q111-Q192 VanDerWaalsContact OE1-CB 3.28Å; F115-Q192 HydrophobicContact CD2-CB 4.37Å; F115-Q192 HydrophobicContact CE2-CB 4.38Å; I188-Q192 HydrophobicContact CG2-CG 4.47Å; I188-Q192 PolarHBondContact O-N 3.18Å; L189-Q192 PolarHBondContact O-N 3.06Å; L189-Q192 VanDerWaalsContact O-N 3.16Å; Q192-A195 PolarHBondContact O-N 3.22Å; Q192-F196 PolarHBondContact O-N 3.31Å
193	E	96.4	Very high	94.6	Very high	18 Å²	18	37.8 Å²	37.8	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-39.7	174.4	-171.6	-177	-146.1	0	0	111.5	F115 Y131 K134 L189 F196 W197 Y231	F115-E193 HydrophobicContact CE2-CB 4.45Å; F115-E193 HydrophobicContact CZ-CB 4.45Å; Y131-E193 HydrophobicContact CD2-CG 3.88Å; Y131-E193 HydrophobicContact CE2-CG 3.84Å; K134-E193 WeakPolarHBondContact CE-OE2 3.28Å; K134-E193 VanDerWaalsContact NZ-CD 3.28Å; K134-E193 IonicContact NZ-OE1 2.67Å; K134-E193 PolarHBondContact NZ-OE1 2.87Å; K134-E193 IonicContact NZ-OE2 2.69Å; K134-E193 PolarHBondContact NZ-OE2 3.22Å; L189-E193 WeakPolarHBondContact O-CB 3.35Å; L189-E193 PolarHBondContact O-N 3.15Å; E193-F196 WeakPolarHBondContact O-CB 3.46Å; E193-F196 PolarHBondContact O-N 3.17Å; E193-W197 PolarHBondContact O-N 2.87Å; E193-Y231 VanDerWaalsContact OE1-CE1 3.25Å; E193-Y231 WeakPolarHBondContact OE1-CE1 3.4Å; E193-Y231 VanDerWaalsContact OE1-CZ 3.3Å; E193-Y231 PolarHBondContact OE1-OH 2.94Å
194	R	97	Very high	95	Very high	25 Å²	25	33.9 Å²	33.9	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-56.8	-52.6	170.4	-179.2	-173.3	61.4	83.8	-15.2	111.4	P93 I94 D96 H97 Y131 D190 F196 W197 D198	P93-R194 PolarHBondContact O-NH2 3.48Å; I94-R194 PolarHBondContact O-NH2 3.23Å; D96-R194 PolarHBondContact O-NH1 3.13Å; D96-R194 PolarHBondContact O-NH2 3.39Å; H97-R194 VanDerWaalsContact CE1-CD 3.48Å; H97-R194 WeakPolarHBondContact CE1-CD 3.06Å; Y131-R194 VanDerWaalsContact OH-CA 3.27Å; Y131-R194 WeakPolarHBondContact OH-CA 3.42Å; Y131-R194 WeakPolarHBondContact OH-CB 3.49Å; D190-R194 WeakPolarHBondContact O-CB 3.47Å; D190-R194 PolarHBondContact O-N 2.84Å; R194-F196 VanDerWaalsContact C-N 3.25Å; R194-F196 PolarHBondContact O-N 3.34Å; R194-W197 CarbonylContact O-C 3.5Å; R194-W197 WeakPolarHBondContact O-CA 3.32Å; R194-W197 PolarHBondContact O-N 3.3Å; R194-D198 IonicContact CZ-OD2 2.94Å; R194-D198 IonicContact NH1-OD2 2.81Å; R194-D198 PolarHBondContact NH1-OD2 3.27Å; R194-D198 VanDerWaalsContact O-CG 3.32Å; R194-D198 PolarHBondContact O-N 3.35Å
195	A	97.9	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-32.2	-179	0	0	0	0	0	113.3	F92 S191 Q192 D198 V199	F92-A195 HydrophobicContact CB-CB 3.67Å; F92-A195 HydrophobicContact CD1-CB 3.3Å; F92-A195 HydrophobicContact CD2-CB 3.67Å; F92-A195 HydrophobicContact CE1-CB 3.76Å; F92-A195 HydrophobicContact CE2-CB 4.09Å; F92-A195 HydrophobicContact CG-CB 3.25Å; F92-A195 HydrophobicContact CZ-CB 4.13Å; S191-A195 WeakPolarHBondContact O-CB 3.22Å; S191-A195 PolarHBondContact O-N 2.98Å; Q192-A195 PolarHBondContact O-N 3.22Å; A195-D198 PolarHBondContact O-N 3.23Å; A195-V199 PolarHBondContact O-N 2.95Å
196	F	98	Very high	95.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-45.2	171	168.5	-92.8	0	0	0	111.6	F115 W121 P123 Q192 E193 R194 V199 H200 V230	F115-F196 HydrophobicContact CB-CB 4.17Å; F115-F196 HydrophobicContact CB-CD2 3.89Å; F115-F196 HydrophobicContact CB-CG 4.42Å; F115-F196 HydrophobicContact CD1-CB 3.86Å; F115-F196 HydrophobicContact CD1-CD1 4.41Å; F115-F196 AromaticContact CD1-CD2 3.38Å; F115-F196 HydrophobicContact CD1-CD2 3.38Å; F115-F196 AromaticContact CD1-CE2 3.98Å; F115-F196 HydrophobicContact CD1-CE2 3.98Å; F115-F196 AromaticContact CD1-CG 3.61Å; F115-F196 HydrophobicContact CD1-CG 3.61Å; F115-F196 HydrophobicContact CD2-CB 4.24Å; F115-F196 HydrophobicContact CE1-CB 4.27Å; F115-F196 HydrophobicContact CE1-CD1 4.43Å; F115-F196 HydrophobicContact CE1-CD2 4.16Å; F115-F196 HydrophobicContact CE1-CG 4.02Å; F115-F196 HydrophobicContact CG-CB 3.86Å; F115-F196 AromaticContact CG-CD2 3.89Å; F115-F196 HydrophobicContact CG-CD2 3.89Å; F115-F196 HydrophobicContact CG-CG 4.09Å; W121-F196 HydrophobicContact CB-CE2 4.09Å; W121-F196 HydrophobicContact CB-CZ 4.37Å; W121-F196 AromaticContact CD1-CE2 3.84Å; W121-F196 AromaticContact CD2-CE2 3.95Å; W121-F196 HydrophobicContact CD2-CE2 3.95Å; W121-F196 HydrophobicContact CD2-CZ 4.26Å; W121-F196 HydrophobicContact CE3-CZ 4.44Å; W121-F196 AromaticContact CG-CE2 3.71Å; W121-F196 HydrophobicContact CG-CE2 3.71Å; W121-F196 HydrophobicContact CG-CZ 4.25Å; P123-F196 HydrophobicContact CB-CE1 4.17Å; P123-F196 HydrophobicContact CB-CZ 4.02Å; P123-F196 HydrophobicContact CG-CE1 4.17Å; P123-F196 HydrophobicContact CG-CZ 3.89Å; Q192-F196 PolarHBondContact O-N 3.31Å; E193-F196 WeakPolarHBondContact O-CB 3.46Å; E193-F196 PolarHBondContact O-N 3.17Å; R194-F196 VanDerWaalsContact C-N 3.25Å; R194-F196 PolarHBondContact O-N 3.34Å; F196-V199 PolarHBondContact O-N 3.43Å; F196-H200 AromaticContact CD2-CE1 3.53Å; F196-H200 AromaticContact CD2-ND1 3.67Å; F196-H200 AromaticContact CE1-ND1 3.95Å; F196-H200 AromaticContact CE2-CE1 3.14Å; F196-H200 WeakPolarHBondContact CE2-CE1 3.45Å; F196-H200 AromaticContact CE2-ND1 3.46Å; F196-H200 WeakPolarHBondContact CE2-ND1 3.27Å; F196-H200 AromaticContact CE2-NE2 3.95Å; F196-H200 AromaticContact CZ-CE1 3.63Å; F196-H200 AromaticContact CZ-ND1 3.6Å; F196-H200 PolarHBondContact O-N 2.82Å; F196-H200 PolarHBondContact O-ND1 3.37Å; F196-V230 HydrophobicContact CE1-CG2 3.61Å; F196-V230 HydrophobicContact CZ-CG2 3.64Å
197	W	97.9	Very high	95.9	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-72	-31	177.5	-72.5	114.2	0	0	0	112.9	P123 D127 Y128 Y131 E193 R194 V199 H200 R201 V230 Y231	P123-W197 HydrophobicContact CB-CH2 3.67Å; P123-W197 HydrophobicContact CB-CZ3 3.77Å; P123-W197 HydrophobicContact CG-CH2 4.35Å; P123-W197 HydrophobicContact CG-CZ3 3.94Å; D127-W197 HydrophobicContact CB-CH2 3.86Å; D127-W197 HydrophobicContact CB-CZ2 3.96Å; Y128-W197 AromaticContact CD2-CD2 3.58Å; Y128-W197 HydrophobicContact CD2-CD2 3.58Å; Y128-W197 AromaticContact CD2-CE3 3.45Å; Y128-W197 HydrophobicContact CD2-CE3 3.45Å; Y128-W197 VanDerWaalsContact CD2-CE3 3.45Å; Y128-W197 HydrophobicContact CD2-CG 4.08Å; Y128-W197 HydrophobicContact CD2-CH2 4.29Å; Y128-W197 HydrophobicContact CD2-CZ2 4.4Å; Y128-W197 AromaticContact CD2-CZ3 3.84Å; Y128-W197 HydrophobicContact CD2-CZ3 3.84Å; Y128-W197 HydrophobicContact CE2-CB 4.24Å; Y128-W197 HydrophobicContact CE2-CD2 4.16Å; Y128-W197 HydrophobicContact CE2-CE3 4.14Å; Y128-W197 HydrophobicContact CE2-CG 4.23Å; Y128-W197 HydrophobicContact CG-CE3 4.05Å; Y128-W197 HydrophobicContact CG-CH2 4.39Å; Y128-W197 AromaticContact CG-CZ3 3.99Å; Y128-W197 HydrophobicContact CG-CZ3 3.99Å; Y128-W197 VanDerWaalsContact N-CH2 3.34Å; Y131-W197 HydrophobicContact CD1-CB 4.45Å; Y131-W197 AromaticContact CD1-CD1 3.44Å; Y131-W197 VanDerWaalsContact CD1-CD1 3.44Å; Y131-W197 HydrophobicContact CD1-CD2 4.44Å; Y131-W197 AromaticContact CD1-CG 3.88Å; Y131-W197 HydrophobicContact CD1-CG 3.88Å; Y131-W197 AromaticContact CD1-NE1 3.76Å; Y131-W197 AromaticContact CD2-CD1 3.47Å; Y131-W197 VanDerWaalsContact CD2-CD1 3.47Å; Y131-W197 AromaticContact CD2-NE1 3.51Å; Y131-W197 HydrophobicContact CE1-CB 4.16Å; Y131-W197 AromaticContact CE1-CD1 3.64Å; Y131-W197 HydrophobicContact CE1-CG 4.01Å; Y131-W197 AromaticContact CE2-CD1 3.65Å; Y131-W197 AromaticContact CG-CD1 3.35Å; Y131-W197 HydrophobicContact CG-CG 4.18Å; Y131-W197 AromaticContact CG-NE1 3.27Å; Y131-W197 VanDerWaalsContact CG-NE1 3.27Å; Y131-W197 AromaticContact CZ-CD1 3.72Å; E193-W197 PolarHBondContact O-N 2.87Å; R194-W197 CarbonylContact O-C 3.5Å; R194-W197 WeakPolarHBondContact O-CA 3.32Å; R194-W197 PolarHBondContact O-N 3.3Å; W197-V199 PolarHBondContact O-N 3.33Å; W197-H200 HydrophobicContact CE3-CB 4.41Å; W197-H200 PolarHBondContact O-N 3.45Å; W197-R201 HydrophobicContact CE3-CG 3.86Å; W197-R201 HydrophobicContact CZ3-CG 4.18Å; W197-R201 CarbonylContact O-C 3.55Å; W197-R201 WeakPolarHBondContact O-CA 3.3Å; W197-R201 PolarHBondContact O-N 3.02Å; W197-V230 HydrophobicContact CZ2-CG2 4.48Å; W197-Y231 HydrophobicContact CZ2-CE2 4.48Å
198	D	98.1	Very high	96.2	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-24.8	174.2	-64.6	-27.4	0	0	0	112.3	H97 L99 R194 A195 P202	H97-D198 IonicContact CE1-OD1 3.56Å; H97-D198 IonicContact CG-OD1 3.61Å; H97-D198 IonicContact ND1-OD1 2.73Å; H97-D198 PolarHBondContact ND1-OD1 2.73Å; H97-D198 IonicContact ND1-OD2 2.74Å; L99-D198 HydrophobicContact CD1-CB 3.87Å; L99-D198 HydrophobicContact CD2-CB 4.03Å; L99-D198 HydrophobicContact CG-CB 3.89Å; R194-D198 IonicContact CZ-OD2 2.94Å; R194-D198 IonicContact NH1-OD2 2.81Å; R194-D198 PolarHBondContact NH1-OD2 3.27Å; R194-D198 VanDerWaalsContact O-CG 3.32Å; R194-D198 PolarHBondContact O-N 3.35Å; A195-D198 PolarHBondContact O-N 3.23Å; D198-P202 VanDerWaalsContact O-CA 3.25Å; D198-P202 WeakPolarHBondContact O-CA 3.46Å; D198-P202 WeakPolarHBondContact O-CB 3.35Å
199	V	97.6	Very high	96.4	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-77.1	-49.7	170.2	176.9	0	0	0	0	111.6	L99 A195 F196 W197 T210	L99-V199 HydrophobicContact CD1-CB 4.45Å; L99-V199 HydrophobicContact CD1-CG2 3.48Å; L99-V199 VanDerWaalsContact CD1-CG2 3.48Å; A195-V199 PolarHBondContact O-N 2.95Å; F196-V199 PolarHBondContact O-N 3.43Å; W197-V199 PolarHBondContact O-N 3.33Å; V199-T210 HydrophobicContact CG1-CG2 3.89Å
200	H	96.6	Very high	96.4	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-87.6	-17	-169.2	-63.3	88.9	0	0	0	114.2	W121 P123 F196 W197	W121-H200 WeakPolarHBondContact CB-NE2 3.32Å; P123-H200 VanDerWaalsContact CD-CD2 3.42Å; P123-H200 WeakPolarHBondContact CD-CD2 3.44Å; P123-H200 HydrophobicContact CG-CB 3.66Å; F196-H200 AromaticContact CD2-CE1 3.53Å; F196-H200 AromaticContact CD2-ND1 3.67Å; F196-H200 AromaticContact CE1-ND1 3.95Å; F196-H200 AromaticContact CE2-CE1 3.14Å; F196-H200 WeakPolarHBondContact CE2-CE1 3.45Å; F196-H200 AromaticContact CE2-ND1 3.46Å; F196-H200 WeakPolarHBondContact CE2-ND1 3.27Å; F196-H200 AromaticContact CE2-NE2 3.95Å; F196-H200 AromaticContact CZ-CE1 3.63Å; F196-H200 AromaticContact CZ-ND1 3.6Å; F196-H200 PolarHBondContact O-N 2.82Å; F196-H200 PolarHBondContact O-ND1 3.37Å; W197-H200 HydrophobicContact CE3-CB 4.41Å; W197-H200 PolarHBondContact O-N 3.45Å
201	R	97	Very high	96.3	Very high	61 Å²	61	41 Å²	41	23%	0.23	25%	0.247	C	C	.	.	S	Bend	trans	-138.9	64.4	177.4	-62.9	-63.7	-177.3	-73.8	-4.3	107.8	P123 N125 Y128 W197	P123-R201 PolarHBondContact O-NH2 3.46Å; N125-R201 PolarHBondContact OD1-NH2 2.83Å; Y128-R201 HydrophobicContact CD1-CG 3.8Å; Y128-R201 HydrophobicContact CD2-CG 4.06Å; Y128-R201 HydrophobicContact CE1-CB 4.02Å; Y128-R201 HydrophobicContact CE1-CG 3.82Å; Y128-R201 HydrophobicContact CE2-CB 4.08Å; Y128-R201 HydrophobicContact CE2-CG 4.08Å; Y128-R201 HydrophobicContact CG-CG 3.95Å; W197-R201 HydrophobicContact CE3-CG 3.86Å; W197-R201 HydrophobicContact CZ3-CG 4.18Å; W197-R201 CarbonylContact O-C 3.55Å; W197-R201 WeakPolarHBondContact O-CA 3.3Å; W197-R201 PolarHBondContact O-N 3.02Å
202	P	97.1	Very high	96	Very high	33 Å²	33	43.5 Å²	43.5	21%	0.214	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65	157.7	-170.4	28.4	-36.1	0	0	0	112.4	D198 C206 N208	D198-P202 VanDerWaalsContact O-CA 3.25Å; D198-P202 WeakPolarHBondContact O-CA 3.46Å; D198-P202 WeakPolarHBondContact O-CB 3.35Å; P202-C206 HydrophobicContact CB-CB 4.19Å; P202-N208 HydrophobicContact CG-CB 4.11Å
203	V	97.3	Very high	95.6	Very high	29 Å²	29	45.9 Å²	45.9	18%	0.176	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-54.8	133.9	172	-177.1	0	0	0	0	109.2	H97 V98 Y148 G205 C206	H97-V203 HydrophobicContact CB-CG2 3.6Å; V98-V203 HydrophobicContact CG2-CB 4.36Å; V98-V203 HydrophobicContact CG2-CG1 4.42Å; V98-V203 HydrophobicContact CG2-CG2 4.14Å; Y148-V203 HydrophobicContact CE1-CG1 4.48Å; Y148-V203 HydrophobicContact CE1-CG2 3.98Å; V203-G205 PolarHBondContact O-N 2.96Å; V203-C206 VanDerWaalsContact O-CB 3.26Å; V203-C206 WeakPolarHBondContact O-CB 3.46Å; V203-C206 PolarHBondContact O-N 3.04Å
204	P	97.3	Very high	95.1	Very high	97 Å²	97	51.3 Å²	51.3	63%	0.63	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	131.7	178	-28.4	35.3	0	0	0	112.5	Y148	Y148-P204 HydrophobicContact CG-CG 4.4Å
205	G	95.4	Very high	94.4	Very high	88 Å²	88	57 Å²	57	91%	0.907	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-14.8	-175.1	0	0	0	0	0	114.6	V203	V203-G205 PolarHBondContact O-N 2.96Å
206	C	96.7	Very high	93.6	Very high	49 Å²	49	61.1 Å²	61.1	33%	0.331	35%	0.347	S	S	.	.	S	Bend	trans	-79.4	148.7	169.9	-64.3	0	0	0	0	111.2	P202 V203 N208	P202-C206 HydrophobicContact CB-CB 4.19Å; V203-C206 VanDerWaalsContact O-CB 3.26Å; V203-C206 WeakPolarHBondContact O-CB 3.46Å; V203-C206 PolarHBondContact O-N 3.04Å; C206-N208 PolarHBondContact O-N 2.87Å
207	V	96.4	Very high	92.4	Very high	127 Å²	127	63.4 Å²	63.4	77%	0.77	36%	0.363	S	S	*	.			trans	-66.6	131.5	173.3	177.6	0	0	0	0	109.5	T209	V207-T209 PolarHBondContact O-N 3.13Å
208	N	96.3	Very high	90.9	Very high	39 Å²	39	67.9 Å²	67.9	21%	0.209	39%	0.394	C	S	.	.			trans	-83.7	99.7	172.8	-175.8	-1.6	0	0	0	110.3	P202 C206 T210 E211	P202-N208 HydrophobicContact CG-CB 4.11Å; C206-N208 PolarHBondContact O-N 2.87Å; N208-T210 PolarHBondContact O-N 2.95Å; N208-T210 VanDerWaalsContact O-N 3.14Å; N208-T210 PolarHBondContact OD1-N 3.2Å; N208-T210 VanDerWaalsContact OD1-N 3.14Å; N208-T210 PolarHBondContact OD1-OG1 3.23Å; N208-E211 HydrophobicContact CB-CG 3.95Å; N208-E211 WeakPolarHBondContact CB-OE1 3.5Å; N208-E211 PolarHBondContact ND2-OE1 2.95Å; N208-E211 PolarHBondContact O-N 3.47Å; N208-E211 VanDerWaalsContact O-N 3.16Å
209	T	95.7	Very high	89.1	Confident	28 Å²	28	76.8 Å²	76.8	17%	0.172	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.4	-177.2	60.1	0	0	0	0	113.7	A87 V207 E211	A87-T209 HydrophobicContact CB-CG2 3.87Å; A87-T209 PolarHBondContact O-OG1 3.06Å; V207-T209 PolarHBondContact O-N 3.13Å; T209-E211 VanDerWaalsContact C-N 3.34Å
210	T	92.2	Very high	87.3	Confident	54 Å²	54	79.9 Å²	79.9	33%	0.331	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-9	175.7	76.4	0	0	0	0	112.8	V199 N208	V199-T210 HydrophobicContact CG1-CG2 3.89Å; N208-T210 PolarHBondContact O-N 2.95Å; N208-T210 VanDerWaalsContact O-N 3.14Å; N208-T210 PolarHBondContact OD1-N 3.2Å; N208-T210 VanDerWaalsContact OD1-N 3.14Å; N208-T210 PolarHBondContact OD1-OG1 3.23Å
211	E	91.4	Very high	85.2	Confident	146 Å²	146	87.9 Å²	87.9	68%	0.682	48%	0.477	S	S	*	.			trans	-69.6	134.3	176.2	-70.5	178.5	-168.5	0	0	111.1	N208 T209	N208-E211 HydrophobicContact CB-CG 3.95Å; N208-E211 WeakPolarHBondContact CB-OE1 3.5Å; N208-E211 PolarHBondContact ND2-OE1 2.95Å; N208-E211 PolarHBondContact O-N 3.47Å; N208-E211 VanDerWaalsContact O-N 3.16Å; T209-E211 VanDerWaalsContact C-N 3.34Å
212	V	86.9	Confident	83.2	Confident	66 Å²	66	88.2 Å²	88.2	40%	0.4	48%	0.484	S	S	.	.			trans	-121.5	141.4	-176.4	-62.1	0	0	0	0	111.3	N20 I214	N20-V212 WeakPolarHBondContact ND2-CG1 3.33Å; V212-I214 PolarHBondContact O-N 3.13Å
213	D	87.9	Confident	81.1	Confident	77 Å²	77	91 Å²	91	41%	0.412	50%	0.502	S	S	.	.			trans	-57.3	132	174.4	-174.9	-53.3	0	0	0	110.4	K215 K216 S217	D213-K215 PolarHBondContact O-N 3.49Å; D213-K215 VanDerWaalsContact O-N 3.14Å; D213-K215 VanDerWaalsContact OD1-CB 3.22Å; D213-K215 WeakPolarHBondContact OD1-CB 3.26Å; D213-K215 VanDerWaalsContact OD1-CG 3.29Å; D213-K215 WeakPolarHBondContact OD1-CG 3.48Å; D213-K215 PolarHBondContact OD1-N 3.01Å; D213-K216 HydrophobicContact CB-CD 4.32Å; D213-K216 HydrophobicContact CB-CG 4.28Å; D213-K216 WeakPolarHBondContact O-CA 3.42Å; D213-K216 WeakPolarHBondContact O-CB 3.42Å; D213-K216 PolarHBondContact O-N 3.29Å; D213-S217 PolarHBondContact O-N 2.84Å
214	I	85.8	Confident	78.8	Confident	131 Å²	131	97.9 Å²	97.9	67%	0.672	53%	0.531	S	S	*	.	H	α-helix	trans	-55.2	-32.8	-178.4	-170.1	60.5	0	0	0	113.3	V212 K216 S217 S218	V212-I214 PolarHBondContact O-N 3.13Å; I214-K216 VanDerWaalsContact C-N 3.28Å; I214-K216 PolarHBondContact O-N 2.76Å; I214-S217 PolarHBondContact O-N 3.18Å; I214-S218 PolarHBondContact O-N 2.99Å; I214-S218 PolarHBondContact O-OG 3.21Å
215	K	83.7	Confident	77.1	Confident	145 Å²	145	99.2 Å²	99.2	63%	0.63	53%	0.527	S	S	*	.	H	α-helix	trans	-69	-27.8	177	-55.4	173.2	-151.1	168.6	0	112	D213 S218 R219	D213-K215 PolarHBondContact O-N 3.49Å; D213-K215 VanDerWaalsContact O-N 3.14Å; D213-K215 VanDerWaalsContact OD1-CB 3.22Å; D213-K215 WeakPolarHBondContact OD1-CB 3.26Å; D213-K215 VanDerWaalsContact OD1-CG 3.29Å; D213-K215 WeakPolarHBondContact OD1-CG 3.48Å; D213-K215 PolarHBondContact OD1-N 3.01Å; K215-S218 PolarHBondContact O-OG 3.19Å; K215-R219 WeakPolarHBondContact O-CG 3.49Å
216	K	79.5	Confident	75.6	Confident	86 Å²	86	96.2 Å²	96.2	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-85.6	-38	176.4	-65.7	-178.5	176	179.4	0	111	P19 D213 I214 S218 R219	P19-K216 HydrophobicContact CB-CD 4.15Å; P19-K216 HydrophobicContact CG-CD 4.37Å; P19-K216 HydrophobicContact CG-CG 4.28Å; D213-K216 HydrophobicContact CB-CD 4.32Å; D213-K216 HydrophobicContact CB-CG 4.28Å; D213-K216 WeakPolarHBondContact O-CA 3.42Å; D213-K216 WeakPolarHBondContact O-CB 3.42Å; D213-K216 PolarHBondContact O-N 3.29Å; I214-K216 VanDerWaalsContact C-N 3.28Å; I214-K216 PolarHBondContact O-N 2.76Å; K216-S218 PolarHBondContact O-N 3.27Å; K216-R219 PolarHBondContact O-N 3.08Å
217	S	73.9	Confident	74.3	Confident	51 Å²	51	98.6 Å²	98.6	36%	0.357	49%	0.493	S	S	.	.	H	α-helix	trans	-58.4	-45.6	177.1	-176.7	0	0	0	0	112.2	D213 I214 R219 M220	D213-S217 PolarHBondContact O-N 2.84Å; I214-S217 PolarHBondContact O-N 3.18Å; S217-R219 PolarHBondContact O-N 3.02Å; S217-M220 WeakPolarHBondContact O-CB 3.42Å; S217-M220 PolarHBondContact O-N 2.97Å; S217-M220 VanDerWaalsContact O-N 3.13Å
218	S	65.8	Low	73.3	Confident	94 Å²	94	97.9 Å²	97.9	66%	0.657	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.4	179.8	61.7	0	0	0	0	114.8	I214 K215 K216	I214-S218 PolarHBondContact O-N 2.99Å; I214-S218 PolarHBondContact O-OG 3.21Å; K215-S218 PolarHBondContact O-OG 3.19Å; K216-S218 PolarHBondContact O-N 3.27Å
219	R	60.1	Low	72.2	Confident	192 Å²	192	98.4 Å²	98.4	73%	0.725	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.8	178	-66.2	178.9	-177.7	-165.4	-0.2	112.9	K215 K216 S217 K221	K215-R219 WeakPolarHBondContact O-CG 3.49Å; K216-R219 PolarHBondContact O-N 3.08Å; S217-R219 PolarHBondContact O-N 3.02Å; R219-K221 PolarHBondContact O-N 3.36Å
220	M	60.2	Low	71	Confident	73 Å²	73	97.7 Å²	97.7	36%	0.36	48%	0.482	S	S	.	.			trans	-72.4	90.7	175	-68.9	173.8	60.9	0	0	109.2	S217 N222	S217-M220 WeakPolarHBondContact O-CB 3.42Å; S217-M220 PolarHBondContact O-N 2.97Å; S217-M220 VanDerWaalsContact O-N 3.13Å; M220-N222 PolarHBondContact O-N 3.06Å; M220-N222 VanDerWaalsContact O-N 3.13Å
221	K	53.3	Low	70	Confident	179 Å²	179	96.9 Å²	96.9	78%	0.778	47%	0.473	S	S	*	.			trans	-69.9	-2.7	-177.1	-73.6	-174.8	176.9	179.8	0	114.9	R219	R219-K221 PolarHBondContact O-N 3.36Å
222	N	54.3	Low	68.6	Low	69 Å²	69	91.9 Å²	91.9	37%	0.369	46%	0.462	S	S	.	.			trans	-138.4	88.3	-172.2	-86.2	-37.6	0	0	0	113.5	M220 H224	M220-N222 PolarHBondContact O-N 3.06Å; M220-N222 VanDerWaalsContact O-N 3.13Å; N222-H224 PolarHBondContact O-N 2.98Å
223	P	52.2	Low	66.6	Low	91 Å²	91	96.8 Å²	96.8	59%	0.591	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-67.6	-6	173	26.8	-34.3	0	0	0	114.3	K225 T226	P223-K225 VanDerWaalsContact C-N 3.32Å; P223-K225 PolarHBondContact O-N 2.85Å; P223-T226 PolarHBondContact O-OG1 3.37Å; P223-T226 VanDerWaalsContact O-OG1 3.06Å
224	H	49.8	Very low	64.7	Low	174 Å²	174	99.3 Å²	99.3	81%	0.806	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-81.2	-2.5	-178.9	-62.8	-67.9	0	0	0	114.9	N222	N222-H224 PolarHBondContact O-N 2.98Å
225	K	60.8	Low	62.5	Low	125 Å²	125	100.3 Å²	100.3	54%	0.543	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-95.8	-3	179.3	-69.1	-176.7	-178.1	175.9	0	113.9	P223	P223-K225 VanDerWaalsContact C-N 3.32Å; P223-K225 PolarHBondContact O-N 2.85Å
226	T	64.9	Low	60.4	Low	25 Å²	25	100.1 Å²	100.1	15%	0.153	51%	0.506	C	S	.	.			trans	-86.1	129.7	-177	54.2	0	0	0	0	111.8	C120 E122 P223	C120-T226 CarbonylContact O-C 3.55Å; C120-T226 VanDerWaalsContact O-CA 3.31Å; C120-T226 WeakPolarHBondContact O-CA 3.4Å; E122-T226 HydrophobicContact CG-CG2 4.25Å; P223-T226 PolarHBondContact O-OG1 3.37Å; P223-T226 VanDerWaalsContact O-OG1 3.06Å
