A0A096NP34_PAPAN Loading...

Delayed-rectifier potassium channel regulatory subunit KCNS3

Potassium channel regulatory subunit that modulates the delayed rectifier potassium channel activity of KCNB1 by namely slowing down the deactivation and inactivation time constants. While it does not form functional channel on its own, it can form functional heterotetrameric channels with KCNB1.

AlphaFold DB (F7HGM9), UniProt , Accession A0A096NP34, Species PAPAN (Papio anubis, Olive baboon), Gene KCNS3, Length 491 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	40.6	Very low	226 Å²	226	156 Å²	156	100%	1.113	78%	0.779	S	S	*	*				0	136.1	0	-69.9	170.9	-176.7	0	0	107.2	F3	M1-F3 PolarHBondContact O-N 2.98Å
2	V	29.7	Very low	41.5	Very low	148 Å²	148	155.6 Å²	155.6	90%	0.897	77%	0.773	S	S	*	*			trans	-80	108.5	-179.6	-179.9	0	0	0	0	108.2
3	F	33.3	Very low	42.5	Very low	209 Å²	209	154.7 Å²	154.7	92%	0.917	77%	0.773	S	S	*	*			trans	-85.2	107.4	168.6	-93.6	-87.9	0	0	0	108.2	M1	M1-F3 PolarHBondContact O-N 2.98Å
4	G	41.5	Very low	43.6	Very low	52 Å²	52	155.7 Å²	155.7	54%	0.536	77%	0.774	S	S	.	*			trans	-179.7	32.4	-172.1	0	0	0	0	0	116.7
5	E	36.4	Very low	45.8	Very low	181 Å²	181	152 Å²	152	85%	0.846	75%	0.753	S	S	*	*			trans	-115.3	114.5	168	-71.5	-167.3	150.7	0	0	110.4
6	F	48.9	Very low	48.3	Very low	160 Å²	160	145.9 Å²	145.9	70%	0.702	72%	0.724	S	S	*	*			trans	-82.3	116.8	179.2	-63.8	-92.3	0	0	0	109.5	H8	F6-H8 VanDerWaalsContact C-N 3.31Å; F6-H8 PolarHBondContact O-N 2.84Å
7	F	42.2	Very low	50.7	Low	208 Å²	208	137.8 Å²	137.8	91%	0.912	68%	0.684	S	S	*	*			trans	-73.8	84.2	171.9	-84.5	-85.2	0	0	0	110.8	R9	F7-R9 PolarHBondContact O-N 3.38Å
8	H	44.2	Very low	53.1	Low	146 Å²	146	132.9 Å²	132.9	68%	0.676	66%	0.661	S	S	*	*			trans	-64.3	123.9	165.8	-80.1	-84.3	0	0	0	110.3	F6	F6-H8 VanDerWaalsContact C-N 3.31Å; F6-H8 PolarHBondContact O-N 2.84Å
9	R	45.6	Very low	55.3	Low	233 Å²	233	126 Å²	126	88%	0.879	63%	0.627	S	S	*	*			trans	-96.8	127.2	151.7	-75.4	-175.5	174.1	-176.4	-1.4	107.4	F7 G11	F7-R9 PolarHBondContact O-N 3.38Å; R9-G11 PolarHBondContact O-N 3.02Å
10	P	45.5	Very low	57.3	Low	128 Å²	128	120.5 Å²	120.5	83%	0.831	60%	0.599	S	S	*	*			trans	-76.2	108	173.7	29.5	-31.1	0	0	0	109.5
11	G	48.2	Very low	59.1	Low	25 Å²	25	114.7 Å²	114.7	26%	0.258	57%	0.571	S	S	.	*			trans	-70.5	170.2	155.4	0	0	0	0	0	110.4	R9	R9-G11 PolarHBondContact O-N 3.02Å
12	Q	51.8	Low	62	Low	151 Å²	151	105.5 Å²	105.5	71%	0.706	53%	0.534	S	S	*	.			trans	-75.7	145.2	171.2	-65.8	179.5	-3.4	0	0	109.1	E14 E15	Q12-E14 PolarHBondContact O-N 3.04Å; Q12-E15 PolarHBondContact O-N 3.24Å
13	D	54.8	Low	64.8	Low	144 Å²	144	101 Å²	101	77%	0.77	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-58.3	-19.3	-171.4	-69.9	-44.4	0	0	0	114.4	E15	D13-E15 VanDerWaalsContact C-N 3.33Å
14	E	57.6	Low	67.7	Low	169 Å²	169	93.4 Å²	93.4	79%	0.79	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.9	176.1	-61	-168.9	154.6	0	0	113.9	Q12	Q12-E14 PolarHBondContact O-N 3.04Å
15	E	75.9	Confident	70.2	Confident	100 Å²	100	96.9 Å²	96.9	47%	0.467	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-100.4	7	-179.9	-62.8	-174.5	142	0	0	113.3	Q12 D13 Q30	Q12-E15 PolarHBondContact O-N 3.24Å; D13-E15 VanDerWaalsContact C-N 3.33Å; E15-Q30 WeakPolarHBondContact O-CB 3.23Å; E15-Q30 VanDerWaalsContact O-CG 3.28Å; E15-Q30 WeakPolarHBondContact O-CG 3.09Å; E15-Q30 PolarHBondContact O-N 3.36Å
16	L	86.3	Confident	72.8	Confident	55 Å²	55	90.2 Å²	90.2	29%	0.288	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	147	179.2	-64.1	178.7	0	0	0	112.9	D29	L16-D29 HydrophobicContact CD2-CB 4.38Å
17	V	89.4	Confident	74.9	Confident	8 Å²	8	85.3 Å²	85.3	5%	0.048	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.8	178.6	169.4	0	0	0	0	108.8	L19 S27 V28 Q30 L33 L45 Y67	V17-L19 HydrophobicContact CG1-CD2 3.75Å; V17-L19 HydrophobicContact CG1-CG 4.19Å; V17-S27 CarbonylContact O-C 3.53Å; V17-S27 WeakPolarHBondContact O-CA 3.47Å; V17-V28 PolarHBondContact N-O 3.4Å; V17-V28 PolarHBondContact O-N 3.38Å; V17-Q30 HydrophobicContact CG2-CG 3.47Å; V17-Q30 VanDerWaalsContact CG2-CG 3.47Å; V17-L33 HydrophobicContact CG1-CD1 4.33Å; V17-L45 HydrophobicContact CG2-CD2 3.75Å; V17-Y67 HydrophobicContact CG1-CD2 3.81Å; V17-Y67 HydrophobicContact CG1-CE2 3.77Å
18	N	93.4	Very high	77.2	Confident	49 Å²	49	75.4 Å²	75.4	26%	0.262	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.7	178.6	-64.3	-35.7	0	0	0	109.7	S27 D64 E66 Y67	N18-S27 WeakPolarHBondContact OD1-CB 3.19Å; N18-S27 PolarHBondContact OD1-OG 3.39Å; N18-D64 PolarHBondContact ND2-O 3.3Å; N18-E66 HydrophobicContact CB-CB 4.16Å; N18-E66 HydrophobicContact CB-CG 4.35Å; N18-E66 WeakPolarHBondContact O-CA 3.38Å; N18-Y67 PolarHBondContact O-N 3.35Å
19	L	94.7	Very high	79.4	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.4	177.5	-56.9	177.6	0	0	0	109.1	V17 K25 Q26 V28 L41 Y67 F69 F76	V17-L19 HydrophobicContact CG1-CD2 3.75Å; V17-L19 HydrophobicContact CG1-CG 4.19Å; L19-K25 CarbonylContact O-C 3.54Å; L19-K25 VanDerWaalsContact O-CA 3.31Å; L19-K25 WeakPolarHBondContact O-CA 3.37Å; L19-Q26 PolarHBondContact N-O 2.61Å; L19-Q26 PolarHBondContact O-N 3.21Å; L19-V28 HydrophobicContact CD1-CB 4.49Å; L19-V28 HydrophobicContact CD1-CG2 3.98Å; L19-L41 HydrophobicContact CD1-CD1 3.8Å; L19-L41 HydrophobicContact CD1-CD2 4.13Å; L19-L41 HydrophobicContact CD2-CD2 3.98Å; L19-Y67 HydrophobicContact CD2-CD2 4.26Å; L19-F69 HydrophobicContact CD2-CE2 4.27Å; L19-F76 HydrophobicContact CD1-CZ 4.03Å
20	N	95.4	Very high	81.5	Confident	15 Å²	15	62 Å²	62	8%	0.08	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.8	174.5	176.5	1.8	0	0	0	109.5	G23 F24 K25 E66 Y67 Y68 F69	N20-G23 WeakPolarHBondContact OD1-CA 3.07Å; N20-G23 PolarHBondContact OD1-N 3.15Å; N20-F24 WeakPolarHBondContact CA-O 3.33Å; N20-K25 HydrophobicContact CB-CG 4.07Å; N20-K25 WeakPolarHBondContact ND2-CE 3.45Å; N20-E66 HydrophobicContact CB-CG 3.89Å; N20-E66 WeakPolarHBondContact CB-OE2 3.46Å; N20-E66 PolarHBondContact ND2-OE2 2.96Å; N20-Y67 PolarHBondContact N-O 3.36Å; N20-Y68 HydrophobicContact CB-CD2 4.18Å; N20-Y68 CarbonylContact O-C 3.26Å; N20-Y68 WeakPolarHBondContact O-CA 3.25Å; N20-Y68 WeakPolarHBondContact O-CD2 3.17Å; N20-F69 PolarHBondContact O-N 2.94Å
21	V	95.8	Very high	83.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.7	-176.9	-174.5	0	0	0	0	109	G23 F24 F69 R71 P73 F76 W106	V21-G23 PolarHBondContact O-N 2.78Å; V21-G23 VanDerWaalsContact O-N 3.14Å; V21-F24 PolarHBondContact N-O 3.05Å; V21-F24 WeakPolarHBondContact O-CB 3.29Å; V21-F24 PolarHBondContact O-N 3.39Å; V21-F69 WeakPolarHBondContact CA-O 3.49Å; V21-F69 HydrophobicContact CG1-CB 4.3Å; V21-F69 HydrophobicContact CG2-CB 4.25Å; V21-F69 HydrophobicContact CG2-CD2 3.87Å; V21-F69 HydrophobicContact CG2-CG 4.38Å; V21-R71 HydrophobicContact CG1-CB 3.76Å; V21-P73 WeakPolarHBondContact O-CB 3.46Å; V21-F76 HydrophobicContact CB-CB 4.21Å; V21-F76 HydrophobicContact CB-CD1 3.96Å; V21-F76 HydrophobicContact CB-CD2 4.37Å; V21-F76 HydrophobicContact CB-CE1 4.46Å; V21-F76 HydrophobicContact CB-CG 3.91Å; V21-F76 HydrophobicContact CG1-CB 3.85Å; V21-F76 HydrophobicContact CG1-CD1 4.48Å; V21-F76 HydrophobicContact CG1-CD2 4.2Å; V21-F76 HydrophobicContact CG1-CG 3.92Å; V21-F76 HydrophobicContact CG2-CD1 3.67Å; V21-F76 HydrophobicContact CG2-CD2 3.8Å; V21-F76 HydrophobicContact CG2-CE1 3.71Å; V21-F76 HydrophobicContact CG2-CE2 3.83Å; V21-F76 HydrophobicContact CG2-CG 3.71Å; V21-F76 HydrophobicContact CG2-CZ 3.79Å; V21-W106 HydrophobicContact CG1-CZ2 4.11Å; V21-W106 HydrophobicContact CG2-CH2 4.03Å; V21-W106 HydrophobicContact CG2-CZ2 4.32Å
22	G	91	Very high	85.6	Confident	32 Å²	32	59.3 Å²	59.3	33%	0.33	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.7	-178.4	0	0	0	0	0	114.1	F69 R71	G22-F69 PolarHBondContact N-O 2.64Å; G22-R71 WeakPolarHBondContact CA-O 3.37Å; G22-R71 PolarHBondContact N-O 2.83Å
23	G	89.4	Confident	87.5	Confident	55 Å²	55	52.1 Å²	52.1	57%	0.567	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-8	-175	0	0	0	0	0	115.1	N20 V21 K25	N20-G23 WeakPolarHBondContact OD1-CA 3.07Å; N20-G23 PolarHBondContact OD1-N 3.15Å; V21-G23 PolarHBondContact O-N 2.78Å; V21-G23 VanDerWaalsContact O-N 3.14Å; G23-K25 PolarHBondContact O-N 2.91Å
24	F	93.3	Very high	89.2	Confident	48 Å²	48	49.4 Å²	49.4	21%	0.211	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	100.7	171.2	178.6	-101.8	0	0	0	110	N20 V21 Q26 P73 F76	N20-F24 WeakPolarHBondContact CA-O 3.33Å; V21-F24 PolarHBondContact N-O 3.05Å; V21-F24 WeakPolarHBondContact O-CB 3.29Å; V21-F24 PolarHBondContact O-N 3.39Å; F24-Q26 HydrophobicContact CE1-CB 4Å; F24-Q26 HydrophobicContact CZ-CB 4.49Å; F24-P73 HydrophobicContact CB-CB 3.56Å; F24-P73 HydrophobicContact CG-CB 4.5Å; F24-F76 AromaticContact CD1-CD1 3.95Å; F24-F76 HydrophobicContact CD1-CD1 3.95Å; F24-F76 HydrophobicContact CE1-CD1 4.18Å
25	K	93.6	Very high	90.8	Very high	126 Å²	126	47.6 Å²	47.6	55%	0.548	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.3	177.9	-58.6	-159.6	178.9	-146.7	0	111.8	L19 N20 G23 E66	L19-K25 CarbonylContact O-C 3.54Å; L19-K25 VanDerWaalsContact O-CA 3.31Å; L19-K25 WeakPolarHBondContact O-CA 3.37Å; N20-K25 HydrophobicContact CB-CG 4.07Å; N20-K25 WeakPolarHBondContact ND2-CE 3.45Å; G23-K25 PolarHBondContact O-N 2.91Å; K25-E66 VanDerWaalsContact CE-OE2 3.3Å; K25-E66 WeakPolarHBondContact CE-OE2 3.23Å; K25-E66 IonicContact NZ-OE1 2.84Å; K25-E66 PolarHBondContact NZ-OE1 3.17Å; K25-E66 IonicContact NZ-OE2 3.81Å; K25-E66 PolarHBondContact NZ-OE2 3.19Å
26	Q	92.4	Very high	91.7	Very high	41 Å²	41	44.5 Å²	44.5	19%	0.192	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	128.5	177.6	-177.6	67	55.9	0	0	110.8	L19 F24 V28 L80	L19-Q26 PolarHBondContact N-O 2.61Å; L19-Q26 PolarHBondContact O-N 3.21Å; F24-Q26 HydrophobicContact CE1-CB 4Å; F24-Q26 HydrophobicContact CZ-CB 4.49Å; Q26-V28 HydrophobicContact CG-CG2 3.82Å; Q26-L80 HydrophobicContact CG-CD2 3.84Å
27	S	92.4	Very high	92	Very high	56 Å²	56	44.7 Å²	44.7	39%	0.392	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.8	167.3	-50.8	0	0	0	0	109.9	V17 N18	V17-S27 CarbonylContact O-C 3.53Å; V17-S27 WeakPolarHBondContact O-CA 3.47Å; N18-S27 WeakPolarHBondContact OD1-CB 3.19Å; N18-S27 PolarHBondContact OD1-OG 3.39Å
28	V	90.7	Very high	92	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.2	-176.8	-172.7	0	0	0	0	109.6	V17 L19 Q26 T32 L33 L80	V17-V28 PolarHBondContact N-O 3.4Å; V17-V28 PolarHBondContact O-N 3.38Å; L19-V28 HydrophobicContact CD1-CB 4.49Å; L19-V28 HydrophobicContact CD1-CG2 3.98Å; Q26-V28 HydrophobicContact CG-CG2 3.82Å; V28-T32 HydrophobicContact CG1-CG2 4.1Å; V28-L33 HydrophobicContact CG1-CD2 4.02Å; V28-L33 HydrophobicContact CG1-CG 4.15Å; V28-L80 HydrophobicContact CG1-CD1 4.38Å; V28-L80 HydrophobicContact CG2-CD1 3.69Å
29	D	90.4	Very high	92.1	Very high	29 Å²	29	49.7 Å²	49.7	16%	0.155	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.6	178.4	-173.8	-66.6	0	0	0	111.8	L16 S31 T32 L33	L16-D29 HydrophobicContact CD2-CB 4.38Å; D29-S31 VanDerWaalsContact C-N 3.26Å; D29-S31 PolarHBondContact O-N 3.15Å; D29-S31 WeakPolarHBondContact OD1-CA 3.2Å; D29-S31 WeakPolarHBondContact OD1-CB 3.25Å; D29-S31 PolarHBondContact OD1-N 2.79Å; D29-S31 PolarHBondContact OD1-OG 3.01Å; D29-T32 VanDerWaalsContact O-CB 3.27Å; D29-T32 WeakPolarHBondContact O-CB 3.09Å; D29-T32 PolarHBondContact O-N 3.22Å; D29-L33 PolarHBondContact O-N 2.83Å
30	Q	89.6	Confident	92.1	Very high	69 Å²	69	52.2 Å²	52.2	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-55.6	-39.5	179.6	-75.8	174.4	39.8	0	0	112.6	E15 V17 T32 L33 L34 L45	E15-Q30 WeakPolarHBondContact O-CB 3.23Å; E15-Q30 VanDerWaalsContact O-CG 3.28Å; E15-Q30 WeakPolarHBondContact O-CG 3.09Å; E15-Q30 PolarHBondContact O-N 3.36Å; V17-Q30 HydrophobicContact CG2-CG 3.47Å; V17-Q30 VanDerWaalsContact CG2-CG 3.47Å; Q30-T32 PolarHBondContact O-N 3.34Å; Q30-L33 PolarHBondContact O-N 2.76Å; Q30-L34 WeakPolarHBondContact O-CB 3.45Å; Q30-L34 VanDerWaalsContact O-CG 3.3Å; Q30-L34 WeakPolarHBondContact O-CG 3.5Å; Q30-L34 PolarHBondContact O-N 2.81Å; Q30-L45 HydrophobicContact CB-CD1 3.99Å; Q30-L45 HydrophobicContact CG-CD1 4.06Å; Q30-L45 HydrophobicContact CG-CD2 4.2Å
31	S	89.5	Confident	92	Very high	74 Å²	74	51.5 Å²	51.5	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-29.2	178.3	75.2	0	0	0	0	112.3	D29 R35	D29-S31 VanDerWaalsContact C-N 3.26Å; D29-S31 PolarHBondContact O-N 3.15Å; D29-S31 WeakPolarHBondContact OD1-CA 3.2Å; D29-S31 WeakPolarHBondContact OD1-CB 3.25Å; D29-S31 PolarHBondContact OD1-N 2.79Å; D29-S31 PolarHBondContact OD1-OG 3.01Å; S31-R35 WeakPolarHBondContact O-CG 3.36Å; S31-R35 PolarHBondContact O-N 3.15Å
32	T	90.6	Very high	91.8	Very high	21 Å²	21	51.5 Å²	51.5	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-40.6	177.5	-65.8	0	0	0	0	111.5	V28 D29 Q30 R35 Y84	V28-T32 HydrophobicContact CG1-CG2 4.1Å; D29-T32 VanDerWaalsContact O-CB 3.27Å; D29-T32 WeakPolarHBondContact O-CB 3.09Å; D29-T32 PolarHBondContact O-N 3.22Å; Q30-T32 PolarHBondContact O-N 3.34Å; T32-R35 WeakPolarHBondContact O-CB 3.42Å; T32-Y84 HydrophobicContact CG2-CD1 3.75Å; T32-Y84 HydrophobicContact CG2-CE1 3.79Å
33	L	91.7	Very high	91.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-73.5	-38.9	177	-58.2	-179.3	0	0	0	111.6	V17 V28 D29 Q30 R35 F36 L41 L45 Y83	V17-L33 HydrophobicContact CG1-CD1 4.33Å; V28-L33 HydrophobicContact CG1-CD2 4.02Å; V28-L33 HydrophobicContact CG1-CG 4.15Å; D29-L33 PolarHBondContact O-N 2.83Å; Q30-L33 PolarHBondContact O-N 2.76Å; L33-R35 PolarHBondContact O-N 2.8Å; L33-R35 VanDerWaalsContact O-N 3.13Å; L33-F36 PolarHBondContact O-N 2.84Å; L33-F36 VanDerWaalsContact O-N 3.07Å; L33-L41 HydrophobicContact CD1-CB 4.29Å; L33-L41 HydrophobicContact CD2-CB 3.94Å; L33-L41 HydrophobicContact CD2-CD1 3.95Å; L33-L45 HydrophobicContact CB-CD1 3.77Å; L33-L45 HydrophobicContact CD1-CD1 4.21Å; L33-Y83 HydrophobicContact CD2-CD1 3.85Å; L33-Y83 HydrophobicContact CD2-CD2 4.38Å; L33-Y83 HydrophobicContact CD2-CE1 4.04Å; L33-Y83 HydrophobicContact CD2-CG 4.04Å
34	L	90.9	Very high	91.9	Very high	87 Å²	87	52.2 Å²	52.2	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-12.1	177.1	-71	173	0	0	0	114.4	Q30 F36 P37 L45	Q30-L34 WeakPolarHBondContact O-CB 3.45Å; Q30-L34 VanDerWaalsContact O-CG 3.3Å; Q30-L34 WeakPolarHBondContact O-CG 3.5Å; Q30-L34 PolarHBondContact O-N 2.81Å; L34-F36 PolarHBondContact O-N 3.41Å; L34-P37 WeakPolarHBondContact O-CD 3.41Å; L34-L45 HydrophobicContact CD2-CB 4.19Å; L34-L45 HydrophobicContact CD2-CD1 4.11Å; L34-L45 HydrophobicContact CG-CD1 3.85Å
35	R	91.2	Very high	91.6	Very high	130 Å²	130	51.9 Å²	51.9	49%	0.491	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.2	168.9	-67.6	174.6	70.9	-173.1	6.4	112.7	S31 T32 L33 Y83 Y84	S31-R35 WeakPolarHBondContact O-CG 3.36Å; S31-R35 PolarHBondContact O-N 3.15Å; T32-R35 WeakPolarHBondContact O-CB 3.42Å; L33-R35 PolarHBondContact O-N 2.8Å; L33-R35 VanDerWaalsContact O-N 3.13Å; R35-Y83 PolarHBondContact NH1-O 3.16Å; R35-Y84 PolarHBondContact NH1-O 3.41Å