227	R	70.1	Confident	58.4	Low	98 Å²	98	101.3 Å²	101.3	37%	0.37	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-87.8	112.7	173.3	-71.1	-175.1	174.4	167.9	3.4	110	C120 W121 E122	C120-R227 PolarHBondContact O-N 3.27Å; W121-R227 HydrophobicContact CD2-CB 4.1Å; W121-R227 HydrophobicContact CE3-CB 3.49Å; W121-R227 VanDerWaalsContact CE3-CB 3.49Å; W121-R227 HydrophobicContact CH2-CB 4.25Å; W121-R227 HydrophobicContact CZ3-CB 3.58Å; W121-R227 HydrophobicContact CZ3-CG 4.44Å; E122-R227 PolarHBondContact N-O 2.87Å
228	K	73.6	Confident	56.8	Low	112 Å²	112	109.2 Å²	109.2	49%	0.487	54%	0.538	S	S	.	.			trans	-91.2	-29.9	-174.2	-62.7	-171.8	177	-172.8	0	114.6	E122 E124	E122-K228 WeakPolarHBondContact O-CA 3.31Å; E124-K228 PolarHBondContact N-O 3.4Å
229	S	74.3	Confident	55.2	Low	51 Å²	51	109.8 Å²	109.8	36%	0.357	54%	0.538	S	S	.	.			trans	-120.1	131.1	-179.1	-173.1	0	0	0	0	113.8	D127 Y231 G232	D127-S229 PolarHBondContact OD1-OG 3.43Å; D127-S229 WeakPolarHBondContact OD2-CA 3.44Å; D127-S229 PolarHBondContact OD2-OG 3.31Å; D127-S229 VanDerWaalsContact OD2-OG 3.12Å; S229-Y231 PolarHBondContact OG-N 3.46Å; S229-G232 PolarHBondContact OG-N 3Å
230	V	70.6	Confident	53.9	Low	13 Å²	13	107.5 Å²	107.5	8%	0.079	54%	0.535	C	S	.	.	S	Bend	trans	-81.5	-32.1	174.7	-176.2	0	0	0	0	111.2	Y114 F115 W121 P123 D127 F196 W197	Y114-V230 PolarHBondContact OH-O 3.29Å; F115-V230 HydrophobicContact CE1-CG1 4.01Å; W121-V230 HydrophobicContact CE3-CG2 4.33Å; W121-V230 HydrophobicContact CZ3-CG2 4.1Å; P123-V230 HydrophobicContact CB-CG2 4.17Å; D127-V230 PolarHBondContact OD2-N 2.91Å; F196-V230 HydrophobicContact CE1-CG2 3.61Å; F196-V230 HydrophobicContact CZ-CG2 3.64Å; W197-V230 HydrophobicContact CZ2-CG2 4.48Å
231	Y	71.9	Confident	52.7	Low	36 Å²	36	108.7 Å²	108.7	14%	0.141	55%	0.551	C	S	.	*	S	Bend	trans	-109.6	3.5	-174	-54	-66.4	0	0	0	114.3	D127 V130 Y131 E193 W197 S229	D127-Y231 HydrophobicContact CB-CD2 3.89Å; D127-Y231 HydrophobicContact CB-CE2 4.02Å; D127-Y231 WeakPolarHBondContact O-CE2 3.31Å; V130-Y231 HydrophobicContact CB-CD2 4.25Å; V130-Y231 HydrophobicContact CB-CE2 4.21Å; V130-Y231 HydrophobicContact CG1-CD2 4.07Å; V130-Y231 HydrophobicContact CG1-CE2 4.11Å; Y131-Y231 WeakPolarHBondContact CB-OH 3.48Å; E193-Y231 VanDerWaalsContact OE1-CE1 3.25Å; E193-Y231 WeakPolarHBondContact OE1-CE1 3.4Å; E193-Y231 VanDerWaalsContact OE1-CZ 3.3Å; E193-Y231 PolarHBondContact OE1-OH 2.94Å; W197-Y231 HydrophobicContact CZ2-CE2 4.48Å; S229-Y231 PolarHBondContact OG-N 3.46Å
232	G	60.5	Low	52	Low	42 Å²	42	106.8 Å²	106.8	43%	0.433	56%	0.556	S	S	.	*	S	Bend	trans	-62.7	150.6	177.3	0	0	0	0	0	112.8	S229 Q234	S229-G232 PolarHBondContact OG-N 3Å; G232-Q234 PolarHBondContact O-N 3.21Å
233	L	46.1	Very low	51.2	Low	169 Å²	169	108 Å²	108	89%	0.885	57%	0.566	S	S	*	*			trans	-56.6	122.6	171.6	-86.3	156.7	0	0	0	109.3	N235	L233-N235 PolarHBondContact O-N 2.93Å
234	Q	48	Very low	50.5	Low	130 Å²	130	111.5 Å²	111.5	61%	0.607	57%	0.574	S	S	*	*			trans	-74.1	67.4	-176.3	-155.4	159.4	27.2	0	0	110.3	G232 I237	G232-Q234 PolarHBondContact O-N 3.21Å; Q234-I237 HydrophobicContact CG-CG1 4.29Å
235	N	38.1	Very low	49.9	Very low	152 Å²	152	109 Å²	109	81%	0.813	57%	0.572	S	S	*	*			trans	-77.3	-10.9	168.2	-84.3	-0.4	0	0	0	112.1	L233	L233-N235 PolarHBondContact O-N 2.93Å
236	D	41.2	Very low	48.9	Very low	140 Å²	140	108.7 Å²	108.7	75%	0.749	58%	0.582	S	S	*	*			trans	-100.7	62.1	170.1	-72.7	-43	0	0	0	110.8	R238	D236-R238 PolarHBondContact O-N 3.27Å
237	I	36.2	Very low	47.8	Very low	112 Å²	112	113 Å²	113	57%	0.574	61%	0.609	S	S	*	*			trans	-69.2	87.3	156.9	-60.1	176.1	0	0	0	106.6	Q234 T239	Q234-I237 HydrophobicContact CG-CG1 4.29Å; I237-T239 HydrophobicContact CG2-CG2 3.3Å; I237-T239 PolarHBondContact O-N 2.94Å; I237-T239 VanDerWaalsContact O-N 3.16Å
238	R	40.2	Very low	46.8	Very low	216 Å²	216	113.1 Å²	113.1	82%	0.815	62%	0.622	S	S	*	*			trans	-78.7	81.1	151.1	-72.1	-171	-176.1	-168	0.8	106.9	D236 H240	D236-R238 PolarHBondContact O-N 3.27Å; R238-H240 PolarHBondContact O-N 3.5Å
239	T	32.8	Very low	45.9	Very low	107 Å²	107	116.4 Å²	116.4	66%	0.656	64%	0.639	S	S	*	*			trans	-69.4	63.5	160.4	32.5	0	0	0	0	108.9	I237	I237-T239 HydrophobicContact CG2-CG2 3.3Å; I237-T239 PolarHBondContact O-N 2.94Å; I237-T239 VanDerWaalsContact O-N 3.16Å
240	H	33.8	Very low	45.2	Very low	143 Å²	143	118.5 Å²	118.5	66%	0.662	66%	0.66	S	S	*	*			trans	-142.3	119.3	164.4	-65.4	-62.2	0	0	0	105.7	R238	R238-H240 PolarHBondContact O-N 3.5Å
241	S	33.5	Very low	45.3	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	70%	0.696	S	S	*	*	S	Bend	trans	-35.4	162.5	137.2	-55.3	0	0	0	0	109.7	T243	S241-T243 PolarHBondContact O-N 3.01Å; S241-T243 PolarHBondContact O-OG1 3.1Å
242	P	38.7	Very low	45.8	Very low	138 Å²	138	134 Å²	134	90%	0.896	73%	0.73	S	S	*	*	S	Bend	trans	-65.4	76.6	176.7	28	-33.1	0	0	0	110.4	H244	P242-H244 PolarHBondContact O-N 3.46Å; P242-H244 VanDerWaalsContact O-N 3.15Å
243	T	38.1	Very low	46.9	Very low	94 Å²	94	134.9 Å²	134.9	58%	0.577	73%	0.727	S	S	*	*			trans	-74.4	104.4	169.2	-42.3	0	0	0	0	102.9	S241 T245	S241-T243 PolarHBondContact O-N 3.01Å; S241-T243 PolarHBondContact O-OG1 3.1Å; T243-T245 PolarHBondContact O-N 3.38Å; T243-T245 VanDerWaalsContact O-N 3.16Å
244	H	37.7	Very low	49.2	Very low	166 Å²	166	129.9 Å²	129.9	77%	0.769	70%	0.704	S	S	*	*			trans	13.4	94.2	159.6	-80.6	-81.7	0	0	0	113.4	P242	P242-H244 PolarHBondContact O-N 3.46Å; P242-H244 VanDerWaalsContact O-N 3.15Å
245	T	37.5	Very low	51.3	Low	122 Å²	122	131.7 Å²	131.7	75%	0.748	71%	0.71	S	S	*	*			trans	-49.1	126.5	147	40.7	0	0	0	0	105.8	T243 T247	T243-T245 PolarHBondContact O-N 3.38Å; T243-T245 VanDerWaalsContact O-N 3.16Å; T245-T247 PolarHBondContact O-N 2.99Å
246	P	38.4	Very low	54	Low	117 Å²	117	130.3 Å²	130.3	76%	0.76	70%	0.699	S	S	*	*			trans	-50.4	125.4	172.7	-6.6	10.9	0	0	0	106
247	T	42.3	Very low	56.5	Low	117 Å²	117	128 Å²	128	72%	0.718	68%	0.684	S	S	*	*			trans	-43.4	121.2	171	-37.6	0	0	0	0	105.7	T245 E249	T245-T247 PolarHBondContact O-N 2.99Å; T247-E249 PolarHBondContact O-N 3.27Å
248	P	49.9	Very low	59.3	Low	100 Å²	100	126.5 Å²	126.5	65%	0.649	68%	0.676	S	S	*	*			trans	-50.6	119.1	179.1	16.8	-28.2	0	0	0	106	A250	P248-A250 PolarHBondContact O-N 3.33Å
249	E	53.8	Low	61.9	Low	181 Å²	181	121.5 Å²	121.5	85%	0.846	66%	0.662	S	S	*	*			trans	-46.8	120.2	178.6	-77.6	-178.6	160.9	0	0	105.7	T247 K251	T247-E249 PolarHBondContact O-N 3.27Å; E249-K251 VanDerWaalsContact C-N 3.28Å; E249-K251 PolarHBondContact O-N 3.06Å
250	A	59.1	Low	64.9	Low	95 Å²	95	123.1 Å²	123.1	79%	0.785	66%	0.662	S	S	*	*			trans	-55.8	103.4	179.2	0	0	0	0	0	105.6	P248 Q252	P248-A250 PolarHBondContact O-N 3.33Å; A250-Q252 PolarHBondContact O-N 3.4Å
251	K	74.1	Confident	67.8	Low	193 Å²	193	120.7 Å²	120.7	84%	0.839	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-54.3	122	178.5	-73.2	-175	178.9	-177.9	0	105.1	E249 P253	E249-K251 VanDerWaalsContact C-N 3.28Å; E249-K251 PolarHBondContact O-N 3.06Å; K251-P253 WeakPolarHBondContact O-CD 3.44Å; K251-P253 VanDerWaalsContact O-N 3.13Å
252	Q	82.3	Confident	70.8	Confident	181 Å²	181	119.8 Å²	119.8	85%	0.846	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-59	124.6	176	-70.3	-162.2	7.3	0	0	106.9	A250	A250-Q252 PolarHBondContact O-N 3.4Å
253	P	84	Confident	73.6	Confident	60 Å²	60	116.3 Å²	116.3	39%	0.39	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-62.9	143.2	-176.2	25.9	-33.8	0	0	0	109.2	K251 E257 L258	K251-P253 WeakPolarHBondContact O-CD 3.44Å; K251-P253 VanDerWaalsContact O-N 3.13Å; P253-E257 WeakPolarHBondContact CA-OE2 3.49Å; P253-E257 HydrophobicContact CB-CB 4.23Å; P253-L258 HydrophobicContact CB-CD2 4.15Å; P253-L258 HydrophobicContact CB-CG 4.11Å; P253-L258 HydrophobicContact CG-CD1 4.38Å; P253-L258 HydrophobicContact CG-CD2 3.67Å; P253-L258 HydrophobicContact CG-CG 3.95Å
254	T	92.6	Very high	76.4	Confident	64 Å²	64	116.7 Å²	116.7	39%	0.393	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-68.1	164.1	174.4	70.8	0	0	0	0	110.3	E256 E257 L258	T254-E256 WeakPolarHBondContact CB-OE2 3.4Å; T254-E256 PolarHBondContact O-N 2.91Å; T254-E256 PolarHBondContact OG1-OE2 2.94Å; T254-E257 PolarHBondContact N-OE2 2.76Å; T254-E257 PolarHBondContact O-N 3.33Å; T254-E257 WeakPolarHBondContact OG1-CG 3.32Å; T254-E257 PolarHBondContact OG1-N 3.49Å; T254-L258 WeakPolarHBondContact O-CG 3.46Å; T254-L258 PolarHBondContact O-N 3.04Å
255	K	93.6	Very high	79.2	Confident	168 Å²	168	116 Å²	116	73%	0.73	60%	0.599	S	S	*	*	H	α-helix	trans	-60.1	-36.5	176.1	-175.1	-178.2	175.3	-174.4	0	111.3	L258 Q259	K255-L258 PolarHBondContact O-N 3.25Å; K255-Q259 PolarHBondContact O-N 3.31Å
256	E	94.3	Very high	82.1	Confident	124 Å²	124	115.3 Å²	115.3	58%	0.579	59%	0.587	S	S	*	*	H	α-helix	trans	-65.4	-46.7	176.9	-63.5	70.6	-151.3	0	0	111.2	T254 L258 Q259 E260	T254-E256 WeakPolarHBondContact CB-OE2 3.4Å; T254-E256 PolarHBondContact O-N 2.91Å; T254-E256 PolarHBondContact OG1-OE2 2.94Å; E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.2Å; E256-Q259 WeakPolarHBondContact O-CB 3.27Å; E256-Q259 PolarHBondContact O-N 3.32Å; E256-Q259 VanDerWaalsContact O-N 3.1Å; E256-E260 PolarHBondContact O-N 2.98Å
257	E	93.5	Very high	84.9	Confident	92 Å²	92	115 Å²	115	43%	0.43	58%	0.578	S	S	.	*	H	α-helix	trans	-61.3	-38.7	176.4	-71.6	170.3	170.8	0	0	111.7	P253 T254 E260 Q261	P253-E257 WeakPolarHBondContact CA-OE2 3.49Å; P253-E257 HydrophobicContact CB-CB 4.23Å; T254-E257 PolarHBondContact N-OE2 2.76Å; T254-E257 PolarHBondContact O-N 3.33Å; T254-E257 WeakPolarHBondContact OG1-CG 3.32Å; T254-E257 PolarHBondContact OG1-N 3.49Å; E257-E260 PolarHBondContact O-N 3.48Å; E257-Q261 WeakPolarHBondContact O-CB 3.45Å; E257-Q261 VanDerWaalsContact O-CG 3.27Å; E257-Q261 WeakPolarHBondContact O-CG 3.15Å; E257-Q261 PolarHBondContact O-N 2.94Å
258	L	94.9	Very high	87.5	Confident	80 Å²	80	112.2 Å²	112.2	42%	0.419	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-40.6	174.2	-72.6	173.6	0	0	0	111.8	P253 T254 K255 E256 Q261 I262	P253-L258 HydrophobicContact CB-CD2 4.15Å; P253-L258 HydrophobicContact CB-CG 4.11Å; P253-L258 HydrophobicContact CG-CD1 4.38Å; P253-L258 HydrophobicContact CG-CD2 3.67Å; P253-L258 HydrophobicContact CG-CG 3.95Å; T254-L258 WeakPolarHBondContact O-CG 3.46Å; T254-L258 PolarHBondContact O-N 3.04Å; K255-L258 PolarHBondContact O-N 3.25Å; E256-L258 VanDerWaalsContact C-N 3.29Å; E256-L258 PolarHBondContact O-N 3.2Å; L258-Q261 PolarHBondContact O-N 3.11Å; L258-I262 VanDerWaalsContact O-CG1 3.27Å; L258-I262 WeakPolarHBondContact O-CG1 3.37Å; L258-I262 PolarHBondContact O-N 3.06Å
259	Q	95.9	Very high	89.7	Confident	110 Å²	110	114 Å²	114	51%	0.514	56%	0.56	S	S	.	*	H	α-helix	trans	-65	-43.5	177.8	-173.3	60.3	50.4	0	0	111.6	K255 E256 Q261 I262 T263	K255-Q259 PolarHBondContact O-N 3.31Å; E256-Q259 WeakPolarHBondContact O-CB 3.27Å; E256-Q259 PolarHBondContact O-N 3.32Å; E256-Q259 VanDerWaalsContact O-N 3.1Å; Q259-Q261 VanDerWaalsContact C-N 3.35Å; Q259-I262 PolarHBondContact O-N 2.86Å; Q259-T263 PolarHBondContact O-N 3.33Å; Q259-T263 PolarHBondContact O-OG1 2.83Å
260	E	95.3	Very high	91.8	Very high	142 Å²	142	111 Å²	111	66%	0.664	55%	0.55	S	S	*	*	H	α-helix	trans	-61.6	-42.4	174.6	-72.2	-177.5	176.6	0	0	111.8	E256 E257 T263 F264	E256-E260 PolarHBondContact O-N 2.98Å; E257-E260 PolarHBondContact O-N 3.48Å; E260-T263 PolarHBondContact O-N 2.77Å; E260-F264 VanDerWaalsContact O-CB 3.32Å; E260-F264 WeakPolarHBondContact O-CB 3.18Å; E260-F264 PolarHBondContact O-N 3.35Å
261	Q	94.8	Very high	93.6	Very high	92 Å²	92	114.6 Å²	114.6	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-61	-44.6	174.8	-76	177.8	50.3	0	0	111.7	E257 L258 Q259 F264 W265	E257-Q261 WeakPolarHBondContact O-CB 3.45Å; E257-Q261 VanDerWaalsContact O-CG 3.27Å; E257-Q261 WeakPolarHBondContact O-CG 3.15Å; E257-Q261 PolarHBondContact O-N 2.94Å; L258-Q261 PolarHBondContact O-N 3.11Å; Q259-Q261 VanDerWaalsContact C-N 3.35Å; Q261-F264 PolarHBondContact O-N 3.16Å; Q261-W265 WeakPolarHBondContact O-CB 3.48Å; Q261-W265 PolarHBondContact O-N 3.16Å
262	I	96.6	Very high	94.6	Very high	80 Å²	80	114 Å²	114	41%	0.41	54%	0.543	S	S	.	.	H	α-helix	trans	-59.2	-50	177.1	-70.5	163.9	0	0	0	110.3	L258 Q259 F264 W265 Q266	L258-I262 VanDerWaalsContact O-CG1 3.27Å; L258-I262 WeakPolarHBondContact O-CG1 3.37Å; L258-I262 PolarHBondContact O-N 3.06Å; Q259-I262 PolarHBondContact O-N 2.86Å; I262-F264 VanDerWaalsContact C-N 3.33Å; I262-F264 PolarHBondContact O-N 2.82Å; I262-W265 PolarHBondContact O-N 3.14Å; I262-Q266 HydrophobicContact CG2-CG 4.37Å; I262-Q266 WeakPolarHBondContact O-CB 3.35Å; I262-Q266 VanDerWaalsContact O-CG 3.27Å; I262-Q266 WeakPolarHBondContact O-CG 3.27Å; I262-Q266 PolarHBondContact O-N 3.41Å
263	T	97.2	Very high	95.3	Very high	64 Å²	64	112.9 Å²	112.9	39%	0.393	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-42.9	178.4	-63.3	0	0	0	0	111.5	Q259 E260 Q266 L267	Q259-T263 PolarHBondContact O-N 3.33Å; Q259-T263 PolarHBondContact O-OG1 2.83Å; E260-T263 PolarHBondContact O-N 2.77Å; T263-Q266 PolarHBondContact O-N 3.46Å; T263-L267 HydrophobicContact CG2-CD1 4.3Å; T263-L267 WeakPolarHBondContact O-CG 3.43Å; T263-L267 PolarHBondContact O-N 2.93Å; T263-L267 VanDerWaalsContact O-N 3.08Å
264	F	96.7	Very high	95.9	Very high	103 Å²	103	116.3 Å²	116.3	45%	0.452	55%	0.545	S	S	.	.	H	α-helix	trans	-59.4	-49.3	175.4	173	-97.4	0	0	0	111.8	E260 Q261 I262 Q266 L267 Q268	E260-F264 VanDerWaalsContact O-CB 3.32Å; E260-F264 WeakPolarHBondContact O-CB 3.18Å; E260-F264 PolarHBondContact O-N 3.35Å; Q261-F264 PolarHBondContact O-N 3.16Å; I262-F264 VanDerWaalsContact C-N 3.33Å; I262-F264 PolarHBondContact O-N 2.82Å; F264-Q266 PolarHBondContact O-N 2.93Å; F264-L267 PolarHBondContact O-N 3.23Å; F264-Q268 HydrophobicContact CD1-CG 4.28Å; F264-Q268 HydrophobicContact CE1-CG 3.82Å; F264-Q268 HydrophobicContact CE2-CG 4.27Å; F264-Q268 HydrophobicContact CZ-CG 3.82Å; F264-Q268 WeakPolarHBondContact O-CG 3.36Å; F264-Q268 PolarHBondContact O-N 3.31Å
265	W	97.4	Very high	96.1	Very high	152 Å²	152	121 Å²	121	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-67	-36.6	-178.5	-69.9	124.4	0	0	0	112.7	Q261 I262 Q268 L269	Q261-W265 WeakPolarHBondContact O-CB 3.48Å; Q261-W265 PolarHBondContact O-N 3.16Å; I262-W265 PolarHBondContact O-N 3.14Å; W265-Q268 HydrophobicContact CE3-CB 4.35Å; W265-Q268 HydrophobicContact CE3-CG 4.25Å; W265-Q268 PolarHBondContact O-N 2.91Å; W265-L269 WeakPolarHBondContact O-CG 3.31Å; W265-L269 PolarHBondContact O-N 2.89Å
266	Q	97.7	Very high	96.4	Very high	106 Å²	106	120 Å²	120	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-58.5	-49.3	172.3	-75.1	170.9	-16.4	0	0	111	I262 T263 F264 Q268 L269 D270	I262-Q266 HydrophobicContact CG2-CG 4.37Å; I262-Q266 WeakPolarHBondContact O-CB 3.35Å; I262-Q266 VanDerWaalsContact O-CG 3.27Å; I262-Q266 WeakPolarHBondContact O-CG 3.27Å; I262-Q266 PolarHBondContact O-N 3.41Å; T263-Q266 PolarHBondContact O-N 3.46Å; F264-Q266 PolarHBondContact O-N 2.93Å; Q266-Q268 VanDerWaalsContact C-N 3.26Å; Q266-Q268 PolarHBondContact O-N 3.24Å; Q266-L269 WeakPolarHBondContact O-CB 3.49Å; Q266-L269 PolarHBondContact O-N 2.88Å; Q266-D270 PolarHBondContact O-N 3Å
267	L	96.4	Very high	96.6	Very high	110 Å²	110	117.8 Å²	117.8	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-59.5	-35.8	175.5	-70	169.1	0	0	0	112.6	T263 F264	T263-L267 HydrophobicContact CG2-CD1 4.3Å; T263-L267 WeakPolarHBondContact O-CG 3.43Å; T263-L267 PolarHBondContact O-N 2.93Å; T263-L267 VanDerWaalsContact O-N 3.08Å; F264-L267 PolarHBondContact O-N 3.23Å
268	Q	96.9	Very high	96.8	Very high	59 Å²	59	118.9 Å²	118.9	28%	0.276	56%	0.562	S	S	.	*	H	α-helix	trans	-69	-32.9	175.1	-65.9	-50.8	-46.2	0	0	112.8	F264 W265 Q266 R273	F264-Q268 HydrophobicContact CD1-CG 4.28Å; F264-Q268 HydrophobicContact CE1-CG 3.82Å; F264-Q268 HydrophobicContact CE2-CG 4.27Å; F264-Q268 HydrophobicContact CZ-CG 3.82Å; F264-Q268 WeakPolarHBondContact O-CG 3.36Å; F264-Q268 PolarHBondContact O-N 3.31Å; W265-Q268 HydrophobicContact CE3-CB 4.35Å; W265-Q268 HydrophobicContact CE3-CG 4.25Å; W265-Q268 PolarHBondContact O-N 2.91Å; Q266-Q268 VanDerWaalsContact C-N 3.26Å; Q266-Q268 PolarHBondContact O-N 3.24Å; Q268-R273 VanDerWaalsContact O-CZ 3.26Å; Q268-R273 PolarHBondContact O-NH1 2.95Å; Q268-R273 PolarHBondContact O-NH2 2.88Å
269	L	96.6	Very high	97	Very high	138 Å²	138	117.4 Å²	117.4	72%	0.723	56%	0.556	S	S	*	*	H	α-helix	trans	-72.4	-37.8	178.3	-72.2	170.4	0	0	0	111.8	W265 Q266 R271	W265-L269 WeakPolarHBondContact O-CG 3.31Å; W265-L269 PolarHBondContact O-N 2.89Å; Q266-L269 WeakPolarHBondContact O-CB 3.49Å; Q266-L269 PolarHBondContact O-N 2.88Å; L269-R271 PolarHBondContact O-N 3.14Å
270	D	97.4	Very high	97.1	Very high	119 Å²	119	114.2 Å²	114.2	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-69.1	-14.8	178.8	-66.2	-21.9	0	0	0	113.2	Q266 H272	Q266-D270 PolarHBondContact O-N 3Å; D270-H272 PolarHBondContact O-N 3.08Å
271	R	96.6	Very high	97.2	Very high	170 Å²	170	112.9 Å²	112.9	64%	0.642	54%	0.542	S	S	*	.	S	Bend	trans	-70	113	176.7	-169.3	177.3	-178.1	-166.6	0.7	110.9	L269 R273	L269-R271 PolarHBondContact O-N 3.14Å; R271-R273 PolarHBondContact O-N 3.29Å; R271-R273 PolarHBondContact O-NH1 3.33Å
272	H	96.5	Very high	97.4	Very high	181 Å²	181	112.3 Å²	112.3	84%	0.838	55%	0.549	S	S	*	.			trans	-58.5	126.7	171.2	-62.6	81.2	0	0	0	110.8	D270	D270-H272 PolarHBondContact O-N 3.08Å
273	R	95.8	Very high	97.5	Very high	156 Å²	156	113.7 Å²	113.7	59%	0.589	56%	0.556	S	S	*	*			trans	-118.5	150.7	179.7	-69.9	176	-179.6	78.4	-4	110.5	Q268 R271	Q268-R273 VanDerWaalsContact O-CZ 3.26Å; Q268-R273 PolarHBondContact O-NH1 2.95Å; Q268-R273 PolarHBondContact O-NH2 2.88Å; R271-R273 PolarHBondContact O-N 3.29Å; R271-R273 PolarHBondContact O-NH1 3.33Å
274	L	96.8	Very high	97.5	Very high	132 Å²	132	116.5 Å²	116.5	69%	0.691	57%	0.568	S	S	*	*			trans	-99.5	154	173	-74.7	83.8	0	0	0	110.3	V279	L274-V279 HydrophobicContact CB-CG2 3.82Å
275	K	98.4	Very high	97.6	Very high	164 Å²	164	113.3 Å²	113.3	71%	0.713	56%	0.564	S	S	*	*			trans	-64	142.6	170.8	-66.8	-176.7	177.2	-178.4	0	110	S277 K278 V279	K275-S277 PolarHBondContact O-N 3.08Å; K275-K278 PolarHBondContact O-N 3.3Å; K275-V279 PolarHBondContact O-N 3.17Å; K275-V279 VanDerWaalsContact O-N 3.08Å
276	M	98.2	Very high	97.7	Very high	145 Å²	145	111.9 Å²	111.9	71%	0.714	56%	0.559	S	S	*	*	H	α-helix	trans	-57.6	-35.5	179.2	-75.4	-51	-55.7	0	0	113.6	K278 V279 A280	M276-K278 VanDerWaalsContact C-N 3.31Å; M276-K278 PolarHBondContact O-N 2.86Å; M276-V279 PolarHBondContact O-N 3.33Å; M276-A280 WeakPolarHBondContact O-CB 3.43Å; M276-A280 PolarHBondContact O-N 3.27Å
277	S	98.1	Very high	97.7	Very high	79 Å²	79	110.9 Å²	110.9	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-59.6	-41.7	174.9	52.7	0	0	0	0	112.3	K275 E281	K275-S277 PolarHBondContact O-N 3.08Å; S277-E281 WeakPolarHBondContact O-CB 3.26Å; S277-E281 PolarHBondContact O-N 3.25Å
278	K	98.4	Very high	97.7	Very high	115 Å²	115	112.8 Å²	112.8	50%	0.5	57%	0.567	S	S	.	*	H	α-helix	trans	-71.4	-35.9	177.7	-69.5	-59.9	177.9	-167.4	0	113.1	K275 M276 E281 S282	K275-K278 PolarHBondContact O-N 3.3Å; M276-K278 VanDerWaalsContact C-N 3.31Å; M276-K278 PolarHBondContact O-N 2.86Å; K278-E281 WeakPolarHBondContact CD-OE2 3.45Å; K278-E281 IonicContact NZ-OE1 3.62Å; K278-E281 IonicContact NZ-OE2 3.71Å; K278-E281 PolarHBondContact NZ-OE2 3.46Å; K278-S282 VanDerWaalsContact O-CB 3.25Å; K278-S282 WeakPolarHBondContact O-CB 3.36Å; K278-S282 PolarHBondContact O-N 3.29Å; K278-S282 VanDerWaalsContact O-N 3.08Å
279	V	98.5	Very high	97.8	Very high	49 Å²	49	113.6 Å²	113.6	30%	0.297	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-48.6	173.5	177.4	0	0	0	0	110.5	L274 K275 M276 S282 L283	L274-V279 HydrophobicContact CB-CG2 3.82Å; K275-V279 PolarHBondContact O-N 3.17Å; K275-V279 VanDerWaalsContact O-N 3.08Å; M276-V279 PolarHBondContact O-N 3.33Å; V279-S282 PolarHBondContact O-N 3.18Å; V279-L283 HydrophobicContact CG1-CD1 3.89Å; V279-L283 HydrophobicContact CG1-CG 4.39Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 3.31Å
280	A	98.5	Very high	97.8	Very high	43 Å²	43	108.6 Å²	108.6	36%	0.355	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-47.8	-179.9	0	0	0	0	0	112.1	M276 S282 L283 L284	M276-A280 WeakPolarHBondContact O-CB 3.43Å; M276-A280 PolarHBondContact O-N 3.27Å; A280-S282 VanDerWaalsContact C-N 3.29Å; A280-S282 PolarHBondContact O-N 3.09Å; A280-L283 PolarHBondContact O-N 3.38Å; A280-L284 WeakPolarHBondContact O-CB 3.46Å; A280-L284 WeakPolarHBondContact O-CG 3.49Å; A280-L284 PolarHBondContact O-N 3.35Å