36	F	93.8	Very high	91.2	Very high	36 Å²	36	49.7 Å²	49.7	16%	0.158	25%	0.254	C	S	.	.	S	Bend	trans	-132.1	65.4	-176	-60.3	-72.2	0	0	0	110.9	L33 L34 H38 T39 F82 Y83 F112	L33-F36 PolarHBondContact O-N 2.84Å; L33-F36 VanDerWaalsContact O-N 3.07Å; L34-F36 PolarHBondContact O-N 3.41Å; F36-H38 PolarHBondContact O-N 3.46Å; F36-T39 HydrophobicContact CB-CG2 3.73Å; F36-T39 WeakPolarHBondContact O-CB 3.5Å; F36-T39 WeakPolarHBondContact O-CG2 3.33Å; F36-T39 PolarHBondContact O-N 2.86Å; F36-T39 VanDerWaalsContact O-N 3.09Å; F36-T39 PolarHBondContact O-OG1 2.98Å; F36-F82 HydrophobicContact CB-CE1 4.25Å; F36-F82 HydrophobicContact CD1-CE1 4.11Å; F36-F82 AromaticContact CD1-CZ 3.62Å; F36-F82 HydrophobicContact CD1-CZ 3.62Å; F36-F82 HydrophobicContact CD2-CD1 4.45Å; F36-F82 AromaticContact CD2-CE1 3.69Å; F36-F82 HydrophobicContact CD2-CE1 3.69Å; F36-F82 AromaticContact CD2-CZ 3.91Å; F36-F82 HydrophobicContact CD2-CZ 3.91Å; F36-F82 HydrophobicContact CE1-CE1 4.42Å; F36-F82 HydrophobicContact CE1-CE2 4.2Å; F36-F82 AromaticContact CE1-CZ 3.66Å; F36-F82 HydrophobicContact CE1-CZ 3.66Å; F36-F82 HydrophobicContact CE2-CE1 4.03Å; F36-F82 HydrophobicContact CE2-CE2 4.44Å; F36-F82 AromaticContact CE2-CZ 3.94Å; F36-F82 HydrophobicContact CE2-CZ 3.94Å; F36-F82 AromaticContact CG-CE1 3.74Å; F36-F82 HydrophobicContact CG-CE1 3.74Å; F36-F82 AromaticContact CG-CZ 3.76Å; F36-F82 HydrophobicContact CG-CZ 3.76Å; F36-F82 HydrophobicContact CZ-CE1 4.39Å; F36-F82 HydrophobicContact CZ-CE2 4.13Å; F36-F82 AromaticContact CZ-CZ 3.82Å; F36-F82 HydrophobicContact CZ-CZ 3.82Å; F36-Y83 HydrophobicContact CB-CD1 4.37Å; F36-Y83 HydrophobicContact CB-CE1 4.12Å; F36-Y83 AromaticContact CD2-CD1 3.89Å; F36-Y83 HydrophobicContact CD2-CD1 3.89Å; F36-Y83 HydrophobicContact CD2-CE1 4.44Å; F36-F112 HydrophobicContact CE1-CE1 4.42Å
37	P	91.9	Very high	91	Very high	58 Å²	58	49.2 Å²	49.2	38%	0.377	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	-167	28.7	-36.4	0	0	0	114.2	L34	L34-P37 WeakPolarHBondContact O-CD 3.41Å
38	H	91.2	Very high	90.4	Very high	157 Å²	157	55.3 Å²	55.3	73%	0.727	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.5	178.3	-58.3	-55	0	0	0	114.2	F36 K43	F36-H38 PolarHBondContact O-N 3.46Å; H38-K43 WeakPolarHBondContact O-CE 3.1Å; H38-K43 PolarHBondContact O-NZ 3.29Å; H38-K43 VanDerWaalsContact O-NZ 3.16Å
39	T	94.3	Very high	90.3	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.037	29%	0.293	C	S	.	.	S	Bend	trans	-72.1	164.8	176.4	62.7	0	0	0	0	111.6	F36 L41 G42 K43 F82 Y83 W106 I108	F36-T39 HydrophobicContact CB-CG2 3.73Å; F36-T39 WeakPolarHBondContact O-CB 3.5Å; F36-T39 WeakPolarHBondContact O-CG2 3.33Å; F36-T39 PolarHBondContact O-N 2.86Å; F36-T39 VanDerWaalsContact O-N 3.09Å; F36-T39 PolarHBondContact O-OG1 2.98Å; T39-L41 PolarHBondContact O-N 3.14Å; T39-G42 PolarHBondContact O-N 2.82Å; T39-G42 PolarHBondContact OG1-N 2.88Å; T39-G42 VanDerWaalsContact OG1-N 3.16Å; T39-K43 WeakPolarHBondContact O-CG 3.41Å; T39-K43 PolarHBondContact O-N 2.76Å; T39-F82 HydrophobicContact CG2-CE1 4.36Å; T39-Y83 WeakPolarHBondContact CB-OH 3.03Å; T39-Y83 HydrophobicContact CG2-CE1 4.39Å; T39-Y83 WeakPolarHBondContact OG1-CE1 3.45Å; T39-Y83 PolarHBondContact OG1-OH 3.21Å; T39-W106 WeakPolarHBondContact CB-O 3.46Å; T39-I108 HydrophobicContact CG2-CG1 4.01Å
40	R	94.4	Very high	90	Very high	55 Å²	55	61.4 Å²	61.4	21%	0.208	31%	0.309	C	S	.	.	H	α-helix	trans	-57.6	-47.2	178.3	-177.6	177.4	-70.9	-96.3	-0.3	112	K43 L44 L56 Y105 W106	R40-K43 PolarHBondContact O-N 2.93Å; R40-L44 PolarHBondContact O-N 2.96Å; R40-L56 WeakPolarHBondContact CD-O 3.45Å; R40-L56 PolarHBondContact NH1-O 2.82Å; R40-Y105 PolarHBondContact NE-O 3.25Å; R40-Y105 PolarHBondContact NH2-O 3.25Å; R40-W106 HydrophobicContact CB-CE3 4.24Å; R40-W106 HydrophobicContact CG-CE3 4.39Å; R40-W106 PolarHBondContact N-O 3.21Å
41	L	93.7	Very high	89.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71	-33.2	179.2	-60.7	179	0	0	0	112.8	L19 L33 T39 K43 L44 F69 F76 Y83 W106	L19-L41 HydrophobicContact CD1-CD1 3.8Å; L19-L41 HydrophobicContact CD1-CD2 4.13Å; L19-L41 HydrophobicContact CD2-CD2 3.98Å; L33-L41 HydrophobicContact CD1-CB 4.29Å; L33-L41 HydrophobicContact CD2-CB 3.94Å; L33-L41 HydrophobicContact CD2-CD1 3.95Å; T39-L41 PolarHBondContact O-N 3.14Å; L41-K43 VanDerWaalsContact C-N 3.33Å; L41-L44 HydrophobicContact CD2-CD1 3.74Å; L41-F69 HydrophobicContact CD2-CE2 4.2Å; L41-F69 HydrophobicContact CD2-CZ 3.84Å; L41-F76 HydrophobicContact CD1-CE2 4.02Å; L41-F76 HydrophobicContact CD1-CZ 4.01Å; L41-Y83 HydrophobicContact CB-CE1 4.36Å; L41-Y83 WeakPolarHBondContact CB-OH 2.96Å; L41-Y83 HydrophobicContact CD1-CD2 4.46Å; L41-Y83 HydrophobicContact CD1-CE2 3.76Å; L41-W106 HydrophobicContact CD2-CE3 4.14Å; L41-W106 HydrophobicContact CD2-CZ3 3.63Å; L41-W106 HydrophobicContact CG-CE3 3.98Å; L41-W106 HydrophobicContact CG-CZ3 3.98Å
42	G	91.5	Very high	89.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-38.4	173	0	0	0	0	0	112.8	T39	T39-G42 PolarHBondContact O-N 2.82Å; T39-G42 PolarHBondContact OG1-N 2.88Å; T39-G42 VanDerWaalsContact OG1-N 3.16Å
43	K	92.1	Very high	89.6	Confident	96 Å²	96	62 Å²	62	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-68.1	-35.4	178.4	-75.2	168.1	175.1	162.4	0	113.7	H38 T39 R40 L41 L45 T46 C47 L56	H38-K43 WeakPolarHBondContact O-CE 3.1Å; H38-K43 PolarHBondContact O-NZ 3.29Å; H38-K43 VanDerWaalsContact O-NZ 3.16Å; T39-K43 WeakPolarHBondContact O-CG 3.41Å; T39-K43 PolarHBondContact O-N 2.76Å; R40-K43 PolarHBondContact O-N 2.93Å; L41-K43 VanDerWaalsContact C-N 3.33Å; K43-L45 PolarHBondContact O-N 3.1Å; K43-T46 WeakPolarHBondContact O-CA 3.12Å; K43-T46 PolarHBondContact O-N 2.99Å; K43-T46 PolarHBondContact O-OG1 3.11Å; K43-C47 PolarHBondContact O-N 3.44Å; K43-L56 HydrophobicContact CB-CD1 3.69Å
44	L	90.6	Very high	89.5	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-53.4	-38.8	177.9	-71.7	164.3	0	0	0	112.3	R40 L41 T46 C47 I53 L56 C57 Y67 F69	R40-L44 PolarHBondContact O-N 2.96Å; L41-L44 HydrophobicContact CD2-CD1 3.74Å; L44-T46 PolarHBondContact O-N 3.38Å; L44-C47 WeakPolarHBondContact O-CB 3.41Å; L44-C47 PolarHBondContact O-N 3.29Å; L44-C47 VanDerWaalsContact O-N 3.16Å; L44-I53 HydrophobicContact CD2-CG2 4.41Å; L44-L56 HydrophobicContact CD2-CB 3.53Å; L44-L56 HydrophobicContact CD2-CD1 4.02Å; L44-L56 HydrophobicContact CD2-CG 4.44Å; L44-L56 HydrophobicContact CG-CB 4.24Å; L44-L56 HydrophobicContact CG-CD1 4.23Å; L44-C57 HydrophobicContact CD2-CB 4.5Å; L44-Y67 HydrophobicContact CB-CE1 4.43Å; L44-Y67 HydrophobicContact CD1-CD1 4.28Å; L44-Y67 HydrophobicContact CD2-CD1 3.95Å; L44-Y67 HydrophobicContact CD2-CE1 4.03Å; L44-F69 HydrophobicContact CD1-CE1 4.49Å; L44-F69 HydrophobicContact CD1-CZ 3.73Å
45	L	87.4	Confident	89.5	Confident	40 Å²	40	69.5 Å²	69.5	21%	0.209	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.5	179.3	-53.4	-174.4	0	0	0	113.8	V17 Q30 L33 L34 K43	V17-L45 HydrophobicContact CG2-CD2 3.75Å; Q30-L45 HydrophobicContact CB-CD1 3.99Å; Q30-L45 HydrophobicContact CG-CD1 4.06Å; Q30-L45 HydrophobicContact CG-CD2 4.2Å; L33-L45 HydrophobicContact CB-CD1 3.77Å; L33-L45 HydrophobicContact CD1-CD1 4.21Å; L34-L45 HydrophobicContact CD2-CB 4.19Å; L34-L45 HydrophobicContact CD2-CD1 4.11Å; L34-L45 HydrophobicContact CG-CD1 3.85Å; K43-L45 PolarHBondContact O-N 3.1Å
46	T	85.4	Confident	89.4	Confident	81 Å²	81	64.8 Å²	64.8	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-3.4	174.5	66.3	0	0	0	0	113.1	K43 L44	K43-T46 WeakPolarHBondContact O-CA 3.12Å; K43-T46 PolarHBondContact O-N 2.99Å; K43-T46 PolarHBondContact O-OG1 3.11Å; L44-T46 PolarHBondContact O-N 3.38Å
47	C	86.7	Confident	89.3	Confident	30 Å²	30	63.3 Å²	63.3	20%	0.203	32%	0.321	C	S	.	.			trans	-76.1	142	175.9	-65.6	0	0	0	0	111	K43 L44 A52 I53	K43-C47 PolarHBondContact O-N 3.44Å; L44-C47 WeakPolarHBondContact O-CB 3.41Å; L44-C47 PolarHBondContact O-N 3.29Å; L44-C47 VanDerWaalsContact O-N 3.16Å; C47-A52 HydrophobicContact CB-CB 4.1Å; C47-A52 PolarHBondContact SG-O 3.05Å; C47-I53 HydrophobicContact CB-CG1 3.74Å
48	H	81.8	Confident	89.3	Confident	184 Å²	184	64.9 Å²	64.9	85%	0.852	33%	0.326	S	S	*	.			trans	-121.2	-1.2	-177	-61.1	-33.3	0	0	0	113.5
49	S	87.3	Confident	89.3	Confident	52 Å²	52	62.1 Å²	62.1	36%	0.364	32%	0.317	S	S	.	.	S	Bend	trans	-137.5	157.7	174.8	90.1	0	0	0	0	110.3	E51 A52 I53	S49-E51 VanDerWaalsContact C-N 3.31Å; S49-E51 WeakPolarHBondContact CB-OE2 3.27Å; S49-E51 PolarHBondContact OG-OE2 2.78Å; S49-A52 PolarHBondContact O-N 2.92Å; S49-A52 PolarHBondContact OG-N 3.18Å; S49-I53 PolarHBondContact O-N 3.33Å
50	E	85	Confident	89.2	Confident	107 Å²	107	63.8 Å²	63.8	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-35.4	-178.1	-167	173.3	158.1	0	0	111.3	A52 I53 L54	E50-A52 VanDerWaalsContact C-N 3.35Å; E50-A52 PolarHBondContact O-N 3.23Å; E50-I53 WeakPolarHBondContact O-CB 3.41Å; E50-I53 PolarHBondContact O-N 3.32Å; E50-I53 VanDerWaalsContact O-N 3.11Å; E50-L54 HydrophobicContact CG-CD1 4.42Å; E50-L54 WeakPolarHBondContact O-CG 3.4Å; E50-L54 PolarHBondContact O-N 3.28Å
51	E	85.5	Confident	88.9	Confident	132 Å²	132	62.9 Å²	62.9	62%	0.617	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-41.9	175.4	-50.9	81.1	-179.7	0	0	111.4	S49 I53 L54 E55	S49-E51 VanDerWaalsContact C-N 3.31Å; S49-E51 WeakPolarHBondContact CB-OE2 3.27Å; S49-E51 PolarHBondContact OG-OE2 2.78Å; E51-I53 VanDerWaalsContact C-N 3.26Å; E51-I53 PolarHBondContact O-N 2.73Å; E51-L54 PolarHBondContact O-N 3.08Å; E51-E55 PolarHBondContact O-N 3.43Å; E51-E55 VanDerWaalsContact O-N 3.1Å
52	A	87.3	Confident	88.5	Confident	29 Å²	29	67.3 Å²	67.3	24%	0.24	35%	0.352	C	S	.	.	H	α-helix	trans	-71.2	-19.4	176.6	0	0	0	0	0	113.2	C47 S49 E50	C47-A52 HydrophobicContact CB-CB 4.1Å; C47-A52 PolarHBondContact SG-O 3.05Å; S49-A52 PolarHBondContact O-N 2.92Å; S49-A52 PolarHBondContact OG-N 3.18Å; E50-A52 VanDerWaalsContact C-N 3.35Å; E50-A52 PolarHBondContact O-N 3.23Å
53	I	88.1	Confident	88.1	Confident	15 Å²	15	71.8 Å²	71.8	8%	0.077	39%	0.389	C	S	.	.	H	α-helix	trans	-76.7	-46	170.8	-71.7	169	0	0	0	109.6	L44 C47 S49 E50 E51 E55 L56 C57 Y60 Y67	L44-I53 HydrophobicContact CD2-CG2 4.41Å; C47-I53 HydrophobicContact CB-CG1 3.74Å; S49-I53 PolarHBondContact O-N 3.33Å; E50-I53 WeakPolarHBondContact O-CB 3.41Å; E50-I53 PolarHBondContact O-N 3.32Å; E50-I53 VanDerWaalsContact O-N 3.11Å; E51-I53 VanDerWaalsContact C-N 3.26Å; E51-I53 PolarHBondContact O-N 2.73Å; I53-E55 PolarHBondContact O-N 3.31Å; I53-L56 WeakPolarHBondContact O-CA 3.22Å; I53-L56 PolarHBondContact O-N 2.87Å; I53-C57 VanDerWaalsContact CG2-SG 3.5Å; I53-C57 PolarHBondContact O-N 3.43Å; I53-C57 PolarHBondContact O-SG 3.46Å; I53-C57 VanDerWaalsContact O-SG 3.4Å; I53-Y60 HydrophobicContact CD1-CD1 4.37Å; I53-Y60 HydrophobicContact CD1-CE1 4.17Å; I53-Y60 HydrophobicContact CG2-CD1 4.32Å; I53-Y60 HydrophobicContact CG2-CD2 4.25Å; I53-Y60 HydrophobicContact CG2-CG 3.91Å; I53-Y67 HydrophobicContact CD1-CE1 4.22Å; I53-Y67 HydrophobicContact CG1-CE1 4.28Å; I53-Y67 HydrophobicContact CG2-CD1 3.79Å; I53-Y67 HydrophobicContact CG2-CE1 3.59Å
54	L	89.8	Confident	87.5	Confident	81 Å²	81	71.9 Å²	71.9	42%	0.424	39%	0.394	S	S	.	.	H	α-helix	trans	-70	-13.9	179.9	-64.9	171.4	0	0	0	114.2	E50 E51	E50-L54 HydrophobicContact CG-CD1 4.42Å; E50-L54 WeakPolarHBondContact O-CG 3.4Å; E50-L54 PolarHBondContact O-N 3.28Å; E51-L54 PolarHBondContact O-N 3.08Å
55	E	89.8	Confident	87.3	Confident	165 Å²	165	77.5 Å²	77.5	77%	0.771	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.4	164.1	-74.4	-172.7	174.9	0	0	113.1	E51 I53	E51-E55 PolarHBondContact O-N 3.43Å; E51-E55 VanDerWaalsContact O-N 3.1Å; I53-E55 PolarHBondContact O-N 3.31Å
56	L	89.4	Confident	87.5	Confident	31 Å²	31	77.1 Å²	77.1	16%	0.162	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-25.9	-172.8	-65.6	179.8	0	0	0	114.1	R40 K43 L44 I53 F69	R40-L56 WeakPolarHBondContact CD-O 3.45Å; R40-L56 PolarHBondContact NH1-O 2.82Å; K43-L56 HydrophobicContact CB-CD1 3.69Å; L44-L56 HydrophobicContact CD2-CB 3.53Å; L44-L56 HydrophobicContact CD2-CD1 4.02Å; L44-L56 HydrophobicContact CD2-CG 4.44Å; L44-L56 HydrophobicContact CG-CB 4.24Å; L44-L56 HydrophobicContact CG-CD1 4.23Å; I53-L56 WeakPolarHBondContact O-CA 3.22Å; I53-L56 PolarHBondContact O-N 2.87Å; L56-F69 WeakPolarHBondContact O-CE1 3.35Å
57	C	91.8	Very high	87.9	Confident	4 Å²	4	74.3 Å²	74.3	3%	0.027	40%	0.396	C	S	.	.	S	Bend	trans	-131.6	161.2	176.2	68.7	0	0	0	0	111.6	L44 I53 D59 Y68 F69	L44-C57 HydrophobicContact CD2-CB 4.5Å; I53-C57 VanDerWaalsContact CG2-SG 3.5Å; I53-C57 PolarHBondContact O-N 3.43Å; I53-C57 PolarHBondContact O-SG 3.46Å; I53-C57 VanDerWaalsContact O-SG 3.4Å; C57-D59 PolarHBondContact SG-O 2.81Å; C57-Y68 WeakPolarHBondContact CB-O 3.19Å; C57-F69 HydrophobicContact CB-CD1 3.93Å; C57-F69 HydrophobicContact CB-CE1 3.38Å; C57-F69 HydrophobicContact CB-CE2 4.24Å; C57-F69 HydrophobicContact CB-CZ 3.54Å
58	D	92	Very high	88.3	Confident	92 Å²	92	76.5 Å²	76.5	49%	0.492	40%	0.4	S	S	.	.	S	Bend	trans	-82.5	-27.2	-171.1	-59.2	-64	0	0	0	113	Y68 F69 D70	D58-Y68 HydrophobicContact CB-CD1 4.23Å; D58-Y68 PolarHBondContact N-O 3.42Å; D58-F69 VanDerWaalsContact OD2-CA 3.26Å; D58-F69 WeakPolarHBondContact OD2-CA 3.41Å; D58-D70 PolarHBondContact OD2-N 2.78Å
59	D	92.2	Very high	89	Confident	98 Å²	98	67.7 Å²	67.7	52%	0.524	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.1	171.9	-165.8	7.1	0	0	0	110.8	C57 Y68	C57-D59 PolarHBondContact SG-O 2.81Å; D59-Y68 HydrophobicContact CB-CD1 4.01Å; D59-Y68 HydrophobicContact CB-CG 4.43Å; D59-Y68 PolarHBondContact O-N 3.2Å
60	Y	91.4	Very high	89.3	Confident	41 Å²	41	71 Å²	71	16%	0.161	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	114.4	-179.5	180	-118	0	0	0	113.1	I53 V62 E66 Y67	I53-Y60 HydrophobicContact CD1-CD1 4.37Å; I53-Y60 HydrophobicContact CD1-CE1 4.17Å; I53-Y60 HydrophobicContact CG2-CD1 4.32Å; I53-Y60 HydrophobicContact CG2-CD2 4.25Å; I53-Y60 HydrophobicContact CG2-CG 3.91Å; Y60-V62 HydrophobicContact CD1-CG2 3.97Å; Y60-V62 HydrophobicContact CE1-CB 4.46Å; Y60-V62 HydrophobicContact CE1-CG2 3.83Å; Y60-V62 PolarHBondContact O-N 2.87Å; Y60-E66 WeakPolarHBondContact CA-O 3.49Å; Y60-E66 WeakPolarHBondContact CD2-O 3.49Å; Y60-Y67 AromaticContact CD2-CD1 3.52Å; Y60-Y67 HydrophobicContact CD2-CD1 3.52Å; Y60-Y67 HydrophobicContact CD2-CD2 4.32Å; Y60-Y67 AromaticContact CD2-CE1 3.63Å; Y60-Y67 HydrophobicContact CD2-CE1 3.63Å; Y60-Y67 HydrophobicContact CD2-CE2 4.39Å; Y60-Y67 AromaticContact CD2-CG 3.89Å; Y60-Y67 HydrophobicContact CD2-CG 3.89Å; Y60-Y67 AromaticContact CE2-CD1 3.85Å; Y60-Y67 HydrophobicContact CE2-CD1 3.85Å; Y60-Y67 HydrophobicContact CE2-CD2 4.07Å; Y60-Y67 AromaticContact CE2-CE1 3.55Å; Y60-Y67 HydrophobicContact CE2-CE1 3.55Å; Y60-Y67 AromaticContact CE2-CE2 3.78Å; Y60-Y67 HydrophobicContact CE2-CE2 3.78Å; Y60-Y67 HydrophobicContact CE2-CG 4.11Å; Y60-Y67 AromaticContact CE2-CZ 3.51Å; Y60-Y67 HydrophobicContact CG-CD1 4.44Å; Y60-Y67 HydrophobicContact CG-CE1 4.48Å
61	S	89	Confident	89.7	Confident	37 Å²	37	69 Å²	69	26%	0.259	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.2	171.5	178.8	0	0	0	0	110.7	A63 D64 K65 E66	S61-A63 PolarHBondContact O-N 3.33Å; S61-D64 WeakPolarHBondContact CB-OD2 3.2Å; S61-D64 PolarHBondContact O-N 2.98Å; S61-D64 PolarHBondContact OG-N 3.17Å; S61-D64 PolarHBondContact OG-OD2 3.32Å; S61-K65 WeakPolarHBondContact O-CA 3.2Å; S61-K65 PolarHBondContact O-N 3.02Å; S61-E66 PolarHBondContact N-O 2.83Å; S61-E66 PolarHBondContact O-N 3.35Å; S61-E66 VanDerWaalsContact O-N 3.13Å