281	E	98.4	Very high	97.8	Very high	114 Å²	114	105.5 Å²	105.5	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-55.7	-44.9	175.8	-175.6	-176.9	-176.5	0	0	111.2	S277 K278 G285	S277-E281 WeakPolarHBondContact O-CB 3.26Å; S277-E281 PolarHBondContact O-N 3.25Å; K278-E281 WeakPolarHBondContact CD-OE2 3.45Å; K278-E281 IonicContact NZ-OE1 3.62Å; K278-E281 IonicContact NZ-OE2 3.71Å; K278-E281 PolarHBondContact NZ-OE2 3.46Å; E281-G285 PolarHBondContact O-N 3.43Å
282	S	98.2	Very high	97.7	Very high	80 Å²	80	102 Å²	102	56%	0.559	52%	0.519	S	S	*	.	H	α-helix	trans	-65.3	-42.7	177.8	-180	0	0	0	0	113.2	K278 V279 A280 Y286	K278-S282 VanDerWaalsContact O-CB 3.25Å; K278-S282 WeakPolarHBondContact O-CB 3.36Å; K278-S282 PolarHBondContact O-N 3.29Å; K278-S282 VanDerWaalsContact O-N 3.08Å; V279-S282 PolarHBondContact O-N 3.18Å; A280-S282 VanDerWaalsContact C-N 3.29Å; A280-S282 PolarHBondContact O-N 3.09Å; S282-Y286 WeakPolarHBondContact O-CB 3.22Å; S282-Y286 PolarHBondContact O-N 3.18Å
283	L	98.6	Very high	97.6	Very high	108 Å²	108	95 Å²	95	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-70.2	-40.3	-179.7	-70.9	174.1	0	0	0	111.7	V279 A280 T287	V279-L283 HydrophobicContact CG1-CD1 3.89Å; V279-L283 HydrophobicContact CG1-CG 4.39Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 3.31Å; A280-L283 PolarHBondContact O-N 3.38Å; L283-T287 WeakPolarHBondContact O-CB 3.43Å; L283-T287 PolarHBondContact O-N 3.07Å; L283-T287 PolarHBondContact O-OG1 3.36Å
284	L	98.4	Very high	97.7	Very high	123 Å²	123	90.5 Å²	90.5	64%	0.644	47%	0.473	S	S	*	.	H	α-helix	trans	-64.7	-49	176	-73.1	168.4	0	0	0	110.5	A280 Y286 T287 E288	A280-L284 WeakPolarHBondContact O-CB 3.46Å; A280-L284 WeakPolarHBondContact O-CG 3.49Å; A280-L284 PolarHBondContact O-N 3.35Å; L284-Y286 VanDerWaalsContact C-N 3.34Å; L284-Y286 PolarHBondContact O-N 3.06Å; L284-T287 PolarHBondContact O-N 3.15Å; L284-T287 VanDerWaalsContact O-N 3.11Å; L284-E288 WeakPolarHBondContact O-CB 3.43Å; L284-E288 PolarHBondContact O-N 3.33Å
285	G	98.3	Very high	97.6	Very high	36 Å²	36	87.4 Å²	87.4	37%	0.371	46%	0.461	S	S	.	.	H	α-helix	trans	-61.9	-39.9	178.7	0	0	0	0	0	112.8	E281 Q289	E281-G285 PolarHBondContact O-N 3.43Å; G285-Q289 WeakPolarHBondContact O-CB 3.34Å; G285-Q289 PolarHBondContact O-N 2.73Å
286	Y	98.1	Very high	97.6	Very high	122 Å²	122	85.3 Å²	85.3	48%	0.478	47%	0.465	S	S	.	.	H	α-helix	trans	-62.3	-46.6	172	-176.1	-86.1	0	0	0	111.2	S282 L284 E288 Q289 Y290	S282-Y286 WeakPolarHBondContact O-CB 3.22Å; S282-Y286 PolarHBondContact O-N 3.18Å; L284-Y286 VanDerWaalsContact C-N 3.34Å; L284-Y286 PolarHBondContact O-N 3.06Å; Y286-E288 PolarHBondContact O-N 2.9Å; Y286-Q289 WeakPolarHBondContact O-CB 3.25Å; Y286-Q289 PolarHBondContact O-N 2.95Å; Y286-Y290 HydrophobicContact CD1-CD2 4.17Å; Y286-Y290 HydrophobicContact CD1-CE2 4.45Å; Y286-Y290 HydrophobicContact CD2-CD2 4.36Å; Y286-Y290 AromaticContact CD2-CE2 3.92Å; Y286-Y290 HydrophobicContact CD2-CE2 3.92Å; Y286-Y290 AromaticContact CE1-CD2 3.85Å; Y286-Y290 HydrophobicContact CE1-CD2 3.85Å; Y286-Y290 AromaticContact CE1-CE2 4Å; Y286-Y290 HydrophobicContact CE1-CE2 4Å; Y286-Y290 HydrophobicContact CE2-CD2 4.09Å; Y286-Y290 AromaticContact CE2-CE2 3.43Å; Y286-Y290 HydrophobicContact CE2-CE2 3.43Å; Y286-Y290 VanDerWaalsContact CE2-CE2 3.43Å; Y286-Y290 HydrophobicContact CG-CD2 4.4Å; Y286-Y290 HydrophobicContact CG-CE2 4.41Å; Y286-Y290 AromaticContact CZ-CD2 3.81Å; Y286-Y290 AromaticContact CZ-CE2 3.45Å; Y286-Y290 VanDerWaalsContact CZ-CE2 3.45Å; Y286-Y290 VanDerWaalsContact O-CD2 3.3Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.49Å; Y286-Y290 PolarHBondContact O-N 3.19Å
287	T	98.2	Very high	97.5	Very high	86 Å²	86	83.6 Å²	83.6	53%	0.528	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-45.9	-179.5	-55	0	0	0	0	111.7	L283 L284 Q289 Y290 V291	L283-T287 WeakPolarHBondContact O-CB 3.43Å; L283-T287 PolarHBondContact O-N 3.07Å; L283-T287 PolarHBondContact O-OG1 3.36Å; L284-T287 PolarHBondContact O-N 3.15Å; L284-T287 VanDerWaalsContact O-N 3.11Å; T287-Q289 VanDerWaalsContact C-N 3.28Å; T287-Q289 PolarHBondContact O-N 3.24Å; T287-Y290 PolarHBondContact O-N 3.37Å; T287-Y290 VanDerWaalsContact O-N 3.13Å; T287-V291 PolarHBondContact O-N 3.48Å
288	E	97.6	Very high	97.3	Very high	150 Å²	150	83.8 Å²	83.8	70%	0.701	45%	0.452	S	S	*	.	H	α-helix	trans	-60.1	-38.4	177.3	-174.2	173.1	-163.1	0	0	111.8	L284 Y286 Y290 V291	L284-E288 WeakPolarHBondContact O-CB 3.43Å; L284-E288 PolarHBondContact O-N 3.33Å; Y286-E288 PolarHBondContact O-N 2.9Å; E288-Y290 VanDerWaalsContact C-N 3.26Å; E288-Y290 PolarHBondContact O-N 2.91Å; E288-V291 VanDerWaalsContact O-CG1 3.31Å; E288-V291 WeakPolarHBondContact O-CG1 3.48Å; E288-V291 PolarHBondContact O-N 2.97Å
289	Q	97.4	Very high	97	Very high	76 Å²	76	84.1 Å²	84.1	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-31.6	177.3	-176.6	174.1	41.6	0	0	113.3	G285 Y286 T287 F332	G285-Q289 WeakPolarHBondContact O-CB 3.34Å; G285-Q289 PolarHBondContact O-N 2.73Å; Y286-Q289 WeakPolarHBondContact O-CB 3.25Å; Y286-Q289 PolarHBondContact O-N 2.95Å; T287-Q289 VanDerWaalsContact C-N 3.28Å; T287-Q289 PolarHBondContact O-N 3.24Å; Q289-F332 HydrophobicContact CG-CD1 3.85Å; Q289-F332 HydrophobicContact CG-CD2 3.72Å; Q289-F332 HydrophobicContact CG-CE1 3.81Å; Q289-F332 HydrophobicContact CG-CE2 3.66Å; Q289-F332 HydrophobicContact CG-CG 3.79Å; Q289-F332 HydrophobicContact CG-CZ 3.69Å; Q289-F332 VanDerWaalsContact NE2-CG 3.32Å; Q289-F332 VanDerWaalsContact O-CE2 3.29Å; Q289-F332 WeakPolarHBondContact O-CE2 3.43Å; Q289-F332 WeakPolarHBondContact O-CZ 3.26Å
290	Y	97.3	Very high	96.5	Very high	32 Å²	32	83 Å²	83	13%	0.125	46%	0.457	C	S	.	.	H	α-helix	trans	-102.5	-1.7	-177.6	-73.5	-93.7	0	0	0	114.2	Y286 T287 E288 E292 Y293 D294 R329 F332 E336	Y286-Y290 HydrophobicContact CD1-CD2 4.17Å; Y286-Y290 HydrophobicContact CD1-CE2 4.45Å; Y286-Y290 HydrophobicContact CD2-CD2 4.36Å; Y286-Y290 AromaticContact CD2-CE2 3.92Å; Y286-Y290 HydrophobicContact CD2-CE2 3.92Å; Y286-Y290 AromaticContact CE1-CD2 3.85Å; Y286-Y290 HydrophobicContact CE1-CD2 3.85Å; Y286-Y290 AromaticContact CE1-CE2 4Å; Y286-Y290 HydrophobicContact CE1-CE2 4Å; Y286-Y290 HydrophobicContact CE2-CD2 4.09Å; Y286-Y290 AromaticContact CE2-CE2 3.43Å; Y286-Y290 HydrophobicContact CE2-CE2 3.43Å; Y286-Y290 VanDerWaalsContact CE2-CE2 3.43Å; Y286-Y290 HydrophobicContact CG-CD2 4.4Å; Y286-Y290 HydrophobicContact CG-CE2 4.41Å; Y286-Y290 AromaticContact CZ-CD2 3.81Å; Y286-Y290 AromaticContact CZ-CE2 3.45Å; Y286-Y290 VanDerWaalsContact CZ-CE2 3.45Å; Y286-Y290 VanDerWaalsContact O-CD2 3.3Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.49Å; Y286-Y290 PolarHBondContact O-N 3.19Å; T287-Y290 PolarHBondContact O-N 3.37Å; T287-Y290 VanDerWaalsContact O-N 3.13Å; E288-Y290 VanDerWaalsContact C-N 3.26Å; E288-Y290 PolarHBondContact O-N 2.91Å; Y290-E292 VanDerWaalsContact C-N 3.27Å; Y290-E292 PolarHBondContact O-N 2.92Å; Y290-Y293 WeakPolarHBondContact O-CA 3.49Å; Y290-Y293 WeakPolarHBondContact O-CB 3.25Å; Y290-Y293 PolarHBondContact O-N 3.24Å; Y290-D294 PolarHBondContact O-N 3.32Å; Y290-R329 HydrophobicContact CE1-CG 4.28Å; Y290-F332 HydrophobicContact CD1-CD2 4.28Å; Y290-F332 HydrophobicContact CD1-CE2 4.31Å; Y290-F332 HydrophobicContact CD2-CD2 4.46Å; Y290-F332 AromaticContact CE1-CD2 3.75Å; Y290-F332 HydrophobicContact CE1-CD2 3.75Å; Y290-F332 HydrophobicContact CE1-CE2 4.21Å; Y290-F332 AromaticContact CE2-CD2 3.95Å; Y290-F332 HydrophobicContact CE2-CD2 3.95Å; Y290-F332 AromaticContact CZ-CD2 3.57Å; Y290-E336 VanDerWaalsContact OH-CG 3.23Å; Y290-E336 WeakPolarHBondContact OH-CG 3.43Å; Y290-E336 PolarHBondContact OH-OE1 3.39Å
291	V	97.3	Very high	96	Very high	54 Å²	54	86.5 Å²	86.5	33%	0.327	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-57.9	-38	-175.8	77.5	0	0	0	0	112.7	T287 E288 Y293 D294 L297 M298	T287-V291 PolarHBondContact O-N 3.48Å; E288-V291 VanDerWaalsContact O-CG1 3.31Å; E288-V291 WeakPolarHBondContact O-CG1 3.48Å; E288-V291 PolarHBondContact O-N 2.97Å; V291-Y293 PolarHBondContact O-N 3.03Å; V291-Y293 VanDerWaalsContact O-N 3.17Å; V291-D294 PolarHBondContact O-N 3.33Å; V291-L297 HydrophobicContact CG2-CB 4.48Å; V291-L297 HydrophobicContact CG2-CD1 3.87Å; V291-M298 WeakPolarHBondContact O-CG 3.48Å
292	E	95.3	Very high	95.6	Very high	97 Å²	97	83.9 Å²	83.9	45%	0.453	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-64.6	-16.5	176.3	-66.7	-175	164.5	0	0	113.3	Y290 K328	Y290-E292 VanDerWaalsContact C-N 3.27Å; Y290-E292 PolarHBondContact O-N 2.92Å; E292-K328 IonicContact OE2-NZ 2.8Å; E292-K328 PolarHBondContact OE2-NZ 3.39Å
293	Y	94.9	Very high	95.4	Very high	34 Å²	34	81.5 Å²	81.5	13%	0.133	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-107.5	0.3	-177	-58.7	-95.8	0	0	0	112.7	Y290 V291 P295 Q325 R329 F332	Y290-Y293 WeakPolarHBondContact O-CA 3.49Å; Y290-Y293 WeakPolarHBondContact O-CB 3.25Å; Y290-Y293 PolarHBondContact O-N 3.24Å; V291-Y293 PolarHBondContact O-N 3.03Å; V291-Y293 VanDerWaalsContact O-N 3.17Å; Y293-P295 WeakPolarHBondContact O-CD 3.27Å; Y293-Q325 HydrophobicContact CE1-CB 3.96Å; Y293-Q325 WeakPolarHBondContact CE1-O 3.47Å; Y293-Q325 PolarHBondContact OH-O 2.88Å; Y293-R329 HydrophobicContact CE1-CB 3.85Å; Y293-R329 HydrophobicContact CE1-CG 4.38Å; Y293-R329 PolarHBondContact OH-N 2.81Å; Y293-F332 HydrophobicContact CD2-CE2 4.09Å; Y293-F332 HydrophobicContact CD2-CZ 4.49Å; Y293-F332 AromaticContact CE2-CE2 3.5Å; Y293-F332 HydrophobicContact CE2-CE2 3.5Å; Y293-F332 AromaticContact CE2-CZ 3.56Å; Y293-F332 HydrophobicContact CE2-CZ 3.56Å
294	D	96.9	Very high	95.2	Very high	62 Å²	62	78 Å²	78	33%	0.332	43%	0.428	S	S	.	.			trans	-89	112.1	179.5	-168	-38.8	0	0	0	110.3	Y290 V291 C296 L297 M298	Y290-D294 PolarHBondContact O-N 3.32Å; V291-D294 PolarHBondContact O-N 3.33Å; D294-C296 PolarHBondContact O-N 2.77Å; D294-C296 VanDerWaalsContact OD1-CB 3.27Å; D294-C296 WeakPolarHBondContact OD1-CB 3.5Å; D294-C296 PolarHBondContact OD1-N 2.92Å; D294-L297 HydrophobicContact CB-CB 4.24Å; D294-L297 HydrophobicContact CB-CD1 4.16Å; D294-L297 HydrophobicContact CB-CG 4.19Å; D294-L297 PolarHBondContact O-N 2.95Å; D294-L297 VanDerWaalsContact O-N 3.15Å; D294-M298 PolarHBondContact O-N 2.87Å
295	P	95.6	Very high	95.2	Very high	67 Å²	67	72.4 Å²	72.4	44%	0.435	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.2	-178.3	-20.7	34.8	0	0	0	114.8	Y293 Q300	Y293-P295 WeakPolarHBondContact O-CD 3.27Å; P295-Q300 HydrophobicContact CB-CG 3.82Å; P295-Q300 HydrophobicContact CG-CG 4.26Å
296	C	96.6	Very high	95.1	Very high	120 Å²	120	80.1 Å²	80.1	81%	0.811	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-24.5	177.2	-63.3	0	0	0	0	112.2	D294	D294-C296 PolarHBondContact O-N 2.77Å; D294-C296 VanDerWaalsContact OD1-CB 3.27Å; D294-C296 WeakPolarHBondContact OD1-CB 3.5Å; D294-C296 PolarHBondContact OD1-N 2.92Å
297	L	96.3	Very high	95	Very high	109 Å²	109	81.1 Å²	81.1	57%	0.571	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-35.7	-176	-57.4	179.9	0	0	0	112.2	V291 D294	V291-L297 HydrophobicContact CG2-CB 4.48Å; V291-L297 HydrophobicContact CG2-CD1 3.87Å; D294-L297 HydrophobicContact CB-CB 4.24Å; D294-L297 HydrophobicContact CB-CD1 4.16Å; D294-L297 HydrophobicContact CB-CG 4.19Å; D294-L297 PolarHBondContact O-N 2.95Å; D294-L297 VanDerWaalsContact O-N 3.15Å
298	M	94.9	Very high	94.9	Very high	83 Å²	83	79.5 Å²	79.5	41%	0.409	42%	0.421	S	S	.	.	S	Bend	trans	-124.2	138.1	-174.3	-64.5	-61.8	-69.3	0	0	111.5	V291 D294 Q300	V291-M298 WeakPolarHBondContact O-CG 3.48Å; D294-M298 PolarHBondContact O-N 2.87Å; M298-Q300 PolarHBondContact O-NE2 3.36Å
299	P	91.8	Very high	94.9	Very high	121 Å²	121	79.5 Å²	79.5	79%	0.786	43%	0.426	S	S	*	.			trans	-62.6	139.4	176.3	27.5	-34.1	0	0	0	110.5
300	Q	89.2	Confident	94.8	Very high	27 Å²	27	78.6 Å²	78.6	13%	0.126	42%	0.424	C	S	.	.			trans	-91.4	146.4	-179.7	-59.1	-60.9	-65	0	0	110.8	P295 M298 P302 S303 L313	P295-Q300 HydrophobicContact CB-CG 3.82Å; P295-Q300 HydrophobicContact CG-CG 4.26Å; M298-Q300 PolarHBondContact O-NE2 3.36Å; Q300-P302 CarbonylContact O-C 3.5Å; Q300-P302 VanDerWaalsContact O-C 3.25Å; Q300-S303 WeakPolarHBondContact O-CA 3.42Å; Q300-S303 PolarHBondContact O-N 3.46Å; Q300-L313 HydrophobicContact CB-CD2 3.75Å; Q300-L313 HydrophobicContact CG-CD2 4.12Å
301	D	86.6	Confident	94.8	Very high	116 Å²	116	80.1 Å²	80.1	62%	0.62	44%	0.436	S	S	*	.	S	Bend	trans	-106.2	117.8	177	176.9	28.9	0	0	0	109.6	L313	D301-L313 WeakPolarHBondContact O-CD1 3.14Å
302	P	89.5	Confident	94.7	Very high	59 Å²	59	80.1 Å²	80.1	38%	0.383	44%	0.436	S	S	.	.	S	Bend	cis	-81.7	-35.7	12.3	30	-34.6	0	0	0	115.3	Q300 T312	Q300-P302 CarbonylContact O-C 3.5Å; Q300-P302 VanDerWaalsContact O-C 3.25Å; P302-T312 HydrophobicContact CG-CG2 3.96Å
303	S	94.3	Very high	94.6	Very high	29 Å²	29	76.4 Å²	76.4	20%	0.203	42%	0.419	C	S	.	.			trans	-162.9	163.3	177.2	63.2	0	0	0	0	110.8	Q300 P305 S308	Q300-S303 WeakPolarHBondContact O-CA 3.42Å; Q300-S303 PolarHBondContact O-N 3.46Å; S303-P305 WeakPolarHBondContact O-CD 3.45Å; S303-S308 WeakPolarHBondContact OG-CB 3.47Å; S303-S308 PolarHBondContact OG-OG 2.99Å
304	N	95.6	Very high	94.6	Very high	35 Å²	35	79.8 Å²	79.8	19%	0.187	43%	0.432	C	S	.	.			trans	-77.3	116.5	172.7	-175.9	-25.9	0	0	0	109.4	W306 I307 S308	N304-W306 PolarHBondContact O-N 3.18Å; N304-W306 WeakPolarHBondContact OD1-CB 3.37Å; N304-W306 VanDerWaalsContact OD1-CD1 3.25Å; N304-W306 PolarHBondContact OD1-N 3.05Å; N304-W306 VanDerWaalsContact OD1-N 3.09Å; N304-I307 HydrophobicContact CB-CB 4.45Å; N304-I307 HydrophobicContact CB-CD1 4.08Å; N304-I307 HydrophobicContact CB-CG1 4.23Å; N304-I307 PolarHBondContact O-N 3.39Å; N304-S308 PolarHBondContact O-N 3.17Å; N304-S308 PolarHBondContact O-OG 2.88Å
305	P	96.9	Very high	94.5	Very high	6 Å²	6	82.8 Å²	82.8	4%	0.039	44%	0.444	C	S	.	.	H	α-helix	trans	-58.2	-26.6	-175.2	-27.4	36.7	0	0	0	114.3	S303 I307 D309 D310 L313 W314	S303-P305 WeakPolarHBondContact O-CD 3.45Å; P305-I307 PolarHBondContact O-N 2.92Å; P305-D309 WeakPolarHBondContact O-CA 3.37Å; P305-D309 PolarHBondContact O-N 3.27Å; P305-D310 WeakPolarHBondContact CA-O 3.35Å; P305-D310 VanDerWaalsContact CB-O 3.29Å; P305-D310 WeakPolarHBondContact CB-O 3.47Å; P305-D310 WeakPolarHBondContact CG-O 3.25Å; P305-L313 HydrophobicContact CG-CB 3.96Å; P305-L313 HydrophobicContact CG-CD2 4.36Å; P305-W314 HydrophobicContact CB-CD2 4.2Å; P305-W314 HydrophobicContact CB-CE3 4.49Å; P305-W314 HydrophobicContact CB-CH2 4.06Å; P305-W314 HydrophobicContact CB-CZ2 3.73Å; P305-W314 HydrophobicContact CB-CZ3 4.43Å; P305-W314 HydrophobicContact CG-CD2 4.06Å; P305-W314 HydrophobicContact CG-CG 4.24Å; P305-W314 HydrophobicContact CG-CZ2 4.16Å
306	W	96.6	Very high	94.4	Very high	198 Å²	198	83.8 Å²	83.8	75%	0.75	45%	0.445	S	S	*	.	H	α-helix	trans	-74.1	-14.3	177.8	-57.9	108.6	0	0	0	113.9	N304 W314	N304-W306 PolarHBondContact O-N 3.18Å; N304-W306 WeakPolarHBondContact OD1-CB 3.37Å; N304-W306 VanDerWaalsContact OD1-CD1 3.25Å; N304-W306 PolarHBondContact OD1-N 3.05Å; N304-W306 VanDerWaalsContact OD1-N 3.09Å; W306-W314 HydrophobicContact CD2-CZ2 4.35Å; W306-W314 AromaticContact CE2-CZ2 3.71Å; W306-W314 HydrophobicContact CH2-CH2 4.22Å; W306-W314 HydrophobicContact CH2-CZ2 4.39Å; W306-W314 HydrophobicContact CZ2-CH2 4.03Å; W306-W314 AromaticContact CZ2-CZ2 3.74Å; W306-W314 HydrophobicContact CZ2-CZ2 3.74Å; W306-W314 AromaticContact NE1-CZ2 3.86Å
307	I	96.4	Very high	94.1	Very high	143 Å²	143	83.2 Å²	83.2	73%	0.733	43%	0.431	S	S	*	.	H	α-helix	trans	-108.3	-37.9	-179.1	-58.1	177.8	0	0	0	110.4	N304 P305	N304-I307 HydrophobicContact CB-CB 4.45Å; N304-I307 HydrophobicContact CB-CD1 4.08Å; N304-I307 HydrophobicContact CB-CG1 4.23Å; N304-I307 PolarHBondContact O-N 3.39Å; P305-I307 PolarHBondContact O-N 2.92Å
308	S	96.5	Very high	93.9	Very high	52 Å²	52	83.9 Å²	83.9	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-98.4	-11.6	-174.2	58.2	0	0	0	0	114.6	S303 N304 D310	S303-S308 WeakPolarHBondContact OG-CB 3.47Å; S303-S308 PolarHBondContact OG-OG 2.99Å; N304-S308 PolarHBondContact O-N 3.17Å; N304-S308 PolarHBondContact O-OG 2.88Å; S308-D310 PolarHBondContact O-N 3.16Å; S308-D310 VanDerWaalsContact O-N 3.15Å; S308-D310 PolarHBondContact OG-N 3.37Å
309	D	96.4	Very high	93.7	Very high	149 Å²	149	81.8 Å²	81.8	80%	0.797	43%	0.432	S	S	*	.			trans	55.4	20.9	-167.9	-62.2	-35.1	0	0	0	113.7	P305	P305-D309 WeakPolarHBondContact O-CA 3.37Å; P305-D309 PolarHBondContact O-N 3.27Å
310	D	96.5	Very high	93.7	Very high	58 Å²	58	84.8 Å²	84.8	31%	0.31	43%	0.433	S	S	.	.			trans	-102.8	112.6	176	175.8	13.7	0	0	0	110.8	P305 S308 T312	P305-D310 WeakPolarHBondContact CA-O 3.35Å; P305-D310 VanDerWaalsContact CB-O 3.29Å; P305-D310 WeakPolarHBondContact CB-O 3.47Å; P305-D310 WeakPolarHBondContact CG-O 3.25Å; S308-D310 PolarHBondContact O-N 3.16Å; S308-D310 VanDerWaalsContact O-N 3.15Å; S308-D310 PolarHBondContact OG-N 3.37Å; D310-T312 VanDerWaalsContact C-N 3.27Å; D310-T312 PolarHBondContact O-N 3.41Å; D310-T312 WeakPolarHBondContact OD1-CB 3.33Å; D310-T312 PolarHBondContact OD1-N 3.41Å; D310-T312 PolarHBondContact OD1-OG1 2.99Å; D310-T312 PolarHBondContact OD2-OG1 3.22Å
311	T	97.1	Very high	93.8	Very high	64 Å²	64	90.4 Å²	90.4	39%	0.393	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.8	-178.1	57.6	0	0	0	0	114.3	L313 W314 E315	T311-L313 PolarHBondContact O-N 2.91Å; T311-L313 VanDerWaalsContact O-N 3.14Å; T311-W314 HydrophobicContact CG2-CE3 3.77Å; T311-W314 HydrophobicContact CG2-CZ3 3.8Å; T311-W314 PolarHBondContact O-N 2.95Å; T311-E315 PolarHBondContact O-N 3.12Å
312	T	95.7	Very high	94.1	Very high	54 Å²	54	86.2 Å²	86.2	33%	0.331	44%	0.438	S	S	.	.	H	α-helix	trans	-52.8	-38.3	-177.9	-61.6	0	0	0	0	112.5	P302 D310 W314 E315 L316	P302-T312 HydrophobicContact CG-CG2 3.96Å; D310-T312 VanDerWaalsContact C-N 3.27Å; D310-T312 PolarHBondContact O-N 3.41Å; D310-T312 WeakPolarHBondContact OD1-CB 3.33Å; D310-T312 PolarHBondContact OD1-N 3.41Å; D310-T312 PolarHBondContact OD1-OG1 2.99Å; D310-T312 PolarHBondContact OD2-OG1 3.22Å; T312-W314 PolarHBondContact O-N 3.24Å; T312-E315 PolarHBondContact O-N 2.82Å; T312-L316 HydrophobicContact CG2-CD1 4.06Å; T312-L316 HydrophobicContact CG2-CG 4.33Å; T312-L316 VanDerWaalsContact O-CG 3.32Å; T312-L316 WeakPolarHBondContact O-CG 3.22Å; T312-L316 PolarHBondContact O-N 3.41Å
313	L	93.3	Very high	94.1	Very high	18 Å²	18	84.5 Å²	84.5	9%	0.094	43%	0.432	C	S	.	.	H	α-helix	trans	-59	-46.6	177.5	-179.9	65.5	0	0	0	112.1	Q300 D301 P305 T311 E315 L316 E317	Q300-L313 HydrophobicContact CB-CD2 3.75Å; Q300-L313 HydrophobicContact CG-CD2 4.12Å; D301-L313 WeakPolarHBondContact O-CD1 3.14Å; P305-L313 HydrophobicContact CG-CB 3.96Å; P305-L313 HydrophobicContact CG-CD2 4.36Å; T311-L313 PolarHBondContact O-N 2.91Å; T311-L313 VanDerWaalsContact O-N 3.14Å; L313-E315 VanDerWaalsContact C-N 3.31Å; L313-E315 PolarHBondContact O-N 2.88Å; L313-L316 WeakPolarHBondContact O-CB 3.36Å; L313-L316 PolarHBondContact O-N 3.21Å; L313-E317 WeakPolarHBondContact O-CG 3.39Å; L313-E317 PolarHBondContact O-N 3.01Å
314	W	95.3	Very high	93.9	Very high	106 Å²	106	87.2 Å²	87.2	40%	0.402	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-37.7	179.9	-65.1	-24.4	0	0	0	111.9	P305 W306 T311 T312 E317 V318	P305-W314 HydrophobicContact CB-CD2 4.2Å; P305-W314 HydrophobicContact CB-CE3 4.49Å; P305-W314 HydrophobicContact CB-CH2 4.06Å; P305-W314 HydrophobicContact CB-CZ2 3.73Å; P305-W314 HydrophobicContact CB-CZ3 4.43Å; P305-W314 HydrophobicContact CG-CD2 4.06Å; P305-W314 HydrophobicContact CG-CG 4.24Å; P305-W314 HydrophobicContact CG-CZ2 4.16Å; W306-W314 HydrophobicContact CD2-CZ2 4.35Å; W306-W314 AromaticContact CE2-CZ2 3.71Å; W306-W314 HydrophobicContact CH2-CH2 4.22Å; W306-W314 HydrophobicContact CH2-CZ2 4.39Å; W306-W314 HydrophobicContact CZ2-CH2 4.03Å; W306-W314 AromaticContact CZ2-CZ2 3.74Å; W306-W314 HydrophobicContact CZ2-CZ2 3.74Å; W306-W314 AromaticContact NE1-CZ2 3.86Å; T311-W314 HydrophobicContact CG2-CE3 3.77Å; T311-W314 HydrophobicContact CG2-CZ3 3.8Å; T311-W314 PolarHBondContact O-N 2.95Å; T312-W314 PolarHBondContact O-N 3.24Å; W314-E317 PolarHBondContact O-N 3.03Å; W314-V318 WeakPolarHBondContact O-CG2 3.49Å; W314-V318 PolarHBondContact O-N 3.37Å
315	E	94.8	Very high	93.7	Very high	124 Å²	124	90.3 Å²	90.3	58%	0.579	46%	0.455	S	S	*	.	H	α-helix	trans	-63.6	-40.9	174.9	-65.1	-179.1	-175.9	0	0	111.8	T311 T312 L313 E317 V318 S319	T311-E315 PolarHBondContact O-N 3.12Å; T312-E315 PolarHBondContact O-N 2.82Å; L313-E315 VanDerWaalsContact C-N 3.31Å; L313-E315 PolarHBondContact O-N 2.88Å; E315-E317 VanDerWaalsContact C-N 3.35Å; E315-V318 WeakPolarHBondContact O-CG2 3.46Å; E315-V318 PolarHBondContact O-N 2.93Å; E315-S319 PolarHBondContact O-N 2.96Å; E315-S319 VanDerWaalsContact O-N 3.07Å