62	V	83.6	Confident	89.9	Confident	92 Å²	92	66 Å²	66	56%	0.558	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33	172.9	-176.1	0	0	0	0	111.8	Y60	Y60-V62 HydrophobicContact CD1-CG2 3.97Å; Y60-V62 HydrophobicContact CE1-CB 4.46Å; Y60-V62 HydrophobicContact CE1-CG2 3.83Å; Y60-V62 PolarHBondContact O-N 2.87Å
63	A	83.1	Confident	90.2	Very high	95 Å²	95	66.6 Å²	66.6	79%	0.785	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-41.5	-178.5	0	0	0	0	0	112.4	S61	S61-A63 PolarHBondContact O-N 3.33Å
64	D	81.1	Confident	90.3	Very high	97 Å²	97	69.2 Å²	69.2	52%	0.519	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.9	-177.5	-50.7	-67.5	0	0	0	112.9	N18 S61 E66	N18-D64 PolarHBondContact ND2-O 3.3Å; S61-D64 WeakPolarHBondContact CB-OD2 3.2Å; S61-D64 PolarHBondContact O-N 2.98Å; S61-D64 PolarHBondContact OG-N 3.17Å; S61-D64 PolarHBondContact OG-OD2 3.32Å; D64-E66 HydrophobicContact CB-CB 4.02Å; D64-E66 PolarHBondContact O-N 3.31Å
65	K	85.5	Confident	90.3	Very high	125 Å²	125	65.7 Å²	65.7	54%	0.543	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	39	-167.2	-60.4	180	179.7	177.3	0	112.3	S61	S61-K65 WeakPolarHBondContact O-CA 3.2Å; S61-K65 PolarHBondContact O-N 3.02Å
66	E	91.4	Very high	90.5	Very high	31 Å²	31	57.9 Å²	57.9	15%	0.145	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.3	-173.3	-173.6	175.9	-55	0	0	111.2	N18 N20 K25 Y60 S61 D64	N18-E66 HydrophobicContact CB-CB 4.16Å; N18-E66 HydrophobicContact CB-CG 4.35Å; N18-E66 WeakPolarHBondContact O-CA 3.38Å; N20-E66 HydrophobicContact CB-CG 3.89Å; N20-E66 WeakPolarHBondContact CB-OE2 3.46Å; N20-E66 PolarHBondContact ND2-OE2 2.96Å; K25-E66 VanDerWaalsContact CE-OE2 3.3Å; K25-E66 WeakPolarHBondContact CE-OE2 3.23Å; K25-E66 IonicContact NZ-OE1 2.84Å; K25-E66 PolarHBondContact NZ-OE1 3.17Å; K25-E66 IonicContact NZ-OE2 3.81Å; K25-E66 PolarHBondContact NZ-OE2 3.19Å; Y60-E66 WeakPolarHBondContact CA-O 3.49Å; Y60-E66 WeakPolarHBondContact CD2-O 3.49Å; S61-E66 PolarHBondContact N-O 2.83Å; S61-E66 PolarHBondContact O-N 3.35Å; S61-E66 VanDerWaalsContact O-N 3.13Å; D64-E66 HydrophobicContact CB-CB 4.02Å; D64-E66 PolarHBondContact O-N 3.31Å
67	Y	94	Very high	90.6	Very high	23 Å²	23	63.4 Å²	63.4	9%	0.09	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.3	173.4	-59.5	-94	0	0	0	109.7	V17 N18 L19 N20 L44 I53 Y60	V17-Y67 HydrophobicContact CG1-CD2 3.81Å; V17-Y67 HydrophobicContact CG1-CE2 3.77Å; N18-Y67 PolarHBondContact O-N 3.35Å; L19-Y67 HydrophobicContact CD2-CD2 4.26Å; N20-Y67 PolarHBondContact N-O 3.36Å; L44-Y67 HydrophobicContact CB-CE1 4.43Å; L44-Y67 HydrophobicContact CD1-CD1 4.28Å; L44-Y67 HydrophobicContact CD2-CD1 3.95Å; L44-Y67 HydrophobicContact CD2-CE1 4.03Å; I53-Y67 HydrophobicContact CD1-CE1 4.22Å; I53-Y67 HydrophobicContact CG1-CE1 4.28Å; I53-Y67 HydrophobicContact CG2-CD1 3.79Å; I53-Y67 HydrophobicContact CG2-CE1 3.59Å; Y60-Y67 AromaticContact CD2-CD1 3.52Å; Y60-Y67 HydrophobicContact CD2-CD1 3.52Å; Y60-Y67 HydrophobicContact CD2-CD2 4.32Å; Y60-Y67 AromaticContact CD2-CE1 3.63Å; Y60-Y67 HydrophobicContact CD2-CE1 3.63Å; Y60-Y67 HydrophobicContact CD2-CE2 4.39Å; Y60-Y67 AromaticContact CD2-CG 3.89Å; Y60-Y67 HydrophobicContact CD2-CG 3.89Å; Y60-Y67 AromaticContact CE2-CD1 3.85Å; Y60-Y67 HydrophobicContact CE2-CD1 3.85Å; Y60-Y67 HydrophobicContact CE2-CD2 4.07Å; Y60-Y67 AromaticContact CE2-CE1 3.55Å; Y60-Y67 HydrophobicContact CE2-CE1 3.55Å; Y60-Y67 AromaticContact CE2-CE2 3.78Å; Y60-Y67 HydrophobicContact CE2-CE2 3.78Å; Y60-Y67 HydrophobicContact CE2-CG 4.11Å; Y60-Y67 AromaticContact CE2-CZ 3.51Å; Y60-Y67 HydrophobicContact CG-CD1 4.44Å; Y60-Y67 HydrophobicContact CG-CE1 4.48Å
68	Y	95	Very high	90.6	Very high	75 Å²	75	65.7 Å²	65.7	29%	0.294	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.1	-178	179	-108.9	0	0	0	112.7	N20 C57 D58 D59 D70	N20-Y68 HydrophobicContact CB-CD2 4.18Å; N20-Y68 CarbonylContact O-C 3.26Å; N20-Y68 WeakPolarHBondContact O-CA 3.25Å; N20-Y68 WeakPolarHBondContact O-CD2 3.17Å; C57-Y68 WeakPolarHBondContact CB-O 3.19Å; D58-Y68 HydrophobicContact CB-CD1 4.23Å; D58-Y68 PolarHBondContact N-O 3.42Å; D59-Y68 HydrophobicContact CB-CD1 4.01Å; D59-Y68 HydrophobicContact CB-CG 4.43Å; D59-Y68 PolarHBondContact O-N 3.2Å; Y68-D70 HydrophobicContact CE1-CB 4.28Å
69	F	96.3	Very high	90.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	176.5	-53.5	-95.9	0	0	0	110.5	L19 N20 V21 G22 L41 L44 L56 C57 D58 R71 Y105 W106	L19-F69 HydrophobicContact CD2-CE2 4.27Å; N20-F69 PolarHBondContact O-N 2.94Å; V21-F69 WeakPolarHBondContact CA-O 3.49Å; V21-F69 HydrophobicContact CG1-CB 4.3Å; V21-F69 HydrophobicContact CG2-CB 4.25Å; V21-F69 HydrophobicContact CG2-CD2 3.87Å; V21-F69 HydrophobicContact CG2-CG 4.38Å; G22-F69 PolarHBondContact N-O 2.64Å; L41-F69 HydrophobicContact CD2-CE2 4.2Å; L41-F69 HydrophobicContact CD2-CZ 3.84Å; L44-F69 HydrophobicContact CD1-CE1 4.49Å; L44-F69 HydrophobicContact CD1-CZ 3.73Å; L56-F69 WeakPolarHBondContact O-CE1 3.35Å; C57-F69 HydrophobicContact CB-CD1 3.93Å; C57-F69 HydrophobicContact CB-CE1 3.38Å; C57-F69 HydrophobicContact CB-CE2 4.24Å; C57-F69 HydrophobicContact CB-CZ 3.54Å; D58-F69 VanDerWaalsContact OD2-CA 3.26Å; D58-F69 WeakPolarHBondContact OD2-CA 3.41Å; F69-R71 HydrophobicContact CB-CG 4.14Å; F69-R71 PolarHBondContact O-N 3.29Å; F69-Y105 HydrophobicContact CD1-CE1 4.39Å; F69-W106 HydrophobicContact CB-CH2 3.99Å; F69-W106 AromaticContact CD1-CH2 3.58Å; F69-W106 HydrophobicContact CD1-CH2 3.58Å; F69-W106 AromaticContact CD1-CZ3 3.8Å; F69-W106 HydrophobicContact CD1-CZ3 3.8Å; F69-W106 AromaticContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CZ3 4.41Å; F69-W106 AromaticContact CE1-CH2 3.97Å; F69-W106 HydrophobicContact CE1-CH2 3.97Å; F69-W106 AromaticContact CE1-CZ3 3.71Å; F69-W106 HydrophobicContact CE1-CZ3 3.71Å; F69-W106 HydrophobicContact CE2-CH2 4.29Å; F69-W106 HydrophobicContact CE2-CZ3 4.35Å; F69-W106 AromaticContact CG-CH2 3.54Å; F69-W106 HydrophobicContact CG-CH2 3.54Å; F69-W106 HydrophobicContact CG-CZ3 4.15Å; F69-W106 HydrophobicContact CZ-CH2 4.32Å; F69-W106 HydrophobicContact CZ-CZ3 4.02Å
70	D	95	Very high	90.7	Very high	121 Å²	121	57.1 Å²	57.1	65%	0.647	30%	0.296	S	S	*	.			trans	-83.1	67.6	173.7	-167.6	19.1	0	0	0	110.3	D58 Y68	D58-D70 PolarHBondContact OD2-N 2.78Å; Y68-D70 HydrophobicContact CE1-CB 4.28Å
71	R	93.1	Very high	90.8	Very high	65 Å²	65	58.3 Å²	58.3	25%	0.245	31%	0.306	C	S	.	.	S	Bend	trans	-132.2	166.9	-176.3	-58.8	-66.1	-63.3	-155.4	0.9	111.5	V21 G22 F69 P73 Q101 E102 Y105 W106	V21-R71 HydrophobicContact CG1-CB 3.76Å; G22-R71 WeakPolarHBondContact CA-O 3.37Å; G22-R71 PolarHBondContact N-O 2.83Å; F69-R71 HydrophobicContact CB-CG 4.14Å; F69-R71 PolarHBondContact O-N 3.29Å; R71-P73 VanDerWaalsContact O-CD 3.31Å; R71-P73 WeakPolarHBondContact O-CD 3.49Å; R71-Q101 PolarHBondContact NH2-O 2.84Å; R71-E102 IonicContact CZ-OE2 3.55Å; R71-E102 IonicContact NE-OE1 3.25Å; R71-E102 PolarHBondContact NE-OE1 3.07Å; R71-E102 IonicContact NE-OE2 2.67Å; R71-E102 PolarHBondContact NE-OE2 3.37Å; R71-E102 IonicContact NH2-OE1 2.7Å; R71-E102 IonicContact NH2-OE2 2.77Å; R71-E102 PolarHBondContact NH2-OE2 2.9Å; R71-Y105 HydrophobicContact CG-CD1 4.22Å; R71-Y105 HydrophobicContact CG-CE1 3.72Å; R71-W106 HydrophobicContact CB-CZ2 4.29Å; R71-W106 HydrophobicContact CG-CZ2 4.24Å
72	N	90.1	Very high	91	Very high	69 Å²	69	56.6 Å²	56.6	37%	0.369	29%	0.293	S	S	.	.			trans	-71.1	114.8	-173.2	-173.5	-39.9	0	0	0	112.1	S74 L75 F76	N72-S74 PolarHBondContact O-N 2.66Å; N72-S74 VanDerWaalsContact OD1-CB 3.31Å; N72-S74 WeakPolarHBondContact OD1-CB 3.35Å; N72-S74 PolarHBondContact OD1-N 3.4Å; N72-L75 HydrophobicContact CB-CB 4.28Å; N72-L75 HydrophobicContact CB-CD1 4Å; N72-L75 HydrophobicContact CB-CG 3.96Å; N72-L75 PolarHBondContact O-N 2.87Å; N72-L75 PolarHBondContact OD1-N 3.47Å; N72-F76 PolarHBondContact O-N 2.92Å; N72-F76 VanDerWaalsContact O-N 3.15Å
73	P	93.1	Very high	91.5	Very high	42 Å²	42	52.2 Å²	52.2	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-26.1	-176.8	24.6	-34	0	0	0	113.6	V21 F24 R71	V21-P73 WeakPolarHBondContact O-CB 3.46Å; F24-P73 HydrophobicContact CB-CB 3.56Å; F24-P73 HydrophobicContact CG-CB 4.5Å; R71-P73 VanDerWaalsContact O-CD 3.31Å; R71-P73 WeakPolarHBondContact O-CD 3.49Å
74	S	89.9	Confident	91.8	Very high	69 Å²	69	52.3 Å²	52.3	48%	0.483	25%	0.248	S	C	.	.	H	α-helix	trans	-74.1	-36.4	178.1	-58.1	0	0	0	0	111.9	N72	N72-S74 PolarHBondContact O-N 2.66Å; N72-S74 VanDerWaalsContact OD1-CB 3.31Å; N72-S74 WeakPolarHBondContact OD1-CB 3.35Å; N72-S74 PolarHBondContact OD1-N 3.4Å
75	L	90.1	Very high	92.3	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-76.4	-34.6	178.5	-56.9	-177.1	0	0	0	112	N72 R77 Y78 L94 S98 E102	N72-L75 HydrophobicContact CB-CB 4.28Å; N72-L75 HydrophobicContact CB-CD1 4Å; N72-L75 HydrophobicContact CB-CG 3.96Å; N72-L75 PolarHBondContact O-N 2.87Å; N72-L75 PolarHBondContact OD1-N 3.47Å; L75-R77 PolarHBondContact O-N 3.44Å; L75-R77 VanDerWaalsContact O-N 3.1Å; L75-Y78 WeakPolarHBondContact O-CD2 3.24Å; L75-Y78 PolarHBondContact O-N 2.67Å; L75-Y78 VanDerWaalsContact O-N 3.07Å; L75-L94 HydrophobicContact CD2-CD1 3.6Å; L75-L94 HydrophobicContact CD2-CD2 4.17Å; L75-L94 HydrophobicContact CD2-CG 4.2Å; L75-S98 WeakPolarHBondContact CD1-OG 3.2Å; L75-E102 HydrophobicContact CB-CB 4.36Å; L75-E102 HydrophobicContact CB-CG 3.72Å; L75-E102 HydrophobicContact CD1-CB 4.01Å; L75-E102 HydrophobicContact CD1-CG 4.11Å
76	F	93.7	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-24.4	178.6	-173.6	-110.2	0	0	0	114	L19 V21 F24 L41 N72 Y78 V79 L80 W106	L19-F76 HydrophobicContact CD1-CZ 4.03Å; V21-F76 HydrophobicContact CB-CB 4.21Å; V21-F76 HydrophobicContact CB-CD1 3.96Å; V21-F76 HydrophobicContact CB-CD2 4.37Å; V21-F76 HydrophobicContact CB-CE1 4.46Å; V21-F76 HydrophobicContact CB-CG 3.91Å; V21-F76 HydrophobicContact CG1-CB 3.85Å; V21-F76 HydrophobicContact CG1-CD1 4.48Å; V21-F76 HydrophobicContact CG1-CD2 4.2Å; V21-F76 HydrophobicContact CG1-CG 3.92Å; V21-F76 HydrophobicContact CG2-CD1 3.67Å; V21-F76 HydrophobicContact CG2-CD2 3.8Å; V21-F76 HydrophobicContact CG2-CE1 3.71Å; V21-F76 HydrophobicContact CG2-CE2 3.83Å; V21-F76 HydrophobicContact CG2-CG 3.71Å; V21-F76 HydrophobicContact CG2-CZ 3.79Å; F24-F76 AromaticContact CD1-CD1 3.95Å; F24-F76 HydrophobicContact CD1-CD1 3.95Å; F24-F76 HydrophobicContact CE1-CD1 4.18Å; L41-F76 HydrophobicContact CD1-CE2 4.02Å; L41-F76 HydrophobicContact CD1-CZ 4.01Å; N72-F76 PolarHBondContact O-N 2.92Å; N72-F76 VanDerWaalsContact O-N 3.15Å; F76-Y78 VanDerWaalsContact C-N 3.27Å; F76-Y78 PolarHBondContact O-N 2.89Å; F76-V79 HydrophobicContact CD2-CB 4.02Å; F76-V79 HydrophobicContact CD2-CG1 3.96Å; F76-V79 HydrophobicContact CE2-CB 4.36Å; F76-V79 HydrophobicContact CE2-CG1 3.86Å; F76-V79 WeakPolarHBondContact O-CB 3.2Å; F76-V79 PolarHBondContact O-N 3.4Å; F76-L80 HydrophobicContact CE1-CB 4.35Å; F76-L80 WeakPolarHBondContact O-CB 3.18Å; F76-L80 PolarHBondContact O-N 3.21Å; F76-W106 HydrophobicContact CD2-CD2 4.4Å; F76-W106 AromaticContact CD2-CE2 3.7Å; F76-W106 AromaticContact CD2-CH2 3.9Å; F76-W106 HydrophobicContact CD2-CH2 3.9Å; F76-W106 AromaticContact CD2-CZ2 3.43Å; F76-W106 HydrophobicContact CD2-CZ2 3.43Å; F76-W106 VanDerWaalsContact CD2-CZ2 3.43Å; F76-W106 HydrophobicContact CE2-CD2 4.35Å; F76-W106 HydrophobicContact CE2-CE3 4.34Å; F76-W106 AromaticContact CE2-CH2 3.71Å; F76-W106 HydrophobicContact CE2-CH2 3.71Å; F76-W106 AromaticContact CE2-CZ2 3.73Å; F76-W106 HydrophobicContact CE2-CZ2 3.73Å; F76-W106 HydrophobicContact CE2-CZ3 4.04Å; F76-W106 HydrophobicContact CG-CZ2 4.48Å
77	R	92.1	Very high	92.5	Very high	147 Å²	147	48.9 Å²	48.9	56%	0.555	24%	0.239	S	C	*	.	H	α-helix	trans	-60.8	-35.1	175.5	-64.1	176.7	-176.8	-175.7	-0.4	112.9	L75 N81	L75-R77 PolarHBondContact O-N 3.44Å; L75-R77 VanDerWaalsContact O-N 3.1Å; R77-N81 WeakPolarHBondContact O-CB 3.36Å; R77-N81 PolarHBondContact O-N 3.02Å
78	Y	91.8	Very high	92.4	Very high	53 Å²	53	47.8 Å²	47.8	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-71.5	-40.5	176.1	-60.6	-81.7	0	0	0	111.5	L75 F76 N81 F82 H89 M91 L94 F99	L75-Y78 WeakPolarHBondContact O-CD2 3.24Å; L75-Y78 PolarHBondContact O-N 2.67Å; L75-Y78 VanDerWaalsContact O-N 3.07Å; F76-Y78 VanDerWaalsContact C-N 3.27Å; F76-Y78 PolarHBondContact O-N 2.89Å; Y78-N81 PolarHBondContact O-N 2.88Å; Y78-F82 PolarHBondContact O-N 2.92Å; Y78-H89 WeakPolarHBondContact CD1-O 3.33Å; Y78-M91 HydrophobicContact CE1-CG 3.94Å; Y78-M91 WeakPolarHBondContact OH-CB 3.49Å; Y78-M91 VanDerWaalsContact OH-CG 3.24Å; Y78-M91 WeakPolarHBondContact OH-CG 3.46Å; Y78-L94 HydrophobicContact CD2-CD2 4.49Å; Y78-L94 HydrophobicContact CE2-CD1 4.35Å; Y78-L94 HydrophobicContact CE2-CD2 4.06Å; Y78-F99 HydrophobicContact CD2-CE2 4.15Å; Y78-F99 AromaticContact CG-CE2 3.95Å; Y78-F99 HydrophobicContact CG-CE2 3.95Å
79	V	93.7	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-48.8	175.2	172.2	0	0	0	0	110.2	F76 F82 Y83 E102 W106 I108	F76-V79 HydrophobicContact CD2-CB 4.02Å; F76-V79 HydrophobicContact CD2-CG1 3.96Å; F76-V79 HydrophobicContact CE2-CB 4.36Å; F76-V79 HydrophobicContact CE2-CG1 3.86Å; F76-V79 WeakPolarHBondContact O-CB 3.2Å; F76-V79 PolarHBondContact O-N 3.4Å; V79-F82 WeakPolarHBondContact O-CB 3Å; V79-F82 PolarHBondContact O-N 2.63Å; V79-Y83 HydrophobicContact CG1-CE2 3.94Å; V79-Y83 WeakPolarHBondContact O-CD2 3.45Å; V79-Y83 PolarHBondContact O-N 3.13Å; V79-E102 HydrophobicContact CG2-CG 4.44Å; V79-W106 HydrophobicContact CB-CG 4.45Å; V79-W106 HydrophobicContact CG1-CB 3.99Å; V79-W106 HydrophobicContact CG1-CD2 3.96Å; V79-W106 HydrophobicContact CG1-CG 3.64Å; V79-W106 HydrophobicContact CG2-CG 3.98Å; V79-I108 HydrophobicContact CB-CD1 4.37Å; V79-I108 HydrophobicContact CG1-CD1 3.86Å; V79-I108 HydrophobicContact CG2-CD1 4.44Å
80	L	92.8	Very high	91.6	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-43.6	176.7	-178.5	64.6	0	0	0	112.2	Q26 V28 F76 F82 Y83 Y84	Q26-L80 HydrophobicContact CG-CD2 3.84Å; V28-L80 HydrophobicContact CG1-CD1 4.38Å; V28-L80 HydrophobicContact CG2-CD1 3.69Å; F76-L80 HydrophobicContact CE1-CB 4.35Å; F76-L80 WeakPolarHBondContact O-CB 3.18Å; F76-L80 PolarHBondContact O-N 3.21Å; L80-F82 PolarHBondContact O-N 3.47Å; L80-Y83 PolarHBondContact O-N 2.87Å; L80-Y83 VanDerWaalsContact O-N 3.11Å; L80-Y84 HydrophobicContact CD1-CE2 3.79Å; L80-Y84 HydrophobicContact CD2-CE2 4.08Å; L80-Y84 HydrophobicContact CG-CD2 4.2Å; L80-Y84 HydrophobicContact CG-CE2 3.61Å; L80-Y84 WeakPolarHBondContact O-CD2 3.33Å; L80-Y84 PolarHBondContact O-N 2.79Å
81	N	92	Very high	90.9	Very high	67 Å²	67	47.4 Å²	47.4	36%	0.358	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-32	176.5	-169.5	30.4	0	0	0	112.6	R77 Y78 Y84 T85	R77-N81 WeakPolarHBondContact O-CB 3.36Å; R77-N81 PolarHBondContact O-N 3.02Å; Y78-N81 PolarHBondContact O-N 2.88Å; N81-Y84 PolarHBondContact O-N 3.4Å; N81-T85 WeakPolarHBondContact O-CB 3.13Å; N81-T85 PolarHBondContact O-N 3.38Å; N81-T85 PolarHBondContact O-OG1 3.18Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.03Å
82	F	94.6	Very high	89.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-41.2	172.5	161.7	-94.7	0	0	0	112.6	F36 T39 Y78 V79 L80 Y84 T85 G86 L88 I108 F112	F36-F82 HydrophobicContact CB-CE1 4.25Å; F36-F82 HydrophobicContact CD1-CE1 4.11Å; F36-F82 AromaticContact CD1-CZ 3.62Å; F36-F82 HydrophobicContact CD1-CZ 3.62Å; F36-F82 HydrophobicContact CD2-CD1 4.45Å; F36-F82 AromaticContact CD2-CE1 3.69Å; F36-F82 HydrophobicContact CD2-CE1 3.69Å; F36-F82 AromaticContact CD2-CZ 3.91Å; F36-F82 HydrophobicContact CD2-CZ 3.91Å; F36-F82 HydrophobicContact CE1-CE1 4.42Å; F36-F82 HydrophobicContact CE1-CE2 4.2Å; F36-F82 AromaticContact CE1-CZ 3.66Å; F36-F82 HydrophobicContact CE1-CZ 3.66Å; F36-F82 HydrophobicContact CE2-CE1 4.03Å; F36-F82 HydrophobicContact CE2-CE2 4.44Å; F36-F82 AromaticContact CE2-CZ 3.94Å; F36-F82 HydrophobicContact CE2-CZ 3.94Å; F36-F82 AromaticContact CG-CE1 3.74Å; F36-F82 HydrophobicContact CG-CE1 3.74Å; F36-F82 AromaticContact CG-CZ 3.76Å; F36-F82 HydrophobicContact CG-CZ 3.76Å; F36-F82 HydrophobicContact CZ-CE1 4.39Å; F36-F82 HydrophobicContact CZ-CE2 4.13Å; F36-F82 AromaticContact CZ-CZ 3.82Å; F36-F82 HydrophobicContact CZ-CZ 3.82Å; T39-F82 HydrophobicContact CG2-CE1 4.36Å; Y78-F82 PolarHBondContact O-N 2.92Å; V79-F82 WeakPolarHBondContact O-CB 3Å; V79-F82 PolarHBondContact O-N 2.63Å; L80-F82 PolarHBondContact O-N 3.47Å; F82-Y84 VanDerWaalsContact C-N 3.3Å; F82-Y84 PolarHBondContact O-N 2.69Å; F82-T85 PolarHBondContact O-N 2.87Å; F82-G86 WeakPolarHBondContact O-CA 3.49Å; F82-G86 PolarHBondContact O-N 2.84Å; F82-L88 HydrophobicContact CB-CD1 4.14Å; F82-I108 HydrophobicContact CB-CD1 4.44Å; F82-I108 HydrophobicContact CD1-CD1 3.45Å; F82-I108 VanDerWaalsContact CD1-CD1 3.45Å; F82-I108 HydrophobicContact CD1-CG1 3.88Å; F82-I108 HydrophobicContact CD1-CG2 4.17Å; F82-I108 HydrophobicContact CD2-CG2 4.27Å; F82-I108 HydrophobicContact CE1-CD1 3.95Å; F82-I108 HydrophobicContact CE1-CG1 3.83Å; F82-I108 HydrophobicContact CE1-CG2 4.09Å; F82-I108 HydrophobicContact CE2-CG2 4.21Å; F82-I108 HydrophobicContact CG-CD1 4.08Å; F82-I108 HydrophobicContact CG-CG2 4.26Å; F82-I108 HydrophobicContact CZ-CG2 4.1Å; F82-F112 HydrophobicContact CD2-CB 4.1Å; F82-F112 HydrophobicContact CD2-CG 4.4Å; F82-F112 HydrophobicContact CE2-CB 3.65Å; F82-F112 AromaticContact CE2-CD1 3.82Å; F82-F112 HydrophobicContact CE2-CD1 3.82Å; F82-F112 AromaticContact CE2-CD2 3.78Å; F82-F112 HydrophobicContact CE2-CD2 3.78Å; F82-F112 HydrophobicContact CE2-CE1 4.41Å; F82-F112 HydrophobicContact CE2-CE2 4.38Å; F82-F112 AromaticContact CE2-CG 3.48Å; F82-F112 HydrophobicContact CE2-CG 3.48Å; F82-F112 VanDerWaalsContact CE2-CG 3.48Å; F82-F112 HydrophobicContact CZ-CD1 4.42Å; F82-F112 AromaticContact CZ-CD2 3.92Å; F82-F112 HydrophobicContact CZ-CD2 3.92Å; F82-F112 HydrophobicContact CZ-CE2 4.16Å; F82-F112 HydrophobicContact CZ-CG 4.08Å
83	Y	92.6	Very high	89.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-32.2	176.1	-67.7	-90.2	0	0	0	112.9	L33 R35 F36 T39 L41 V79 L80 I108	L33-Y83 HydrophobicContact CD2-CD1 3.85Å; L33-Y83 HydrophobicContact CD2-CD2 4.38Å; L33-Y83 HydrophobicContact CD2-CE1 4.04Å; L33-Y83 HydrophobicContact CD2-CG 4.04Å; R35-Y83 PolarHBondContact NH1-O 3.16Å; F36-Y83 HydrophobicContact CB-CD1 4.37Å; F36-Y83 HydrophobicContact CB-CE1 4.12Å; F36-Y83 AromaticContact CD2-CD1 3.89Å; F36-Y83 HydrophobicContact CD2-CD1 3.89Å; F36-Y83 HydrophobicContact CD2-CE1 4.44Å; T39-Y83 WeakPolarHBondContact CB-OH 3.03Å; T39-Y83 HydrophobicContact CG2-CE1 4.39Å; T39-Y83 WeakPolarHBondContact OG1-CE1 3.45Å; T39-Y83 PolarHBondContact OG1-OH 3.21Å; L41-Y83 HydrophobicContact CB-CE1 4.36Å; L41-Y83 WeakPolarHBondContact CB-OH 2.96Å; L41-Y83 HydrophobicContact CD1-CD2 4.46Å; L41-Y83 HydrophobicContact CD1-CE2 3.76Å; V79-Y83 HydrophobicContact CG1-CE2 3.94Å; V79-Y83 WeakPolarHBondContact O-CD2 3.45Å; V79-Y83 PolarHBondContact O-N 3.13Å; L80-Y83 PolarHBondContact O-N 2.87Å; L80-Y83 VanDerWaalsContact O-N 3.11Å; Y83-I108 HydrophobicContact CE2-CD1 4.42Å
84	Y	91.2	Very high	88.6	Confident	98 Å²	98	53.5 Å²	53.5	38%	0.384	26%	0.26	S	S	.	.	H	α-helix	trans	-75.3	-45.7	175.9	-66.4	-52	0	0	0	113	T32 R35 L80 N81 F82	T32-Y84 HydrophobicContact CG2-CD1 3.75Å; T32-Y84 HydrophobicContact CG2-CE1 3.79Å; R35-Y84 PolarHBondContact NH1-O 3.41Å; L80-Y84 HydrophobicContact CD1-CE2 3.79Å; L80-Y84 HydrophobicContact CD2-CE2 4.08Å; L80-Y84 HydrophobicContact CG-CD2 4.2Å; L80-Y84 HydrophobicContact CG-CE2 3.61Å; L80-Y84 WeakPolarHBondContact O-CD2 3.33Å; L80-Y84 PolarHBondContact O-N 2.79Å; N81-Y84 PolarHBondContact O-N 3.4Å; F82-Y84 VanDerWaalsContact C-N 3.3Å; F82-Y84 PolarHBondContact O-N 2.69Å
85	T	90.9	Very high	88.2	Confident	67 Å²	67	53.8 Å²	53.8	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-95.1	-24.2	-172	60.7	0	0	0	0	114.2	N81 F82 K87	N81-T85 WeakPolarHBondContact O-CB 3.13Å; N81-T85 PolarHBondContact O-N 3.38Å; N81-T85 PolarHBondContact O-OG1 3.18Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.03Å; F82-T85 PolarHBondContact O-N 2.87Å; T85-K87 PolarHBondContact OG1-N 3.03Å; T85-K87 PolarHBondContact OG1-O 3.44Å
86	G	89.6	Confident	87.9	Confident	19 Å²	19	53.7 Å²	53.7	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	72	12.1	-167.6	0	0	0	0	0	114.4	F82	F82-G86 WeakPolarHBondContact O-CA 3.49Å; F82-G86 PolarHBondContact O-N 2.84Å
87	K	90.6	Very high	87.3	Confident	95 Å²	95	59.8 Å²	59.8	41%	0.413	29%	0.288	S	S	.	.			trans	-133.9	147.3	-178.7	-71.6	-176.1	161.3	-162.6	0	110.5	T85 D114	T85-K87 PolarHBondContact OG1-N 3.03Å; T85-K87 PolarHBondContact OG1-O 3.44Å; K87-D114 HydrophobicContact CD-CB 4.3Å; K87-D114 WeakPolarHBondContact CD-OD2 3.43Å; K87-D114 WeakPolarHBondContact CE-OD2 3.47Å; K87-D114 VanDerWaalsContact NZ-CG 3.33Å; K87-D114 IonicContact NZ-OD1 2.68Å; K87-D114 PolarHBondContact NZ-OD1 3.25Å; K87-D114 IonicContact NZ-OD2 2.78Å; K87-D114 PolarHBondContact NZ-OD2 3.38Å
88	L	91.6	Very high	87	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-107.6	126.1	176.9	-167.2	66.5	0	0	0	109.3	F82 F99 I103 F112 I113 D114	F82-L88 HydrophobicContact CB-CD1 4.14Å; L88-F99 HydrophobicContact CD1-CZ 3.91Å; L88-F99 HydrophobicContact CD2-CE1 3.88Å; L88-F99 HydrophobicContact CD2-CZ 3.82Å; L88-F99 HydrophobicContact CG-CE1 4.34Å; L88-F99 HydrophobicContact CG-CZ 3.91Å; L88-I103 HydrophobicContact CD2-CD1 4.15Å; L88-I103 HydrophobicContact CD2-CG2 3.88Å; L88-F112 PolarHBondContact N-O 3.15Å; L88-I113 HydrophobicContact CB-CG1 4.17Å; L88-I113 HydrophobicContact CD2-CD1 4.45Å; L88-I113 HydrophobicContact CD2-CG1 3.75Å; L88-I113 HydrophobicContact CG-CG1 4.24Å; L88-I113 WeakPolarHBondContact O-CA 3.26Å; L88-D114 PolarHBondContact O-N 3.12Å
89	H	88.6	Confident	86.8	Confident	62 Å²	62	52.2 Å²	52.2	29%	0.287	27%	0.266	S	S	.	.			trans	-119.1	139.6	175.9	-65.6	-75.2	0	0	0	108.9	Y78 D114 C116	Y78-H89 WeakPolarHBondContact CD1-O 3.33Å; H89-D114 VanDerWaalsContact CE1-CB 3.47Å; H89-D114 WeakPolarHBondContact CE1-CB 3.47Å; H89-D114 IonicContact CE1-OD2 2.95Å; H89-D114 PolarHBondContact CE1-OD2 2.85Å; H89-C116 VanDerWaalsContact CE1-SG 3.55Å; H89-C116 PolarHBondContact ND1-SG 3.43Å
90	V	85.9	Confident	86.6	Confident	21 Å²	21	53.2 Å²	53.2	13%	0.127	27%	0.272	C	S	.	.			trans	-123.2	127.6	-173.4	-165.5	0	0	0	0	109.1	L94 F99 C117 Y121	V90-L94 HydrophobicContact CG1-CB 4.48Å; V90-L94 HydrophobicContact CG1-CD2 3.98Å; V90-F99 HydrophobicContact CB-CE1 4.44Å; V90-F99 HydrophobicContact CG1-CD1 4.2Å; V90-F99 HydrophobicContact CG1-CE1 4.14Å; V90-F99 HydrophobicContact CG1-CZ 4.47Å; V90-F99 HydrophobicContact CG2-CD1 4.23Å; V90-F99 HydrophobicContact CG2-CE1 3.46Å; V90-F99 VanDerWaalsContact CG2-CE1 3.46Å; V90-F99 HydrophobicContact CG2-CZ 3.83Å; V90-C117 HydrophobicContact CB-CB 4.42Å; V90-C117 HydrophobicContact CG2-CB 4.49Å; V90-C117 PolarHBondContact N-SG 2.98Å; V90-Y121 HydrophobicContact CG1-CD2 4.31Å; V90-Y121 HydrophobicContact CG2-CD2 4.23Å
91	M	80.9	Confident	86.3	Confident	104 Å²	104	57.2 Å²	57.2	51%	0.512	29%	0.291	S	S	.	.			trans	-78.2	159.5	177.2	-69.9	-65	-66.5	0	0	111.9	Y78	Y78-M91 HydrophobicContact CE1-CG 3.94Å; Y78-M91 WeakPolarHBondContact OH-CB 3.49Å; Y78-M91 VanDerWaalsContact OH-CG 3.24Å; Y78-M91 WeakPolarHBondContact OH-CG 3.46Å
92	E	69.7	Low	86.3	Confident	108 Å²	108	54.3 Å²	54.3	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-28.5	-169.8	-66.6	-153.9	-175.1	0	0	114.8	L94 R120 R124	E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 3.07Å; E92-R120 IonicContact OE1-CZ 2.69Å; E92-R120 IonicContact OE1-NH1 3.35Å; E92-R120 PolarHBondContact OE1-NH1 2.86Å; E92-R120 IonicContact OE2-CZ 2.88Å; E92-R120 IonicContact OE2-NH1 3.1Å; E92-R120 PolarHBondContact OE2-NH1 3.35Å; E92-R120 IonicContact OE2-NH2 2.66Å; E92-R124 PolarHBondContact O-NH2 3.35Å; E92-R124 VanDerWaalsContact O-NH2 3.14Å; E92-R124 IonicContact OE2-NH2 3.97Å
93	E	76.4	Confident	86.2	Confident	161 Å²	161	54.4 Å²	54.4	75%	0.752	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.4	-177.7	-53	80.1	-177.6	0	0	112.7
94	L	81.7	Confident	86.2	Confident	35 Å²	35	61.5 Å²	61.5	18%	0.183	31%	0.309	C	S	.	.	S	Bend	trans	-83.1	134.4	-172	-155.6	67.1	0	0	0	112.3	L75 Y78 V90 E92 V96 F99	L75-L94 HydrophobicContact CD2-CD1 3.6Å; L75-L94 HydrophobicContact CD2-CD2 4.17Å; L75-L94 HydrophobicContact CD2-CG 4.2Å; Y78-L94 HydrophobicContact CD2-CD2 4.49Å; Y78-L94 HydrophobicContact CE2-CD1 4.35Å; Y78-L94 HydrophobicContact CE2-CD2 4.06Å; V90-L94 HydrophobicContact CG1-CB 4.48Å; V90-L94 HydrophobicContact CG1-CD2 3.98Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 3.07Å; L94-V96 PolarHBondContact O-N 2.93Å; L94-F99 HydrophobicContact CD2-CB 3.89Å; L94-F99 HydrophobicContact CD2-CD2 3.38Å; L94-F99 HydrophobicContact CD2-CE2 3.99Å; L94-F99 HydrophobicContact CD2-CG 3.74Å; L94-F99 HydrophobicContact CG-CB 4.45Å
95	C	81.6	Confident	86.3	Confident	75 Å²	75	58.9 Å²	58.9	51%	0.507	30%	0.298	S	S	.	.			trans	-66	107.3	170.7	-179.8	0	0	0	0	110.2	F97 S98 F99	C95-F97 VanDerWaalsContact C-N 3.32Å; C95-F97 PolarHBondContact O-N 3.34Å; C95-S98 PolarHBondContact O-N 2.9Å; C95-F99 PolarHBondContact O-N 3.34Å
96	V	84.3	Confident	86.5	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-43.8	-177.3	169.3	0	0	0	0	112.1	L94 S98 F99 C100 Y121 R124 K125	L94-V96 PolarHBondContact O-N 2.93Å; V96-S98 PolarHBondContact O-N 3.14Å; V96-F99 WeakPolarHBondContact O-CB 3.34Å; V96-F99 PolarHBondContact O-N 3.07Å; V96-C100 PolarHBondContact O-N 2.84Å; V96-C100 PolarHBondContact O-SG 3.39Å; V96-Y121 HydrophobicContact CG1-CD2 4.09Å; V96-Y121 HydrophobicContact CG1-CE2 3.76Å; V96-Y121 HydrophobicContact CG2-CD2 4.25Å; V96-R124 HydrophobicContact CG2-CB 3.7Å; V96-K125 HydrophobicContact CG1-CB 3.92Å
97	F	81.8	Confident	86.6	Confident	127 Å²	127	56.7 Å²	56.7	56%	0.557	29%	0.289	S	S	*	.	H	α-helix	trans	-59.9	-49.3	179.3	177.3	-96.6	0	0	0	112.7	C95 F99 C100 Q101	C95-F97 VanDerWaalsContact C-N 3.32Å; C95-F97 PolarHBondContact O-N 3.34Å; F97-F99 PolarHBondContact O-N 2.86Å; F97-C100 WeakPolarHBondContact O-CB 3.45Å; F97-C100 PolarHBondContact O-N 3.26Å; F97-Q101 VanDerWaalsContact CE1-CD 3.43Å; F97-Q101 HydrophobicContact CE1-CG 4.34Å; F97-Q101 HydrophobicContact CZ-CG 4.38Å; F97-Q101 PolarHBondContact O-N 3.02Å; F97-Q101 VanDerWaalsContact O-N 3.14Å
98	S	84.9	Confident	86.8	Confident	42 Å²	42	52.5 Å²	52.5	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-32.9	177.6	-179.8	0	0	0	0	111.7	L75 C95 V96 E102	L75-S98 WeakPolarHBondContact CD1-OG 3.2Å; C95-S98 PolarHBondContact O-N 2.9Å; V96-S98 PolarHBondContact O-N 3.14Å; S98-E102 PolarHBondContact O-N 2.94Å; S98-E102 VanDerWaalsContact O-N 3.15Å
99	F	88.6	Confident	86.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.2	-40.9	174.8	-172.7	-104.9	0	0	0	112.9	Y78 L88 V90 L94 C95 V96 F97 Q101 E102 I103 Y121	Y78-F99 HydrophobicContact CD2-CE2 4.15Å; Y78-F99 AromaticContact CG-CE2 3.95Å; Y78-F99 HydrophobicContact CG-CE2 3.95Å; L88-F99 HydrophobicContact CD1-CZ 3.91Å; L88-F99 HydrophobicContact CD2-CE1 3.88Å; L88-F99 HydrophobicContact CD2-CZ 3.82Å; L88-F99 HydrophobicContact CG-CE1 4.34Å; L88-F99 HydrophobicContact CG-CZ 3.91Å; V90-F99 HydrophobicContact CB-CE1 4.44Å; V90-F99 HydrophobicContact CG1-CD1 4.2Å; V90-F99 HydrophobicContact CG1-CE1 4.14Å; V90-F99 HydrophobicContact CG1-CZ 4.47Å; V90-F99 HydrophobicContact CG2-CD1 4.23Å; V90-F99 HydrophobicContact CG2-CE1 3.46Å; V90-F99 VanDerWaalsContact CG2-CE1 3.46Å; V90-F99 HydrophobicContact CG2-CZ 3.83Å; L94-F99 HydrophobicContact CD2-CB 3.89Å; L94-F99 HydrophobicContact CD2-CD2 3.38Å; L94-F99 HydrophobicContact CD2-CE2 3.99Å; L94-F99 HydrophobicContact CD2-CG 3.74Å; L94-F99 HydrophobicContact CG-CB 4.45Å; C95-F99 PolarHBondContact O-N 3.34Å; V96-F99 WeakPolarHBondContact O-CB 3.34Å; V96-F99 PolarHBondContact O-N 3.07Å; F97-F99 PolarHBondContact O-N 2.86Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 2.94Å; F99-E102 WeakPolarHBondContact O-CB 3.45Å; F99-E102 PolarHBondContact O-N 3.02Å; F99-E102 VanDerWaalsContact O-N 3.13Å; F99-I103 HydrophobicContact CD1-CD1 4.26Å; F99-I103 HydrophobicContact CD1-CG2 4.32Å; F99-I103 HydrophobicContact CD2-CG2 4.48Å; F99-I103 HydrophobicContact CE1-CD1 4.11Å; F99-I103 HydrophobicContact CE1-CG2 3.91Å; F99-I103 HydrophobicContact CE2-CG2 4.1Å; F99-I103 HydrophobicContact CZ-CG2 3.82Å; F99-I103 WeakPolarHBondContact O-CG1 3.42Å; F99-I103 PolarHBondContact O-N 3.16Å; F99-Y121 AromaticContact CD1-CE2 3.8Å; F99-Y121 HydrophobicContact CD1-CE2 3.8Å; F99-Y121 HydrophobicContact CE1-CE2 4.33Å
100	C	87.7	Confident	86.7	Confident	21 Å²	21	56.6 Å²	56.6	14%	0.142	29%	0.293	C	S	.	.	H	α-helix	trans	-53.8	-51.2	172.7	-62.1	0	0	0	0	110.9	V96 F97 E102 I103 E104 Y121	V96-C100 PolarHBondContact O-N 2.84Å; V96-C100 PolarHBondContact O-SG 3.39Å; F97-C100 WeakPolarHBondContact O-CB 3.45Å; F97-C100 PolarHBondContact O-N 3.26Å; C100-E102 PolarHBondContact O-N 3.43Å; C100-I103 VanDerWaalsContact O-CG1 3.31Å; C100-I103 WeakPolarHBondContact O-CG1 3.49Å; C100-I103 PolarHBondContact O-N 3.38Å; C100-E104 VanDerWaalsContact O-CB 3.29Å; C100-E104 WeakPolarHBondContact O-CB 3.43Å; C100-E104 PolarHBondContact O-N 2.82Å; C100-Y121 PolarHBondContact SG-OH 2.79Å
101	Q	88.2	Confident	86.7	Confident	92 Å²	92	62.9 Å²	62.9	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-29.8	179.3	-68.6	-176	-39.4	0	0	113	R71 F97 F99 Y105	R71-Q101 PolarHBondContact NH2-O 2.84Å; F97-Q101 VanDerWaalsContact CE1-CD 3.43Å; F97-Q101 HydrophobicContact CE1-CG 4.34Å; F97-Q101 HydrophobicContact CZ-CG 4.38Å; F97-Q101 PolarHBondContact O-N 3.02Å; F97-Q101 VanDerWaalsContact O-N 3.14Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 2.94Å; Q101-Y105 VanDerWaalsContact O-CB 3.27Å; Q101-Y105 WeakPolarHBondContact O-CB 3.14Å; Q101-Y105 PolarHBondContact O-N 3.43Å; Q101-Y105 VanDerWaalsContact O-N 3.13Å
102	E	91.7	Very high	87.2	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.028	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-53.5	175.8	-160.7	68.5	-158.1	0	0	110.8	R71 L75 V79 S98 F99 C100 E104 Y105 W106	R71-E102 IonicContact CZ-OE2 3.55Å; R71-E102 IonicContact NE-OE1 3.25Å; R71-E102 PolarHBondContact NE-OE1 3.07Å; R71-E102 IonicContact NE-OE2 2.67Å; R71-E102 PolarHBondContact NE-OE2 3.37Å; R71-E102 IonicContact NH2-OE1 2.7Å; R71-E102 IonicContact NH2-OE2 2.77Å; R71-E102 PolarHBondContact NH2-OE2 2.9Å; L75-E102 HydrophobicContact CB-CB 4.36Å; L75-E102 HydrophobicContact CB-CG 3.72Å; L75-E102 HydrophobicContact CD1-CB 4.01Å; L75-E102 HydrophobicContact CD1-CG 4.11Å; V79-E102 HydrophobicContact CG2-CG 4.44Å; S98-E102 PolarHBondContact O-N 2.94Å; S98-E102 VanDerWaalsContact O-N 3.15Å; F99-E102 WeakPolarHBondContact O-CB 3.45Å; F99-E102 PolarHBondContact O-N 3.02Å; F99-E102 VanDerWaalsContact O-N 3.13Å; C100-E102 PolarHBondContact O-N 3.43Å; E102-E104 VanDerWaalsContact C-N 3.3Å; E102-E104 PolarHBondContact O-N 3.03Å; E102-Y105 WeakPolarHBondContact O-CB 3.28Å; E102-Y105 PolarHBondContact O-N 3.15Å; E102-Y105 VanDerWaalsContact O-N 3.12Å; E102-W106 PolarHBondContact O-N 2.87Å; E102-W106 PolarHBondContact OE1-NE1 3.31Å