316	L	91.7	Very high	93.6	Very high	88 Å²	88	92.2 Å²	92.2	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-36.3	175.2	-69.9	171.7	0	0	0	112.3	T312 L313 S319	T312-L316 HydrophobicContact CG2-CD1 4.06Å; T312-L316 HydrophobicContact CG2-CG 4.33Å; T312-L316 VanDerWaalsContact O-CG 3.32Å; T312-L316 WeakPolarHBondContact O-CG 3.22Å; T312-L316 PolarHBondContact O-N 3.41Å; L313-L316 WeakPolarHBondContact O-CB 3.36Å; L313-L316 PolarHBondContact O-N 3.21Å; L316-S319 VanDerWaalsContact O-CB 3.31Å; L316-S319 WeakPolarHBondContact O-CB 3.41Å; L316-S319 PolarHBondContact O-N 2.73Å
317	E	90.1	Very high	93.6	Very high	108 Å²	108	82.8 Å²	82.8	51%	0.505	43%	0.426	S	S	.	.	H	α-helix	trans	-68.8	-35.5	178.1	-74.7	-172.3	159.9	0	0	113.2	L313 W314 E315 R326	L313-E317 WeakPolarHBondContact O-CG 3.39Å; L313-E317 PolarHBondContact O-N 3.01Å; W314-E317 PolarHBondContact O-N 3.03Å; E315-E317 VanDerWaalsContact C-N 3.35Å; E317-R326 VanDerWaalsContact O-CZ 3.26Å; E317-R326 PolarHBondContact O-NH1 2.85Å
318	V	92.3	Very high	93.6	Very high	123 Å²	123	80 Å²	80	75%	0.745	41%	0.408	S	S	*	.	H	α-helix	trans	-86.8	-9	176.7	-59.7	0	0	0	0	113.5	W314 E315	W314-V318 WeakPolarHBondContact O-CG2 3.49Å; W314-V318 PolarHBondContact O-N 3.37Å; E315-V318 WeakPolarHBondContact O-CG2 3.46Å; E315-V318 PolarHBondContact O-N 2.93Å
319	S	92.1	Very high	93.6	Very high	39 Å²	39	81.9 Å²	81.9	27%	0.273	41%	0.407	S	S	.	.			trans	-54.8	146.7	179.6	-177.8	0	0	0	0	112.5	E315 L316 E321 R326	E315-S319 PolarHBondContact O-N 2.96Å; E315-S319 VanDerWaalsContact O-N 3.07Å; L316-S319 VanDerWaalsContact O-CB 3.31Å; L316-S319 WeakPolarHBondContact O-CB 3.41Å; L316-S319 PolarHBondContact O-N 2.73Å; S319-E321 PolarHBondContact OG-N 2.89Å; S319-E321 VanDerWaalsContact OG-N 3.08Å; S319-E321 PolarHBondContact OG-O 3.02Å; S319-R326 PolarHBondContact O-NH1 2.8Å
320	K	92	Very high	93.7	Very high	184 Å²	184	75 Å²	75	80%	0.8	37%	0.37	S	S	*	.	S	Bend	trans	-74.7	-16.9	170.5	-66.5	-173.2	178.5	-176.9	0	112.6	P322	K320-P322 VanDerWaalsContact O-CD 3.3Å; K320-P322 WeakPolarHBondContact O-CD 3.37Å
321	E	91	Very high	93.7	Very high	145 Å²	145	74.1 Å²	74.1	68%	0.678	37%	0.371	S	S	*	.	S	Bend	trans	-99.6	96.4	173	-66.5	-171.6	-174.5	0	0	109	S319	S319-E321 PolarHBondContact OG-N 2.89Å; S319-E321 VanDerWaalsContact OG-N 3.08Å; S319-E321 PolarHBondContact OG-O 3.02Å
322	P	91.2	Very high	93.8	Very high	28 Å²	28	73.4 Å²	73.4	18%	0.182	36%	0.363	C	S	.	.			trans	-73.4	135.9	-172.4	31	-34.6	0	0	0	110.6	K320 R326 V327 W330 V342	K320-P322 VanDerWaalsContact O-CD 3.3Å; K320-P322 WeakPolarHBondContact O-CD 3.37Å; P322-R326 HydrophobicContact CB-CB 4.41Å; P322-R326 HydrophobicContact CB-CG 4.22Å; P322-V327 HydrophobicContact CB-CG2 3.84Å; P322-V327 HydrophobicContact CG-CG2 3.68Å; P322-W330 HydrophobicContact CB-CH2 4.31Å; P322-W330 HydrophobicContact CB-CZ2 4.18Å; P322-W330 HydrophobicContact CG-CH2 3.85Å; P322-W330 HydrophobicContact CG-CZ2 4.22Å; P322-V342 HydrophobicContact CG-CG1 3.94Å
323	G	89.8	Confident	93.8	Very high	24 Å²	24	71.6 Å²	71.6	25%	0.247	36%	0.355	C	S	.	.			trans	-65.5	161.7	171.7	0	0	0	0	0	112.7	Q325 R326 V327	G323-Q325 VanDerWaalsContact C-N 3.33Å; G323-Q325 PolarHBondContact O-N 3Å; G323-R326 WeakPolarHBondContact O-CB 3.35Å; G323-R326 PolarHBondContact O-N 3.07Å; G323-R326 VanDerWaalsContact O-N 3.16Å; G323-V327 PolarHBondContact O-N 3.49Å; G323-V327 VanDerWaalsContact O-N 3.07Å
324	Q	91.6	Very high	94.1	Very high	86 Å²	86	70.8 Å²	70.8	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-41.1	-176.8	-173.7	178.5	41.3	0	0	113.2	V327 K328 L448	Q324-V327 PolarHBondContact O-N 3.35Å; Q324-K328 WeakPolarHBondContact O-CB 3.46Å; Q324-K328 PolarHBondContact O-N 2.89Å; Q324-L448 HydrophobicContact CG-CD1 4.07Å; Q324-L448 PolarHBondContact NE2-O 3Å
325	Q	91.6	Very high	94.2	Very high	99 Å²	99	68.7 Å²	68.7	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-45.5	177.7	-73.4	-178	-9.7	0	0	111.4	Y293 G323 V327 K328 R329	Y293-Q325 HydrophobicContact CE1-CB 3.96Å; Y293-Q325 WeakPolarHBondContact CE1-O 3.47Å; Y293-Q325 PolarHBondContact OH-O 2.88Å; G323-Q325 VanDerWaalsContact C-N 3.33Å; G323-Q325 PolarHBondContact O-N 3Å; Q325-V327 VanDerWaalsContact C-N 3.32Å; Q325-V327 PolarHBondContact O-N 3.47Å; Q325-K328 WeakPolarHBondContact O-CB 3.4Å; Q325-K328 PolarHBondContact O-N 3.3Å; Q325-K328 VanDerWaalsContact O-N 3.16Å; Q325-R329 PolarHBondContact O-N 2.81Å
326	R	94.5	Very high	94.3	Very high	46 Å²	46	63.3 Å²	63.3	17%	0.174	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-43.1	175.5	-175.4	173	171.7	-160.3	-3.4	112	E317 S319 P322 G323 R329 W330 D340	E317-R326 VanDerWaalsContact O-CZ 3.26Å; E317-R326 PolarHBondContact O-NH1 2.85Å; S319-R326 PolarHBondContact O-NH1 2.8Å; P322-R326 HydrophobicContact CB-CB 4.41Å; P322-R326 HydrophobicContact CB-CG 4.22Å; G323-R326 WeakPolarHBondContact O-CB 3.35Å; G323-R326 PolarHBondContact O-N 3.07Å; G323-R326 VanDerWaalsContact O-N 3.16Å; R326-R329 WeakPolarHBondContact O-CB 3.43Å; R326-R329 PolarHBondContact O-N 2.95Å; R326-W330 VanDerWaalsContact O-CD1 3.3Å; R326-W330 PolarHBondContact O-NE1 2.73Å; R326-D340 WeakPolarHBondContact CG-OD2 3.14Å; R326-D340 IonicContact CZ-OD1 3.11Å; R326-D340 IonicContact CZ-OD2 2.64Å; R326-D340 IonicContact NE-OD1 3.71Å; R326-D340 IonicContact NE-OD2 3.49Å; R326-D340 PolarHBondContact NE-OD2 3.35Å; R326-D340 IonicContact NH2-OD1 3.79Å; R326-D340 PolarHBondContact NH2-OD1 2.93Å; R326-D340 IonicContact NH2-OD2 3.45Å; R326-D340 PolarHBondContact NH2-OD2 3.37Å
327	V	96.4	Very high	94.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-69.3	-39	175.5	179.2	0	0	0	0	112.4	P322 G323 Q324 Q325 R329 W330 Y444 L447 L448	P322-V327 HydrophobicContact CB-CG2 3.84Å; P322-V327 HydrophobicContact CG-CG2 3.68Å; G323-V327 PolarHBondContact O-N 3.49Å; G323-V327 VanDerWaalsContact O-N 3.07Å; Q324-V327 PolarHBondContact O-N 3.35Å; Q325-V327 VanDerWaalsContact C-N 3.32Å; Q325-V327 PolarHBondContact O-N 3.47Å; V327-R329 VanDerWaalsContact C-N 3.28Å; V327-R329 PolarHBondContact O-N 3.22Å; V327-W330 HydrophobicContact CB-CE3 4.36Å; V327-W330 HydrophobicContact CB-CZ3 4.42Å; V327-W330 HydrophobicContact CG1-CE3 3.95Å; V327-W330 HydrophobicContact CG1-CZ3 4.08Å; V327-W330 HydrophobicContact CG2-CE3 4.42Å; V327-W330 HydrophobicContact CG2-CH2 4.01Å; V327-W330 HydrophobicContact CG2-CZ2 4.4Å; V327-W330 HydrophobicContact CG2-CZ3 4.02Å; V327-W330 VanDerWaalsContact O-CB 3.31Å; V327-W330 WeakPolarHBondContact O-CB 3.42Å; V327-W330 PolarHBondContact O-N 2.92Å; V327-Y444 HydrophobicContact CG1-CD2 4.21Å; V327-Y444 HydrophobicContact CG1-CE2 3.61Å; V327-Y444 WeakPolarHBondContact O-CE2 3.43Å; V327-Y444 PolarHBondContact O-OH 3.33Å; V327-L447 HydrophobicContact CG1-CB 4.04Å; V327-L448 HydrophobicContact CG1-CB 4.32Å; V327-L448 HydrophobicContact CG1-CD1 4.27Å
328	K	96.2	Very high	95	Very high	85 Å²	85	54.5 Å²	54.5	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-40.3	176.4	-177.6	-175.2	173.8	-165.7	0	110.6	E292 Q324 Q325 W330 A331 L448	E292-K328 IonicContact OE2-NZ 2.8Å; E292-K328 PolarHBondContact OE2-NZ 3.39Å; Q324-K328 WeakPolarHBondContact O-CB 3.46Å; Q324-K328 PolarHBondContact O-N 2.89Å; Q325-K328 WeakPolarHBondContact O-CB 3.4Å; Q325-K328 PolarHBondContact O-N 3.3Å; Q325-K328 VanDerWaalsContact O-N 3.16Å; K328-W330 VanDerWaalsContact C-N 3.26Å; K328-W330 PolarHBondContact O-N 3.44Å; K328-A331 WeakPolarHBondContact O-CB 3.34Å; K328-A331 PolarHBondContact O-N 3.45Å; K328-A331 VanDerWaalsContact O-N 3.11Å; K328-L448 HydrophobicContact CB-CD1 4.08Å
329	R	96.9	Very high	95.2	Very high	91 Å²	91	54.9 Å²	54.9	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-31.7	178.3	-172.5	173.6	166.4	167.5	2.2	113.5	Y290 Y293 Q325 R326 V327 A331 F332 E336	Y290-R329 HydrophobicContact CE1-CG 4.28Å; Y293-R329 HydrophobicContact CE1-CB 3.85Å; Y293-R329 HydrophobicContact CE1-CG 4.38Å; Y293-R329 PolarHBondContact OH-N 2.81Å; Q325-R329 PolarHBondContact O-N 2.81Å; R326-R329 WeakPolarHBondContact O-CB 3.43Å; R326-R329 PolarHBondContact O-N 2.95Å; V327-R329 VanDerWaalsContact C-N 3.28Å; V327-R329 PolarHBondContact O-N 3.22Å; R329-A331 PolarHBondContact O-N 2.9Å; R329-A331 VanDerWaalsContact O-N 3.16Å; R329-F332 HydrophobicContact CB-CD2 4.46Å; R329-F332 HydrophobicContact CB-CE2 4.49Å; R329-F332 HydrophobicContact CG-CD2 3.94Å; R329-F332 HydrophobicContact CG-CE2 4.21Å; R329-F332 VanDerWaalsContact O-CB 3.29Å; R329-F332 WeakPolarHBondContact O-CB 3.41Å; R329-F332 WeakPolarHBondContact O-CG 3.26Å; R329-F332 PolarHBondContact O-N 2.91Å; R329-E336 HydrophobicContact CG-CG 4.32Å; R329-E336 IonicContact CZ-OE2 3.37Å; R329-E336 VanDerWaalsContact CZ-OE2 3.23Å; R329-E336 IonicContact NE-OE2 3.59Å; R329-E336 PolarHBondContact NE-OE2 2.87Å; R329-E336 IonicContact NH2-OE2 3.8Å; R329-E336 PolarHBondContact NH2-OE2 2.99Å; R329-E336 WeakPolarHBondContact O-CB 3.08Å
330	W	97.8	Very high	95.4	Very high	3 Å²	3	54 Å²	54	1%	0.011	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.9	175.5	-63.6	-11.1	0	0	0	113.5	P322 R326 V327 K328 F332 V337 D340 V342 G343 Q346 Y435 Y444 L447	P322-W330 HydrophobicContact CB-CH2 4.31Å; P322-W330 HydrophobicContact CB-CZ2 4.18Å; P322-W330 HydrophobicContact CG-CH2 3.85Å; P322-W330 HydrophobicContact CG-CZ2 4.22Å; R326-W330 VanDerWaalsContact O-CD1 3.3Å; R326-W330 PolarHBondContact O-NE1 2.73Å; V327-W330 HydrophobicContact CB-CE3 4.36Å; V327-W330 HydrophobicContact CB-CZ3 4.42Å; V327-W330 HydrophobicContact CG1-CE3 3.95Å; V327-W330 HydrophobicContact CG1-CZ3 4.08Å; V327-W330 HydrophobicContact CG2-CE3 4.42Å; V327-W330 HydrophobicContact CG2-CH2 4.01Å; V327-W330 HydrophobicContact CG2-CZ2 4.4Å; V327-W330 HydrophobicContact CG2-CZ3 4.02Å; V327-W330 VanDerWaalsContact O-CB 3.31Å; V327-W330 WeakPolarHBondContact O-CB 3.42Å; V327-W330 PolarHBondContact O-N 2.92Å; K328-W330 VanDerWaalsContact C-N 3.26Å; K328-W330 PolarHBondContact O-N 3.44Å; W330-F332 PolarHBondContact O-N 3.16Å; W330-V337 HydrophobicContact CB-CG2 3.7Å; W330-V337 HydrophobicContact CG-CG2 4.21Å; W330-V337 WeakPolarHBondContact O-CG2 3.48Å; W330-D340 VanDerWaalsContact NE1-CG 3.31Å; W330-D340 PolarHBondContact NE1-OD2 3.1Å; W330-V342 HydrophobicContact CH2-CG1 4.07Å; W330-V342 HydrophobicContact CZ2-CB 4.29Å; W330-V342 HydrophobicContact CZ2-CG1 4.31Å; W330-G343 VanDerWaalsContact CZ2-CA 3.48Å; W330-Q346 HydrophobicContact CH2-CG 4.3Å; W330-Q346 HydrophobicContact CZ3-CB 4.46Å; W330-Q346 HydrophobicContact CZ3-CG 4.36Å; W330-Y435 PolarHBondContact O-OH 2.62Å; W330-Y444 HydrophobicContact CB-CE2 4.24Å; W330-Y444 HydrophobicContact CE3-CD2 4.32Å; W330-Y444 HydrophobicContact CE3-CE2 4.11Å; W330-L447 HydrophobicContact CZ3-CD1 4.06Å
331	A	97.3	Very high	95.7	Very high	41 Å²	41	49 Å²	49	34%	0.339	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-75.9	-9.6	178.1	0	0	0	0	0	113.8	K328 R329 G333 Y435 I439	K328-A331 WeakPolarHBondContact O-CB 3.34Å; K328-A331 PolarHBondContact O-N 3.45Å; K328-A331 VanDerWaalsContact O-N 3.11Å; R329-A331 PolarHBondContact O-N 2.9Å; R329-A331 VanDerWaalsContact O-N 3.16Å; A331-G333 VanDerWaalsContact C-N 3.26Å; A331-G333 PolarHBondContact O-N 3.44Å; A331-Y435 WeakPolarHBondContact CA-OH 3.31Å; A331-Y435 PolarHBondContact O-OH 3Å; A331-I439 HydrophobicContact CB-CD1 4.29Å; A331-I439 HydrophobicContact CB-CG2 3.97Å
332	F	97.4	Very high	95.9	Very high	48 Å²	48	42.6 Å²	42.6	21%	0.211	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-71.5	-24.4	179.8	-62.7	-9.8	0	0	0	112.4	Q289 Y290 Y293 R329 W330 E336	Q289-F332 HydrophobicContact CG-CD1 3.85Å; Q289-F332 HydrophobicContact CG-CD2 3.72Å; Q289-F332 HydrophobicContact CG-CE1 3.81Å; Q289-F332 HydrophobicContact CG-CE2 3.66Å; Q289-F332 HydrophobicContact CG-CG 3.79Å; Q289-F332 HydrophobicContact CG-CZ 3.69Å; Q289-F332 VanDerWaalsContact NE2-CG 3.32Å; Q289-F332 VanDerWaalsContact O-CE2 3.29Å; Q289-F332 WeakPolarHBondContact O-CE2 3.43Å; Q289-F332 WeakPolarHBondContact O-CZ 3.26Å; Y290-F332 HydrophobicContact CD1-CD2 4.28Å; Y290-F332 HydrophobicContact CD1-CE2 4.31Å; Y290-F332 HydrophobicContact CD2-CD2 4.46Å; Y290-F332 AromaticContact CE1-CD2 3.75Å; Y290-F332 HydrophobicContact CE1-CD2 3.75Å; Y290-F332 HydrophobicContact CE1-CE2 4.21Å; Y290-F332 AromaticContact CE2-CD2 3.95Å; Y290-F332 HydrophobicContact CE2-CD2 3.95Å; Y290-F332 AromaticContact CZ-CD2 3.57Å; Y293-F332 HydrophobicContact CD2-CE2 4.09Å; Y293-F332 HydrophobicContact CD2-CZ 4.49Å; Y293-F332 AromaticContact CE2-CE2 3.5Å; Y293-F332 HydrophobicContact CE2-CE2 3.5Å; Y293-F332 AromaticContact CE2-CZ 3.56Å; Y293-F332 HydrophobicContact CE2-CZ 3.56Å; R329-F332 HydrophobicContact CB-CD2 4.46Å; R329-F332 HydrophobicContact CB-CE2 4.49Å; R329-F332 HydrophobicContact CG-CD2 3.94Å; R329-F332 HydrophobicContact CG-CE2 4.21Å; R329-F332 VanDerWaalsContact O-CB 3.29Å; R329-F332 WeakPolarHBondContact O-CB 3.41Å; R329-F332 WeakPolarHBondContact O-CG 3.26Å; R329-F332 PolarHBondContact O-N 2.91Å; W330-F332 PolarHBondContact O-N 3.16Å; F332-E336 HydrophobicContact CB-CG 4.22Å
333	G	97.3	Very high	96.2	Very high	17 Å²	17	41.2 Å²	41.2	18%	0.175	21%	0.211	C	C	.	.			trans	170.2	160.6	173.8	0	0	0	0	0	112	A331 D335 E336 Y435	A331-G333 VanDerWaalsContact C-N 3.26Å; A331-G333 PolarHBondContact O-N 3.44Å; G333-D335 PolarHBondContact O-N 3.49Å; G333-D335 VanDerWaalsContact O-N 3.09Å; G333-E336 PolarHBondContact O-N 2.72Å; G333-Y435 VanDerWaalsContact C-CZ 3.41Å; G333-Y435 VanDerWaalsContact CA-OH 3.23Å; G333-Y435 WeakPolarHBondContact CA-OH 3.47Å; G333-Y435 PolarHBondContact N-OH 3.41Å; G333-Y435 VanDerWaalsContact N-OH 3.12Å
334	I	97.9	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.4	-31.7	177.1	-167.8	174.5	0	0	0	112.1	E336 V337 L338 F347 Y427 M430 K431 Y435	I334-E336 VanDerWaalsContact C-N 3.29Å; I334-E336 PolarHBondContact O-N 3.27Å; I334-V337 WeakPolarHBondContact O-CB 3.48Å; I334-V337 PolarHBondContact O-N 3.25Å; I334-L338 HydrophobicContact CD1-CD1 4.19Å; I334-L338 HydrophobicContact CG1-CD1 3.86Å; I334-L338 HydrophobicContact CG1-CG 4.03Å; I334-L338 WeakPolarHBondContact O-CB 3.39Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 3.12Å; I334-F347 HydrophobicContact CD1-CE1 4.36Å; I334-Y427 HydrophobicContact CG2-CE2 3.82Å; I334-Y427 WeakPolarHBondContact CG2-OH 3.43Å; I334-M430 HydrophobicContact CD1-CB 3.77Å; I334-K431 HydrophobicContact CD1-CB 4.3Å; I334-K431 HydrophobicContact CG2-CB 4.02Å; I334-K431 HydrophobicContact CG2-CD 3.95Å; I334-K431 HydrophobicContact CG2-CG 3.82Å; I334-Y435 HydrophobicContact CB-CD1 4.17Å; I334-Y435 HydrophobicContact CB-CD2 3.81Å; I334-Y435 HydrophobicContact CB-CE2 4.28Å; I334-Y435 HydrophobicContact CB-CG 3.75Å; I334-Y435 HydrophobicContact CG1-CD2 4.04Å; I334-Y435 HydrophobicContact CG1-CG 4.1Å
335	D	97.9	Very high	96.9	Very high	63 Å²	63	44.6 Å²	44.6	34%	0.337	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-34.3	178.3	-59.3	-57.4	0	0	0	112.5	G333 L338 K339 Y427	G333-D335 PolarHBondContact O-N 3.49Å; G333-D335 VanDerWaalsContact O-N 3.09Å; D335-L338 PolarHBondContact O-N 3.18Å; D335-K339 WeakPolarHBondContact O-CB 3.24Å; D335-K339 WeakPolarHBondContact O-CD 3.27Å; D335-K339 WeakPolarHBondContact O-CG 3.42Å; D335-K339 PolarHBondContact O-N 3.13Å; D335-Y427 WeakPolarHBondContact OD1-CE2 3.35Å; D335-Y427 PolarHBondContact OD1-OH 3.38Å; D335-Y427 PolarHBondContact OD2-OH 3.22Å
336	E	98.1	Very high	97.2	Very high	10 Å²	10	42 Å²	42	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-38.6	176.9	-64.7	-54.8	116.5	0	0	111.3	Y290 R329 F332 G333 I334 K339 D340	Y290-E336 VanDerWaalsContact OH-CG 3.23Å; Y290-E336 WeakPolarHBondContact OH-CG 3.43Å; Y290-E336 PolarHBondContact OH-OE1 3.39Å; R329-E336 HydrophobicContact CG-CG 4.32Å; R329-E336 IonicContact CZ-OE2 3.37Å; R329-E336 VanDerWaalsContact CZ-OE2 3.23Å; R329-E336 IonicContact NE-OE2 3.59Å; R329-E336 PolarHBondContact NE-OE2 2.87Å; R329-E336 IonicContact NH2-OE2 3.8Å; R329-E336 PolarHBondContact NH2-OE2 2.99Å; R329-E336 WeakPolarHBondContact O-CB 3.08Å; F332-E336 HydrophobicContact CB-CG 4.22Å; G333-E336 PolarHBondContact O-N 2.72Å; I334-E336 VanDerWaalsContact C-N 3.29Å; I334-E336 PolarHBondContact O-N 3.27Å; E336-K339 IonicContact OE1-NZ 3.62Å; E336-K339 PolarHBondContact OE1-NZ 3.36Å; E336-D340 WeakPolarHBondContact O-CB 3.49Å; E336-D340 PolarHBondContact O-N 3.23Å
337	V	97.6	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-45.9	171.7	177.7	0	0	0	0	111	W330 I334 D340 G343 R344 F347 Y435 F438	W330-V337 HydrophobicContact CB-CG2 3.7Å; W330-V337 HydrophobicContact CG-CG2 4.21Å; W330-V337 WeakPolarHBondContact O-CG2 3.48Å; I334-V337 WeakPolarHBondContact O-CB 3.48Å; I334-V337 PolarHBondContact O-N 3.25Å; V337-D340 PolarHBondContact O-N 3.48Å; V337-D340 VanDerWaalsContact O-O 3.08Å; V337-G343 WeakPolarHBondContact CG1-O 3.29Å; V337-G343 CarbonylContact O-C 3.39Å; V337-R344 WeakPolarHBondContact O-CG 3.47Å; V337-R344 PolarHBondContact O-N 3.43Å; V337-F347 HydrophobicContact CG1-CB 3.62Å; V337-F347 HydrophobicContact CG1-CD1 4.09Å; V337-F347 HydrophobicContact CG1-CG 4Å; V337-Y435 HydrophobicContact CG2-CD2 4.13Å; V337-Y435 HydrophobicContact CG2-CE2 3.72Å; V337-F438 HydrophobicContact CG1-CE1 4.37Å; V337-F438 HydrophobicContact CG2-CE1 4.14Å
338	L	97.6	Very high	97.4	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-73	-27.4	-175	-67.8	176.9	0	0	0	113.3	I334 D335 R344 F347 L360 W363 Y427	I334-L338 HydrophobicContact CD1-CD1 4.19Å; I334-L338 HydrophobicContact CG1-CD1 3.86Å; I334-L338 HydrophobicContact CG1-CG 4.03Å; I334-L338 WeakPolarHBondContact O-CB 3.39Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 3.12Å; D335-L338 PolarHBondContact O-N 3.18Å; L338-R344 HydrophobicContact CD2-CG 4.37Å; L338-R344 WeakPolarHBondContact O-CD 3.49Å; L338-R344 WeakPolarHBondContact O-CG 3.23Å; L338-R344 PolarHBondContact O-NE 2.84Å; L338-F347 HydrophobicContact CD2-CD1 4.46Å; L338-L360 HydrophobicContact CD2-CD1 3.49Å; L338-L360 VanDerWaalsContact CD2-CD1 3.49Å; L338-W363 HydrophobicContact CB-CH2 4.13Å; L338-W363 HydrophobicContact CB-CZ3 4.25Å; L338-W363 HydrophobicContact CD1-CE3 4.38Å; L338-W363 HydrophobicContact CD1-CH2 3.8Å; L338-W363 HydrophobicContact CD1-CZ2 3.95Å; L338-W363 HydrophobicContact CD1-CZ3 4.02Å; L338-W363 HydrophobicContact CD2-CE3 4.33Å; L338-W363 HydrophobicContact CD2-CZ3 4.09Å; L338-W363 HydrophobicContact CG-CH2 4.41Å; L338-W363 HydrophobicContact CG-CZ3 4.35Å; L338-Y427 HydrophobicContact CD1-CD2 4.16Å; L338-Y427 HydrophobicContact CD1-CE2 3.96Å
339	K	96.9	Very high	97.5	Very high	132 Å²	132	42.2 Å²	42.2	57%	0.574	21%	0.208	S	C	*	.	H	α-helix	trans	-73.4	-37	173.1	-72.9	167.3	-162.8	166.1	0	111.8	D335 E336 P341	D335-K339 WeakPolarHBondContact O-CB 3.24Å; D335-K339 WeakPolarHBondContact O-CD 3.27Å; D335-K339 WeakPolarHBondContact O-CG 3.42Å; D335-K339 PolarHBondContact O-N 3.13Å; E336-K339 IonicContact OE1-NZ 3.62Å; E336-K339 PolarHBondContact OE1-NZ 3.36Å; K339-P341 WeakPolarHBondContact O-CD 3.4Å
340	D	97.3	Very high	97.5	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.102	20%	0.196	C	C	.	.	S	Bend	trans	-76.9	122.8	-178.1	-168.3	-41.5	0	0	0	111.4	R326 W330 E336 V337 V342 G343 R344	R326-D340 WeakPolarHBondContact CG-OD2 3.14Å; R326-D340 IonicContact CZ-OD1 3.11Å; R326-D340 IonicContact CZ-OD2 2.64Å; R326-D340 IonicContact NE-OD1 3.71Å; R326-D340 IonicContact NE-OD2 3.49Å; R326-D340 PolarHBondContact NE-OD2 3.35Å; R326-D340 IonicContact NH2-OD1 3.79Å; R326-D340 PolarHBondContact NH2-OD1 2.93Å; R326-D340 IonicContact NH2-OD2 3.45Å; R326-D340 PolarHBondContact NH2-OD2 3.37Å; W330-D340 VanDerWaalsContact NE1-CG 3.31Å; W330-D340 PolarHBondContact NE1-OD2 3.1Å; E336-D340 WeakPolarHBondContact O-CB 3.49Å; E336-D340 PolarHBondContact O-N 3.23Å; V337-D340 PolarHBondContact O-N 3.48Å; V337-D340 VanDerWaalsContact O-O 3.08Å; D340-V342 VanDerWaalsContact C-N 3.34Å; D340-V342 PolarHBondContact O-N 2.99Å; D340-V342 PolarHBondContact OD1-N 3.27Å; D340-G343 PolarHBondContact O-N 3.41Å; D340-G343 PolarHBondContact OD1-N 2.66Å; D340-G343 VanDerWaalsContact OD1-N 3.12Å; D340-R344 WeakPolarHBondContact O-CB 3.38Å; D340-R344 WeakPolarHBondContact O-CG 3.49Å; D340-R344 PolarHBondContact O-N 3.29Å
341	P	96.4	Very high	97.5	Very high	79 Å²	79	38.6 Å²	38.6	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-58.2	-41.3	175.9	-23.6	33.9	0	0	0	114	K339 E345	K339-P341 WeakPolarHBondContact O-CD 3.4Å; P341-E345 PolarHBondContact O-N 3.28Å; P341-E345 VanDerWaalsContact O-N 3.15Å