103	I	92.5	Very high	88.2	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-33.9	-177.8	64.4	-177.2	0	0	0	112.4	L88 F99 C100 W106 G107 I108 E110	L88-I103 HydrophobicContact CD2-CD1 4.15Å; L88-I103 HydrophobicContact CD2-CG2 3.88Å; F99-I103 HydrophobicContact CD1-CD1 4.26Å; F99-I103 HydrophobicContact CD1-CG2 4.32Å; F99-I103 HydrophobicContact CD2-CG2 4.48Å; F99-I103 HydrophobicContact CE1-CD1 4.11Å; F99-I103 HydrophobicContact CE1-CG2 3.91Å; F99-I103 HydrophobicContact CE2-CG2 4.1Å; F99-I103 HydrophobicContact CZ-CG2 3.82Å; F99-I103 WeakPolarHBondContact O-CG1 3.42Å; F99-I103 PolarHBondContact O-N 3.16Å; C100-I103 VanDerWaalsContact O-CG1 3.31Å; C100-I103 WeakPolarHBondContact O-CG1 3.49Å; C100-I103 PolarHBondContact O-N 3.38Å; I103-W106 PolarHBondContact O-N 2.99Å; I103-G107 PolarHBondContact O-N 2.85Å; I103-G107 VanDerWaalsContact O-N 3.08Å; I103-I108 HydrophobicContact CB-CB 4.37Å; I103-I108 PolarHBondContact O-N 2.97Å; I103-E110 HydrophobicContact CD1-CG 3.94Å
104	E	92.4	Very high	88.9	Confident	150 Å²	150	51.3 Å²	51.3	70%	0.701	27%	0.27	S	S	*	.	H	α-helix	trans	-63	-47	170.6	-176.9	174.3	-156.5	0	0	111.5	C100 E102 W106 G107	C100-E104 VanDerWaalsContact O-CB 3.29Å; C100-E104 WeakPolarHBondContact O-CB 3.43Å; C100-E104 PolarHBondContact O-N 2.82Å; E102-E104 VanDerWaalsContact C-N 3.3Å; E102-E104 PolarHBondContact O-N 3.03Å; E104-W106 VanDerWaalsContact C-N 3.31Å; E104-W106 PolarHBondContact O-N 3.13Å; E104-G107 PolarHBondContact O-N 3.26Å
105	Y	93.8	Very high	89.1	Confident	42 Å²	42	54 Å²	54	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-43.3	176.2	174.2	-93.1	0	0	0	112.1	R40 F69 R71 Q101 E102 G107	R40-Y105 PolarHBondContact NE-O 3.25Å; R40-Y105 PolarHBondContact NH2-O 3.25Å; F69-Y105 HydrophobicContact CD1-CE1 4.39Å; R71-Y105 HydrophobicContact CG-CD1 4.22Å; R71-Y105 HydrophobicContact CG-CE1 3.72Å; Q101-Y105 VanDerWaalsContact O-CB 3.27Å; Q101-Y105 WeakPolarHBondContact O-CB 3.14Å; Q101-Y105 PolarHBondContact O-N 3.43Å; Q101-Y105 VanDerWaalsContact O-N 3.13Å; E102-Y105 WeakPolarHBondContact O-CB 3.28Å; E102-Y105 PolarHBondContact O-N 3.15Å; E102-Y105 VanDerWaalsContact O-N 3.12Å; Y105-G107 PolarHBondContact O-N 3.31Å
106	W	95.3	Very high	89.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-5	176.4	-62.1	107.9	0	0	0	114.1	V21 T39 R40 L41 F69 R71 F76 V79 E102 I103 E104 I108	V21-W106 HydrophobicContact CG1-CZ2 4.11Å; V21-W106 HydrophobicContact CG2-CH2 4.03Å; V21-W106 HydrophobicContact CG2-CZ2 4.32Å; T39-W106 WeakPolarHBondContact CB-O 3.46Å; R40-W106 HydrophobicContact CB-CE3 4.24Å; R40-W106 HydrophobicContact CG-CE3 4.39Å; R40-W106 PolarHBondContact N-O 3.21Å; L41-W106 HydrophobicContact CD2-CE3 4.14Å; L41-W106 HydrophobicContact CD2-CZ3 3.63Å; L41-W106 HydrophobicContact CG-CE3 3.98Å; L41-W106 HydrophobicContact CG-CZ3 3.98Å; F69-W106 HydrophobicContact CB-CH2 3.99Å; F69-W106 AromaticContact CD1-CH2 3.58Å; F69-W106 HydrophobicContact CD1-CH2 3.58Å; F69-W106 AromaticContact CD1-CZ3 3.8Å; F69-W106 HydrophobicContact CD1-CZ3 3.8Å; F69-W106 AromaticContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CZ3 4.41Å; F69-W106 AromaticContact CE1-CH2 3.97Å; F69-W106 HydrophobicContact CE1-CH2 3.97Å; F69-W106 AromaticContact CE1-CZ3 3.71Å; F69-W106 HydrophobicContact CE1-CZ3 3.71Å; F69-W106 HydrophobicContact CE2-CH2 4.29Å; F69-W106 HydrophobicContact CE2-CZ3 4.35Å; F69-W106 AromaticContact CG-CH2 3.54Å; F69-W106 HydrophobicContact CG-CH2 3.54Å; F69-W106 HydrophobicContact CG-CZ3 4.15Å; F69-W106 HydrophobicContact CZ-CH2 4.32Å; F69-W106 HydrophobicContact CZ-CZ3 4.02Å; R71-W106 HydrophobicContact CB-CZ2 4.29Å; R71-W106 HydrophobicContact CG-CZ2 4.24Å; F76-W106 HydrophobicContact CD2-CD2 4.4Å; F76-W106 AromaticContact CD2-CE2 3.7Å; F76-W106 AromaticContact CD2-CH2 3.9Å; F76-W106 HydrophobicContact CD2-CH2 3.9Å; F76-W106 AromaticContact CD2-CZ2 3.43Å; F76-W106 HydrophobicContact CD2-CZ2 3.43Å; F76-W106 VanDerWaalsContact CD2-CZ2 3.43Å; F76-W106 HydrophobicContact CE2-CD2 4.35Å; F76-W106 HydrophobicContact CE2-CE3 4.34Å; F76-W106 AromaticContact CE2-CH2 3.71Å; F76-W106 HydrophobicContact CE2-CH2 3.71Å; F76-W106 AromaticContact CE2-CZ2 3.73Å; F76-W106 HydrophobicContact CE2-CZ2 3.73Å; F76-W106 HydrophobicContact CE2-CZ3 4.04Å; F76-W106 HydrophobicContact CG-CZ2 4.48Å; V79-W106 HydrophobicContact CB-CG 4.45Å; V79-W106 HydrophobicContact CG1-CB 3.99Å; V79-W106 HydrophobicContact CG1-CD2 3.96Å; V79-W106 HydrophobicContact CG1-CG 3.64Å; V79-W106 HydrophobicContact CG2-CG 3.98Å; E102-W106 PolarHBondContact O-N 2.87Å; E102-W106 PolarHBondContact OE1-NE1 3.31Å; I103-W106 PolarHBondContact O-N 2.99Å; E104-W106 VanDerWaalsContact C-N 3.31Å; E104-W106 PolarHBondContact O-N 3.13Å; W106-I108 HydrophobicContact CB-CD1 4.2Å; W106-I108 HydrophobicContact CB-CG1 4.34Å
107	G	91.7	Very high	89.5	Confident	41 Å²	41	55.4 Å²	55.4	42%	0.423	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	29	179.8	0	0	0	0	0	114	I103 E104 Y105	I103-G107 PolarHBondContact O-N 2.85Å; I103-G107 VanDerWaalsContact O-N 3.08Å; E104-G107 PolarHBondContact O-N 3.26Å; Y105-G107 PolarHBondContact O-N 3.31Å
108	I	94.1	Very high	89.8	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.036	29%	0.29	C	S	.	.			trans	-95.4	127	176.6	-61.9	169.7	0	0	0	108.6	T39 V79 F82 Y83 I103 W106 F112	T39-I108 HydrophobicContact CG2-CG1 4.01Å; V79-I108 HydrophobicContact CB-CD1 4.37Å; V79-I108 HydrophobicContact CG1-CD1 3.86Å; V79-I108 HydrophobicContact CG2-CD1 4.44Å; F82-I108 HydrophobicContact CB-CD1 4.44Å; F82-I108 HydrophobicContact CD1-CD1 3.45Å; F82-I108 VanDerWaalsContact CD1-CD1 3.45Å; F82-I108 HydrophobicContact CD1-CG1 3.88Å; F82-I108 HydrophobicContact CD1-CG2 4.17Å; F82-I108 HydrophobicContact CD2-CG2 4.27Å; F82-I108 HydrophobicContact CE1-CD1 3.95Å; F82-I108 HydrophobicContact CE1-CG1 3.83Å; F82-I108 HydrophobicContact CE1-CG2 4.09Å; F82-I108 HydrophobicContact CE2-CG2 4.21Å; F82-I108 HydrophobicContact CG-CD1 4.08Å; F82-I108 HydrophobicContact CG-CG2 4.26Å; F82-I108 HydrophobicContact CZ-CG2 4.1Å; Y83-I108 HydrophobicContact CE2-CD1 4.42Å; I103-I108 HydrophobicContact CB-CB 4.37Å; I103-I108 PolarHBondContact O-N 2.97Å; W106-I108 HydrophobicContact CB-CD1 4.2Å; W106-I108 HydrophobicContact CB-CG1 4.34Å; I108-F112 HydrophobicContact CG2-CD2 4.14Å
109	N	89.3	Confident	89.6	Confident	85 Å²	85	55 Å²	55	46%	0.455	31%	0.306	S	S	.	.			trans	-76.4	137.7	-179.9	-166.7	-49.5	0	0	0	111.3	L111 F112	N109-L111 PolarHBondContact O-N 3.43Å; N109-L111 VanDerWaalsContact O-N 3.1Å; N109-L111 WeakPolarHBondContact OD1-CB 3.5Å; N109-L111 VanDerWaalsContact OD1-CG 3.24Å; N109-L111 WeakPolarHBondContact OD1-CG 3.42Å; N109-L111 PolarHBondContact OD1-N 3.02Å; N109-F112 HydrophobicContact CB-CD2 3.96Å; N109-F112 HydrophobicContact CB-CE2 3.98Å; N109-F112 VanDerWaalsContact O-CD2 3.29Å; N109-F112 WeakPolarHBondContact O-CD2 3.3Å; N109-F112 PolarHBondContact O-N 2.79Å
110	E	87.9	Confident	89.3	Confident	62 Å²	62	60.3 Å²	60.3	29%	0.29	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-56.9	-24.5	176.3	-57.3	-167.7	140	0	0	113.6	I103 F112 I113 Y121 K125	I103-E110 HydrophobicContact CD1-CG 3.94Å; E110-F112 PolarHBondContact O-N 2.7Å; E110-I113 HydrophobicContact CB-CD1 4.35Å; E110-I113 WeakPolarHBondContact O-CB 3.49Å; E110-I113 VanDerWaalsContact O-CG1 3.24Å; E110-I113 WeakPolarHBondContact O-CG1 3.31Å; E110-I113 PolarHBondContact O-N 3.27Å; E110-Y121 PolarHBondContact OE1-OH 3.37Å; E110-K125 IonicContact OE1-NZ 3.75Å; E110-K125 PolarHBondContact OE1-NZ 3.04Å; E110-K125 IonicContact OE2-NZ 2.69Å; E110-K125 PolarHBondContact OE2-NZ 2.92Å
111	L	87.4	Confident	89.1	Confident	153 Å²	153	59.6 Å²	59.6	80%	0.801	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.3	-13.4	174	-66.3	172.7	0	0	0	114.1	N109 I113	N109-L111 PolarHBondContact O-N 3.43Å; N109-L111 VanDerWaalsContact O-N 3.1Å; N109-L111 WeakPolarHBondContact OD1-CB 3.5Å; N109-L111 VanDerWaalsContact OD1-CG 3.24Å; N109-L111 WeakPolarHBondContact OD1-CG 3.42Å; N109-L111 PolarHBondContact OD1-N 3.02Å; L111-I113 VanDerWaalsContact C-N 3.32Å
112	F	90.4	Very high	88.8	Confident	84 Å²	84	59 Å²	59	37%	0.368	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-83.4	-3.5	172.8	-66.5	-66.3	0	0	0	113.9	F36 F82 L88 I108 N109 E110 D114	F36-F112 HydrophobicContact CE1-CE1 4.42Å; F82-F112 HydrophobicContact CD2-CB 4.1Å; F82-F112 HydrophobicContact CD2-CG 4.4Å; F82-F112 HydrophobicContact CE2-CB 3.65Å; F82-F112 AromaticContact CE2-CD1 3.82Å; F82-F112 HydrophobicContact CE2-CD1 3.82Å; F82-F112 AromaticContact CE2-CD2 3.78Å; F82-F112 HydrophobicContact CE2-CD2 3.78Å; F82-F112 HydrophobicContact CE2-CE1 4.41Å; F82-F112 HydrophobicContact CE2-CE2 4.38Å; F82-F112 AromaticContact CE2-CG 3.48Å; F82-F112 HydrophobicContact CE2-CG 3.48Å; F82-F112 VanDerWaalsContact CE2-CG 3.48Å; F82-F112 HydrophobicContact CZ-CD1 4.42Å; F82-F112 AromaticContact CZ-CD2 3.92Å; F82-F112 HydrophobicContact CZ-CD2 3.92Å; F82-F112 HydrophobicContact CZ-CE2 4.16Å; F82-F112 HydrophobicContact CZ-CG 4.08Å; L88-F112 PolarHBondContact N-O 3.15Å; I108-F112 HydrophobicContact CG2-CD2 4.14Å; N109-F112 HydrophobicContact CB-CD2 3.96Å; N109-F112 HydrophobicContact CB-CE2 3.98Å; N109-F112 VanDerWaalsContact O-CD2 3.29Å; N109-F112 WeakPolarHBondContact O-CD2 3.3Å; N109-F112 PolarHBondContact O-N 2.79Å; E110-F112 PolarHBondContact O-N 2.7Å; F112-D114 PolarHBondContact O-N 3.34Å
113	I	90.9	Very high	88.2	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.077	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-67.9	122.6	173.7	-62.9	170.6	0	0	0	109.5	L88 E110 L111 C117 Y121	L88-I113 HydrophobicContact CB-CG1 4.17Å; L88-I113 HydrophobicContact CD2-CD1 4.45Å; L88-I113 HydrophobicContact CD2-CG1 3.75Å; L88-I113 HydrophobicContact CG-CG1 4.24Å; L88-I113 WeakPolarHBondContact O-CA 3.26Å; E110-I113 HydrophobicContact CB-CD1 4.35Å; E110-I113 WeakPolarHBondContact O-CB 3.49Å; E110-I113 VanDerWaalsContact O-CG1 3.24Å; E110-I113 WeakPolarHBondContact O-CG1 3.31Å; E110-I113 PolarHBondContact O-N 3.27Å; L111-I113 VanDerWaalsContact C-N 3.32Å; I113-C117 HydrophobicContact CG2-CB 3.87Å; I113-Y121 HydrophobicContact CD1-CD1 3.42Å; I113-Y121 VanDerWaalsContact CD1-CD1 3.42Å; I113-Y121 HydrophobicContact CD1-CD2 4.31Å; I113-Y121 HydrophobicContact CD1-CE1 3.31Å; I113-Y121 HydrophobicContact CD1-CE2 4.22Å; I113-Y121 HydrophobicContact CD1-CG 3.91Å
114	D	90.2	Very high	87.5	Confident	31 Å²	31	66.1 Å²	66.1	17%	0.166	35%	0.348	C	S	.	.			trans	-69.6	150.9	-179.2	-160.9	-4.2	0	0	0	111.6	K87 L88 H89 F112 C116 C117 S118	K87-D114 HydrophobicContact CD-CB 4.3Å; K87-D114 WeakPolarHBondContact CD-OD2 3.43Å; K87-D114 WeakPolarHBondContact CE-OD2 3.47Å; K87-D114 VanDerWaalsContact NZ-CG 3.33Å; K87-D114 IonicContact NZ-OD1 2.68Å; K87-D114 PolarHBondContact NZ-OD1 3.25Å; K87-D114 IonicContact NZ-OD2 2.78Å; K87-D114 PolarHBondContact NZ-OD2 3.38Å; L88-D114 PolarHBondContact O-N 3.12Å; H89-D114 VanDerWaalsContact CE1-CB 3.47Å; H89-D114 WeakPolarHBondContact CE1-CB 3.47Å; H89-D114 IonicContact CE1-OD2 2.95Å; H89-D114 PolarHBondContact CE1-OD2 2.85Å; F112-D114 PolarHBondContact O-N 3.34Å; D114-C116 PolarHBondContact O-N 2.96Å; D114-C117 PolarHBondContact O-N 2.61Å; D114-S118 PolarHBondContact O-N 2.83Å
115	S	86.4	Confident	86.8	Confident	93 Å²	93	62 Å²	62	65%	0.65	33%	0.328	S	S	*	.	H	α-helix	trans	-42.1	-35.2	175.5	54.2	0	0	0	0	115.5	C117	S115-C117 VanDerWaalsContact C-N 3.32Å; S115-C117 PolarHBondContact O-N 3.48Å
116	C	87.4	Confident	85.5	Confident	90 Å²	90	64.9 Å²	64.9	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-70.3	-23.8	178.2	61.5	0	0	0	0	114.3	H89 D114	H89-C116 VanDerWaalsContact CE1-SG 3.55Å; H89-C116 PolarHBondContact ND1-SG 3.43Å; D114-C116 PolarHBondContact O-N 2.96Å
117	C	87.8	Confident	84	Confident	20 Å²	20	69.6 Å²	69.6	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-107.7	-26.8	177.8	-63.4	0	0	0	0	112.3	V90 I113 D114 S115 N119 R120 Y121	V90-C117 HydrophobicContact CB-CB 4.42Å; V90-C117 HydrophobicContact CG2-CB 4.49Å; V90-C117 PolarHBondContact N-SG 2.98Å; I113-C117 HydrophobicContact CG2-CB 3.87Å; D114-C117 PolarHBondContact O-N 2.61Å; S115-C117 VanDerWaalsContact C-N 3.32Å; S115-C117 PolarHBondContact O-N 3.48Å; C117-N119 PolarHBondContact O-N 2.85Å; C117-R120 PolarHBondContact O-N 2.76Å; C117-Y121 VanDerWaalsContact O-CB 3.32Å; C117-Y121 WeakPolarHBondContact O-CB 3.36Å; C117-Y121 PolarHBondContact O-N 2.96Å
118	S	86.3	Confident	82.3	Confident	44 Å²	44	70.3 Å²	70.3	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-53	-56.7	-169.3	-178.2	0	0	0	0	113.5	D114 R120 Y121 Q122	D114-S118 PolarHBondContact O-N 2.83Å; S118-R120 PolarHBondContact O-N 2.88Å; S118-Y121 PolarHBondContact O-N 3.4Å; S118-Q122 WeakPolarHBondContact O-CB 3.24Å; S118-Q122 PolarHBondContact O-N 2.92Å
119	N	82.3	Confident	80.3	Confident	118 Å²	118	74.7 Å²	74.7	63%	0.631	38%	0.379	S	S	*	.	H	α-helix	trans	-58.3	-48.8	-178.1	-68.3	0.2	0	0	0	112.3	C117 Y121 Q122 E123	C117-N119 PolarHBondContact O-N 2.85Å; N119-Y121 VanDerWaalsContact C-N 3.31Å; N119-Y121 PolarHBondContact O-N 2.87Å; N119-Q122 WeakPolarHBondContact O-CB 3.26Å; N119-Q122 PolarHBondContact O-N 3.28Å; N119-E123 WeakPolarHBondContact O-CG 3.17Å; N119-E123 PolarHBondContact O-N 2.88Å
120	R	81.8	Confident	78.4	Confident	110 Å²	110	77.1 Å²	77.1	42%	0.415	39%	0.388	S	S	.	.	H	α-helix	trans	-73.6	-20.3	-178.3	-65	-155.8	71.4	-166	-1.8	114.2	E92 C117 S118 R124	E92-R120 IonicContact OE1-CZ 2.69Å; E92-R120 IonicContact OE1-NH1 3.35Å; E92-R120 PolarHBondContact OE1-NH1 2.86Å; E92-R120 IonicContact OE2-CZ 2.88Å; E92-R120 IonicContact OE2-NH1 3.1Å; E92-R120 PolarHBondContact OE2-NH1 3.35Å; E92-R120 IonicContact OE2-NH2 2.66Å; C117-R120 PolarHBondContact O-N 2.76Å; S118-R120 PolarHBondContact O-N 2.88Å; R120-R124 WeakPolarHBondContact O-CG 3.44Å; R120-R124 PolarHBondContact O-N 3.16Å; R120-R124 PolarHBondContact O-NH1 3.3Å; R120-R124 VanDerWaalsContact O-NH1 3.09Å
121	Y	84.1	Confident	76.5	Confident	6 Å²	6	79.2 Å²	79.2	2%	0.024	40%	0.396	C	S	.	.	H	α-helix	trans	-75.3	-44.9	169.1	173.6	-98.7	0	0	0	110	V90 V96 F99 C100 E110 I113 C117 S118 N119 R124 K125	V90-Y121 HydrophobicContact CG1-CD2 4.31Å; V90-Y121 HydrophobicContact CG2-CD2 4.23Å; V96-Y121 HydrophobicContact CG1-CD2 4.09Å; V96-Y121 HydrophobicContact CG1-CE2 3.76Å; V96-Y121 HydrophobicContact CG2-CD2 4.25Å; F99-Y121 AromaticContact CD1-CE2 3.8Å; F99-Y121 HydrophobicContact CD1-CE2 3.8Å; F99-Y121 HydrophobicContact CE1-CE2 4.33Å; C100-Y121 PolarHBondContact SG-OH 2.79Å; E110-Y121 PolarHBondContact OE1-OH 3.37Å; I113-Y121 HydrophobicContact CD1-CD1 3.42Å; I113-Y121 VanDerWaalsContact CD1-CD1 3.42Å; I113-Y121 HydrophobicContact CD1-CD2 4.31Å; I113-Y121 HydrophobicContact CD1-CE1 3.31Å; I113-Y121 HydrophobicContact CD1-CE2 4.22Å; I113-Y121 HydrophobicContact CD1-CG 3.91Å; C117-Y121 VanDerWaalsContact O-CB 3.32Å; C117-Y121 WeakPolarHBondContact O-CB 3.36Å; C117-Y121 PolarHBondContact O-N 2.96Å; S118-Y121 PolarHBondContact O-N 3.4Å; N119-Y121 VanDerWaalsContact C-N 3.31Å; N119-Y121 PolarHBondContact O-N 2.87Å; Y121-R124 PolarHBondContact O-N 3.45Å; Y121-K125 HydrophobicContact CE1-CD 4.18Å; Y121-K125 VanDerWaalsContact O-CB 3.25Å; Y121-K125 WeakPolarHBondContact O-CB 3.33Å; Y121-K125 PolarHBondContact O-N 2.85Å