342	V	97	Very high	97.5	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-74.5	-39.2	178.7	-177.8	0	0	0	0	109.7	P322 W330 D340 R344 E345 Q346	P322-V342 HydrophobicContact CG-CG1 3.94Å; W330-V342 HydrophobicContact CH2-CG1 4.07Å; W330-V342 HydrophobicContact CZ2-CB 4.29Å; W330-V342 HydrophobicContact CZ2-CG1 4.31Å; D340-V342 VanDerWaalsContact C-N 3.34Å; D340-V342 PolarHBondContact O-N 2.99Å; D340-V342 PolarHBondContact OD1-N 3.27Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.29Å; V342-E345 PolarHBondContact O-N 2.73Å; V342-Q346 HydrophobicContact CG1-CG 4.33Å; V342-Q346 WeakPolarHBondContact O-CG 3.44Å; V342-Q346 PolarHBondContact O-N 2.87Å
343	G	97.3	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.5	-47.3	173.6	0	0	0	0	0	112	W330 V337 D340 E345 Q346 F347	W330-G343 VanDerWaalsContact CZ2-CA 3.48Å; V337-G343 WeakPolarHBondContact CG1-O 3.29Å; V337-G343 CarbonylContact O-C 3.39Å; D340-G343 PolarHBondContact O-N 3.41Å; D340-G343 PolarHBondContact OD1-N 2.66Å; D340-G343 VanDerWaalsContact OD1-N 3.12Å; G343-E345 PolarHBondContact O-N 3.49Å; G343-Q346 PolarHBondContact O-N 3.39Å; G343-F347 WeakPolarHBondContact O-CB 3.36Å; G343-F347 PolarHBondContact O-N 3.43Å
344	R	97.9	Very high	97.2	Very high	88 Å²	88	44.5 Å²	44.5	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-58.3	-43.9	173.7	-78	-173.5	-72.1	166.9	4.3	113	V337 L338 D340 V342 F347 L348	V337-R344 WeakPolarHBondContact O-CG 3.47Å; V337-R344 PolarHBondContact O-N 3.43Å; L338-R344 HydrophobicContact CD2-CG 4.37Å; L338-R344 WeakPolarHBondContact O-CD 3.49Å; L338-R344 WeakPolarHBondContact O-CG 3.23Å; L338-R344 PolarHBondContact O-NE 2.84Å; D340-R344 WeakPolarHBondContact O-CB 3.38Å; D340-R344 WeakPolarHBondContact O-CG 3.49Å; D340-R344 PolarHBondContact O-N 3.29Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.29Å; R344-F347 PolarHBondContact O-N 3.25Å; R344-L348 VanDerWaalsContact O-CB 3.28Å; R344-L348 WeakPolarHBondContact O-CB 3.25Å; R344-L348 PolarHBondContact O-N 3.29Å
345	E	97.5	Very high	96.9	Very high	92 Å²	92	53.2 Å²	53.2	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-45.4	179.4	-171.9	-173.2	159.2	0	0	111.3	P341 V342 G343 L348 K349	P341-E345 PolarHBondContact O-N 3.28Å; P341-E345 VanDerWaalsContact O-N 3.15Å; V342-E345 PolarHBondContact O-N 2.73Å; G343-E345 PolarHBondContact O-N 3.49Å; E345-L348 PolarHBondContact O-N 3.06Å; E345-K349 HydrophobicContact CG-CD 4.5Å; E345-K349 WeakPolarHBondContact O-CG 3.42Å; E345-K349 PolarHBondContact O-N 3.21Å; E345-K349 VanDerWaalsContact OE1-CE 3.27Å; E345-K349 WeakPolarHBondContact OE1-CE 3.47Å; E345-K349 IonicContact OE1-NZ 2.81Å; E345-K349 PolarHBondContact OE1-NZ 3.18Å
346	Q	97.5	Very high	96.8	Very high	46 Å²	46	51 Å²	51	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-39.3	178.5	-63.1	-58.1	-34.4	0	0	111.8	W330 V342 G343 K349 F350 F438 L447	W330-Q346 HydrophobicContact CH2-CG 4.3Å; W330-Q346 HydrophobicContact CZ3-CB 4.46Å; W330-Q346 HydrophobicContact CZ3-CG 4.36Å; V342-Q346 HydrophobicContact CG1-CG 4.33Å; V342-Q346 WeakPolarHBondContact O-CG 3.44Å; V342-Q346 PolarHBondContact O-N 2.87Å; G343-Q346 PolarHBondContact O-N 3.39Å; Q346-K349 PolarHBondContact O-N 3.36Å; Q346-F350 PolarHBondContact O-N 3.01Å; Q346-F438 HydrophobicContact CB-CE2 4.41Å; Q346-F438 HydrophobicContact CB-CZ 4.23Å; Q346-L447 HydrophobicContact CB-CD1 4.18Å; Q346-L447 HydrophobicContact CG-CD1 3.78Å
347	F	98.2	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-42	175.4	-173.8	-138.4	0	0	0	111.6	I334 V337 L338 G343 R344 F350 L351 L360 M430 F438	I334-F347 HydrophobicContact CD1-CE1 4.36Å; V337-F347 HydrophobicContact CG1-CB 3.62Å; V337-F347 HydrophobicContact CG1-CD1 4.09Å; V337-F347 HydrophobicContact CG1-CG 4Å; L338-F347 HydrophobicContact CD2-CD1 4.46Å; G343-F347 WeakPolarHBondContact O-CB 3.36Å; G343-F347 PolarHBondContact O-N 3.43Å; R344-F347 PolarHBondContact O-N 3.25Å; F347-F350 HydrophobicContact CD2-CD1 4.28Å; F347-F350 HydrophobicContact CE2-CD1 4.33Å; F347-F350 WeakPolarHBondContact O-CB 3.35Å; F347-F350 PolarHBondContact O-N 2.75Å; F347-L351 HydrophobicContact CD1-CD1 4.37Å; F347-L351 HydrophobicContact CD2-CG 4.33Å; F347-L351 HydrophobicContact CE1-CD1 4.07Å; F347-L351 HydrophobicContact CE2-CD1 4.27Å; F347-L351 HydrophobicContact CE2-CD2 3.96Å; F347-L351 HydrophobicContact CE2-CG 4.11Å; F347-L351 HydrophobicContact CZ-CD1 4.03Å; F347-L351 HydrophobicContact CZ-CD2 4.18Å; F347-L351 HydrophobicContact CZ-CG 4.34Å; F347-L351 WeakPolarHBondContact O-CG 3.39Å; F347-L351 PolarHBondContact O-N 3.02Å; F347-L360 HydrophobicContact CD1-CD1 4.44Å; F347-L360 HydrophobicContact CD1-CD2 3.76Å; F347-L360 HydrophobicContact CE1-CD2 4.33Å; F347-L360 HydrophobicContact CG-CD2 4.41Å; F347-M430 HydrophobicContact CE1-SD 4.48Å; F347-F438 HydrophobicContact CB-CE1 4.41Å; F347-F438 HydrophobicContact CB-CZ 4.37Å; F347-F438 HydrophobicContact CD2-CB 3.68Å; F347-F438 AromaticContact CD2-CD1 3.86Å; F347-F438 HydrophobicContact CD2-CD1 3.86Å; F347-F438 AromaticContact CD2-CD2 3.97Å; F347-F438 HydrophobicContact CD2-CD2 3.97Å; F347-F438 HydrophobicContact CD2-CE1 4.49Å; F347-F438 AromaticContact CD2-CG 3.56Å; F347-F438 HydrophobicContact CD2-CG 3.56Å; F347-F438 HydrophobicContact CE2-CB 3.72Å; F347-F438 HydrophobicContact CE2-CD1 4.5Å; F347-F438 HydrophobicContact CE2-CG 4.12Å; F347-F438 HydrophobicContact CG-CD1 4.49Å
348	L	98.1	Very high	96.7	Very high	41 Å²	41	53.1 Å²	53.1	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-47.1	175.1	-178.1	62.7	0	0	0	111.8	R344 E345 F350 L351 E352 L360 R361	R344-L348 VanDerWaalsContact O-CB 3.28Å; R344-L348 WeakPolarHBondContact O-CB 3.25Å; R344-L348 PolarHBondContact O-N 3.29Å; E345-L348 PolarHBondContact O-N 3.06Å; L348-F350 VanDerWaalsContact C-N 3.27Å; L348-F350 PolarHBondContact O-N 2.86Å; L348-L351 PolarHBondContact O-N 2.84Å; L348-L351 VanDerWaalsContact O-N 3.11Å; L348-E352 HydrophobicContact CD1-CG 4.43Å; L348-E352 HydrophobicContact CG-CG 4.47Å; L348-E352 WeakPolarHBondContact O-CG 3.47Å; L348-E352 PolarHBondContact O-N 2.98Å; L348-L360 HydrophobicContact CB-CD2 3.82Å; L348-L360 HydrophobicContact CD1-CD2 4.06Å; L348-L360 HydrophobicContact CD1-CG 4.49Å; L348-R361 HydrophobicContact CD1-CG 4.14Å
349	K	97.4	Very high	96.6	Very high	94 Å²	94	53.2 Å²	53.2	41%	0.409	26%	0.26	S	S	.	.	H	α-helix	trans	-57.2	-41.2	176.2	-75.5	174.2	-176.1	168.4	0	112.1	E345 Q346 E352 S353	E345-K349 HydrophobicContact CG-CD 4.5Å; E345-K349 WeakPolarHBondContact O-CG 3.42Å; E345-K349 PolarHBondContact O-N 3.21Å; E345-K349 VanDerWaalsContact OE1-CE 3.27Å; E345-K349 WeakPolarHBondContact OE1-CE 3.47Å; E345-K349 IonicContact OE1-NZ 2.81Å; E345-K349 PolarHBondContact OE1-NZ 3.18Å; Q346-K349 PolarHBondContact O-N 3.36Å; K349-E352 PolarHBondContact O-N 2.99Å; K349-S353 PolarHBondContact O-N 3.34Å; K349-S353 VanDerWaalsContact O-N 3.09Å
350	F	97.8	Very high	96.7	Very high	18 Å²	18	46.9 Å²	46.9	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-48.4	174.4	169.7	-100.3	0	0	0	111.5	Q346 F347 L348 E352 S353 E354 R437 F438	Q346-F350 PolarHBondContact O-N 3.01Å; F347-F350 HydrophobicContact CD2-CD1 4.28Å; F347-F350 HydrophobicContact CE2-CD1 4.33Å; F347-F350 WeakPolarHBondContact O-CB 3.35Å; F347-F350 PolarHBondContact O-N 2.75Å; L348-F350 VanDerWaalsContact C-N 3.27Å; L348-F350 PolarHBondContact O-N 2.86Å; F350-E352 VanDerWaalsContact C-N 3.31Å; F350-E352 PolarHBondContact O-N 3.44Å; F350-S353 WeakPolarHBondContact O-CB 3.4Å; F350-S353 PolarHBondContact O-N 2.53Å; F350-S353 VanDerWaalsContact O-N 3.15Å; F350-S353 PolarHBondContact O-OG 3.05Å; F350-E354 HydrophobicContact CE2-CG 4.36Å; F350-E354 HydrophobicContact CZ-CG 4.26Å; F350-E354 WeakPolarHBondContact CZ-OE1 3.24Å; F350-E354 WeakPolarHBondContact CZ-OE2 3.46Å; F350-E354 PolarHBondContact O-N 3.46Å; F350-R437 HydrophobicContact CE1-CB 4.33Å; F350-R437 HydrophobicContact CZ-CB 3.96Å; F350-F438 HydrophobicContact CB-CD2 3.71Å; F350-F438 HydrophobicContact CB-CE2 4.19Å; F350-F438 HydrophobicContact CD1-CB 3.72Å; F350-F438 AromaticContact CD1-CD2 3.94Å; F350-F438 HydrophobicContact CD1-CD2 3.94Å; F350-F438 HydrophobicContact CD1-CG 4.28Å; F350-F438 HydrophobicContact CD2-CD2 4.36Å; F350-F438 HydrophobicContact CE1-CB 3.82Å; F350-F438 HydrophobicContact CG-CB 4.3Å; F350-F438 AromaticContact CG-CD2 3.73Å; F350-F438 HydrophobicContact CG-CD2 3.73Å; F350-F438 HydrophobicContact CG-CG 4.5Å; F350-F438 HydrophobicContact CZ-CB 4.46Å
351	L	97.1	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-34.7	178.5	-62.4	175.6	0	0	0	113	F347 L348 S353 E354 F355 S356 L360	F347-L351 HydrophobicContact CD1-CD1 4.37Å; F347-L351 HydrophobicContact CD2-CG 4.33Å; F347-L351 HydrophobicContact CE1-CD1 4.07Å; F347-L351 HydrophobicContact CE2-CD1 4.27Å; F347-L351 HydrophobicContact CE2-CD2 3.96Å; F347-L351 HydrophobicContact CE2-CG 4.11Å; F347-L351 HydrophobicContact CZ-CD1 4.03Å; F347-L351 HydrophobicContact CZ-CD2 4.18Å; F347-L351 HydrophobicContact CZ-CG 4.34Å; F347-L351 WeakPolarHBondContact O-CG 3.39Å; F347-L351 PolarHBondContact O-N 3.02Å; L348-L351 PolarHBondContact O-N 2.84Å; L348-L351 VanDerWaalsContact O-N 3.11Å; L351-S353 VanDerWaalsContact C-N 3.33Å; L351-E354 CarbonylContact O-C 3.55Å; L351-E354 PolarHBondContact O-N 2.9Å; L351-F355 PolarHBondContact O-N 3.43Å; L351-S356 PolarHBondContact O-N 3.42Å; L351-S356 PolarHBondContact O-OG 3.28Å; L351-L360 HydrophobicContact CD1-CB 3.55Å; L351-L360 HydrophobicContact CD1-CD2 3.88Å; L351-L360 HydrophobicContact CD1-CG 4.36Å
352	E	96.8	Very high	96.8	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-39.5	174	-73.9	175	166.9	0	0	111.5	L348 K349 F350 E354 F355 R361	L348-E352 HydrophobicContact CD1-CG 4.43Å; L348-E352 HydrophobicContact CG-CG 4.47Å; L348-E352 WeakPolarHBondContact O-CG 3.47Å; L348-E352 PolarHBondContact O-N 2.98Å; K349-E352 PolarHBondContact O-N 2.99Å; F350-E352 VanDerWaalsContact C-N 3.31Å; F350-E352 PolarHBondContact O-N 3.44Å; E352-E354 PolarHBondContact O-N 2.98Å; E352-F355 PolarHBondContact O-N 3.25Å; E352-F355 VanDerWaalsContact O-N 3.15Å; E352-R361 IonicContact OE1-CZ 3.82Å; E352-R361 IonicContact OE1-NE 3.91Å; E352-R361 IonicContact OE1-NH2 2.93Å; E352-R361 PolarHBondContact OE1-NH2 3.27Å
353	S	95.3	Very high	96.9	Very high	83 Å²	83	47.6 Å²	47.6	58%	0.58	22%	0.223	S	C	*	.	H	α-helix	trans	-65.6	-22.8	175.3	77.5	0	0	0	0	113.6	K349 F350 L351	K349-S353 PolarHBondContact O-N 3.34Å; K349-S353 VanDerWaalsContact O-N 3.09Å; F350-S353 WeakPolarHBondContact O-CB 3.4Å; F350-S353 PolarHBondContact O-N 2.53Å; F350-S353 VanDerWaalsContact O-N 3.15Å; F350-S353 PolarHBondContact O-OG 3.05Å; L351-S353 VanDerWaalsContact C-N 3.33Å
354	E	94.5	Very high	96.9	Very high	68 Å²	68	49.8 Å²	49.8	32%	0.318	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	9.9	176.3	-62.9	-169.3	148.5	0	0	113.2	F350 L351 E352 S356 R437	F350-E354 HydrophobicContact CE2-CG 4.36Å; F350-E354 HydrophobicContact CZ-CG 4.26Å; F350-E354 WeakPolarHBondContact CZ-OE1 3.24Å; F350-E354 WeakPolarHBondContact CZ-OE2 3.46Å; F350-E354 PolarHBondContact O-N 3.46Å; L351-E354 CarbonylContact O-C 3.55Å; L351-E354 PolarHBondContact O-N 2.9Å; E352-E354 PolarHBondContact O-N 2.98Å; E354-S356 VanDerWaalsContact C-N 3.27Å; E354-S356 PolarHBondContact O-N 3.12Å; E354-R437 IonicContact OE1-NH1 2.65Å; E354-R437 PolarHBondContact OE1-NH1 2.82Å; E354-R437 VanDerWaalsContact OE1-NH1 3.11Å; E354-R437 IonicContact OE2-CZ 3.26Å; E354-R437 IonicContact OE2-NH1 3.82Å; E354-R437 PolarHBondContact OE2-NH1 2.82Å; E354-R437 IonicContact OE2-NH2 2.95Å
355	F	91.2	Very high	96.9	Very high	183 Å²	183	45.9 Å²	45.9	80%	0.803	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	40	-178.6	-54.1	-86.8	0	0	0	114.1	L351 E352	L351-F355 PolarHBondContact O-N 3.43Å; E352-F355 PolarHBondContact O-N 3.25Å; E352-F355 VanDerWaalsContact O-N 3.15Å
356	S	94.4	Very high	96.9	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	20%	0.201	C	C	.	.			trans	-132.2	21.6	-178.2	60.4	0	0	0	0	114	L351 E354 E358	L351-S356 PolarHBondContact O-N 3.42Å; L351-S356 PolarHBondContact O-OG 3.28Å; E354-S356 VanDerWaalsContact C-N 3.27Å; E354-S356 PolarHBondContact O-N 3.12Å; S356-E358 VanDerWaalsContact C-N 3.31Å; S356-E358 VanDerWaalsContact CA-OE2 3.23Å; S356-E358 WeakPolarHBondContact CA-OE2 3.44Å; S356-E358 PolarHBondContact O-N 3.32Å
357	S	96.6	Very high	96.9	Very high	11 Å²	11	41.9 Å²	41.9	8%	0.077	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-20.8	-175.4	67	0	0	0	0	114.9	N359 L360 R361	S357-N359 PolarHBondContact O-N 2.77Å; S357-L360 PolarHBondContact O-N 2.98Å; S357-R361 WeakPolarHBondContact O-CG 3.45Å; S357-R361 PolarHBondContact O-N 3.35Å; S357-R361 PolarHBondContact OG-NH2 3.39Å
358	E	97.3	Very high	96.9	Very high	44 Å²	44	45.3 Å²	45.3	21%	0.206	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-35.5	-179	66	-71.9	166	0	0	112.5	S356 R361 F362 I397	S356-E358 VanDerWaalsContact C-N 3.31Å; S356-E358 VanDerWaalsContact CA-OE2 3.23Å; S356-E358 WeakPolarHBondContact CA-OE2 3.44Å; S356-E358 PolarHBondContact O-N 3.32Å; E358-R361 PolarHBondContact O-N 3.39Å; E358-F362 VanDerWaalsContact O-CB 3.32Å; E358-F362 WeakPolarHBondContact O-CB 3.38Å; E358-F362 PolarHBondContact O-N 3.46Å; E358-I397 HydrophobicContact CB-CG2 4.09Å; E358-I397 HydrophobicContact CG-CG2 3.88Å
359	N	96.6	Very high	96.9	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-47.4	178.6	-67.1	-40	0	0	0	112.1	S357 W363 I426 M430	S357-N359 PolarHBondContact O-N 2.77Å; N359-W363 WeakPolarHBondContact O-CB 3.32Å; N359-W363 PolarHBondContact O-N 3.18Å; N359-I426 HydrophobicContact CB-CG2 3.83Å; N359-I426 VanDerWaalsContact O-CG2 3.32Å; N359-I426 WeakPolarHBondContact O-CG2 3.48Å; N359-M430 HydrophobicContact CB-CG 4.01Å; N359-M430 HydrophobicContact CB-SD 3.98Å
360	L	97.8	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.6	-39.7	179.2	-180	58.7	0	0	0	111.2	L338 F347 L348 L351 S357 W363 L364 M430	L338-L360 HydrophobicContact CD2-CD1 3.49Å; L338-L360 VanDerWaalsContact CD2-CD1 3.49Å; F347-L360 HydrophobicContact CD1-CD1 4.44Å; F347-L360 HydrophobicContact CD1-CD2 3.76Å; F347-L360 HydrophobicContact CE1-CD2 4.33Å; F347-L360 HydrophobicContact CG-CD2 4.41Å; L348-L360 HydrophobicContact CB-CD2 3.82Å; L348-L360 HydrophobicContact CD1-CD2 4.06Å; L348-L360 HydrophobicContact CD1-CG 4.49Å; L351-L360 HydrophobicContact CD1-CB 3.55Å; L351-L360 HydrophobicContact CD1-CD2 3.88Å; L351-L360 HydrophobicContact CD1-CG 4.36Å; S357-L360 PolarHBondContact O-N 2.98Å; L360-W363 HydrophobicContact CD1-CE3 4.46Å; L360-W363 PolarHBondContact O-N 2.86Å; L360-L364 HydrophobicContact CD1-CD1 4.13Å; L360-L364 HydrophobicContact CD1-CG 4.07Å; L360-L364 HydrophobicContact CG-CD1 3.95Å; L360-L364 HydrophobicContact CG-CG 4.35Å; L360-L364 WeakPolarHBondContact O-CB 3.44Å; L360-L364 VanDerWaalsContact O-CG 3.25Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.39Å; L360-M430 HydrophobicContact CB-SD 3.93Å; L360-M430 HydrophobicContact CD1-CE 4.49Å; L360-M430 HydrophobicContact CD1-SD 4.3Å
361	R	98.3	Very high	96.9	Very high	92 Å²	92	48.1 Å²	48.1	35%	0.347	23%	0.229	S	C	.	.	H	α-helix	trans	-61	-46.8	176.7	-69.8	177.8	-172.3	163.5	3.5	111.4	L348 E352 S357 E358 L364 A365 F388	L348-R361 HydrophobicContact CD1-CG 4.14Å; E352-R361 IonicContact OE1-CZ 3.82Å; E352-R361 IonicContact OE1-NE 3.91Å; E352-R361 IonicContact OE1-NH2 2.93Å; E352-R361 PolarHBondContact OE1-NH2 3.27Å; S357-R361 WeakPolarHBondContact O-CG 3.45Å; S357-R361 PolarHBondContact O-N 3.35Å; S357-R361 PolarHBondContact OG-NH2 3.39Å; E358-R361 PolarHBondContact O-N 3.39Å; R361-L364 PolarHBondContact O-N 2.64Å; R361-A365 WeakPolarHBondContact O-CB 3.31Å; R361-A365 PolarHBondContact O-N 3.2Å; R361-F388 HydrophobicContact CB-CE1 3.94Å; R361-F388 HydrophobicContact CB-CZ 3.95Å
362	F	98.4	Very high	96.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-50	173.3	171.1	-105.4	0	0	0	111.4	E358 L364 A365 V366 I384 F388 L389 I397 F419 A422 I426	E358-F362 VanDerWaalsContact O-CB 3.32Å; E358-F362 WeakPolarHBondContact O-CB 3.38Å; E358-F362 PolarHBondContact O-N 3.46Å; F362-L364 VanDerWaalsContact C-N 3.3Å; F362-L364 PolarHBondContact O-N 3.19Å; F362-A365 PolarHBondContact O-N 3.03Å; F362-A365 VanDerWaalsContact O-N 3.15Å; F362-V366 HydrophobicContact CD2-CG2 4.16Å; F362-V366 HydrophobicContact CE1-CG2 4.13Å; F362-V366 HydrophobicContact CE2-CG2 3.72Å; F362-V366 HydrophobicContact CZ-CG2 3.71Å; F362-V366 WeakPolarHBondContact O-CG2 3.41Å; F362-V366 PolarHBondContact O-N 2.73Å; F362-I384 HydrophobicContact CD2-CG2 3.95Å; F362-I384 HydrophobicContact CE2-CG2 3.8Å; F362-F388 HydrophobicContact CB-CB 4.46Å; F362-F388 HydrophobicContact CB-CD1 3.71Å; F362-F388 HydrophobicContact CB-CD2 4.26Å; F362-F388 HydrophobicContact CB-CE1 3.96Å; F362-F388 HydrophobicContact CB-CE2 4.47Å; F362-F388 HydrophobicContact CB-CG 3.89Å; F362-F388 HydrophobicContact CB-CZ 4.35Å; F362-F388 HydrophobicContact CD2-CB 3.71Å; F362-F388 HydrophobicContact CD2-CD1 4.43Å; F362-F388 AromaticContact CD2-CD2 3.83Å; F362-F388 HydrophobicContact CD2-CD2 3.83Å; F362-F388 AromaticContact CD2-CG 3.73Å; F362-F388 HydrophobicContact CD2-CG 3.73Å; F362-F388 HydrophobicContact CE2-CB 4.42Å; F362-F388 HydrophobicContact CG-CB 4.43Å; F362-F388 HydrophobicContact CG-CG 4.27Å; F362-L389 HydrophobicContact CE2-CD1 4.08Å; F362-L389 HydrophobicContact CZ-CD1 4.36Å; F362-I397 HydrophobicContact CB-CD1 4.25Å; F362-I397 HydrophobicContact CB-CG2 3.98Å; F362-I397 HydrophobicContact CD1-CD1 3.5Å; F362-I397 HydrophobicContact CD2-CD1 3.74Å; F362-I397 HydrophobicContact CE1-CD1 3.62Å; F362-I397 HydrophobicContact CE2-CD1 3.87Å; F362-I397 HydrophobicContact CG-CD1 3.55Å; F362-I397 HydrophobicContact CG-CG2 4.45Å; F362-I397 HydrophobicContact CZ-CD1 3.8Å; F362-F419 HydrophobicContact CE2-CD1 4.1Å; F362-F419 HydrophobicContact CE2-CG 4.48Å; F362-F419 HydrophobicContact CZ-CB 4.18Å; F362-F419 HydrophobicContact CZ-CD1 4.2Å; F362-F419 HydrophobicContact CZ-CG 4.44Å; F362-A422 HydrophobicContact CE1-CB 4.18Å; F362-A422 HydrophobicContact CZ-CB 3.87Å; F362-I426 HydrophobicContact CD1-CB 4.24Å; F362-I426 HydrophobicContact CD1-CG1 3.91Å; F362-I426 HydrophobicContact CD1-CG2 4.28Å; F362-I426 HydrophobicContact CE1-CB 4.46Å; F362-I426 HydrophobicContact CE1-CG1 4Å
363	W	98.1	Very high	96.9	Very high	32 Å²	32	51.4 Å²	51.4	12%	0.121	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-43.1	-178.7	-175.5	92.4	0	0	0	111.9	L338 N359 L360 V366 Q367 Q423 Y427 M430	L338-W363 HydrophobicContact CB-CH2 4.13Å; L338-W363 HydrophobicContact CB-CZ3 4.25Å; L338-W363 HydrophobicContact CD1-CE3 4.38Å; L338-W363 HydrophobicContact CD1-CH2 3.8Å; L338-W363 HydrophobicContact CD1-CZ2 3.95Å; L338-W363 HydrophobicContact CD1-CZ3 4.02Å; L338-W363 HydrophobicContact CD2-CE3 4.33Å; L338-W363 HydrophobicContact CD2-CZ3 4.09Å; L338-W363 HydrophobicContact CG-CH2 4.41Å; L338-W363 HydrophobicContact CG-CZ3 4.35Å; N359-W363 WeakPolarHBondContact O-CB 3.32Å; N359-W363 PolarHBondContact O-N 3.18Å; L360-W363 HydrophobicContact CD1-CE3 4.46Å; L360-W363 PolarHBondContact O-N 2.86Å; W363-V366 PolarHBondContact O-N 2.9Å; W363-Q367 HydrophobicContact CD2-CG 4Å; W363-Q367 HydrophobicContact CE3-CG 3.81Å; W363-Q367 HydrophobicContact CH2-CG 3.57Å; W363-Q367 HydrophobicContact CZ2-CG 3.75Å; W363-Q367 HydrophobicContact CZ3-CG 3.6Å; W363-Q367 WeakPolarHBondContact O-CG 3.21Å; W363-Q367 PolarHBondContact O-N 2.94Å; W363-Q423 VanDerWaalsContact CD1-CG 3.44Å; W363-Q423 HydrophobicContact CG-CG 4.3Å; W363-Q423 PolarHBondContact O-NE2 3.48Å; W363-Y427 HydrophobicContact CZ2-CD2 4.39Å; W363-Y427 AromaticContact NE1-CD2 3.68Å; W363-M430 HydrophobicContact CB-CE 3.81Å; W363-M430 HydrophobicContact CG-CE 3.9Å
364	L	97.9	Very high	97	Very high	45 Å²	45	53.1 Å²	53.1	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-41.3	176	-70.7	171.4	0	0	0	112.1	L360 R361 F362 V366 Q367 E368	L360-L364 HydrophobicContact CD1-CD1 4.13Å; L360-L364 HydrophobicContact CD1-CG 4.07Å; L360-L364 HydrophobicContact CG-CD1 3.95Å; L360-L364 HydrophobicContact CG-CG 4.35Å; L360-L364 WeakPolarHBondContact O-CB 3.44Å; L360-L364 VanDerWaalsContact O-CG 3.25Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.39Å; R361-L364 PolarHBondContact O-N 2.64Å; F362-L364 VanDerWaalsContact C-N 3.3Å; F362-L364 PolarHBondContact O-N 3.19Å; L364-V366 VanDerWaalsContact C-N 3.32Å; L364-V366 PolarHBondContact O-N 3.39Å; L364-Q367 WeakPolarHBondContact O-CB 3.35Å; L364-Q367 PolarHBondContact O-N 2.79Å; L364-E368 WeakPolarHBondContact O-CB 3.49Å; L364-E368 PolarHBondContact O-N 2.93Å