122	Q	81.8	Confident	74.3	Confident	81 Å²	81	75.2 Å²	75.2	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-49	177.8	-165	69.7	15.8	0	0	111.4	S118 N119 R124 K125 E126	S118-Q122 WeakPolarHBondContact O-CB 3.24Å; S118-Q122 PolarHBondContact O-N 2.92Å; N119-Q122 WeakPolarHBondContact O-CB 3.26Å; N119-Q122 PolarHBondContact O-N 3.28Å; Q122-R124 PolarHBondContact O-N 3.35Å; Q122-K125 CarbonylContact O-C 3.46Å; Q122-K125 WeakPolarHBondContact O-CB 3.22Å; Q122-K125 PolarHBondContact O-N 2.97Å; Q122-K125 VanDerWaalsContact O-N 3.13Å; Q122-E126 WeakPolarHBondContact CG-OE1 2.88Å; Q122-E126 PolarHBondContact NE2-OE1 3.35Å; Q122-E126 WeakPolarHBondContact O-CB 3.24Å; Q122-E126 WeakPolarHBondContact O-CG 3.35Å; Q122-E126 PolarHBondContact O-N 3.2Å
123	E	78.4	Confident	72	Confident	105 Å²	105	78.6 Å²	78.6	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-53.5	-49.9	173.9	-75	167	175.6	0	0	111.7	N119 K125 E126 E127	N119-E123 WeakPolarHBondContact O-CG 3.17Å; N119-E123 PolarHBondContact O-N 2.88Å; E123-K125 VanDerWaalsContact C-N 3.35Å; E123-K125 PolarHBondContact O-N 3.16Å; E123-E126 CarbonylContact O-C 3.58Å; E123-E126 PolarHBondContact O-N 3.29Å; E123-E127 WeakPolarHBondContact O-CG 3.42Å; E123-E127 PolarHBondContact O-N 3.08Å
124	R	77.8	Confident	69.6	Low	51 Å²	51	81.3 Å²	81.3	19%	0.192	40%	0.4	C	S	.	.	H	α-helix	trans	-70	-30	178.8	-73.1	-176	-173.7	101.4	-15.5	113.2	E92 V96 R120 Y121 Q122 N128	E92-R124 PolarHBondContact O-NH2 3.35Å; E92-R124 VanDerWaalsContact O-NH2 3.14Å; E92-R124 IonicContact OE2-NH2 3.97Å; V96-R124 HydrophobicContact CG2-CB 3.7Å; R120-R124 WeakPolarHBondContact O-CG 3.44Å; R120-R124 PolarHBondContact O-N 3.16Å; R120-R124 PolarHBondContact O-NH1 3.3Å; R120-R124 VanDerWaalsContact O-NH1 3.09Å; Y121-R124 PolarHBondContact O-N 3.45Å; Q122-R124 PolarHBondContact O-N 3.35Å; R124-N128 VanDerWaalsContact O-CB 3.27Å; R124-N128 WeakPolarHBondContact O-CB 3.39Å; R124-N128 VanDerWaalsContact O-CG 3.28Å; R124-N128 PolarHBondContact O-N 3.45Å; R124-N128 PolarHBondContact O-ND2 3.38Å
125	K	77.1	Confident	67.4	Low	65 Å²	65	85.7 Å²	85.7	28%	0.283	42%	0.42	S	S	.	.	H	α-helix	trans	-69.4	-39.3	173.3	-177.1	172.1	174.8	171.1	0	110.1	V96 E110 Y121 Q122 E123 N128 H129	V96-K125 HydrophobicContact CG1-CB 3.92Å; E110-K125 IonicContact OE1-NZ 3.75Å; E110-K125 PolarHBondContact OE1-NZ 3.04Å; E110-K125 IonicContact OE2-NZ 2.69Å; E110-K125 PolarHBondContact OE2-NZ 2.92Å; Y121-K125 HydrophobicContact CE1-CD 4.18Å; Y121-K125 VanDerWaalsContact O-CB 3.25Å; Y121-K125 WeakPolarHBondContact O-CB 3.33Å; Y121-K125 PolarHBondContact O-N 2.85Å; Q122-K125 CarbonylContact O-C 3.46Å; Q122-K125 WeakPolarHBondContact O-CB 3.22Å; Q122-K125 PolarHBondContact O-N 2.97Å; Q122-K125 VanDerWaalsContact O-N 3.13Å; E123-K125 VanDerWaalsContact C-N 3.35Å; E123-K125 PolarHBondContact O-N 3.16Å; K125-N128 PolarHBondContact O-N 3.09Å; K125-H129 WeakPolarHBondContact O-CB 3.35Å; K125-H129 PolarHBondContact O-N 3.3Å
126	E	67.7	Low	65	Low	102 Å²	102	86.1 Å²	86.1	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-70.9	-42.3	174.4	-74.2	170.4	-164.7	0	0	111.5	Q122 E123 N128 H129 E130	Q122-E126 WeakPolarHBondContact CG-OE1 2.88Å; Q122-E126 PolarHBondContact NE2-OE1 3.35Å; Q122-E126 WeakPolarHBondContact O-CB 3.24Å; Q122-E126 WeakPolarHBondContact O-CG 3.35Å; Q122-E126 PolarHBondContact O-N 3.2Å; E123-E126 CarbonylContact O-C 3.58Å; E123-E126 PolarHBondContact O-N 3.29Å; E126-N128 VanDerWaalsContact C-N 3.33Å; E126-N128 PolarHBondContact O-N 2.68Å; E126-H129 CarbonylContact O-C 3.57Å; E126-H129 PolarHBondContact O-N 3.41Å; E126-H129 VanDerWaalsContact O-N 3.16Å; E126-E130 WeakPolarHBondContact O-CB 3.49Å; E126-E130 WeakPolarHBondContact O-CG 3.46Å; E126-E130 PolarHBondContact O-N 3.49Å
127	E	62.3	Low	62.8	Low	98 Å²	98	83.9 Å²	83.9	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-39.3	170.4	-77.9	-176.4	-161.6	0	0	112.5	E123 E130 K131	E123-E127 WeakPolarHBondContact O-CG 3.42Å; E123-E127 PolarHBondContact O-N 3.08Å; E127-E130 PolarHBondContact O-N 2.94Å; E127-K131 WeakPolarHBondContact O-CB 3.46Å; E127-K131 WeakPolarHBondContact O-CD 3.11Å; E127-K131 WeakPolarHBondContact O-CG 3.26Å; E127-K131 PolarHBondContact O-N 3.44Å; E127-K131 IonicContact OE2-NZ 3.47Å; E127-K131 PolarHBondContact OE2-NZ 2.96Å
128	N	57.6	Low	60.4	Low	56 Å²	56	85.2 Å²	85.2	30%	0.299	40%	0.4	S	S	.	.	H	α-helix	trans	-76.6	-26.5	176.5	-75.9	-15.5	0	0	0	111.9	R124 K125 E126 K131 D132	R124-N128 VanDerWaalsContact O-CB 3.27Å; R124-N128 WeakPolarHBondContact O-CB 3.39Å; R124-N128 VanDerWaalsContact O-CG 3.28Å; R124-N128 PolarHBondContact O-N 3.45Å; R124-N128 PolarHBondContact O-ND2 3.38Å; K125-N128 PolarHBondContact O-N 3.09Å; E126-N128 VanDerWaalsContact C-N 3.33Å; E126-N128 PolarHBondContact O-N 2.68Å; N128-K131 CarbonylContact O-C 3.57Å; N128-K131 PolarHBondContact OD1-NZ 3.49Å; N128-D132 WeakPolarHBondContact O-CB 3.41Å; N128-D132 PolarHBondContact O-N 3.25Å
129	H	50.2	Low	58.1	Low	100 Å²	100	88.3 Å²	88.3	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-80.8	-19.4	170	-175.5	-112	0	0	0	111.8	K125 E126 D132 W133	K125-H129 WeakPolarHBondContact O-CB 3.35Å; K125-H129 PolarHBondContact O-N 3.3Å; E126-H129 CarbonylContact O-C 3.57Å; E126-H129 PolarHBondContact O-N 3.41Å; E126-H129 VanDerWaalsContact O-N 3.16Å; H129-D132 CarbonylContact O-C 3.53Å; H129-W133 AromaticContact CD2-CD1 3.91Å; H129-W133 AromaticContact CE1-CD1 3.29Å; H129-W133 AromaticContact CE1-NE1 3.17Å; H129-W133 PolarHBondContact CE1-NE1 2.91Å; H129-W133 AromaticContact ND1-CD1 3.62Å; H129-W133 AromaticContact ND1-NE1 3.95Å; H129-W133 AromaticContact NE2-CD1 3.47Å; H129-W133 AromaticContact NE2-NE1 3.36Å; H129-W133 PolarHBondContact NE2-NE1 3.36Å; H129-W133 WeakPolarHBondContact O-CA 3.33Å; H129-W133 WeakPolarHBondContact O-CB 3.16Å; H129-W133 PolarHBondContact O-N 2.82Å
130	E	49.3	Very low	56	Low	135 Å²	135	87.7 Å²	87.7	63%	0.631	41%	0.413	S	S	*	.	H	α-helix	trans	-78.8	-38.3	165.3	-81.8	-165.3	150.7	0	0	110.3	E126 E127 D132 W133 D134	E126-E130 WeakPolarHBondContact O-CB 3.49Å; E126-E130 WeakPolarHBondContact O-CG 3.46Å; E126-E130 PolarHBondContact O-N 3.49Å; E127-E130 PolarHBondContact O-N 2.94Å; E130-D132 VanDerWaalsContact C-N 3.3Å; E130-W133 CarbonylContact O-C 3.58Å; E130-W133 PolarHBondContact O-N 3.32Å; E130-D134 WeakPolarHBondContact O-CB 3.4Å; E130-D134 VanDerWaalsContact O-CG 3.23Å; E130-D134 PolarHBondContact O-N 3.46Å
131	K	49.8	Very low	54.1	Low	107 Å²	107	83.3 Å²	83.3	47%	0.465	40%	0.399	S	S	.	.	H	α-helix	trans	-63.1	-37.7	166.4	-69	159.8	-154.1	153	0	110.5	E127 N128 D134 Q135	E127-K131 WeakPolarHBondContact O-CB 3.46Å; E127-K131 WeakPolarHBondContact O-CD 3.11Å; E127-K131 WeakPolarHBondContact O-CG 3.26Å; E127-K131 PolarHBondContact O-N 3.44Å; E127-K131 IonicContact OE2-NZ 3.47Å; E127-K131 PolarHBondContact OE2-NZ 2.96Å; N128-K131 CarbonylContact O-C 3.57Å; N128-K131 PolarHBondContact OD1-NZ 3.49Å; K131-D134 CarbonylContact O-C 3.36Å; K131-D134 WeakPolarHBondContact O-CB 3.43Å; K131-D134 PolarHBondContact O-N 2.91Å; K131-Q135 WeakPolarHBondContact O-CB 3.33Å; K131-Q135 PolarHBondContact O-N 2.84Å
132	D	40.7	Very low	51.9	Low	68 Å²	68	85 Å²	85	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-74.2	-31	171.3	-166.3	61.2	0	0	0	112.2	N128 H129 E130 D134 Q135 K136	N128-D132 WeakPolarHBondContact O-CB 3.41Å; N128-D132 PolarHBondContact O-N 3.25Å; H129-D132 CarbonylContact O-C 3.53Å; E130-D132 VanDerWaalsContact C-N 3.3Å; D132-D134 PolarHBondContact O-N 2.81Å; D132-Q135 CarbonylContact O-C 3.51Å; D132-Q135 PolarHBondContact O-N 3.31Å; D132-K136 WeakPolarHBondContact O-CA 3.35Å; D132-K136 WeakPolarHBondContact O-CB 3.43Å; D132-K136 PolarHBondContact O-N 2.82Å
133	W	41.1	Very low	49.7	Very low	156 Å²	156	85.7 Å²	85.7	59%	0.591	42%	0.416	S	S	*	.	H	α-helix	trans	-78	-6.3	168.2	-94.6	81.6	0	0	0	113	H129 E130 S137	H129-W133 AromaticContact CD2-CD1 3.91Å; H129-W133 AromaticContact CE1-CD1 3.29Å; H129-W133 AromaticContact CE1-NE1 3.17Å; H129-W133 PolarHBondContact CE1-NE1 2.91Å; H129-W133 AromaticContact ND1-CD1 3.62Å; H129-W133 AromaticContact ND1-NE1 3.95Å; H129-W133 AromaticContact NE2-CD1 3.47Å; H129-W133 AromaticContact NE2-NE1 3.36Å; H129-W133 PolarHBondContact NE2-NE1 3.36Å; H129-W133 WeakPolarHBondContact O-CA 3.33Å; H129-W133 WeakPolarHBondContact O-CB 3.16Å; H129-W133 PolarHBondContact O-N 2.82Å; E130-W133 CarbonylContact O-C 3.58Å; E130-W133 PolarHBondContact O-N 3.32Å; W133-S137 VanDerWaalsContact C-N 3.3Å; W133-S137 WeakPolarHBondContact O-CA 3.48Å; W133-S137 WeakPolarHBondContact O-CB 3.49Å; W133-S137 PolarHBondContact O-N 3.48Å; W133-S137 PolarHBondContact O-OG 2.87Å
134	D	42	Very low	47.9	Very low	71 Å²	71	83.1 Å²	83.1	38%	0.38	41%	0.41	S	S	.	.	H	α-helix	trans	-97.7	-22.5	165.9	-81.9	-33.9	0	0	0	111.3	E130 K131 D132 S137 H138 K411	E130-D134 WeakPolarHBondContact O-CB 3.4Å; E130-D134 VanDerWaalsContact O-CG 3.23Å; E130-D134 PolarHBondContact O-N 3.46Å; K131-D134 CarbonylContact O-C 3.36Å; K131-D134 WeakPolarHBondContact O-CB 3.43Å; K131-D134 PolarHBondContact O-N 2.91Å; D132-D134 PolarHBondContact O-N 2.81Å; D134-S137 CarbonylContact O-C 3.48Å; D134-S137 VanDerWaalsContact O-C 3.26Å; D134-S137 WeakPolarHBondContact O-CA 3.39Å; D134-H138 PolarHBondContact O-N 3.34Å; D134-K411 IonicContact OD1-NZ 3.95Å; D134-K411 PolarHBondContact OD1-NZ 2.99Å; D134-K411 IonicContact OD2-NZ 3.21Å; D134-K411 PolarHBondContact OD2-NZ 2.99Å
135	Q	42.5	Very low	46.2	Very low	123 Å²	123	81.5 Å²	81.5	58%	0.575	41%	0.406	S	S	*	.	H	α-helix	trans	-93.3	-26.2	176.8	-159.7	69.7	56.9	0	0	113.1	K131 D132 H138 D139	K131-Q135 WeakPolarHBondContact O-CB 3.33Å; K131-Q135 PolarHBondContact O-N 2.84Å; D132-Q135 CarbonylContact O-C 3.51Å; D132-Q135 PolarHBondContact O-N 3.31Å; Q135-H138 CarbonylContact O-C 3.39Å; Q135-H138 WeakPolarHBondContact O-CA 3.47Å; Q135-H138 WeakPolarHBondContact O-CB 3.39Å; Q135-H138 PolarHBondContact O-N 3.14Å; Q135-H138 VanDerWaalsContact O-N 3.07Å; Q135-D139 PolarHBondContact O-N 2.92Å
136	K	37.8	Very low	44.3	Very low	103 Å²	103	85.3 Å²	85.3	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-97.4	-26.2	164.5	-161.4	174.5	-131.9	144.2	0	110	D132 H138 D139 V140	D132-K136 WeakPolarHBondContact O-CA 3.35Å; D132-K136 WeakPolarHBondContact O-CB 3.43Å; D132-K136 PolarHBondContact O-N 2.82Å; K136-H138 PolarHBondContact O-N 3.23Å; K136-D139 VanDerWaalsContact C-N 3.33Å; K136-D139 HydrophobicContact CB-CB 4.34Å; K136-D139 HydrophobicContact CG-CB 3.88Å; K136-D139 CarbonylContact O-C 3.57Å; K136-D139 WeakPolarHBondContact O-CA 3.22Å; K136-D139 WeakPolarHBondContact O-CB 3.26Å; K136-D139 PolarHBondContact O-N 3.24Å; K136-V140 WeakPolarHBondContact O-CB 3.39Å; K136-V140 WeakPolarHBondContact O-CG2 3.25Å; K136-V140 PolarHBondContact O-N 2.76Å
137	S	40.2	Very low	43	Very low	42 Å²	42	84.3 Å²	84.3	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-38.5	-43.2	134.9	121.6	0	0	0	0	113	W133 D134 V140 S141	W133-S137 VanDerWaalsContact C-N 3.3Å; W133-S137 WeakPolarHBondContact O-CA 3.48Å; W133-S137 WeakPolarHBondContact O-CB 3.49Å; W133-S137 PolarHBondContact O-N 3.48Å; W133-S137 PolarHBondContact O-OG 2.87Å; D134-S137 CarbonylContact O-C 3.48Å; D134-S137 VanDerWaalsContact O-C 3.26Å; D134-S137 WeakPolarHBondContact O-CA 3.39Å; S137-V140 CarbonylContact O-C 3.34Å; S137-V140 PolarHBondContact O-N 3.23Å; S137-S141 WeakPolarHBondContact O-CA 3.36Å; S137-S141 WeakPolarHBondContact O-CB 3.4Å; S137-S141 PolarHBondContact O-N 3.05Å; S137-S141 PolarHBondContact O-OG 3.44Å
138	H	37.8	Very low	42.4	Very low	49 Å²	49	85.7 Å²	85.7	23%	0.227	43%	0.425	C	S	.	.	H	α-helix	trans	-77	-39.1	166.4	-100	-129.3	0	0	0	112.1	D134 Q135 K136 V140 S141 T142 D143 K415	D134-H138 PolarHBondContact O-N 3.34Å; Q135-H138 CarbonylContact O-C 3.39Å; Q135-H138 WeakPolarHBondContact O-CA 3.47Å; Q135-H138 WeakPolarHBondContact O-CB 3.39Å; Q135-H138 PolarHBondContact O-N 3.14Å; Q135-H138 VanDerWaalsContact O-N 3.07Å; K136-H138 PolarHBondContact O-N 3.23Å; H138-V140 PolarHBondContact O-N 3.44Å; H138-S141 PolarHBondContact O-N 2.98Å; H138-S141 VanDerWaalsContact O-N 3.1Å; H138-T142 CarbonylContact O-C 3.59Å; H138-T142 WeakPolarHBondContact O-CA 3.2Å; H138-T142 WeakPolarHBondContact O-CB 3.38Å; H138-T142 PolarHBondContact O-N 3.5Å; H138-T142 PolarHBondContact O-OG1 3.15Å; H138-D143 PolarHBondContact O-N 3.34Å; H138-K415 PolarHBondContact CD2-NZ 2.9Å; H138-K415 PolarHBondContact CE1-NZ 3.17Å; H138-K415 WeakPolarHBondContact NE2-CD 3.22Å; H138-K415 VanDerWaalsContact NE2-CE 3.29Å; H138-K415 WeakPolarHBondContact NE2-CE 3.24Å; H138-K415 PolarHBondContact NE2-NZ 3.25Å
139	D	36.9	Very low	41.8	Very low	108 Å²	108	85.8 Å²	85.8	58%	0.578	43%	0.43	S	S	*	.	H	α-helix	trans	-52.1	-17.6	167.1	-64.6	1.7	0	0	0	113.7	Q135 K136	Q135-D139 PolarHBondContact O-N 2.92Å; K136-D139 VanDerWaalsContact C-N 3.33Å; K136-D139 HydrophobicContact CB-CB 4.34Å; K136-D139 HydrophobicContact CG-CB 3.88Å; K136-D139 CarbonylContact O-C 3.57Å; K136-D139 WeakPolarHBondContact O-CA 3.22Å; K136-D139 WeakPolarHBondContact O-CB 3.26Å; K136-D139 PolarHBondContact O-N 3.24Å
140	V	40	Very low	41.6	Very low	105 Å²	105	81.5 Å²	81.5	64%	0.636	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-2.2	179	-178.1	0	0	0	0	114.8	K136 S137 H138	K136-V140 WeakPolarHBondContact O-CB 3.39Å; K136-V140 WeakPolarHBondContact O-CG2 3.25Å; K136-V140 PolarHBondContact O-N 2.76Å; S137-V140 CarbonylContact O-C 3.34Å; S137-V140 PolarHBondContact O-N 3.23Å; H138-V140 PolarHBondContact O-N 3.44Å
141	S	40.6	Very low	41.9	Very low	18 Å²	18	77.2 Å²	77.2	13%	0.126	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-4.6	175.4	77.3	0	0	0	0	114.1	S137 H138 S144 S145 K415	S137-S141 WeakPolarHBondContact O-CA 3.36Å; S137-S141 WeakPolarHBondContact O-CB 3.4Å; S137-S141 PolarHBondContact O-N 3.05Å; S137-S141 PolarHBondContact O-OG 3.44Å; H138-S141 PolarHBondContact O-N 2.98Å; H138-S141 VanDerWaalsContact O-N 3.1Å; S141-S144 VanDerWaalsContact C-N 3.3Å; S141-S144 PolarHBondContact O-N 3.05Å; S141-S144 PolarHBondContact O-OG 3.16Å; S141-S145 PolarHBondContact O-N 2.83Å; S141-K415 PolarHBondContact O-NZ 2.82Å; S141-K415 PolarHBondContact OG-NZ 3.34Å
142	T	37.3	Very low	42.6	Very low	43 Å²	43	75.5 Å²	75.5	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-77.6	-18.3	141.5	97.5	0	0	0	0	108.8	H138 S144 S145 F146 E147	H138-T142 CarbonylContact O-C 3.59Å; H138-T142 WeakPolarHBondContact O-CA 3.2Å; H138-T142 WeakPolarHBondContact O-CB 3.38Å; H138-T142 PolarHBondContact O-N 3.5Å; H138-T142 PolarHBondContact O-OG1 3.15Å; T142-S144 PolarHBondContact O-N 2.92Å; T142-S145 WeakPolarHBondContact CG2-OG 3.26Å; T142-S145 PolarHBondContact O-N 3.49Å; T142-F146 HydrophobicContact CG2-CB 3.81Å; T142-F146 CarbonylContact O-C 3.59Å; T142-F146 VanDerWaalsContact O-CA 3.22Å; T142-F146 WeakPolarHBondContact O-CA 3.39Å; T142-F146 VanDerWaalsContact O-CB 3.24Å; T142-F146 WeakPolarHBondContact O-CB 3.46Å; T142-F146 PolarHBondContact O-N 2.84Å; T142-E147 PolarHBondContact O-N 3.39Å