365	A	98.2	Very high	97.1	Very high	7 Å²	7	59.4 Å²	59.4	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-39.8	176.6	0	0	0	0	0	111.8	R361 F362 E368 L369 I384 F388	R361-A365 WeakPolarHBondContact O-CB 3.31Å; R361-A365 PolarHBondContact O-N 3.2Å; F362-A365 PolarHBondContact O-N 3.03Å; F362-A365 VanDerWaalsContact O-N 3.15Å; A365-E368 WeakPolarHBondContact O-CB 3.31Å; A365-E368 PolarHBondContact O-N 2.9Å; A365-L369 WeakPolarHBondContact O-CB 3.13Å; A365-L369 PolarHBondContact O-N 3.22Å; A365-I384 HydrophobicContact CB-CD1 4.01Å; A365-I384 HydrophobicContact CB-CG1 4Å; A365-I384 WeakPolarHBondContact O-CD1 3.17Å; A365-F388 HydrophobicContact CB-CE2 4.18Å
366	V	98.2	Very high	97.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-69.8	-37.8	174.7	179.7	0	0	0	0	111.8	F362 W363 L364 E368 L369 K370 I384 F419 Q423	F362-V366 HydrophobicContact CD2-CG2 4.16Å; F362-V366 HydrophobicContact CE1-CG2 4.13Å; F362-V366 HydrophobicContact CE2-CG2 3.72Å; F362-V366 HydrophobicContact CZ-CG2 3.71Å; F362-V366 WeakPolarHBondContact O-CG2 3.41Å; F362-V366 PolarHBondContact O-N 2.73Å; W363-V366 PolarHBondContact O-N 2.9Å; L364-V366 VanDerWaalsContact C-N 3.32Å; L364-V366 PolarHBondContact O-N 3.39Å; V366-E368 VanDerWaalsContact C-N 3.28Å; V366-E368 PolarHBondContact O-N 3.19Å; V366-L369 WeakPolarHBondContact O-CB 3.38Å; V366-L369 PolarHBondContact O-N 3.16Å; V366-K370 WeakPolarHBondContact O-CG 3.45Å; V366-K370 PolarHBondContact O-N 3.24Å; V366-K370 VanDerWaalsContact O-N 3.15Å; V366-I384 HydrophobicContact CG2-CG2 4.34Å; V366-F419 HydrophobicContact CB-CB 4.5Å; V366-F419 HydrophobicContact CG1-CB 3.89Å; V366-F419 HydrophobicContact CG2-CB 3.69Å; V366-F419 HydrophobicContact CG2-CD2 4.13Å; V366-F419 HydrophobicContact CG2-CG 3.99Å; V366-Q423 HydrophobicContact CB-CG 4.33Å; V366-Q423 HydrophobicContact CG1-CB 4.08Å; V366-Q423 HydrophobicContact CG1-CG 4.14Å
367	Q	97.6	Very high	97.6	Very high	53 Å²	53	52.7 Å²	52.7	25%	0.248	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-38.5	172.4	-74.2	-61.2	-38.4	0	0	112.2	W363 L364 K371	W363-Q367 HydrophobicContact CD2-CG 4Å; W363-Q367 HydrophobicContact CE3-CG 3.81Å; W363-Q367 HydrophobicContact CH2-CG 3.57Å; W363-Q367 HydrophobicContact CZ2-CG 3.75Å; W363-Q367 HydrophobicContact CZ3-CG 3.6Å; W363-Q367 WeakPolarHBondContact O-CG 3.21Å; W363-Q367 PolarHBondContact O-N 2.94Å; L364-Q367 WeakPolarHBondContact O-CB 3.35Å; L364-Q367 PolarHBondContact O-N 2.79Å; Q367-K371 WeakPolarHBondContact O-CG 3.4Å
368	E	97.3	Very high	97.7	Very high	71 Å²	71	55 Å²	55	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-67.5	-45.8	175.7	-168.5	-162.6	176	0	0	111.4	L364 A365 V366 K370 K371 R372 R380	L364-E368 WeakPolarHBondContact O-CB 3.49Å; L364-E368 PolarHBondContact O-N 2.93Å; A365-E368 WeakPolarHBondContact O-CB 3.31Å; A365-E368 PolarHBondContact O-N 2.9Å; V366-E368 VanDerWaalsContact C-N 3.28Å; V366-E368 PolarHBondContact O-N 3.19Å; E368-K370 VanDerWaalsContact C-N 3.25Å; E368-K370 PolarHBondContact O-N 3.06Å; E368-K371 WeakPolarHBondContact O-CA 3.48Å; E368-K371 PolarHBondContact O-N 3.22Å; E368-R372 WeakPolarHBondContact O-CG 3.45Å; E368-R372 PolarHBondContact O-N 2.85Å; E368-R372 VanDerWaalsContact O-N 3.13Å; E368-R372 IonicContact OE1-CZ 3.75Å; E368-R372 IonicContact OE1-NE 2.84Å; E368-R372 PolarHBondContact OE1-NE 3.41Å; E368-R372 IonicContact OE1-NH2 3.96Å; E368-R372 PolarHBondContact OE1-NH2 3.25Å; E368-R380 IonicContact OE2-CZ 3.55Å; E368-R380 IonicContact OE2-NE 2.77Å; E368-R380 IonicContact OE2-NH2 3.83Å; E368-R380 PolarHBondContact OE2-NH2 3.26Å
369	L	98.2	Very high	97.7	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-51	-45.8	175.7	174.1	69.6	0	0	0	111.7	A365 V366 K371 R372 V377 R380 V381 I384 F419	A365-L369 WeakPolarHBondContact O-CB 3.13Å; A365-L369 PolarHBondContact O-N 3.22Å; V366-L369 WeakPolarHBondContact O-CB 3.38Å; V366-L369 PolarHBondContact O-N 3.16Å; L369-K371 PolarHBondContact O-N 3.42Å; L369-K371 VanDerWaalsContact O-N 3.13Å; L369-R372 PolarHBondContact O-N 2.67Å; L369-V377 HydrophobicContact CD1-CB 4.36Å; L369-V377 HydrophobicContact CD1-CG1 4.12Å; L369-V377 HydrophobicContact CD1-CG2 4.35Å; L369-R380 HydrophobicContact CB-CG 4.33Å; L369-R380 HydrophobicContact CD1-CB 3.71Å; L369-R380 HydrophobicContact CD1-CG 3.67Å; L369-V381 HydrophobicContact CD1-CG2 3.89Å; L369-V381 HydrophobicContact CD2-CG2 3.73Å; L369-V381 HydrophobicContact CG-CG2 4.44Å; L369-I384 HydrophobicContact CB-CD1 3.95Å; L369-I384 HydrophobicContact CD2-CD1 4.27Å; L369-F419 HydrophobicContact CD2-CD2 3.63Å; L369-F419 HydrophobicContact CD2-CE2 3.82Å
370	K	97.7	Very high	97.8	Very high	45 Å²	45	58.3 Å²	58.3	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-24.4	179	-73.4	174.2	174.7	-178	0	113.2	V366 E368 R416 E420	V366-K370 WeakPolarHBondContact O-CG 3.45Å; V366-K370 PolarHBondContact O-N 3.24Å; V366-K370 VanDerWaalsContact O-N 3.15Å; E368-K370 VanDerWaalsContact C-N 3.25Å; E368-K370 PolarHBondContact O-N 3.06Å; K370-R416 WeakPolarHBondContact CG-O 3.29Å; K370-R416 PolarHBondContact O-NH1 2.87Å; K370-E420 WeakPolarHBondContact CE-OE2 3.3Å; K370-E420 VanDerWaalsContact NZ-CD 3.27Å; K370-E420 IonicContact NZ-OE1 3.67Å; K370-E420 PolarHBondContact NZ-OE1 3.13Å; K370-E420 VanDerWaalsContact NZ-OE1 3.12Å; K370-E420 IonicContact NZ-OE2 3.93Å; K370-E420 PolarHBondContact NZ-OE2 2.64Å
371	K	97.3	Very high	97.8	Very high	167 Å²	167	58.3 Å²	58.3	73%	0.726	27%	0.272	S	S	*	.	H	α-helix	trans	-99.5	-10.5	-178.2	-61.8	173.9	-173.5	178.1	0	114	Q367 E368 L369	Q367-K371 WeakPolarHBondContact O-CG 3.4Å; E368-K371 WeakPolarHBondContact O-CA 3.48Å; E368-K371 PolarHBondContact O-N 3.22Å; L369-K371 PolarHBondContact O-N 3.42Å; L369-K371 VanDerWaalsContact O-N 3.13Å
372	R	96.6	Very high	97.8	Very high	87 Å²	87	57.6 Å²	57.6	33%	0.328	27%	0.272	S	S	.	.	S	Bend	trans	-67.1	153.7	-178.9	-74.5	-84.3	178.8	165.7	1.7	112.4	E368 L369 E376 R416	E368-R372 WeakPolarHBondContact O-CG 3.45Å; E368-R372 PolarHBondContact O-N 2.85Å; E368-R372 VanDerWaalsContact O-N 3.13Å; E368-R372 IonicContact OE1-CZ 3.75Å; E368-R372 IonicContact OE1-NE 2.84Å; E368-R372 PolarHBondContact OE1-NE 3.41Å; E368-R372 IonicContact OE1-NH2 3.96Å; E368-R372 PolarHBondContact OE1-NH2 3.25Å; L369-R372 PolarHBondContact O-N 2.67Å; R372-E376 HydrophobicContact CB-CB 4.46Å; R372-E376 VanDerWaalsContact CD-OE2 3.27Å; R372-E376 WeakPolarHBondContact CD-OE2 3.44Å; R372-E376 IonicContact CZ-OE2 2.73Å; R372-E376 IonicContact NE-OE2 3.95Å; R372-E376 IonicContact NH1-OE2 3.33Å; R372-E376 PolarHBondContact NH1-OE2 2.95Å; R372-R416 PolarHBondContact O-NH1 2.74Å; R372-R416 PolarHBondContact O-NH2 3.31Å
373	P	97.6	Very high	97.8	Very high	62 Å²	62	61.9 Å²	61.9	40%	0.403	29%	0.292	S	S	.	.			trans	-55.9	144.2	167.1	-25	35.8	0	0	0	111.6	R375 E376	P373-R375 HydrophobicContact CB-CG 4.21Å; P373-R375 PolarHBondContact O-N 2.99Å; P373-R375 VanDerWaalsContact O-N 3.09Å; P373-E376 PolarHBondContact O-N 3.36Å
374	I	97.5	Very high	97.8	Very high	118 Å²	118	60.3 Å²	60.3	61%	0.605	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58	-31.9	-172.7	-168.5	60.4	0	0	0	113.1	E376 V377 R416	I374-E376 VanDerWaalsContact C-N 3.27Å; I374-E376 PolarHBondContact O-N 2.95Å; I374-V377 HydrophobicContact CD1-CG2 4.24Å; I374-V377 WeakPolarHBondContact O-CB 3.42Å; I374-V377 PolarHBondContact O-N 2.97Å; I374-R416 HydrophobicContact CD1-CG 4.49Å
375	R	97.3	Very high	97.8	Very high	200 Å²	200	59.6 Å²	59.6	76%	0.755	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64.9	-25.3	177.1	70.1	-176.6	-177.2	174.4	0.1	114.3	P373	P373-R375 HydrophobicContact CB-CG 4.21Å; P373-R375 PolarHBondContact O-N 2.99Å; P373-R375 VanDerWaalsContact O-N 3.09Å
376	E	97.8	Very high	97.8	Very high	58 Å²	58	64.5 Å²	64.5	27%	0.271	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-92.1	-15.4	-179	-72.7	167.7	-139.7	0	0	112.2	R372 P373 I374 T379 R380	R372-E376 HydrophobicContact CB-CB 4.46Å; R372-E376 VanDerWaalsContact CD-OE2 3.27Å; R372-E376 WeakPolarHBondContact CD-OE2 3.44Å; R372-E376 IonicContact CZ-OE2 2.73Å; R372-E376 IonicContact NE-OE2 3.95Å; R372-E376 IonicContact NH1-OE2 3.33Å; R372-E376 PolarHBondContact NH1-OE2 2.95Å; P373-E376 PolarHBondContact O-N 3.36Å; I374-E376 VanDerWaalsContact C-N 3.27Å; I374-E376 PolarHBondContact O-N 2.95Å; E376-T379 PolarHBondContact O-N 3Å; E376-R380 WeakPolarHBondContact O-CB 3.5Å; E376-R380 PolarHBondContact O-N 2.96Å
377	V	98.1	Very high	97.8	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-57.7	-46.8	-176.7	168.6	0	0	0	0	112.2	L369 I374 T379 R380 V381 R416	L369-V377 HydrophobicContact CD1-CB 4.36Å; L369-V377 HydrophobicContact CD1-CG1 4.12Å; L369-V377 HydrophobicContact CD1-CG2 4.35Å; I374-V377 HydrophobicContact CD1-CG2 4.24Å; I374-V377 WeakPolarHBondContact O-CB 3.42Å; I374-V377 PolarHBondContact O-N 2.97Å; V377-T379 PolarHBondContact O-N 2.92Å; V377-R380 PolarHBondContact O-N 2.91Å; V377-V381 HydrophobicContact CG1-CG2 4.16Å; V377-V381 WeakPolarHBondContact O-CB 3.31Å; V377-V381 VanDerWaalsContact O-CG2 3.24Å; V377-V381 WeakPolarHBondContact O-CG2 3.11Å; V377-V381 PolarHBondContact O-N 2.69Å; V377-R416 HydrophobicContact CG1-CG 4.5Å; V377-R416 HydrophobicContact CG2-CG 4.04Å
378	P	97.9	Very high	97.8	Very high	58 Å²	58	65.3 Å²	65.3	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-46	-178	-25	35.7	0	0	0	113.4	V381 Q382 P414	P378-V381 PolarHBondContact O-N 2.92Å; P378-Q382 PolarHBondContact O-N 3.2Å; P378-P414 HydrophobicContact CB-CB 4.1Å; P378-P414 HydrophobicContact CB-CG 4.33Å
379	T	98	Very high	97.8	Very high	88 Å²	88	62.3 Å²	62.3	54%	0.54	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-47	177.8	-52.4	0	0	0	0	111	E376 V377 V381 Q382 E383	E376-T379 PolarHBondContact O-N 3Å; V377-T379 PolarHBondContact O-N 2.92Å; T379-V381 VanDerWaalsContact C-N 3.3Å; T379-V381 PolarHBondContact O-N 3.16Å; T379-Q382 PolarHBondContact O-N 3.5Å; T379-Q382 VanDerWaalsContact O-N 3.09Å; T379-E383 PolarHBondContact O-N 3.21Å
380	R	98.2	Very high	97.7	Very high	40 Å²	40	62.7 Å²	62.7	15%	0.151	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-33.8	-179.4	-173.9	56.8	172	160.7	1.3	112.7	E368 L369 E376 V377 Q382 E383 I384	E368-R380 IonicContact OE2-CZ 3.55Å; E368-R380 IonicContact OE2-NE 2.77Å; E368-R380 IonicContact OE2-NH2 3.83Å; E368-R380 PolarHBondContact OE2-NH2 3.26Å; L369-R380 HydrophobicContact CB-CG 4.33Å; L369-R380 HydrophobicContact CD1-CB 3.71Å; L369-R380 HydrophobicContact CD1-CG 3.67Å; E376-R380 WeakPolarHBondContact O-CB 3.5Å; E376-R380 PolarHBondContact O-N 2.96Å; V377-R380 PolarHBondContact O-N 2.91Å; R380-Q382 VanDerWaalsContact C-N 3.34Å; R380-E383 WeakPolarHBondContact CD-OE2 3.47Å; R380-E383 IonicContact CZ-OE2 2.62Å; R380-E383 IonicContact NE-OE2 2.67Å; R380-E383 IonicContact NH1-OE2 3.23Å; R380-E383 PolarHBondContact NH1-OE2 3.3Å; R380-E383 PolarHBondContact O-N 2.98Å; R380-I384 HydrophobicContact CG-CD1 4.02Å; R380-I384 VanDerWaalsContact O-CG1 3.29Å; R380-I384 WeakPolarHBondContact O-CG1 3.46Å; R380-I384 PolarHBondContact O-N 2.85Å
381	V	98.4	Very high	97.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-44.6	173	166	0	0	0	0	110.9	L369 V377 P378 T379 I384 W385 V411 P414 A418 F419	L369-V381 HydrophobicContact CD1-CG2 3.89Å; L369-V381 HydrophobicContact CD2-CG2 3.73Å; L369-V381 HydrophobicContact CG-CG2 4.44Å; V377-V381 HydrophobicContact CG1-CG2 4.16Å; V377-V381 WeakPolarHBondContact O-CB 3.31Å; V377-V381 VanDerWaalsContact O-CG2 3.24Å; V377-V381 WeakPolarHBondContact O-CG2 3.11Å; V377-V381 PolarHBondContact O-N 2.69Å; P378-V381 PolarHBondContact O-N 2.92Å; T379-V381 VanDerWaalsContact C-N 3.3Å; T379-V381 PolarHBondContact O-N 3.16Å; V381-I384 PolarHBondContact O-N 2.98Å; V381-W385 WeakPolarHBondContact O-CB 3.44Å; V381-W385 PolarHBondContact O-N 3.29Å; V381-V411 HydrophobicContact CG1-CB 4.32Å; V381-V411 HydrophobicContact CG1-CG1 4.07Å; V381-V411 HydrophobicContact CG1-CG2 3.95Å; V381-P414 HydrophobicContact CB-CB 3.98Å; V381-P414 HydrophobicContact CG1-CB 4.01Å; V381-P414 HydrophobicContact CG1-CG 4.37Å; V381-P414 HydrophobicContact CG2-CB 4.06Å; V381-A418 HydrophobicContact CG1-CB 4.38Å; V381-A418 HydrophobicContact CG2-CB 4.33Å; V381-F419 HydrophobicContact CB-CE2 4.15Å; V381-F419 HydrophobicContact CG1-CE2 3.93Å; V381-F419 HydrophobicContact CG1-CZ 3.94Å; V381-F419 HydrophobicContact CG2-CE2 4.01Å; V381-F419 WeakPolarHBondContact O-CZ 3.37Å
382	Q	97.9	Very high	97.4	Very high	77 Å²	77	62.1 Å²	62.1	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-40.8	178.7	-64.3	-57.6	-36.5	0	0	112	P378 T379 R380 W385 Q386 V411	P378-Q382 PolarHBondContact O-N 3.2Å; T379-Q382 PolarHBondContact O-N 3.5Å; T379-Q382 VanDerWaalsContact O-N 3.09Å; R380-Q382 VanDerWaalsContact C-N 3.34Å; Q382-W385 PolarHBondContact O-N 3.14Å; Q382-Q386 VanDerWaalsContact O-CG 3.29Å; Q382-Q386 WeakPolarHBondContact O-CG 3.36Å; Q382-Q386 PolarHBondContact O-N 3.48Å; Q382-V411 PolarHBondContact NE2-O 3.02Å
383	E	98.1	Very high	97.4	Very high	89 Å²	89	58.5 Å²	58.5	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-50.9	175.1	-69	168.9	-172.9	0	0	112	T379 R380 W385 Q386 E387	T379-E383 PolarHBondContact O-N 3.21Å; R380-E383 WeakPolarHBondContact CD-OE2 3.47Å; R380-E383 IonicContact CZ-OE2 2.62Å; R380-E383 IonicContact NE-OE2 2.67Å; R380-E383 IonicContact NH1-OE2 3.23Å; R380-E383 PolarHBondContact NH1-OE2 3.3Å; R380-E383 PolarHBondContact O-N 2.98Å; E383-W385 VanDerWaalsContact C-N 3.3Å; E383-W385 PolarHBondContact O-N 2.92Å; E383-Q386 PolarHBondContact O-N 2.95Å; E383-E387 WeakPolarHBondContact O-CB 3.32Å; E383-E387 PolarHBondContact O-N 3.27Å
384	I	98.4	Very high	97.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-40.5	179.4	-66.7	170.5	0	0	0	110.6	F362 A365 V366 L369 R380 V381 E387 F388 F419	F362-I384 HydrophobicContact CD2-CG2 3.95Å; F362-I384 HydrophobicContact CE2-CG2 3.8Å; A365-I384 HydrophobicContact CB-CD1 4.01Å; A365-I384 HydrophobicContact CB-CG1 4Å; A365-I384 WeakPolarHBondContact O-CD1 3.17Å; V366-I384 HydrophobicContact CG2-CG2 4.34Å; L369-I384 HydrophobicContact CB-CD1 3.95Å; L369-I384 HydrophobicContact CD2-CD1 4.27Å; R380-I384 HydrophobicContact CG-CD1 4.02Å; R380-I384 VanDerWaalsContact O-CG1 3.29Å; R380-I384 WeakPolarHBondContact O-CG1 3.46Å; R380-I384 PolarHBondContact O-N 2.85Å; V381-I384 PolarHBondContact O-N 2.98Å; I384-E387 PolarHBondContact O-N 2.9Å; I384-F388 HydrophobicContact CG2-CD2 4.03Å; I384-F388 WeakPolarHBondContact O-CD2 3.33Å; I384-F388 PolarHBondContact O-N 3.37Å; I384-F388 VanDerWaalsContact O-N 3.11Å; I384-F419 HydrophobicContact CB-CE2 4Å; I384-F419 HydrophobicContact CB-CZ 3.9Å; I384-F419 HydrophobicContact CD1-CE2 4.36Å; I384-F419 HydrophobicContact CG2-CD1 4.42Å; I384-F419 HydrophobicContact CG2-CD2 4.3Å; I384-F419 HydrophobicContact CG2-CE1 4.01Å; I384-F419 HydrophobicContact CG2-CE2 3.86Å; I384-F419 HydrophobicContact CG2-CZ 3.71Å
385	W	97.9	Very high	97.2	Very high	29 Å²	29	56.6 Å²	56.6	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-49.8	175.9	174.4	-96.8	0	0	0	111.5	V381 Q382 E383 E387 L389 A390 Y404 T407 T408 V411 F419	V381-W385 WeakPolarHBondContact O-CB 3.44Å; V381-W385 PolarHBondContact O-N 3.29Å; Q382-W385 PolarHBondContact O-N 3.14Å; E383-W385 VanDerWaalsContact C-N 3.3Å; E383-W385 PolarHBondContact O-N 2.92Å; W385-E387 VanDerWaalsContact C-N 3.34Å; W385-E387 PolarHBondContact O-N 3.1Å; W385-L389 HydrophobicContact CD2-CB 4.18Å; W385-L389 HydrophobicContact CE3-CB 3.61Å; W385-L389 HydrophobicContact CE3-CD1 4.05Å; W385-L389 HydrophobicContact CH2-CB 4.36Å; W385-L389 HydrophobicContact CZ3-CB 3.73Å; W385-L389 HydrophobicContact CZ3-CD1 4.18Å; W385-L389 CarbonylContact O-C 3.46Å; W385-L389 PolarHBondContact O-N 2.93Å; W385-A390 PolarHBondContact O-N 2.98Å; W385-Y404 HydrophobicContact CH2-CE1 4.49Å; W385-Y404 HydrophobicContact CH2-CE2 4.14Å; W385-Y404 AromaticContact CH2-CZ 3.89Å; W385-T407 HydrophobicContact CE3-CG2 4.37Å; W385-T407 HydrophobicContact CZ3-CG2 4.18Å; W385-T408 HydrophobicContact CH2-CG2 4.18Å; W385-T408 WeakPolarHBondContact CH2-OG1 2.93Å; W385-V411 HydrophobicContact CB-CG1 4.25Å; W385-V411 HydrophobicContact CD2-CG1 4.27Å; W385-V411 HydrophobicContact CD2-CG2 4.38Å; W385-V411 HydrophobicContact CE3-CB 4.49Å; W385-V411 HydrophobicContact CE3-CG2 3.87Å; W385-V411 HydrophobicContact CG-CG1 4.13Å; W385-F419 HydrophobicContact CB-CZ 4.39Å
386	Q	98.1	Very high	97.1	Very high	110 Å²	110	50.1 Å²	50.1	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-34.9	-179.1	-65.9	-60	-28.8	0	0	113	Q382 E383 A393 P394	Q382-Q386 VanDerWaalsContact O-CG 3.29Å; Q382-Q386 WeakPolarHBondContact O-CG 3.36Å; Q382-Q386 PolarHBondContact O-N 3.48Å; E383-Q386 PolarHBondContact O-N 2.95Å; Q386-A393 WeakPolarHBondContact O-CB 3.3Å; Q386-P394 WeakPolarHBondContact O-CD 3.39Å
387	E	98.3	Very high	97	Very high	69 Å²	69	48.2 Å²	48.2	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-75.3	-37.5	-177.8	-173	177.5	174	0	0	113.2	E383 I384 W385 A393 P394 S395	E383-E387 WeakPolarHBondContact O-CB 3.32Å; E383-E387 PolarHBondContact O-N 3.27Å; I384-E387 PolarHBondContact O-N 2.9Å; W385-E387 VanDerWaalsContact C-N 3.34Å; W385-E387 PolarHBondContact O-N 3.1Å; E387-A393 WeakPolarHBondContact O-CB 3.34Å; E387-P394 WeakPolarHBondContact O-CD 3.45Å; E387-S395 CarbonylContact O-C 3.5Å; E387-S395 WeakPolarHBondContact O-CA 3.46Å; E387-S395 PolarHBondContact O-N 2.99Å
388	F	98.1	Very high	96.7	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-119.9	-25.7	-167.3	-61.4	-76.3	0	0	0	115.8	R361 F362 A365 I384 S395 A396 I397	R361-F388 HydrophobicContact CB-CE1 3.94Å; R361-F388 HydrophobicContact CB-CZ 3.95Å; F362-F388 HydrophobicContact CB-CB 4.46Å; F362-F388 HydrophobicContact CB-CD1 3.71Å; F362-F388 HydrophobicContact CB-CD2 4.26Å; F362-F388 HydrophobicContact CB-CE1 3.96Å; F362-F388 HydrophobicContact CB-CE2 4.47Å; F362-F388 HydrophobicContact CB-CG 3.89Å; F362-F388 HydrophobicContact CB-CZ 4.35Å; F362-F388 HydrophobicContact CD2-CB 3.71Å; F362-F388 HydrophobicContact CD2-CD1 4.43Å; F362-F388 AromaticContact CD2-CD2 3.83Å; F362-F388 HydrophobicContact CD2-CD2 3.83Å; F362-F388 AromaticContact CD2-CG 3.73Å; F362-F388 HydrophobicContact CD2-CG 3.73Å; F362-F388 HydrophobicContact CE2-CB 4.42Å; F362-F388 HydrophobicContact CG-CB 4.43Å; F362-F388 HydrophobicContact CG-CG 4.27Å; A365-F388 HydrophobicContact CB-CE2 4.18Å; I384-F388 HydrophobicContact CG2-CD2 4.03Å; I384-F388 WeakPolarHBondContact O-CD2 3.33Å; I384-F388 PolarHBondContact O-N 3.37Å; I384-F388 VanDerWaalsContact O-N 3.11Å; F388-S395 VanDerWaalsContact CD1-O 3.27Å; F388-S395 WeakPolarHBondContact CD1-O 3.04Å; F388-A396 WeakPolarHBondContact O-CA 3.29Å; F388-I397 HydrophobicContact CB-CD1 4.43Å; F388-I397 HydrophobicContact CB-CG1 4.24Å; F388-I397 HydrophobicContact CB-CG2 4.4Å; F388-I397 HydrophobicContact CD1-CG2 4.05Å; F388-I397 WeakPolarHBondContact O-CG1 3.5Å; F388-I397 PolarHBondContact O-N 2.86Å
389	L	97.4	Very high	96.5	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.047	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-22.6	-168.1	-74	167.5	0	0	0	114.5	F362 W385 I397 V399 Y404 T407 F419	F362-L389 HydrophobicContact CE2-CD1 4.08Å; F362-L389 HydrophobicContact CZ-CD1 4.36Å; W385-L389 HydrophobicContact CD2-CB 4.18Å; W385-L389 HydrophobicContact CE3-CB 3.61Å; W385-L389 HydrophobicContact CE3-CD1 4.05Å; W385-L389 HydrophobicContact CH2-CB 4.36Å; W385-L389 HydrophobicContact CZ3-CB 3.73Å; W385-L389 HydrophobicContact CZ3-CD1 4.18Å; W385-L389 CarbonylContact O-C 3.46Å; W385-L389 PolarHBondContact O-N 2.93Å; L389-I397 HydrophobicContact CD2-CD1 3.85Å; L389-I397 HydrophobicContact CD2-CG1 3.73Å; L389-I397 HydrophobicContact CG-CD1 4.14Å; L389-I397 HydrophobicContact CG-CG1 4.19Å; L389-V399 HydrophobicContact CD2-CG2 4.18Å; L389-Y404 HydrophobicContact CB-CE2 4.45Å; L389-Y404 HydrophobicContact CD2-CD2 3.99Å; L389-Y404 HydrophobicContact CD2-CE2 4.25Å; L389-Y404 WeakPolarHBondContact O-CE2 3.02Å; L389-Y404 PolarHBondContact O-OH 3.29Å; L389-T407 HydrophobicContact CD1-CG2 3.85Å; L389-F419 HydrophobicContact CD1-CD1 3.94Å; L389-F419 HydrophobicContact CD1-CE1 3.9Å
390	A	95.6	Very high	96.3	Very high	7 Å²	7	50.6 Å²	50.6	6%	0.058	30%	0.301	C	S	.	.	S	Bend	trans	-61.2	151.8	178.7	0	0	0	0	0	111.7	W385 G392 A393	W385-A390 PolarHBondContact O-N 2.98Å; A390-G392 PolarHBondContact O-N 3.4Å; A390-G392 VanDerWaalsContact O-N 3.14Å; A390-A393 WeakPolarHBondContact O-CB 3.46Å; A390-A393 PolarHBondContact O-N 2.57Å
391	P	94.1	Very high	96	Very high	117 Å²	117	54 Å²	54	76%	0.76	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	121	172.3	-24.1	34.3	0	0	0	111
392	G	93.7	Very high	95.9	Very high	83 Å²	83	62 Å²	62	86%	0.856	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	17.7	-175.6	0	0	0	0	0	114.7	A390	A390-G392 PolarHBondContact O-N 3.4Å; A390-G392 VanDerWaalsContact O-N 3.14Å
393	A	96.3	Very high	95.7	Very high	12 Å²	12	59 Å²	59	10%	0.099	35%	0.353	C	S	.	.			trans	-53.2	136.9	176.1	0	0	0	0	0	112.1	Q386 E387 A390 S395 A396	Q386-A393 WeakPolarHBondContact O-CB 3.3Å; E387-A393 WeakPolarHBondContact O-CB 3.34Å; A390-A393 WeakPolarHBondContact O-CB 3.46Å; A390-A393 PolarHBondContact O-N 2.57Å; A393-S395 VanDerWaalsContact C-N 3.25Å; A393-S395 PolarHBondContact O-N 3.26Å; A393-A396 HydrophobicContact CB-CB 4.18Å; A393-A396 PolarHBondContact O-N 2.92Å
394	P	95.4	Very high	95.6	Very high	110 Å²	110	58.7 Å²	58.7	71%	0.714	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.4	-176.2	27.5	-35.8	0	0	0	113.5	Q386 E387	Q386-P394 WeakPolarHBondContact O-CD 3.39Å; E387-P394 WeakPolarHBondContact O-CD 3.45Å
395	S	96	Very high	95.5	Very high	29 Å²	29	60.2 Å²	60.2	20%	0.203	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	50.1	176.2	-67.7	0	0	0	0	110.3	E387 F388 A393 I397	E387-S395 CarbonylContact O-C 3.5Å; E387-S395 WeakPolarHBondContact O-CA 3.46Å; E387-S395 PolarHBondContact O-N 2.99Å; F388-S395 VanDerWaalsContact CD1-O 3.27Å; F388-S395 WeakPolarHBondContact CD1-O 3.04Å; A393-S395 VanDerWaalsContact C-N 3.25Å; A393-S395 PolarHBondContact O-N 3.26Å; S395-I397 PolarHBondContact O-N 2.86Å
396	A	95.3	Very high	95.3	Very high	65 Å²	65	63.4 Å²	63.4	54%	0.537	38%	0.379	S	S	.	.			trans	-55.7	122	-175.7	0	0	0	0	0	112.7	F388 A393	F388-A396 WeakPolarHBondContact O-CA 3.29Å; A393-A396 HydrophobicContact CB-CB 4.18Å; A393-A396 PolarHBondContact O-N 2.92Å
397	I	95.9	Very high	95.2	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.092	36%	0.355	C	S	.	.			trans	-91.4	151.2	176.4	57.1	169.7	0	0	0	111.6	E358 F362 F388 L389 S395 V399 I426	E358-I397 HydrophobicContact CB-CG2 4.09Å; E358-I397 HydrophobicContact CG-CG2 3.88Å; F362-I397 HydrophobicContact CB-CD1 4.25Å; F362-I397 HydrophobicContact CB-CG2 3.98Å; F362-I397 HydrophobicContact CD1-CD1 3.5Å; F362-I397 HydrophobicContact CD2-CD1 3.74Å; F362-I397 HydrophobicContact CE1-CD1 3.62Å; F362-I397 HydrophobicContact CE2-CD1 3.87Å; F362-I397 HydrophobicContact CG-CD1 3.55Å; F362-I397 HydrophobicContact CG-CG2 4.45Å; F362-I397 HydrophobicContact CZ-CD1 3.8Å; F388-I397 HydrophobicContact CB-CD1 4.43Å; F388-I397 HydrophobicContact CB-CG1 4.24Å; F388-I397 HydrophobicContact CB-CG2 4.4Å; F388-I397 HydrophobicContact CD1-CG2 4.05Å; F388-I397 WeakPolarHBondContact O-CG1 3.5Å; F388-I397 PolarHBondContact O-N 2.86Å; L389-I397 HydrophobicContact CD2-CD1 3.85Å; L389-I397 HydrophobicContact CD2-CG1 3.73Å; L389-I397 HydrophobicContact CG-CD1 4.14Å; L389-I397 HydrophobicContact CG-CG1 4.19Å; S395-I397 PolarHBondContact O-N 2.86Å; I397-V399 HydrophobicContact CD1-CG2 3.53Å; I397-V399 HydrophobicContact CG1-CG2 3.82Å; I397-I426 HydrophobicContact CB-CD1 4.16Å; I397-I426 HydrophobicContact CD1-CD1 4.09Å; I397-I426 HydrophobicContact CD1-CG1 3.94Å
398	N	91.1	Very high	95.1	Very high	125 Å²	125	57.1 Å²	57.1	67%	0.668	35%	0.353	S	S	*	.			trans	-89	112	174.3	-170.5	9.7	0	0	0	110.6	I426	N398-I426 WeakPolarHBondContact O-CD1 3.46Å
399	V	93.8	Very high	95	Very high	17 Å²	17	63.6 Å²	63.6	10%	0.103	38%	0.383	C	S	.	.			trans	-129.6	142.2	179.9	178.6	0	0	0	0	109	L389 I397 A422 I426	L389-V399 HydrophobicContact CD2-CG2 4.18Å; I397-V399 HydrophobicContact CD1-CG2 3.53Å; I397-V399 HydrophobicContact CG1-CG2 3.82Å; V399-A422 HydrophobicContact CG1-CB 4.27Å; V399-A422 HydrophobicContact CG2-CB 4.49Å; V399-I426 HydrophobicContact CG2-CD1 3.85Å; V399-I426 HydrophobicContact CG2-CG1 4.06Å
400	D	93.4	Very high	94.8	Very high	55 Å²	55	65.5 Å²	65.5	29%	0.294	39%	0.393	S	S	.	.			trans	-61.3	153.8	177.6	74.4	82.7	0	0	0	112.8	K402 S403 Y404 H425	D400-K402 PolarHBondContact O-N 3.16Å; D400-K402 WeakPolarHBondContact OD1-CA 3.25Å; D400-K402 VanDerWaalsContact OD1-CB 3.28Å; D400-K402 WeakPolarHBondContact OD1-CB 3.17Å; D400-K402 PolarHBondContact OD1-N 3.16Å; D400-S403 PolarHBondContact O-N 2.87Å; D400-S403 PolarHBondContact OD1-N 2.55Å; D400-S403 PolarHBondContact OD1-OG 3.15Å; D400-S403 WeakPolarHBondContact OD2-CB 3.4Å; D400-S403 PolarHBondContact OD2-OG 2.59Å; D400-Y404 WeakPolarHBondContact O-CB 3.28Å; D400-Y404 PolarHBondContact O-N 2.8Å; D400-H425 IonicContact OD2-CE1 3.99Å; D400-H425 PolarHBondContact OD2-CE1 3.04Å; D400-H425 IonicContact OD2-CG 2.66Å; D400-H425 IonicContact OD2-ND1 2.65Å; D400-H425 PolarHBondContact OD2-ND1 2.93Å
401	S	93.4	Very high	94.8	Very high	111 Å²	111	65.6 Å²	65.6	78%	0.776	39%	0.393	S	S	*	.	H	α-helix	trans	-59.7	-31.9	-173.5	59.1	0	0	0	0	113.8	G405	S401-G405 PolarHBondContact O-N 3Å
402	K	94.8	Very high	94.8	Very high	169 Å²	169	68.1 Å²	68.1	74%	0.735	39%	0.392	S	S	*	.	H	α-helix	trans	-70.8	-48.8	179.1	178.5	-173.2	176.6	-174.3	0	110.3	D400 G405 K406	D400-K402 PolarHBondContact O-N 3.16Å; D400-K402 WeakPolarHBondContact OD1-CA 3.25Å; D400-K402 VanDerWaalsContact OD1-CB 3.28Å; D400-K402 WeakPolarHBondContact OD1-CB 3.17Å; D400-K402 PolarHBondContact OD1-N 3.16Å; K402-G405 PolarHBondContact O-N 2.63Å; K402-K406 PolarHBondContact O-N 3.49Å
403	S	94.9	Very high	94.8	Very high	14 Å²	14	70.9 Å²	70.9	10%	0.098	39%	0.388	C	S	.	.	H	α-helix	trans	-64	-40.6	178	-61.1	0	0	0	0	111.5	D400 T407	D400-S403 PolarHBondContact O-N 2.87Å; D400-S403 PolarHBondContact OD1-N 2.55Å; D400-S403 PolarHBondContact OD1-OG 3.15Å; D400-S403 WeakPolarHBondContact OD2-CB 3.4Å; D400-S403 PolarHBondContact OD2-OG 2.59Å; S403-T407 WeakPolarHBondContact O-CB 3.42Å; S403-T407 PolarHBondContact O-N 3.23Å; S403-T407 PolarHBondContact O-OG1 3.24Å
404	Y	95.9	Very high	94.7	Very high	81 Å²	81	72.2 Å²	72.2	32%	0.318	40%	0.395	S	S	.	.	H	α-helix	trans	-62	-47.6	174	-175.6	-88.7	0	0	0	112	W385 L389 D400 K406 T407 T408	W385-Y404 HydrophobicContact CH2-CE1 4.49Å; W385-Y404 HydrophobicContact CH2-CE2 4.14Å; W385-Y404 AromaticContact CH2-CZ 3.89Å; L389-Y404 HydrophobicContact CB-CE2 4.45Å; L389-Y404 HydrophobicContact CD2-CD2 3.99Å; L389-Y404 HydrophobicContact CD2-CE2 4.25Å; L389-Y404 WeakPolarHBondContact O-CE2 3.02Å; L389-Y404 PolarHBondContact O-OH 3.29Å; D400-Y404 WeakPolarHBondContact O-CB 3.28Å; D400-Y404 PolarHBondContact O-N 2.8Å; Y404-K406 PolarHBondContact O-N 2.87Å; Y404-T407 PolarHBondContact O-N 3.09Å; Y404-T408 WeakPolarHBondContact O-CB 3.45Å; Y404-T408 PolarHBondContact O-N 3.49Å; Y404-T408 PolarHBondContact O-OG1 3.07Å
405	G	95.1	Very high	94.6	Very high	33 Å²	33	68.2 Å²	68.2	34%	0.34	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-43.7	179.6	0	0	0	0	0	112.9	S401 K402 T408 Q409	S401-G405 PolarHBondContact O-N 3Å; K402-G405 PolarHBondContact O-N 2.63Å; G405-T408 WeakPolarHBondContact O-CB 3.28Å; G405-T408 PolarHBondContact O-N 3.35Å; G405-Q409 PolarHBondContact O-N 3.15Å
406	K	94.7	Very high	94.7	Very high	96 Å²	96	69.9 Å²	69.9	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-43.9	177.1	-171.1	168.4	169.9	-154.1	0	111.9	K402 Y404 T408 Q409 N410 D421	K402-K406 PolarHBondContact O-N 3.49Å; Y404-K406 PolarHBondContact O-N 2.87Å; K406-T408 VanDerWaalsContact C-N 3.31Å; K406-T408 PolarHBondContact O-N 3.15Å; K406-Q409 PolarHBondContact O-N 3.02Å; K406-Q409 VanDerWaalsContact O-N 3.14Å; K406-N410 PolarHBondContact O-N 2.89Å; K406-N410 PolarHBondContact O-OD1 3.2Å; K406-D421 VanDerWaalsContact CD-OD2 3.24Å; K406-D421 WeakPolarHBondContact CD-OD2 3.36Å; K406-D421 WeakPolarHBondContact CE-OD2 3.42Å; K406-D421 IonicContact NZ-OD1 3.97Å; K406-D421 PolarHBondContact NZ-OD1 3.37Å; K406-D421 IonicContact NZ-OD2 3.72Å; K406-D421 PolarHBondContact NZ-OD2 3.09Å
407	T	95.9	Very high	94.8	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-41.4	176.1	-55.7	0	0	0	0	111.4	W385 L389 S403 Y404 Q409 N410 V411 F419	W385-T407 HydrophobicContact CE3-CG2 4.37Å; W385-T407 HydrophobicContact CZ3-CG2 4.18Å; L389-T407 HydrophobicContact CD1-CG2 3.85Å; S403-T407 WeakPolarHBondContact O-CB 3.42Å; S403-T407 PolarHBondContact O-N 3.23Å; S403-T407 PolarHBondContact O-OG1 3.24Å; Y404-T407 PolarHBondContact O-N 3.09Å; T407-Q409 VanDerWaalsContact C-N 3.26Å; T407-Q409 PolarHBondContact O-N 3.22Å; T407-N410 PolarHBondContact O-N 3.42Å; T407-N410 VanDerWaalsContact O-N 3.16Å; T407-V411 HydrophobicContact CG2-CG2 4.15Å; T407-V411 VanDerWaalsContact O-CG2 3.25Å; T407-V411 WeakPolarHBondContact O-CG2 3.3Å; T407-V411 PolarHBondContact O-N 2.93Å; T407-F419 HydrophobicContact CG2-CD1 3.45Å; T407-F419 VanDerWaalsContact CG2-CD1 3.45Å; T407-F419 HydrophobicContact CG2-CE1 3.77Å; T407-F419 HydrophobicContact CG2-CG 4.45Å
408	T	95.8	Very high	94.8	Very high	47 Å²	47	73.7 Å²	73.7	29%	0.288	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-36.5	176.4	-54.9	0	0	0	0	112.3	W385 Y404 G405 K406	W385-T408 HydrophobicContact CH2-CG2 4.18Å; W385-T408 WeakPolarHBondContact CH2-OG1 2.93Å; Y404-T408 WeakPolarHBondContact O-CB 3.45Å; Y404-T408 PolarHBondContact O-N 3.49Å; Y404-T408 PolarHBondContact O-OG1 3.07Å; G405-T408 WeakPolarHBondContact O-CB 3.28Å; G405-T408 PolarHBondContact O-N 3.35Å; K406-T408 VanDerWaalsContact C-N 3.31Å; K406-T408 PolarHBondContact O-N 3.15Å
409	Q	95.4	Very high	95.2	Very high	137 Å²	137	67.8 Å²	67.8	64%	0.64	35%	0.345	S	S	*	.	H	α-helix	trans	-73	-46.1	174.2	-68.8	-174	-4.8	0	0	111.5	G405 K406 T407 V411 K412	G405-Q409 PolarHBondContact O-N 3.15Å; K406-Q409 PolarHBondContact O-N 3.02Å; K406-Q409 VanDerWaalsContact O-N 3.14Å; T407-Q409 VanDerWaalsContact C-N 3.26Å; T407-Q409 PolarHBondContact O-N 3.22Å; Q409-V411 VanDerWaalsContact C-N 3.28Å; Q409-V411 PolarHBondContact O-N 3.4Å; Q409-K412 VanDerWaalsContact O-CB 3.3Å; Q409-K412 WeakPolarHBondContact O-CB 3.36Å; Q409-K412 PolarHBondContact O-N 2.97Å; Q409-K412 VanDerWaalsContact O-N 3.09Å
410	N	94.8	Very high	95.3	Very high	49 Å²	49	70.5 Å²	70.5	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-34.8	-178.9	-64.8	-14.3	0	0	0	112.8	K406 T407 K412 D413 A418	K406-N410 PolarHBondContact O-N 2.89Å; K406-N410 PolarHBondContact O-OD1 3.2Å; T407-N410 PolarHBondContact O-N 3.42Å; T407-N410 VanDerWaalsContact O-N 3.16Å; N410-K412 PolarHBondContact O-N 3.3Å; N410-D413 CarbonylContact O-C 3.58Å; N410-D413 PolarHBondContact O-N 3.36Å; N410-D413 VanDerWaalsContact O-N 3.16Å; N410-A418 HydrophobicContact CB-CB 4.09Å; N410-A418 WeakPolarHBondContact CB-O 3.27Å; N410-A418 PolarHBondContact ND2-O 3.09Å
411	V	94.9	Very high	95.4	Very high	10 Å²	10	69.8 Å²	69.8	6%	0.061	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	179.2	170.1	0	0	0	0	112.4	V381 Q382 W385 T407 Q409 D413 F419	V381-V411 HydrophobicContact CG1-CB 4.32Å; V381-V411 HydrophobicContact CG1-CG1 4.07Å; V381-V411 HydrophobicContact CG1-CG2 3.95Å; Q382-V411 PolarHBondContact NE2-O 3.02Å; W385-V411 HydrophobicContact CB-CG1 4.25Å; W385-V411 HydrophobicContact CD2-CG1 4.27Å; W385-V411 HydrophobicContact CD2-CG2 4.38Å; W385-V411 HydrophobicContact CE3-CB 4.49Å; W385-V411 HydrophobicContact CE3-CG2 3.87Å; W385-V411 HydrophobicContact CG-CG1 4.13Å; T407-V411 HydrophobicContact CG2-CG2 4.15Å; T407-V411 VanDerWaalsContact O-CG2 3.25Å; T407-V411 WeakPolarHBondContact O-CG2 3.3Å; T407-V411 PolarHBondContact O-N 2.93Å; Q409-V411 VanDerWaalsContact C-N 3.28Å; Q409-V411 PolarHBondContact O-N 3.4Å; V411-D413 VanDerWaalsContact C-N 3.31Å; V411-F419 HydrophobicContact CG2-CE1 3.96Å; V411-F419 HydrophobicContact CG2-CZ 4.02Å
412	K	94.3	Very high	95.6	Very high	170 Å²	170	64.5 Å²	64.5	74%	0.739	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.5	173.7	-60.9	-179.1	-179.4	-177.9	0	112.9	Q409 N410	Q409-K412 VanDerWaalsContact O-CB 3.3Å; Q409-K412 WeakPolarHBondContact O-CB 3.36Å; Q409-K412 PolarHBondContact O-N 2.97Å; Q409-K412 VanDerWaalsContact O-N 3.09Å; N410-K412 PolarHBondContact O-N 3.3Å
413	D	93.7	Very high	95.8	Very high	141 Å²	141	56.8 Å²	56.8	75%	0.754	28%	0.283	S	S	*	.	S	Bend	trans	-125.8	81.9	172.8	-175	20.9	0	0	0	109.2	N410 V411 G415	N410-D413 CarbonylContact O-C 3.58Å; N410-D413 PolarHBondContact O-N 3.36Å; N410-D413 VanDerWaalsContact O-N 3.16Å; V411-D413 VanDerWaalsContact C-N 3.31Å; D413-G415 PolarHBondContact O-N 3.39Å
414	P	93.4	Very high	95.8	Very high	39 Å²	39	60.8 Å²	60.8	25%	0.253	30%	0.3	S	S	.	.			trans	-59	119.6	-168.3	-27.7	36.2	0	0	0	114.1	P378 V381	P378-P414 HydrophobicContact CB-CB 4.1Å; P378-P414 HydrophobicContact CB-CG 4.33Å; V381-P414 HydrophobicContact CB-CB 3.98Å; V381-P414 HydrophobicContact CG1-CB 4.01Å; V381-P414 HydrophobicContact CG1-CG 4.37Å; V381-P414 HydrophobicContact CG2-CB 4.06Å
415	G	94.6	Very high	95.9	Very high	27 Å²	27	59.6 Å²	59.6	28%	0.278	30%	0.297	S	S	.	.			trans	-129.5	168	173.5	0	0	0	0	0	113	D413 Y417 A418	D413-G415 PolarHBondContact O-N 3.39Å; G415-Y417 PolarHBondContact O-N 2.97Å; G415-Y417 VanDerWaalsContact O-N 3.08Å; G415-A418 WeakPolarHBondContact O-CB 3.4Å; G415-A418 PolarHBondContact O-N 3.48Å; G415-A418 VanDerWaalsContact O-N 3.1Å
416	R	97	Very high	96	Very high	63 Å²	63	58 Å²	58	24%	0.238	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.2	177.6	-68.9	-179.2	-178.1	-78.8	-10	113.7	K370 R372 I374 V377	K370-R416 WeakPolarHBondContact CG-O 3.29Å; K370-R416 PolarHBondContact O-NH1 2.87Å; R372-R416 PolarHBondContact O-NH1 2.74Å; R372-R416 PolarHBondContact O-NH2 3.31Å; I374-R416 HydrophobicContact CD1-CG 4.49Å; V377-R416 HydrophobicContact CG1-CG 4.5Å; V377-R416 HydrophobicContact CG2-CG 4.04Å
417	Y	97.2	Very high	96.1	Very high	161 Å²	161	55.4 Å²	55.4	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	16.6	-176	-53.3	-74.9	0	0	0	112.4	G415 F419 E420	G415-Y417 PolarHBondContact O-N 2.97Å; G415-Y417 VanDerWaalsContact O-N 3.08Å; Y417-F419 PolarHBondContact O-N 2.78Å; Y417-F419 VanDerWaalsContact O-N 3.15Å; Y417-E420 PolarHBondContact O-N 3.11Å; Y417-E420 VanDerWaalsContact O-N 3.17Å
418	A	97.1	Very high	96.1	Very high	3 Å²	3	61 Å²	61	3%	0.025	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.9	-176.4	0	0	0	0	0	113.3	V381 N410 G415	V381-A418 HydrophobicContact CG1-CB 4.38Å; V381-A418 HydrophobicContact CG2-CB 4.33Å; N410-A418 HydrophobicContact CB-CB 4.09Å; N410-A418 WeakPolarHBondContact CB-O 3.27Å; N410-A418 PolarHBondContact ND2-O 3.09Å; G415-A418 WeakPolarHBondContact O-CB 3.4Å; G415-A418 PolarHBondContact O-N 3.48Å; G415-A418 VanDerWaalsContact O-N 3.1Å
419	F	98.1	Very high	96.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	14.7	-178.4	-57.7	-77.5	0	0	0	114	F362 V366 L369 V381 I384 W385 L389 T407 V411 Y417 D421 A422 Q423	F362-F419 HydrophobicContact CE2-CD1 4.1Å; F362-F419 HydrophobicContact CE2-CG 4.48Å; F362-F419 HydrophobicContact CZ-CB 4.18Å; F362-F419 HydrophobicContact CZ-CD1 4.2Å; F362-F419 HydrophobicContact CZ-CG 4.44Å; V366-F419 HydrophobicContact CB-CB 4.5Å; V366-F419 HydrophobicContact CG1-CB 3.89Å; V366-F419 HydrophobicContact CG2-CB 3.69Å; V366-F419 HydrophobicContact CG2-CD2 4.13Å; V366-F419 HydrophobicContact CG2-CG 3.99Å; L369-F419 HydrophobicContact CD2-CD2 3.63Å; L369-F419 HydrophobicContact CD2-CE2 3.82Å; V381-F419 HydrophobicContact CB-CE2 4.15Å; V381-F419 HydrophobicContact CG1-CE2 3.93Å; V381-F419 HydrophobicContact CG1-CZ 3.94Å; V381-F419 HydrophobicContact CG2-CE2 4.01Å; V381-F419 WeakPolarHBondContact O-CZ 3.37Å; I384-F419 HydrophobicContact CB-CE2 4Å; I384-F419 HydrophobicContact CB-CZ 3.9Å; I384-F419 HydrophobicContact CD1-CE2 4.36Å; I384-F419 HydrophobicContact CG2-CD1 4.42Å; I384-F419 HydrophobicContact CG2-CD2 4.3Å; I384-F419 HydrophobicContact CG2-CE1 4.01Å; I384-F419 HydrophobicContact CG2-CE2 3.86Å; I384-F419 HydrophobicContact CG2-CZ 3.71Å; W385-F419 HydrophobicContact CB-CZ 4.39Å; L389-F419 HydrophobicContact CD1-CD1 3.94Å; L389-F419 HydrophobicContact CD1-CE1 3.9Å; T407-F419 HydrophobicContact CG2-CD1 3.45Å; T407-F419 VanDerWaalsContact CG2-CD1 3.45Å; T407-F419 HydrophobicContact CG2-CE1 3.77Å; T407-F419 HydrophobicContact CG2-CG 4.45Å; V411-F419 HydrophobicContact CG2-CE1 3.96Å; V411-F419 HydrophobicContact CG2-CZ 4.02Å; Y417-F419 PolarHBondContact O-N 2.78Å; Y417-F419 VanDerWaalsContact O-N 3.15Å; F419-D421 PolarHBondContact O-N 2.87Å; F419-A422 PolarHBondContact O-N 3.45Å; F419-Q423 VanDerWaalsContact O-CB 3.24Å; F419-Q423 WeakPolarHBondContact O-CB 3.49Å; F419-Q423 PolarHBondContact O-N 3.01Å
420	E	96.8	Very high	96.2	Very high	75 Å²	75	55 Å²	55	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-49.5	-172.6	-162.4	68.3	-156.7	0	0	112.5	K370 Y417 Q423 E424	K370-E420 WeakPolarHBondContact CE-OE2 3.3Å; K370-E420 VanDerWaalsContact NZ-CD 3.27Å; K370-E420 IonicContact NZ-OE1 3.67Å; K370-E420 PolarHBondContact NZ-OE1 3.13Å; K370-E420 VanDerWaalsContact NZ-OE1 3.12Å; K370-E420 IonicContact NZ-OE2 3.93Å; K370-E420 PolarHBondContact NZ-OE2 2.64Å; Y417-E420 PolarHBondContact O-N 3.11Å; Y417-E420 VanDerWaalsContact O-N 3.17Å; E420-Q423 PolarHBondContact O-N 2.89Å; E420-E424 WeakPolarHBondContact O-CB 3.27Å; E420-E424 PolarHBondContact O-N 2.79Å
421	D	96.1	Very high	96.2	Very high	40 Å²	40	57.3 Å²	57.3	21%	0.214	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-44.3	-178.9	-57.9	-97.6	0	0	0	112	K406 F419 E424 H425	K406-D421 VanDerWaalsContact CD-OD2 3.24Å; K406-D421 WeakPolarHBondContact CD-OD2 3.36Å; K406-D421 WeakPolarHBondContact CE-OD2 3.42Å; K406-D421 IonicContact NZ-OD1 3.97Å; K406-D421 PolarHBondContact NZ-OD1 3.37Å; K406-D421 IonicContact NZ-OD2 3.72Å; K406-D421 PolarHBondContact NZ-OD2 3.09Å; F419-D421 PolarHBondContact O-N 2.87Å; D421-E424 PolarHBondContact O-N 3.41Å; D421-H425 PolarHBondContact O-N 3.41Å
422	A	97.4	Very high	96.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.2	-40.8	176.9	0	0	0	0	0	111.8	F362 V399 F419 H425 I426	F362-A422 HydrophobicContact CE1-CB 4.18Å; F362-A422 HydrophobicContact CZ-CB 3.87Å; V399-A422 HydrophobicContact CG1-CB 4.27Å; V399-A422 HydrophobicContact CG2-CB 4.49Å; F419-A422 PolarHBondContact O-N 3.45Å; A422-H425 PolarHBondContact O-N 3.26Å; A422-I426 VanDerWaalsContact O-CG1 3.3Å; A422-I426 WeakPolarHBondContact O-CG1 3.42Å; A422-I426 PolarHBondContact O-N 3.11Å
423	Q	97.8	Very high	96.3	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-41.6	177.3	-173.5	-179.4	42	0	0	111.6	W363 V366 F419 E420 I426 Y427	W363-Q423 VanDerWaalsContact CD1-CG 3.44Å; W363-Q423 HydrophobicContact CG-CG 4.3Å; W363-Q423 PolarHBondContact O-NE2 3.48Å; V366-Q423 HydrophobicContact CB-CG 4.33Å; V366-Q423 HydrophobicContact CG1-CB 4.08Å; V366-Q423 HydrophobicContact CG1-CG 4.14Å; F419-Q423 VanDerWaalsContact O-CB 3.24Å; F419-Q423 WeakPolarHBondContact O-CB 3.49Å; F419-Q423 PolarHBondContact O-N 3.01Å; E420-Q423 PolarHBondContact O-N 2.89Å; Q423-I426 PolarHBondContact O-N 3.33Å; Q423-Y427 VanDerWaalsContact O-CB 3.29Å; Q423-Y427 WeakPolarHBondContact O-CB 3.25Å; Q423-Y427 PolarHBondContact O-N 3.47Å
424	E	96.9	Very high	96.4	Very high	98 Å²	98	49.2 Å²	49.2	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-42.9	176.4	-170	-175.3	171.9	0	0	111.4	E420 D421 Y427 K428	E420-E424 WeakPolarHBondContact O-CB 3.27Å; E420-E424 PolarHBondContact O-N 2.79Å; D421-E424 PolarHBondContact O-N 3.41Å; E424-Y427 PolarHBondContact O-N 3.21Å; E424-K428 HydrophobicContact CG-CD 4.26Å; E424-K428 WeakPolarHBondContact O-CB 3.15Å; E424-K428 WeakPolarHBondContact O-CG 3.45Å; E424-K428 PolarHBondContact O-N 3.39Å; E424-K428 VanDerWaalsContact OE1-CE 3.3Å; E424-K428 WeakPolarHBondContact OE1-CE 3.36Å; E424-K428 IonicContact OE1-NZ 3.12Å; E424-K428 PolarHBondContact OE1-NZ 3.37Å
425	H	96.6	Very high	96.6	Very high	56 Å²	56	48.6 Å²	48.6	26%	0.259	24%	0.235	S	C	.	.	H	α-helix	trans	-57.4	-53.5	174.8	-176.5	92.8	0	0	0	111.4	D400 D421 A422 Y427 K428 L429	D400-H425 IonicContact OD2-CE1 3.99Å; D400-H425 PolarHBondContact OD2-CE1 3.04Å; D400-H425 IonicContact OD2-CG 2.66Å; D400-H425 IonicContact OD2-ND1 2.65Å; D400-H425 PolarHBondContact OD2-ND1 2.93Å; D421-H425 PolarHBondContact O-N 3.41Å; A422-H425 PolarHBondContact O-N 3.26Å; H425-Y427 PolarHBondContact O-N 2.89Å; H425-K428 PolarHBondContact O-N 3.48Å; H425-L429 PolarHBondContact O-N 3.34Å