143	D	36.3	Very low	43.7	Very low	94 Å²	94	78.4 Å²	78.4	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	11.9	149.7	-155.1	51.6	0	0	0	113.1	H138 E147	H138-D143 PolarHBondContact O-N 3.34Å; D143-E147 WeakPolarHBondContact O-CB 3.48Å; D143-E147 WeakPolarHBondContact O-CG 3.37Å; D143-E147 WeakPolarHBondContact OD1-CG 3.25Å
144	S	41.5	Very low	44.8	Very low	51 Å²	51	75.6 Å²	75.6	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-124.7	-33.6	158.3	79	0	0	0	0	113.7	S141 T142 E148	S141-S144 VanDerWaalsContact C-N 3.3Å; S141-S144 PolarHBondContact O-N 3.05Å; S141-S144 PolarHBondContact O-OG 3.16Å; T142-S144 PolarHBondContact O-N 2.92Å; S144-E148 WeakPolarHBondContact O-CB 3.3Å; S144-E148 VanDerWaalsContact O-CG 3.24Å; S144-E148 WeakPolarHBondContact O-CG 3.35Å; S144-E148 PolarHBondContact O-N 3.46Å
145	S	40.8	Very low	46.1	Very low	17 Å²	17	73.2 Å²	73.2	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-88.8	-37.6	176.3	63.2	0	0	0	0	114.8	S141 T142 E148 S149	S141-S145 PolarHBondContact O-N 2.83Å; T142-S145 WeakPolarHBondContact CG2-OG 3.26Å; T142-S145 PolarHBondContact O-N 3.49Å; S145-E148 PolarHBondContact O-N 3.35Å; S145-S149 WeakPolarHBondContact O-CB 3.45Å; S145-S149 PolarHBondContact O-N 2.83Å; S145-S149 PolarHBondContact O-OG 2.75Å
146	F	37.8	Very low	47.5	Very low	146 Å²	146	69 Å²	69	64%	0.64	36%	0.356	S	S	*	.	H	α-helix	trans	-80.4	-24.5	165.6	-177.1	-93.2	0	0	0	111.2	T142 S150	T142-F146 HydrophobicContact CG2-CB 3.81Å; T142-F146 CarbonylContact O-C 3.59Å; T142-F146 VanDerWaalsContact O-CA 3.22Å; T142-F146 WeakPolarHBondContact O-CA 3.39Å; T142-F146 VanDerWaalsContact O-CB 3.24Å; T142-F146 WeakPolarHBondContact O-CB 3.46Å; T142-F146 PolarHBondContact O-N 2.84Å; F146-S150 WeakPolarHBondContact O-CA 2.99Å; F146-S150 WeakPolarHBondContact O-CB 3.46Å; F146-S150 PolarHBondContact O-N 3.31Å; F146-S150 PolarHBondContact O-OG 3.43Å
147	E	41.3	Very low	48.9	Very low	81 Å²	81	70 Å²	70	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-47.8	157.1	-94	-129.1	134.7	0	0	111.3	T142 D143 L151	T142-E147 PolarHBondContact O-N 3.39Å; D143-E147 WeakPolarHBondContact O-CB 3.48Å; D143-E147 WeakPolarHBondContact O-CG 3.37Å; D143-E147 WeakPolarHBondContact OD1-CG 3.25Å; E147-L151 HydrophobicContact CB-CD1 4.26Å; E147-L151 WeakPolarHBondContact O-CA 3.45Å; E147-L151 WeakPolarHBondContact O-CB 3.22Å; E147-L151 WeakPolarHBondContact O-CD1 3.4Å; E147-L151 WeakPolarHBondContact O-CG 3.47Å; E147-L151 PolarHBondContact O-N 2.93Å
148	E	48.9	Very low	50.5	Low	126 Å²	126	72 Å²	72	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-64.6	-47.2	179.9	-87.2	-175.7	156.3	0	0	112.4	S144 S145 L151 F152	S144-E148 WeakPolarHBondContact O-CB 3.3Å; S144-E148 VanDerWaalsContact O-CG 3.24Å; S144-E148 WeakPolarHBondContact O-CG 3.35Å; S144-E148 PolarHBondContact O-N 3.46Å; S145-E148 PolarHBondContact O-N 3.35Å; E148-L151 PolarHBondContact O-N 3.4Å; E148-F152 WeakPolarHBondContact O-CB 3.14Å; E148-F152 PolarHBondContact O-N 2.88Å
149	S	44.2	Very low	52.2	Low	59 Å²	59	69.6 Å²	69.6	41%	0.413	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-46.1	175.8	-67.1	0	0	0	0	111.9	S145 L151 F152 E153	S145-S149 WeakPolarHBondContact O-CB 3.45Å; S145-S149 PolarHBondContact O-N 2.83Å; S145-S149 PolarHBondContact O-OG 2.75Å; S149-L151 PolarHBondContact O-N 2.69Å; S149-F152 PolarHBondContact O-N 3.37Å; S149-E153 WeakPolarHBondContact O-CB 3.3Å; S149-E153 PolarHBondContact O-N 3.5Å
150	S	46.4	Very low	53.7	Low	10 Å²	10	68.8 Å²	68.8	7%	0.07	35%	0.351	C	S	.	.	H	α-helix	trans	-74.2	-22.9	177.4	79.5	0	0	0	0	113.3	F146 K154	F146-S150 WeakPolarHBondContact O-CA 2.99Å; F146-S150 WeakPolarHBondContact O-CB 3.46Å; F146-S150 PolarHBondContact O-N 3.31Å; F146-S150 PolarHBondContact O-OG 3.43Å; S150-K154 WeakPolarHBondContact O-CB 3.39Å; S150-K154 WeakPolarHBondContact O-CD 3.4Å; S150-K154 WeakPolarHBondContact O-CG 3.27Å; S150-K154 PolarHBondContact O-N 2.9Å; S150-K154 PolarHBondContact OG-NZ 3.23Å
151	L	56.6	Low	55.1	Low	44 Å²	44	69.6 Å²	69.6	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-75.2	-36.7	170	-77.9	169.4	0	0	0	110.6	E147 E148 S149 E155	E147-L151 HydrophobicContact CB-CD1 4.26Å; E147-L151 WeakPolarHBondContact O-CA 3.45Å; E147-L151 WeakPolarHBondContact O-CB 3.22Å; E147-L151 WeakPolarHBondContact O-CD1 3.4Å; E147-L151 WeakPolarHBondContact O-CG 3.47Å; E147-L151 PolarHBondContact O-N 2.93Å; E148-L151 PolarHBondContact O-N 3.4Å; S149-L151 PolarHBondContact O-N 2.69Å; L151-E155 WeakPolarHBondContact O-CB 3.38Å; L151-E155 WeakPolarHBondContact O-CG 3.48Å; L151-E155 PolarHBondContact O-N 3.19Å
152	F	64.4	Low	56.8	Low	71 Å²	71	71.6 Å²	71.6	31%	0.311	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-44.8	171.9	-172.2	-106.3	0	0	0	109.5	E148 S149 E155 L156 I173	E148-F152 WeakPolarHBondContact O-CB 3.14Å; E148-F152 PolarHBondContact O-N 2.88Å; S149-F152 PolarHBondContact O-N 3.37Å; F152-E155 CarbonylContact O-C 3.52Å; F152-E155 WeakPolarHBondContact O-CA 3.2Å; F152-E155 WeakPolarHBondContact O-CB 3.41Å; F152-E155 PolarHBondContact O-N 2.87Å; F152-L156 HydrophobicContact CD1-CD1 3.8Å; F152-L156 HydrophobicContact CD1-CD2 4.49Å; F152-L156 HydrophobicContact CD2-CD1 4.11Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CD2 4.12Å; F152-L156 HydrophobicContact CE2-CD1 3.95Å; F152-L156 HydrophobicContact CG-CD1 4.05Å; F152-L156 HydrophobicContact CZ-CD1 3.7Å; F152-L156 WeakPolarHBondContact O-CB 3.37Å; F152-L156 WeakPolarHBondContact O-CD1 3.47Å; F152-L156 PolarHBondContact O-N 3.07Å; F152-I173 HydrophobicContact CZ-CG1 4.11Å
153	E	63.8	Low	58.4	Low	129 Å²	129	80.3 Å²	80.3	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-64.2	-51.2	175	-162	169.9	-153.3	0	0	112.2	S149 E155 L156 E157	S149-E153 WeakPolarHBondContact O-CB 3.3Å; S149-E153 PolarHBondContact O-N 3.5Å; E153-E155 PolarHBondContact O-N 3.14Å; E153-E155 VanDerWaalsContact O-N 3.14Å; E153-L156 CarbonylContact O-C 3.39Å; E153-L156 WeakPolarHBondContact O-CA 3.41Å; E153-L156 WeakPolarHBondContact O-CB 3.19Å; E153-L156 PolarHBondContact O-N 3.44Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.44Å
154	K	64	Low	60.4	Low	97 Å²	97	83.7 Å²	83.7	42%	0.422	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-18.7	171.6	-69.2	159.7	-166.6	150.5	0	113.2	S150 K158	S150-K154 WeakPolarHBondContact O-CB 3.39Å; S150-K154 WeakPolarHBondContact O-CD 3.4Å; S150-K154 WeakPolarHBondContact O-CG 3.27Å; S150-K154 PolarHBondContact O-N 2.9Å; S150-K154 PolarHBondContact OG-NZ 3.23Å; K154-K158 WeakPolarHBondContact O-CD 3.32Å; K154-K158 WeakPolarHBondContact O-CE 3.49Å; K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å
155	E	68.9	Low	62.2	Low	22 Å²	22	81.6 Å²	81.6	10%	0.103	39%	0.388	C	S	.	.	H	α-helix	trans	-84	-40.6	169.9	-86.9	-178.9	-162.2	0	0	111.6	L151 F152 E153 E157 K158 F159 P245 K249	L151-E155 WeakPolarHBondContact O-CB 3.38Å; L151-E155 WeakPolarHBondContact O-CG 3.48Å; L151-E155 PolarHBondContact O-N 3.19Å; F152-E155 CarbonylContact O-C 3.52Å; F152-E155 WeakPolarHBondContact O-CA 3.2Å; F152-E155 WeakPolarHBondContact O-CB 3.41Å; F152-E155 PolarHBondContact O-N 2.87Å; E153-E155 PolarHBondContact O-N 3.14Å; E153-E155 VanDerWaalsContact O-N 3.14Å; E155-E157 VanDerWaalsContact C-N 3.31Å; E155-E157 PolarHBondContact O-N 3.17Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.16Å; E155-F159 WeakPolarHBondContact O-CD2 3.48Å; E155-P245 HydrophobicContact CB-CB 4.49Å; E155-P245 HydrophobicContact CB-CG 3.87Å; E155-P245 HydrophobicContact CG-CB 4.44Å; E155-P245 HydrophobicContact CG-CG 3.65Å; E155-P245 WeakPolarHBondContact OE2-CG 3.15Å; E155-K249 VanDerWaalsContact OE1-CD 3.24Å; E155-K249 WeakPolarHBondContact OE1-CD 3.48Å; E155-K249 WeakPolarHBondContact OE1-CE 3.39Å; E155-K249 IonicContact OE1-NZ 3.15Å; E155-K249 PolarHBondContact OE1-NZ 3.09Å
156	L	71.7	Confident	64	Low	33 Å²	33	86.2 Å²	86.2	17%	0.173	41%	0.408	C	S	.	.	H	α-helix	trans	-60.2	-38.3	173	-98.9	68.3	0	0	0	111.7	F152 E153 K169 I173	F152-L156 HydrophobicContact CD1-CD1 3.8Å; F152-L156 HydrophobicContact CD1-CD2 4.49Å; F152-L156 HydrophobicContact CD2-CD1 4.11Å; F152-L156 HydrophobicContact CE1-CD1 3.62Å; F152-L156 HydrophobicContact CE1-CD2 4.12Å; F152-L156 HydrophobicContact CE2-CD1 3.95Å; F152-L156 HydrophobicContact CG-CD1 4.05Å; F152-L156 HydrophobicContact CZ-CD1 3.7Å; F152-L156 WeakPolarHBondContact O-CB 3.37Å; F152-L156 WeakPolarHBondContact O-CD1 3.47Å; F152-L156 PolarHBondContact O-N 3.07Å; E153-L156 CarbonylContact O-C 3.39Å; E153-L156 WeakPolarHBondContact O-CA 3.41Å; E153-L156 WeakPolarHBondContact O-CB 3.19Å; E153-L156 PolarHBondContact O-N 3.44Å; L156-K169 HydrophobicContact CG-CD 4.47Å; L156-K169 HydrophobicContact CG-CG 4.33Å; L156-K169 WeakPolarHBondContact O-CE 2.96Å; L156-K169 PolarHBondContact O-NZ 3.13Å; L156-I173 HydrophobicContact CD1-CG1 4.34Å; L156-I173 HydrophobicContact CD2-CD1 4.09Å; L156-I173 HydrophobicContact CG-CD1 4.38Å
157	E	67.9	Low	66.2	Low	124 Å²	124	84.2 Å²	84.2	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-65.5	-39.8	173	-71.1	-178.9	150.6	0	0	112.6	E153 E155 F159 D160	E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.44Å; E155-E157 VanDerWaalsContact C-N 3.31Å; E155-E157 PolarHBondContact O-N 3.17Å; E157-F159 PolarHBondContact O-N 2.84Å; E157-F159 VanDerWaalsContact O-N 3.17Å; E157-D160 PolarHBondContact O-N 3.28Å
158	K	72.5	Confident	68.4	Low	84 Å²	84	83.1 Å²	83.1	37%	0.365	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-28.9	-179.2	-78.4	166.4	-170.3	162.7	0	112.6	K154 E155 D160 T161 Q162 P245	K154-K158 WeakPolarHBondContact O-CD 3.32Å; K154-K158 WeakPolarHBondContact O-CE 3.49Å; K154-K158 VanDerWaalsContact O-CG 3.29Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.16Å; K158-D160 VanDerWaalsContact C-N 3.27Å; K158-D160 PolarHBondContact O-N 3.1Å; K158-T161 PolarHBondContact O-N 2.88Å; K158-T161 PolarHBondContact O-OG1 3.12Å; K158-Q162 WeakPolarHBondContact O-CG 3.47Å; K158-P245 HydrophobicContact CB-CB 4.45Å
159	F	74.1	Confident	70.1	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-61.9	-33.6	175.8	-75.2	-77.9	0	0	0	113.2	E155 E157 T161 Q162 G165 R168 K169 W172 A243 P245	E155-F159 WeakPolarHBondContact O-CD2 3.48Å; E157-F159 PolarHBondContact O-N 2.84Å; E157-F159 VanDerWaalsContact O-N 3.17Å; F159-T161 PolarHBondContact O-N 2.69Å; F159-T161 VanDerWaalsContact O-N 3.15Å; F159-Q162 PolarHBondContact O-N 3.06Å; F159-G165 WeakPolarHBondContact O-CA 3.29Å; F159-R168 HydrophobicContact CD1-CB 3.91Å; F159-R168 HydrophobicContact CE1-CB 3.72Å; F159-K169 HydrophobicContact CB-CB 4.01Å; F159-K169 HydrophobicContact CB-CD 4.06Å; F159-K169 HydrophobicContact CB-CG 4.42Å; F159-K169 HydrophobicContact CD1-CB 4.16Å; F159-K169 HydrophobicContact CD2-CB 4.06Å; F159-K169 HydrophobicContact CD2-CD 4.47Å; F159-K169 HydrophobicContact CD2-CG 4.18Å; F159-K169 HydrophobicContact CG-CB 3.82Å; F159-K169 HydrophobicContact CG-CD 4.48Å; F159-K169 HydrophobicContact CG-CG 4.34Å; F159-W172 HydrophobicContact CE2-CB 4.45Å; F159-W172 AromaticContact CE2-CD1 3.98Å; F159-W172 HydrophobicContact CE2-CG 4.24Å; F159-W172 HydrophobicContact CZ-CB 3.87Å; F159-W172 HydrophobicContact CZ-CD2 4.46Å; F159-W172 AromaticContact CZ-CG 3.86Å; F159-W172 HydrophobicContact CZ-CG 3.86Å; F159-A243 WeakPolarHBondContact CE1-O 3.35Å; F159-A243 WeakPolarHBondContact CZ-O 3.42Å; F159-P245 HydrophobicContact CD2-CB 4.32Å; F159-P245 HydrophobicContact CE1-CB 4.32Å; F159-P245 HydrophobicContact CE2-CB 3.79Å; F159-P245 HydrophobicContact CE2-CG 4.06Å; F159-P245 HydrophobicContact CZ-CB 3.8Å; F159-P245 HydrophobicContact CZ-CG 4.1Å
160	D	69.3	Low	72	Confident	90 Å²	90	82.5 Å²	82.5	48%	0.481	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-67.9	-17.5	-175.2	-63.1	-50.2	0	0	0	112.3	E157 K158 Q166 K169	E157-D160 PolarHBondContact O-N 3.28Å; K158-D160 VanDerWaalsContact C-N 3.27Å; K158-D160 PolarHBondContact O-N 3.1Å; D160-Q166 PolarHBondContact OD1-NE2 3.07Å; D160-K169 IonicContact OD1-NZ 2.6Å; D160-K169 IonicContact OD2-NZ 3.83Å; D160-K169 PolarHBondContact OD2-NZ 3.31Å; D160-K169 VanDerWaalsContact OD2-NZ 3.15Å
161	T	69.4	Low	73.9	Confident	123 Å²	123	84.9 Å²	84.9	76%	0.755	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-90.5	-5.1	172.5	68.4	0	0	0	0	114.8	K158 F159	K158-T161 PolarHBondContact O-N 2.88Å; K158-T161 PolarHBondContact O-OG1 3.12Å; F159-T161 PolarHBondContact O-N 2.69Å; F159-T161 VanDerWaalsContact O-N 3.15Å
162	Q	75.3	Confident	75.4	Confident	60 Å²	60	83.4 Å²	83.4	28%	0.28	39%	0.387	S	S	.	.	S	Bend	trans	-107.7	150.2	-169.6	-66.8	-177.1	6.3	0	0	113.4	K158 F159 F164 G165 P245	K158-Q162 WeakPolarHBondContact O-CG 3.47Å; F159-Q162 PolarHBondContact O-N 3.06Å; Q162-F164 PolarHBondContact O-N 3.25Å; Q162-G165 WeakPolarHBondContact O-CA 3.36Å; Q162-G165 PolarHBondContact O-N 3.04Å; Q162-P245 PolarHBondContact NE2-O 3.49Å
163	R	71.6	Confident	76.3	Confident	226 Å²	226	81 Å²	81	85%	0.853	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	134.1	173.4	-60.8	-167.3	-159.1	175.8	7.7	110.1	G165	R163-G165 PolarHBondContact O-N 2.99Å
164	F	78.3	Confident	77.3	Confident	164 Å²	164	80 Å²	80	72%	0.719	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	26.9	-173.6	-56.6	-77.3	0	0	0	114.1	Q162 Q166 L167 R168	Q162-F164 PolarHBondContact O-N 3.25Å; F164-Q166 PolarHBondContact O-N 3.39Å; F164-L167 PolarHBondContact O-N 3.29Å; F164-R168 PolarHBondContact O-N 3.28Å
165	G	78.7	Confident	78.3	Confident	7 Å²	7	76.7 Å²	76.7	7%	0.072	35%	0.354	C	S	.	.	H	α-helix	trans	-45	-52.9	-177.2	0	0	0	0	0	114.2	F159 Q162 R163 L167 R168 K169	F159-G165 WeakPolarHBondContact O-CA 3.29Å; Q162-G165 WeakPolarHBondContact O-CA 3.36Å; Q162-G165 PolarHBondContact O-N 3.04Å; R163-G165 PolarHBondContact O-N 2.99Å; G165-L167 VanDerWaalsContact C-N 3.34Å; G165-L167 PolarHBondContact O-N 2.8Å; G165-R168 PolarHBondContact O-N 2.81Å; G165-K169 VanDerWaalsContact O-CB 3.23Å; G165-K169 WeakPolarHBondContact O-CB 3.29Å; G165-K169 PolarHBondContact O-N 3.18Å
166	Q	79.7	Confident	79	Confident	114 Å²	114	78.1 Å²	78.1	53%	0.533	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-37.6	-179.4	-62.4	-58.7	-19.4	0	0	114	D160 F164 K170	D160-Q166 PolarHBondContact OD1-NE2 3.07Å; F164-Q166 PolarHBondContact O-N 3.39Å; Q166-K170 WeakPolarHBondContact O-CG 3.49Å; Q166-K170 PolarHBondContact O-N 3.5Å; Q166-K170 VanDerWaalsContact O-N 3.15Å
167	L	84.2	Confident	79.3	Confident	104 Å²	104	77.5 Å²	77.5	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-72.6	-42.6	177.3	-178.6	61.8	0	0	0	110.8	F164 G165 K170 I171	F164-L167 PolarHBondContact O-N 3.29Å; G165-L167 VanDerWaalsContact C-N 3.34Å; G165-L167 PolarHBondContact O-N 2.8Å; L167-K170 PolarHBondContact O-N 2.71Å; L167-I171 HydrophobicContact CD1-CD1 4.22Å; L167-I171 HydrophobicContact CG-CD1 4.03Å; L167-I171 WeakPolarHBondContact O-CG1 3.1Å; L167-I171 PolarHBondContact O-N 2.84Å
168	R	86.6	Confident	79.9	Confident	58 Å²	58	74.6 Å²	74.6	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-66	-40.9	178.6	-64.3	176	70	-128.6	-7.2	111.4	F159 F164 G165 I171 W172 A242 A244	F159-R168 HydrophobicContact CD1-CB 3.91Å; F159-R168 HydrophobicContact CE1-CB 3.72Å; F164-R168 PolarHBondContact O-N 3.28Å; G165-R168 PolarHBondContact O-N 2.81Å; R168-I171 PolarHBondContact O-N 3.08Å; R168-W172 VanDerWaalsContact O-CB 3.25Å; R168-W172 WeakPolarHBondContact O-CB 3.37Å; R168-W172 PolarHBondContact O-N 3.21Å; R168-A242 VanDerWaalsContact CZ-O 3.24Å; R168-A242 PolarHBondContact NE-O 3.3Å; R168-A242 PolarHBondContact NH2-O 3.25Å; R168-A244 PolarHBondContact NH2-O 2.88Å