426	I	97.3	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-39.5	-178.8	-65.6	-62.5	0	0	0	111.8	N359 F362 I397 N398 V399 A422 Q423 L429 M430	N359-I426 HydrophobicContact CB-CG2 3.83Å; N359-I426 VanDerWaalsContact O-CG2 3.32Å; N359-I426 WeakPolarHBondContact O-CG2 3.48Å; F362-I426 HydrophobicContact CD1-CB 4.24Å; F362-I426 HydrophobicContact CD1-CG1 3.91Å; F362-I426 HydrophobicContact CD1-CG2 4.28Å; F362-I426 HydrophobicContact CE1-CB 4.46Å; F362-I426 HydrophobicContact CE1-CG1 4Å; I397-I426 HydrophobicContact CB-CD1 4.16Å; I397-I426 HydrophobicContact CD1-CD1 4.09Å; I397-I426 HydrophobicContact CD1-CG1 3.94Å; N398-I426 WeakPolarHBondContact O-CD1 3.46Å; V399-I426 HydrophobicContact CG2-CD1 3.85Å; V399-I426 HydrophobicContact CG2-CG1 4.06Å; A422-I426 VanDerWaalsContact O-CG1 3.3Å; A422-I426 WeakPolarHBondContact O-CG1 3.42Å; A422-I426 PolarHBondContact O-N 3.11Å; Q423-I426 PolarHBondContact O-N 3.33Å; I426-L429 PolarHBondContact O-N 3.02Å; I426-M430 HydrophobicContact CG2-CE 4.11Å; I426-M430 HydrophobicContact CG2-SD 4.48Å; I426-M430 WeakPolarHBondContact O-CG 3.48Å; I426-M430 PolarHBondContact O-N 3.23Å
427	Y	97.4	Very high	96.8	Very high	42 Å²	42	50 Å²	50	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-46.1	175	174	-89.6	0	0	0	111.8	I334 D335 L338 W363 Q423 E424 H425 L429 M430 K431	I334-Y427 HydrophobicContact CG2-CE2 3.82Å; I334-Y427 WeakPolarHBondContact CG2-OH 3.43Å; D335-Y427 WeakPolarHBondContact OD1-CE2 3.35Å; D335-Y427 PolarHBondContact OD1-OH 3.38Å; D335-Y427 PolarHBondContact OD2-OH 3.22Å; L338-Y427 HydrophobicContact CD1-CD2 4.16Å; L338-Y427 HydrophobicContact CD1-CE2 3.96Å; W363-Y427 HydrophobicContact CZ2-CD2 4.39Å; W363-Y427 AromaticContact NE1-CD2 3.68Å; Q423-Y427 VanDerWaalsContact O-CB 3.29Å; Q423-Y427 WeakPolarHBondContact O-CB 3.25Å; Q423-Y427 PolarHBondContact O-N 3.47Å; E424-Y427 PolarHBondContact O-N 3.21Å; H425-Y427 PolarHBondContact O-N 2.89Å; Y427-L429 VanDerWaalsContact C-N 3.32Å; Y427-L429 PolarHBondContact O-N 3.19Å; Y427-M430 PolarHBondContact O-N 3.44Å; Y427-K431 HydrophobicContact CE1-CB 4.48Å; Y427-K431 HydrophobicContact CE1-CD 3.74Å; Y427-K431 VanDerWaalsContact O-CB 3.23Å; Y427-K431 WeakPolarHBondContact O-CB 3.41Å; Y427-K431 PolarHBondContact O-N 3.49Å
428	K	96.2	Very high	96.8	Very high	116 Å²	116	42.5 Å²	42.5	50%	0.504	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-40.7	177.6	-77.4	171.2	171.9	167.8	0	111.7	E424 H425 K431 S432	E424-K428 HydrophobicContact CG-CD 4.26Å; E424-K428 WeakPolarHBondContact O-CB 3.15Å; E424-K428 WeakPolarHBondContact O-CG 3.45Å; E424-K428 PolarHBondContact O-N 3.39Å; E424-K428 VanDerWaalsContact OE1-CE 3.3Å; E424-K428 WeakPolarHBondContact OE1-CE 3.36Å; E424-K428 IonicContact OE1-NZ 3.12Å; E424-K428 PolarHBondContact OE1-NZ 3.37Å; H425-K428 PolarHBondContact O-N 3.48Å; K428-K431 PolarHBondContact O-N 2.84Å; K428-S432 PolarHBondContact O-N 3Å; K428-S432 PolarHBondContact O-OG 3.22Å; K428-S432 VanDerWaalsContact O-OG 3.05Å
429	L	95.1	Very high	96.9	Very high	60 Å²	60	43.7 Å²	43.7	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-51.1	175.7	-179.2	63.9	0	0	0	111.7	H425 I426 Y427 K431 S432 D433	H425-L429 PolarHBondContact O-N 3.34Å; I426-L429 PolarHBondContact O-N 3.02Å; Y427-L429 VanDerWaalsContact C-N 3.32Å; Y427-L429 PolarHBondContact O-N 3.19Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.39Å; L429-S432 PolarHBondContact O-N 3.03Å; L429-S432 PolarHBondContact O-OG 3.12Å; L429-D433 PolarHBondContact O-N 3.42Å
430	M	96.6	Very high	96.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-61.8	-39.4	176.6	-69.2	-171.5	-61.9	0	0	111.8	I334 F347 N359 L360 W363 I426 Y427 S434 Y435	I334-M430 HydrophobicContact CD1-CB 3.77Å; F347-M430 HydrophobicContact CE1-SD 4.48Å; N359-M430 HydrophobicContact CB-CG 4.01Å; N359-M430 HydrophobicContact CB-SD 3.98Å; L360-M430 HydrophobicContact CB-SD 3.93Å; L360-M430 HydrophobicContact CD1-CE 4.49Å; L360-M430 HydrophobicContact CD1-SD 4.3Å; W363-M430 HydrophobicContact CB-CE 3.81Å; W363-M430 HydrophobicContact CG-CE 3.9Å; I426-M430 HydrophobicContact CG2-CE 4.11Å; I426-M430 HydrophobicContact CG2-SD 4.48Å; I426-M430 WeakPolarHBondContact O-CG 3.48Å; I426-M430 PolarHBondContact O-N 3.23Å; Y427-M430 PolarHBondContact O-N 3.44Å; M430-S434 PolarHBondContact O-N 2.81Å; M430-Y435 VanDerWaalsContact O-CB 3.26Å; M430-Y435 WeakPolarHBondContact O-CB 3.15Å; M430-Y435 PolarHBondContact O-N 3.22Å
431	K	96.8	Very high	96.8	Very high	97 Å²	97	49.5 Å²	49.5	42%	0.422	24%	0.235	S	C	.	.	I	π-helix	trans	-65	-42.6	-178.9	-177.3	169.6	-176.1	161.2	0	112.6	I334 Y427 K428 L429	I334-K431 HydrophobicContact CD1-CB 4.3Å; I334-K431 HydrophobicContact CG2-CB 4.02Å; I334-K431 HydrophobicContact CG2-CD 3.95Å; I334-K431 HydrophobicContact CG2-CG 3.82Å; Y427-K431 HydrophobicContact CE1-CB 4.48Å; Y427-K431 HydrophobicContact CE1-CD 3.74Å; Y427-K431 VanDerWaalsContact O-CB 3.23Å; Y427-K431 WeakPolarHBondContact O-CB 3.41Å; Y427-K431 PolarHBondContact O-N 3.49Å; K428-K431 PolarHBondContact O-N 2.84Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.39Å
432	S	94.9	Very high	96.8	Very high	84 Å²	84	51.7 Å²	51.7	59%	0.587	25%	0.253	S	S	*	.	I	π-helix	trans	-79.5	-35.7	-178	57.9	0	0	0	0	112.8	K428 L429 S436	K428-S432 PolarHBondContact O-N 3Å; K428-S432 PolarHBondContact O-OG 3.22Å; K428-S432 VanDerWaalsContact O-OG 3.05Å; L429-S432 PolarHBondContact O-N 3.03Å; L429-S432 PolarHBondContact O-OG 3.12Å; S432-S436 PolarHBondContact O-OG 3.2Å
433	D	95.2	Very high	96.6	Very high	64 Å²	64	53.6 Å²	53.6	34%	0.342	27%	0.269	S	S	.	.	I	π-helix	trans	-109.2	-75.7	-174.2	180	41.5	0	0	0	113.3	L429 Y435 S436 R437	L429-D433 PolarHBondContact O-N 3.42Å; D433-Y435 PolarHBondContact O-N 3.05Å; D433-S436 WeakPolarHBondContact O-CB 3.33Å; D433-S436 PolarHBondContact O-N 3.38Å; D433-R437 PolarHBondContact O-N 2.81Å; D433-R437 IonicContact OD1-CZ 3.21Å; D433-R437 IonicContact OD1-NE 3.71Å; D433-R437 PolarHBondContact OD1-NE 2.82Å; D433-R437 IonicContact OD1-NH2 2.85Å; D433-R437 IonicContact OD2-CZ 2.85Å; D433-R437 IonicContact OD2-NE 2.73Å; D433-R437 PolarHBondContact OD2-NE 3.16Å; D433-R437 IonicContact OD2-NH2 3.62Å; D433-R437 PolarHBondContact OD2-NH2 3.26Å
434	S	96.6	Very high	96.5	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.021	27%	0.269	C	S	.	.	I	π-helix	trans	-61.7	-39.8	-166.3	-36.8	0	0	0	0	113.6	M430 R437 F438	M430-S434 PolarHBondContact O-N 2.81Å; S434-R437 PolarHBondContact O-N 3.15Å; S434-F438 WeakPolarHBondContact O-CB 3.39Å; S434-F438 PolarHBondContact O-N 2.85Å
435	Y	98.1	Very high	96.5	Very high	25 Å²	25	52.3 Å²	52.3	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-44.4	174.9	167.9	-102.5	0	0	0	111.9	W330 A331 G333 I334 V337 M430 D433 R437 F438 I439	W330-Y435 PolarHBondContact O-OH 2.62Å; A331-Y435 WeakPolarHBondContact CA-OH 3.31Å; A331-Y435 PolarHBondContact O-OH 3Å; G333-Y435 VanDerWaalsContact C-CZ 3.41Å; G333-Y435 VanDerWaalsContact CA-OH 3.23Å; G333-Y435 WeakPolarHBondContact CA-OH 3.47Å; G333-Y435 PolarHBondContact N-OH 3.41Å; G333-Y435 VanDerWaalsContact N-OH 3.12Å; I334-Y435 HydrophobicContact CB-CD1 4.17Å; I334-Y435 HydrophobicContact CB-CD2 3.81Å; I334-Y435 HydrophobicContact CB-CE2 4.28Å; I334-Y435 HydrophobicContact CB-CG 3.75Å; I334-Y435 HydrophobicContact CG1-CD2 4.04Å; I334-Y435 HydrophobicContact CG1-CG 4.1Å; V337-Y435 HydrophobicContact CG2-CD2 4.13Å; V337-Y435 HydrophobicContact CG2-CE2 3.72Å; M430-Y435 VanDerWaalsContact O-CB 3.26Å; M430-Y435 WeakPolarHBondContact O-CB 3.15Å; M430-Y435 PolarHBondContact O-N 3.22Å; D433-Y435 PolarHBondContact O-N 3.05Å; Y435-R437 PolarHBondContact O-N 3.01Å; Y435-F438 WeakPolarHBondContact O-CB 3.48Å; Y435-F438 PolarHBondContact O-N 2.95Å; Y435-F438 VanDerWaalsContact O-N 3.16Å; Y435-I439 HydrophobicContact CD2-CG1 4.07Å; Y435-I439 HydrophobicContact CE1-CG1 4.23Å; Y435-I439 HydrophobicContact CE2-CD1 3.77Å; Y435-I439 HydrophobicContact CE2-CG1 3.5Å; Y435-I439 PolarHBondContact O-N 3.03Å
436	S	96.8	Very high	96.3	Very high	37 Å²	37	55.9 Å²	55.9	26%	0.259	28%	0.28	S	S	.	.	H	α-helix	trans	-60.5	-34.7	177.2	-59	0	0	0	0	111.6	S432 D433 R440	S432-S436 PolarHBondContact O-OG 3.2Å; D433-S436 WeakPolarHBondContact O-CB 3.33Å; D433-S436 PolarHBondContact O-N 3.38Å; S436-R440 PolarHBondContact O-NE 3.31Å; S436-R440 PolarHBondContact O-NH2 3.09Å
437	R	97.6	Very high	96.1	Very high	84 Å²	84	58 Å²	58	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-74.3	-41.4	173.9	-68.8	-168.7	-80.2	130.4	0.6	111.9	F350 E354 D433 S434 Y435 I439 R440 S441	F350-R437 HydrophobicContact CE1-CB 4.33Å; F350-R437 HydrophobicContact CZ-CB 3.96Å; E354-R437 IonicContact OE1-NH1 2.65Å; E354-R437 PolarHBondContact OE1-NH1 2.82Å; E354-R437 VanDerWaalsContact OE1-NH1 3.11Å; E354-R437 IonicContact OE2-CZ 3.26Å; E354-R437 IonicContact OE2-NH1 3.82Å; E354-R437 PolarHBondContact OE2-NH1 2.82Å; E354-R437 IonicContact OE2-NH2 2.95Å; D433-R437 PolarHBondContact O-N 2.81Å; D433-R437 IonicContact OD1-CZ 3.21Å; D433-R437 IonicContact OD1-NE 3.71Å; D433-R437 PolarHBondContact OD1-NE 2.82Å; D433-R437 IonicContact OD1-NH2 2.85Å; D433-R437 IonicContact OD2-CZ 2.85Å; D433-R437 IonicContact OD2-NE 2.73Å; D433-R437 PolarHBondContact OD2-NE 3.16Å; D433-R437 IonicContact OD2-NH2 3.62Å; D433-R437 PolarHBondContact OD2-NH2 3.26Å; S434-R437 PolarHBondContact O-N 3.15Å; Y435-R437 PolarHBondContact O-N 3.01Å; R437-I439 PolarHBondContact O-N 3.09Å; R437-R440 CarbonylContact O-C 3.21Å; R437-R440 PolarHBondContact O-N 3.29Å; R437-R440 VanDerWaalsContact O-N 3.15Å; R437-S441 PolarHBondContact O-N 3.4Å
438	F	98.1	Very high	95.9	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-50.3	176.5	171.3	-113.9	0	0	0	112.9	V337 Q346 F347 F350 S434 Y435 R440 S441 Y444	V337-F438 HydrophobicContact CG1-CE1 4.37Å; V337-F438 HydrophobicContact CG2-CE1 4.14Å; Q346-F438 HydrophobicContact CB-CE2 4.41Å; Q346-F438 HydrophobicContact CB-CZ 4.23Å; F347-F438 HydrophobicContact CB-CE1 4.41Å; F347-F438 HydrophobicContact CB-CZ 4.37Å; F347-F438 HydrophobicContact CD2-CB 3.68Å; F347-F438 AromaticContact CD2-CD1 3.86Å; F347-F438 HydrophobicContact CD2-CD1 3.86Å; F347-F438 AromaticContact CD2-CD2 3.97Å; F347-F438 HydrophobicContact CD2-CD2 3.97Å; F347-F438 HydrophobicContact CD2-CE1 4.49Å; F347-F438 AromaticContact CD2-CG 3.56Å; F347-F438 HydrophobicContact CD2-CG 3.56Å; F347-F438 HydrophobicContact CE2-CB 3.72Å; F347-F438 HydrophobicContact CE2-CD1 4.5Å; F347-F438 HydrophobicContact CE2-CG 4.12Å; F347-F438 HydrophobicContact CG-CD1 4.49Å; F350-F438 HydrophobicContact CB-CD2 3.71Å; F350-F438 HydrophobicContact CB-CE2 4.19Å; F350-F438 HydrophobicContact CD1-CB 3.72Å; F350-F438 AromaticContact CD1-CD2 3.94Å; F350-F438 HydrophobicContact CD1-CD2 3.94Å; F350-F438 HydrophobicContact CD1-CG 4.28Å; F350-F438 HydrophobicContact CD2-CD2 4.36Å; F350-F438 HydrophobicContact CE1-CB 3.82Å; F350-F438 HydrophobicContact CG-CB 4.3Å; F350-F438 AromaticContact CG-CD2 3.73Å; F350-F438 HydrophobicContact CG-CD2 3.73Å; F350-F438 HydrophobicContact CG-CG 4.5Å; F350-F438 HydrophobicContact CZ-CB 4.46Å; S434-F438 WeakPolarHBondContact O-CB 3.39Å; S434-F438 PolarHBondContact O-N 2.85Å; Y435-F438 WeakPolarHBondContact O-CB 3.48Å; Y435-F438 PolarHBondContact O-N 2.95Å; Y435-F438 VanDerWaalsContact O-N 3.16Å; F438-R440 PolarHBondContact O-N 2.72Å; F438-S441 VanDerWaalsContact O-CB 3.25Å; F438-S441 WeakPolarHBondContact O-CB 3.12Å; F438-S441 PolarHBondContact O-N 2.96Å; F438-S441 PolarHBondContact O-OG 2.86Å; F438-Y444 HydrophobicContact CE1-CD2 4.16Å; F438-Y444 HydrophobicContact CZ-CD2 4.21Å; F438-Y444 VanDerWaalsContact O-CB 3.26Å; F438-Y444 WeakPolarHBondContact O-CB 3.33Å
439	I	97.7	Very high	95.5	Very high	28 Å²	28	57.9 Å²	57.9	14%	0.144	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-24.8	-179.4	-61	-59.5	0	0	0	112.4	A331 Y435 R437 Y444 Q445	A331-I439 HydrophobicContact CB-CD1 4.29Å; A331-I439 HydrophobicContact CB-CG2 3.97Å; Y435-I439 HydrophobicContact CD2-CG1 4.07Å; Y435-I439 HydrophobicContact CE1-CG1 4.23Å; Y435-I439 HydrophobicContact CE2-CD1 3.77Å; Y435-I439 HydrophobicContact CE2-CG1 3.5Å; Y435-I439 PolarHBondContact O-N 3.03Å; R437-I439 PolarHBondContact O-N 3.09Å; I439-Y444 HydrophobicContact CD1-CD2 3.96Å; I439-Y444 HydrophobicContact CD1-CE1 4.42Å; I439-Y444 HydrophobicContact CD1-CE2 3.86Å; I439-Y444 HydrophobicContact CD1-CG 4.3Å; I439-Y444 HydrophobicContact CG2-CD1 4.24Å; I439-Y444 HydrophobicContact CG2-CE1 4.03Å; I439-Y444 WeakPolarHBondContact O-CD1 3.48Å; I439-Q445 PolarHBondContact O-NE2 3.29Å; I439-Q445 VanDerWaalsContact O-NE2 3.12Å
440	R	96.8	Very high	94.4	Very high	182 Å²	182	57.9 Å²	57.9	69%	0.687	30%	0.303	S	S	*	.	H	α-helix	trans	-89.5	-8.1	174.9	-71.3	-178.2	-78.1	177.7	-2.1	113.6	S436 R437 F438	S436-R440 PolarHBondContact O-NE 3.31Å; S436-R440 PolarHBondContact O-NH2 3.09Å; R437-R440 CarbonylContact O-C 3.21Å; R437-R440 PolarHBondContact O-N 3.29Å; R437-R440 VanDerWaalsContact O-N 3.15Å; F438-R440 PolarHBondContact O-N 2.72Å
441	S	96.9	Very high	92.5	Very high	16 Å²	16	64 Å²	64	11%	0.112	33%	0.33	C	S	.	.	S	Bend	trans	-70.8	152.6	-176.9	74.2	0	0	0	0	112.1	R437 F438 A443 Y444 Q445	R437-S441 PolarHBondContact O-N 3.4Å; F438-S441 VanDerWaalsContact O-CB 3.25Å; F438-S441 WeakPolarHBondContact O-CB 3.12Å; F438-S441 PolarHBondContact O-N 2.96Å; F438-S441 PolarHBondContact O-OG 2.86Å; S441-A443 PolarHBondContact O-N 2.8Å; S441-Y444 PolarHBondContact O-N 3.25Å; S441-Y444 PolarHBondContact OG-N 3.33Å; S441-Q445 WeakPolarHBondContact O-CG 3.38Å; S441-Q445 PolarHBondContact O-N 2.99Å
442	S	95.4	Very high	90.3	Very high	85 Å²	85	66.7 Å²	66.7	59%	0.594	34%	0.342	S	S	*	.	H	α-helix	trans	-58.1	-37.5	172.2	51.8	0	0	0	0	111.8	Y444 Q445 E446	S442-Y444 PolarHBondContact O-N 3.22Å; S442-Q445 PolarHBondContact O-N 3.35Å; S442-Q445 VanDerWaalsContact O-N 3.17Å; S442-E446 WeakPolarHBondContact O-CB 3.49Å; S442-E446 VanDerWaalsContact O-CG 3.31Å; S442-E446 WeakPolarHBondContact O-CG 3.41Å; S442-E446 PolarHBondContact O-N 3.16Å
443	A	93.8	Very high	87.8	Confident	41 Å²	41	70.9 Å²	70.9	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-56.9	-47.2	178.6	0	0	0	0	0	112.5	S441 L447	S441-A443 PolarHBondContact O-N 2.8Å; A443-L447 WeakPolarHBondContact O-CG 3.21Å; A443-L447 PolarHBondContact O-N 2.82Å
444	Y	96.5	Very high	85.3	Confident	5 Å²	5	75.4 Å²	75.4	2%	0.02	37%	0.366	C	S	.	.	H	α-helix	trans	-66.5	-42.9	175.6	175.9	-97.5	0	0	0	112	V327 W330 F438 I439 S441 S442 E446 L447 L448	V327-Y444 HydrophobicContact CG1-CD2 4.21Å; V327-Y444 HydrophobicContact CG1-CE2 3.61Å; V327-Y444 WeakPolarHBondContact O-CE2 3.43Å; V327-Y444 PolarHBondContact O-OH 3.33Å; W330-Y444 HydrophobicContact CB-CE2 4.24Å; W330-Y444 HydrophobicContact CE3-CD2 4.32Å; W330-Y444 HydrophobicContact CE3-CE2 4.11Å; F438-Y444 HydrophobicContact CE1-CD2 4.16Å; F438-Y444 HydrophobicContact CZ-CD2 4.21Å; F438-Y444 VanDerWaalsContact O-CB 3.26Å; F438-Y444 WeakPolarHBondContact O-CB 3.33Å; I439-Y444 HydrophobicContact CD1-CD2 3.96Å; I439-Y444 HydrophobicContact CD1-CE1 4.42Å; I439-Y444 HydrophobicContact CD1-CE2 3.86Å; I439-Y444 HydrophobicContact CD1-CG 4.3Å; I439-Y444 HydrophobicContact CG2-CD1 4.24Å; I439-Y444 HydrophobicContact CG2-CE1 4.03Å; I439-Y444 WeakPolarHBondContact O-CD1 3.48Å; S441-Y444 PolarHBondContact O-N 3.25Å; S441-Y444 PolarHBondContact OG-N 3.33Å; S442-Y444 PolarHBondContact O-N 3.22Å; Y444-E446 VanDerWaalsContact C-N 3.29Å; Y444-E446 PolarHBondContact O-N 3.4Å; Y444-L447 PolarHBondContact O-N 2.84Å; Y444-L448 HydrophobicContact CE1-CD2 4.2Å; Y444-L448 PolarHBondContact O-N 3.25Å
445	Q	95.6	Very high	82.6	Confident	71 Å²	71	79.7 Å²	79.7	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-63.4	-35.6	-179.9	-64.1	-60	-39.4	0	0	112.2	I439 S441 S442 L448 Q449	I439-Q445 PolarHBondContact O-NE2 3.29Å; I439-Q445 VanDerWaalsContact O-NE2 3.12Å; S441-Q445 WeakPolarHBondContact O-CG 3.38Å; S441-Q445 PolarHBondContact O-N 2.99Å; S442-Q445 PolarHBondContact O-N 3.35Å; S442-Q445 VanDerWaalsContact O-N 3.17Å; Q445-L448 PolarHBondContact O-N 3.01Å; Q445-Q449 WeakPolarHBondContact O-CB 3.2Å; Q445-Q449 WeakPolarHBondContact O-CG 3.42Å; Q445-Q449 PolarHBondContact O-N 3.48Å; Q445-Q449 VanDerWaalsContact O-N 3.09Å
446	E	93.7	Very high	79.8	Confident	131 Å²	131	87 Å²	87	61%	0.612	43%	0.428	S	S	*	.	H	α-helix	trans	-65.4	-43.5	174.3	-75.4	173.1	-161.6	0	0	112	S442 Y444 L448 Q449 A450	S442-E446 WeakPolarHBondContact O-CB 3.49Å; S442-E446 VanDerWaalsContact O-CG 3.31Å; S442-E446 WeakPolarHBondContact O-CG 3.41Å; S442-E446 PolarHBondContact O-N 3.16Å; Y444-E446 VanDerWaalsContact C-N 3.29Å; Y444-E446 PolarHBondContact O-N 3.4Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 3.2Å; E446-Q449 CarbonylContact O-C 3.57Å; E446-Q449 PolarHBondContact O-N 3.09Å; E446-Q449 VanDerWaalsContact O-N 3.14Å; E446-A450 PolarHBondContact O-N 3.1Å
447	L	93.3	Very high	77	Confident	45 Å²	45	92.1 Å²	92.1	24%	0.236	45%	0.453	C	S	.	.	H	α-helix	trans	-61.5	-41.6	174.9	-69.6	171.9	0	0	0	111.8	V327 W330 Q346 A443 Y444 Q449 A450	V327-L447 HydrophobicContact CG1-CB 4.04Å; W330-L447 HydrophobicContact CZ3-CD1 4.06Å; Q346-L447 HydrophobicContact CB-CD1 4.18Å; Q346-L447 HydrophobicContact CG-CD1 3.78Å; A443-L447 WeakPolarHBondContact O-CG 3.21Å; A443-L447 PolarHBondContact O-N 2.82Å; Y444-L447 PolarHBondContact O-N 2.84Å; L447-Q449 PolarHBondContact O-N 2.9Å; L447-A450 PolarHBondContact O-N 2.95Å
448	L	92.8	Very high	74.3	Confident	41 Å²	41	94.7 Å²	94.7	22%	0.215	47%	0.472	C	S	.	.	H	α-helix	trans	-66.1	-27.3	177.3	-169.7	65.1	0	0	0	112.5	Q324 V327 K328 Y444 Q445 E446	Q324-L448 HydrophobicContact CG-CD1 4.07Å; Q324-L448 PolarHBondContact NE2-O 3Å; V327-L448 HydrophobicContact CG1-CB 4.32Å; V327-L448 HydrophobicContact CG1-CD1 4.27Å; K328-L448 HydrophobicContact CB-CD1 4.08Å; Y444-L448 HydrophobicContact CE1-CD2 4.2Å; Y444-L448 PolarHBondContact O-N 3.25Å; Q445-L448 PolarHBondContact O-N 3.01Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 3.2Å
449	Q	88.3	Confident	71.3	Confident	115 Å²	115	107.8 Å²	107.8	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-93.8	-13.8	-179.6	-70.3	176.9	30.5	0	0	114.4	Q445 E446 L447 K451 K452	Q445-Q449 WeakPolarHBondContact O-CB 3.2Å; Q445-Q449 WeakPolarHBondContact O-CG 3.42Å; Q445-Q449 PolarHBondContact O-N 3.48Å; Q445-Q449 VanDerWaalsContact O-N 3.09Å; E446-Q449 CarbonylContact O-C 3.57Å; E446-Q449 PolarHBondContact O-N 3.09Å; E446-Q449 VanDerWaalsContact O-N 3.14Å; L447-Q449 PolarHBondContact O-N 2.9Å; Q449-K451 PolarHBondContact O-N 2.78Å; Q449-K452 WeakPolarHBondContact O-CB 3.37Å; Q449-K452 PolarHBondContact O-N 3.14Å
450	A	71.4	Confident	70	Confident	59 Å²	59	111.8 Å²	111.8	49%	0.488	55%	0.549	S	S	.	.	H	α-helix	trans	-56.8	-26.1	-169.2	0	0	0	0	0	114.8	E446 L447	E446-A450 PolarHBondContact O-N 3.1Å; L447-A450 PolarHBondContact O-N 2.95Å
451	K	57.3	Low	68.5	Low	128 Å²	128	108.1 Å²	108.1	56%	0.557	54%	0.542	S	S	*	.	H	α-helix	trans	-76.8	-23	172.2	-89.7	-166.5	173.1	-171.4	0	114.7	Q449 K453	Q449-K451 PolarHBondContact O-N 2.78Å; K451-K453 VanDerWaalsContact C-N 3.33Å; K451-K453 PolarHBondContact O-N 3.2Å
452	K	48.7	Very low	67	Low	155 Å²	155	113.2 Å²	113.2	67%	0.674	57%	0.565	S	S	*	*	H	α-helix	trans	-68.8	-28.6	177.2	-91.5	-176	176	176	0	113.1	Q449	Q449-K452 WeakPolarHBondContact O-CB 3.37Å; Q449-K452 PolarHBondContact O-N 3.14Å
453	K	42.5	Very low	65.3	Low	171 Å²	171	114.9 Å²	114.9	74%	0.743	56%	0.564	S	S	*	*	H	α-helix	trans	-78.1	-32.1	-177.2	-92.4	-178.4	175.9	175	0	114.1	K451 S455	K451-K453 VanDerWaalsContact C-N 3.33Å; K451-K453 PolarHBondContact O-N 3.2Å; K453-S455 VanDerWaalsContact C-N 3.31Å; K453-S455 PolarHBondContact O-N 2.98Å
454	K	42.6	Very low	63.5	Low	160 Å²	160	119.5 Å²	119.5	70%	0.696	58%	0.578	S	S	*	*	H	α-helix	trans	-71.6	-22.6	179.2	-77.1	-174.7	177.3	176.7	0	113.4
455	S	40.3	Very low	61.3	Low	93 Å²	93	127.1 Å²	127.1	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-85.1	-20.3	178.7	-169.2	0	0	0	0	114	K453	K453-S455 VanDerWaalsContact C-N 3.31Å; K453-S455 PolarHBondContact O-N 2.98Å
456	K	38.9	Very low	58.9	Low	178 Å²	178	131.1 Å²	131.1	77%	0.774	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-5.5	-179.2	-78.6	-168.5	174.8	-171.4	0	115.4
457	N	37.9	Very low	56.2	Low	144 Å²	144	131.2 Å²	131.2	77%	0.77	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	13.7	-179	-71	-4.1	0	0	0	113.6
458	L	41.2	Very low	53.1	Low	139 Å²	139	138.3 Å²	138.3	73%	0.728	67%	0.671	S	S	*	*			trans	-117.3	74	165.5	-85.9	99.9	0	0	0	109
459	F	35.3	Very low	49.5	Very low	277 Å²	277	147.2 Å²	147.2	100%	1.215	71%	0.712	S	S	*	*			trans	-156.9	0	151.7	-84.6	-65.7	0	0	0	109

Retrieved 459 of 459 residues in 387 ms (Link to these results)

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