169	K	84.3	Confident	79.8	Confident	36 Å²	36	71.9 Å²	71.9	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-56.1	-50.2	171.5	-172.8	166.9	179.2	159.6	0	111.3	L156 F159 D160 G165 I171 W172 I173	L156-K169 HydrophobicContact CG-CD 4.47Å; L156-K169 HydrophobicContact CG-CG 4.33Å; L156-K169 WeakPolarHBondContact O-CE 2.96Å; L156-K169 PolarHBondContact O-NZ 3.13Å; F159-K169 HydrophobicContact CB-CB 4.01Å; F159-K169 HydrophobicContact CB-CD 4.06Å; F159-K169 HydrophobicContact CB-CG 4.42Å; F159-K169 HydrophobicContact CD1-CB 4.16Å; F159-K169 HydrophobicContact CD2-CB 4.06Å; F159-K169 HydrophobicContact CD2-CD 4.47Å; F159-K169 HydrophobicContact CD2-CG 4.18Å; F159-K169 HydrophobicContact CG-CB 3.82Å; F159-K169 HydrophobicContact CG-CD 4.48Å; F159-K169 HydrophobicContact CG-CG 4.34Å; D160-K169 IonicContact OD1-NZ 2.6Å; D160-K169 IonicContact OD2-NZ 3.83Å; D160-K169 PolarHBondContact OD2-NZ 3.31Å; D160-K169 VanDerWaalsContact OD2-NZ 3.15Å; G165-K169 VanDerWaalsContact O-CB 3.23Å; G165-K169 WeakPolarHBondContact O-CB 3.29Å; G165-K169 PolarHBondContact O-N 3.18Å; K169-I171 PolarHBondContact O-N 3.35Å; K169-W172 PolarHBondContact O-N 3.26Å; K169-I173 HydrophobicContact CG-CD1 3.91Å; K169-I173 WeakPolarHBondContact O-CD1 3.35Å; K169-I173 VanDerWaalsContact O-CG1 3.25Å; K169-I173 WeakPolarHBondContact O-CG1 2.93Å; K169-I173 PolarHBondContact O-N 3.06Å
170	K	83.9	Confident	79.9	Confident	136 Å²	136	75.9 Å²	75.9	59%	0.591	36%	0.361	S	S	*	.	H	α-helix	trans	-62.1	-38.2	176.5	-74.8	-174.8	179.7	-163.2	0	113.8	Q166 L167 R174	Q166-K170 WeakPolarHBondContact O-CG 3.49Å; Q166-K170 PolarHBondContact O-N 3.5Å; Q166-K170 VanDerWaalsContact O-N 3.15Å; L167-K170 PolarHBondContact O-N 2.71Å; K170-R174 WeakPolarHBondContact O-CB 3.17Å; K170-R174 PolarHBondContact O-N 2.88Å
171	I	87.6	Confident	80.6	Confident	61 Å²	61	73.1 Å²	73.1	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-70.7	-44.6	176.2	-66.1	166.2	0	0	0	110.6	L167 R168 K169 R174 M175 V239 A243	L167-I171 HydrophobicContact CD1-CD1 4.22Å; L167-I171 HydrophobicContact CG-CD1 4.03Å; L167-I171 WeakPolarHBondContact O-CG1 3.1Å; L167-I171 PolarHBondContact O-N 2.84Å; R168-I171 PolarHBondContact O-N 3.08Å; K169-I171 PolarHBondContact O-N 3.35Å; I171-R174 PolarHBondContact O-N 3.14Å; I171-M175 HydrophobicContact CG2-CG 4.24Å; I171-M175 WeakPolarHBondContact O-CB 3.01Å; I171-M175 WeakPolarHBondContact O-CG 2.95Å; I171-M175 PolarHBondContact O-N 2.83Å; I171-V239 HydrophobicContact CG2-CG1 3.68Å; I171-A243 HydrophobicContact CB-CB 4.25Å; I171-A243 HydrophobicContact CG2-CB 3.83Å
172	W	87.1	Confident	81.3	Confident	13 Å²	13	73.6 Å²	73.6	5%	0.049	35%	0.346	C	S	.	.	H	α-helix	trans	-57.4	-53.4	179	-177.3	-107.8	0	0	0	111.6	F159 R168 K169 R174 M175 E176 R240 A243 A244 F250	F159-W172 HydrophobicContact CE2-CB 4.45Å; F159-W172 AromaticContact CE2-CD1 3.98Å; F159-W172 HydrophobicContact CE2-CG 4.24Å; F159-W172 HydrophobicContact CZ-CB 3.87Å; F159-W172 HydrophobicContact CZ-CD2 4.46Å; F159-W172 AromaticContact CZ-CG 3.86Å; F159-W172 HydrophobicContact CZ-CG 3.86Å; R168-W172 VanDerWaalsContact O-CB 3.25Å; R168-W172 WeakPolarHBondContact O-CB 3.37Å; R168-W172 PolarHBondContact O-N 3.21Å; K169-W172 PolarHBondContact O-N 3.26Å; W172-R174 VanDerWaalsContact C-N 3.31Å; W172-R174 PolarHBondContact O-N 3.31Å; W172-M175 PolarHBondContact O-N 2.85Å; W172-M175 VanDerWaalsContact O-N 3.07Å; W172-E176 PolarHBondContact O-N 3.16Å; W172-R240 WeakPolarHBondContact CZ3-O 3.46Å; W172-A243 HydrophobicContact CB-CB 4.16Å; W172-A243 HydrophobicContact CE3-CB 4.06Å; W172-A244 HydrophobicContact CE3-CB 4.26Å; W172-A244 HydrophobicContact CH2-CB 4.07Å; W172-A244 HydrophobicContact CZ3-CB 3.65Å; W172-F250 HydrophobicContact CH2-CD2 4.04Å; W172-F250 HydrophobicContact CH2-CE2 4.29Å; W172-F250 HydrophobicContact CZ3-CD2 4.15Å; W172-F250 HydrophobicContact CZ3-CE2 4.14Å
173	I	83.2	Confident	81.9	Confident	20 Å²	20	72.8 Å²	72.8	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-44.4	178.9	-64.7	163.6	0	0	0	110.8	F152 L156 K169 M175 E176 N177 H180	F152-I173 HydrophobicContact CZ-CG1 4.11Å; L156-I173 HydrophobicContact CD1-CG1 4.34Å; L156-I173 HydrophobicContact CD2-CD1 4.09Å; L156-I173 HydrophobicContact CG-CD1 4.38Å; K169-I173 HydrophobicContact CG-CD1 3.91Å; K169-I173 WeakPolarHBondContact O-CD1 3.35Å; K169-I173 VanDerWaalsContact O-CG1 3.25Å; K169-I173 WeakPolarHBondContact O-CG1 2.93Å; K169-I173 PolarHBondContact O-N 3.06Å; I173-M175 VanDerWaalsContact C-N 3.27Å; I173-M175 PolarHBondContact O-N 3.33Å; I173-E176 PolarHBondContact O-N 3.33Å; I173-N177 PolarHBondContact O-N 2.68Å; I173-H180 HydrophobicContact CG2-CB 4.19Å; I173-H180 WeakPolarHBondContact CG2-CD2 3.35Å
174	R	85.9	Confident	82.6	Confident	109 Å²	109	62.1 Å²	62.1	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-25.6	178.6	-176.3	175.3	-63.7	172.9	-2.9	114.3	K170 I171 W172 S183 A184 I187	K170-R174 WeakPolarHBondContact O-CB 3.17Å; K170-R174 PolarHBondContact O-N 2.88Å; I171-R174 PolarHBondContact O-N 3.14Å; W172-R174 VanDerWaalsContact C-N 3.31Å; W172-R174 PolarHBondContact O-N 3.31Å; R174-S183 PolarHBondContact NE-OG 2.88Å; R174-S183 VanDerWaalsContact NE-OG 3.12Å; R174-A184 HydrophobicContact CG-CB 3.97Å; R174-A184 WeakPolarHBondContact O-CB 3.2Å; R174-I187 HydrophobicContact CG-CD1 3.84Å
175	M	85.2	Confident	83.1	Confident	26 Å²	26	59.2 Å²	59.2	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-92.4	-22.1	-178.5	-71.1	-70.1	-69.1	0	0	113.6	I171 W172 I173 I187 E236 V239 R240	I171-M175 HydrophobicContact CG2-CG 4.24Å; I171-M175 WeakPolarHBondContact O-CB 3.01Å; I171-M175 WeakPolarHBondContact O-CG 2.95Å; I171-M175 PolarHBondContact O-N 2.83Å; W172-M175 PolarHBondContact O-N 2.85Å; W172-M175 VanDerWaalsContact O-N 3.07Å; I173-M175 VanDerWaalsContact C-N 3.27Å; I173-M175 PolarHBondContact O-N 3.33Å; M175-I187 HydrophobicContact SD-CG2 4.01Å; M175-E236 HydrophobicContact CE-CG 3.73Å; M175-V239 HydrophobicContact CE-CB 4.35Å; M175-V239 HydrophobicContact CE-CG1 4.05Å; M175-V239 HydrophobicContact CG-CG1 4.14Å; M175-V239 HydrophobicContact SD-CG1 4.19Å; M175-R240 HydrophobicContact CB-CG 4.25Å; M175-R240 HydrophobicContact CE-CG 3.83Å
176	E	82	Confident	83.7	Confident	53 Å²	53	63.9 Å²	63.9	25%	0.248	32%	0.316	C	S	.	.	H	α-helix	trans	-109.4	-30.9	-175.3	-152.5	66.5	-167.7	0	0	113.4	W172 I173 P178 R240 R305	W172-E176 PolarHBondContact O-N 3.16Å; I173-E176 PolarHBondContact O-N 3.33Å; E176-P178 WeakPolarHBondContact O-CD 3.31Å; E176-R240 IonicContact OE2-NE 3.9Å; E176-R305 IonicContact OE1-CZ 3.84Å; E176-R305 IonicContact OE1-NH1 3.03Å; E176-R305 PolarHBondContact OE1-NH1 3.05Å; E176-R305 IonicContact OE2-CZ 3.66Å; E176-R305 IonicContact OE2-NH1 3.78Å; E176-R305 PolarHBondContact OE2-NH1 3.27Å
177	N	78.6	Confident	84.2	Confident	20 Å²	20	61.1 Å²	61.1	11%	0.107	31%	0.305	C	S	.	.			trans	-109.3	101.1	172.9	178.2	-6.7	0	0	0	110.4	I173 A179 H180 A184 D427	I173-N177 PolarHBondContact O-N 2.68Å; N177-A179 VanDerWaalsContact C-N 3.27Å; N177-A179 PolarHBondContact O-N 3.47Å; N177-A179 WeakPolarHBondContact OD1-CA 3.42Å; N177-A179 VanDerWaalsContact OD1-CB 3.3Å; N177-A179 WeakPolarHBondContact OD1-CB 3.15Å; N177-A179 PolarHBondContact OD1-N 3Å; N177-H180 HydrophobicContact CB-CB 4.3Å; N177-H180 PolarHBondContact OD1-N 2.95Å; N177-A184 WeakPolarHBondContact O-CB 3.48Å; N177-D427 PolarHBondContact ND2-OD2 3.12Å; N177-D427 VanDerWaalsContact ND2-OD2 3.16Å
178	P	79.5	Confident	84.5	Confident	62 Å²	62	57 Å²	57	40%	0.403	29%	0.286	S	S	.	.	S	Bend	trans	-62.6	-28.7	174.6	-24.3	35.3	0	0	0	114.1	E176 K185 A188	E176-P178 WeakPolarHBondContact O-CD 3.31Å; P178-K185 WeakPolarHBondContact O-CG 3.31Å; P178-K185 PolarHBondContact O-N 3.46Å; P178-A188 HydrophobicContact CB-CB 3.79Å; P178-A188 HydrophobicContact CG-CB 4.02Å
179	A	72.3	Confident	84.7	Confident	28 Å²	28	59.1 Å²	59.1	23%	0.231	30%	0.301	C	S	.	.	S	Bend	trans	-73	-35.4	-173.7	0	0	0	0	0	113.2	N177 C181 K185 C424	N177-A179 VanDerWaalsContact C-N 3.27Å; N177-A179 PolarHBondContact O-N 3.47Å; N177-A179 WeakPolarHBondContact OD1-CA 3.42Å; N177-A179 VanDerWaalsContact OD1-CB 3.3Å; N177-A179 WeakPolarHBondContact OD1-CB 3.15Å; N177-A179 PolarHBondContact OD1-N 3Å; A179-C181 VanDerWaalsContact C-N 3.26Å; A179-C181 PolarHBondContact O-N 2.73Å; A179-K185 VanDerWaalsContact O-CE 3.27Å; A179-K185 WeakPolarHBondContact O-CE 3.29Å; A179-C424 VanDerWaalsContact CB-SG 3.53Å
180	H	75.2	Confident	85.2	Confident	84 Å²	84	59.2 Å²	59.2	39%	0.389	31%	0.305	S	S	.	.	S	Bend	trans	-47	-36.3	-170.8	179.4	-77.3	0	0	0	115.7	I173 N177 D427	I173-H180 HydrophobicContact CG2-CB 4.19Å; I173-H180 WeakPolarHBondContact CG2-CD2 3.35Å; N177-H180 HydrophobicContact CB-CB 4.3Å; N177-H180 PolarHBondContact OD1-N 2.95Å; H180-D427 WeakPolarHBondContact CA-OD2 3.45Å; H180-D427 IonicContact CD2-OD1 3.85Å; H180-D427 IonicContact CD2-OD2 2.64Å
181	C	83.7	Confident	85.6	Confident	32 Å²	32	52.8 Å²	52.8	22%	0.216	28%	0.278	C	S	.	.			trans	-158.8	162.1	176.1	62.1	0	0	0	0	113	A179 S183 A184 K185	A179-C181 VanDerWaalsContact C-N 3.26Å; A179-C181 PolarHBondContact O-N 2.73Å; C181-S183 PolarHBondContact O-N 3.44Å; C181-S183 VanDerWaalsContact O-N 3.15Å; C181-S183 PolarHBondContact SG-OG 3.25Å; C181-A184 WeakPolarHBondContact O-CA 3.3Å; C181-A184 WeakPolarHBondContact O-CB 3.27Å; C181-A184 PolarHBondContact O-N 2.97Å; C181-A184 PolarHBondContact SG-N 3.45Å; C181-A184 VanDerWaalsContact SG-N 3.43Å; C181-K185 PolarHBondContact O-N 3.05Å
182	L	85.4	Confident	85.9	Confident	133 Å²	133	52.8 Å²	52.8	70%	0.696	28%	0.278	S	S	*	.	H	α-helix	trans	-53.3	-38.7	177.4	-174.8	65.4	0	0	0	112.6	A184 K185 L186	L182-A184 PolarHBondContact O-N 3.31Å; L182-K185 PolarHBondContact O-N 3.12Å; L182-L186 HydrophobicContact CG-CD1 4.48Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 2.93Å
183	S	85.9	Confident	86.2	Confident	43 Å²	43	55.2 Å²	55.2	30%	0.301	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-31.2	176.6	68.3	0	0	0	0	113.7	R174 C181 I187	R174-S183 PolarHBondContact NE-OG 2.88Å; R174-S183 VanDerWaalsContact NE-OG 3.12Å; C181-S183 PolarHBondContact O-N 3.44Å; C181-S183 VanDerWaalsContact O-N 3.15Å; C181-S183 PolarHBondContact SG-OG 3.25Å; S183-I187 WeakPolarHBondContact O-CD1 3.45Å; S183-I187 VanDerWaalsContact O-CG1 3.26Å; S183-I187 WeakPolarHBondContact O-CG1 3.37Å; S183-I187 PolarHBondContact O-N 2.9Å
184	A	87.1	Confident	86.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-43.1	172.6	0	0	0	0	0	110.7	R174 N177 C181 L182 L186 I187 A188	R174-A184 HydrophobicContact CG-CB 3.97Å; R174-A184 WeakPolarHBondContact O-CB 3.2Å; N177-A184 WeakPolarHBondContact O-CB 3.48Å; C181-A184 WeakPolarHBondContact O-CA 3.3Å; C181-A184 WeakPolarHBondContact O-CB 3.27Å; C181-A184 PolarHBondContact O-N 2.97Å; C181-A184 PolarHBondContact SG-N 3.45Å; C181-A184 VanDerWaalsContact SG-N 3.43Å; L182-A184 PolarHBondContact O-N 3.31Å; A184-L186 PolarHBondContact O-N 3.2Å; A184-I187 PolarHBondContact O-N 3.47Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 2.63Å
185	K	88.5	Confident	87.2	Confident	103 Å²	103	50.5 Å²	50.5	45%	0.448	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-46.8	173.7	-63.3	-176.1	180	177.3	0	111.7	P178 A179 C181 L182 A188 I189	P178-K185 WeakPolarHBondContact O-CG 3.31Å; P178-K185 PolarHBondContact O-N 3.46Å; A179-K185 VanDerWaalsContact O-CE 3.27Å; A179-K185 WeakPolarHBondContact O-CE 3.29Å; C181-K185 PolarHBondContact O-N 3.05Å; L182-K185 PolarHBondContact O-N 3.12Å; K185-A188 PolarHBondContact O-N 2.61Å; K185-I189 WeakPolarHBondContact O-CB 3.46Å; K185-I189 WeakPolarHBondContact O-CD1 3.44Å; K185-I189 VanDerWaalsContact O-CG1 3.23Å; K185-I189 WeakPolarHBondContact O-CG1 3.15Å; K185-I189 PolarHBondContact O-N 2.71Å
186	L	90.9	Very high	87.7	Confident	105 Å²	105	53.5 Å²	53.5	55%	0.55	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-42.1	176.8	-70	173.6	0	0	0	112.5	L182 A184 I189 S190	L182-L186 HydrophobicContact CG-CD1 4.48Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 2.93Å; A184-L186 PolarHBondContact O-N 3.2Å; L186-I189 PolarHBondContact O-N 2.78Å; L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.8Å; L186-S190 PolarHBondContact O-OG 3Å
187	I	90.8	Very high	88.2	Confident	57 Å²	57	53.1 Å²	53.1	29%	0.292	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-46.3	175.6	-71.3	164.1	0	0	0	110.7	R174 M175 S183 A184 I189 S190 S191	R174-I187 HydrophobicContact CG-CD1 3.84Å; M175-I187 HydrophobicContact SD-CG2 4.01Å; S183-I187 WeakPolarHBondContact O-CD1 3.45Å; S183-I187 VanDerWaalsContact O-CG1 3.26Å; S183-I187 WeakPolarHBondContact O-CG1 3.37Å; S183-I187 PolarHBondContact O-N 2.9Å; A184-I187 PolarHBondContact O-N 3.47Å; I187-I189 PolarHBondContact O-N 3.43Å; I187-S190 WeakPolarHBondContact CA-OG 3.47Å; I187-S190 PolarHBondContact O-N 2.87Å; I187-S190 PolarHBondContact O-OG 3.02Å; I187-S191 PolarHBondContact O-N 2.84Å
188	A	90.3	Very high	88.9	Confident	18 Å²	18	52.2 Å²	52.2	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-46.1	177.4	0	0	0	0	0	112.3	P178 A184 K185 S190 S191 L192	P178-A188 HydrophobicContact CB-CB 3.79Å; P178-A188 HydrophobicContact CG-CB 4.02Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 2.63Å; K185-A188 PolarHBondContact O-N 2.61Å; A188-S190 VanDerWaalsContact C-N 3.35Å; A188-S190 PolarHBondContact O-N 3.42Å; A188-S191 PolarHBondContact O-N 2.88Å; A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 PolarHBondContact O-N 2.9Å
189	I	91.9	Very high	89.5	Confident	102 Å²	102	50.8 Å²	50.8	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-41.8	176.3	-69.5	164.6	0	0	0	111.3	K185 L186 I187 L192 S193	K185-I189 WeakPolarHBondContact O-CB 3.46Å; K185-I189 WeakPolarHBondContact O-CD1 3.44Å; K185-I189 VanDerWaalsContact O-CG1 3.23Å; K185-I189 WeakPolarHBondContact O-CG1 3.15Å; K185-I189 PolarHBondContact O-N 2.71Å; L186-I189 PolarHBondContact O-N 2.78Å; I187-I189 PolarHBondContact O-N 3.43Å; I189-L192 PolarHBondContact O-N 3.14Å; I189-S193 WeakPolarHBondContact O-CB 3.3Å; I189-S193 PolarHBondContact O-N 3.1Å; I189-S193 PolarHBondContact O-OG 3.28Å
190	S	93.2	Very high	90.5	Very high	37 Å²	37	53.9 Å²	53.9	26%	0.259	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-44.5	177.1	68.5	0	0	0	0	112.2	L186 I187 A188 L192 S193 V194 W232	L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.8Å; L186-S190 PolarHBondContact O-OG 3Å; I187-S190 WeakPolarHBondContact CA-OG 3.47Å; I187-S190 PolarHBondContact O-N 2.87Å; I187-S190 PolarHBondContact O-OG 3.02Å; A188-S190 VanDerWaalsContact C-N 3.35Å; A188-S190 PolarHBondContact O-N 3.42Å; S190-L192 PolarHBondContact O-N 3.05Å; S190-S193 WeakPolarHBondContact O-CB 3.46Å; S190-S193 PolarHBondContact O-N 3.07Å; S190-V194 WeakPolarHBondContact O-CG2 3.5Å; S190-V194 PolarHBondContact O-N 2.69Å; S190-W232 WeakPolarHBondContact OG-CZ2 3.29Å
191	S	93.1	Very high	91.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-46.1	174.1	178.5	0	0	0	0	111.7	I187 A188 S193 V194 V195 E236 H306	I187-S191 PolarHBondContact O-N 2.84Å; A188-S191 PolarHBondContact O-N 2.88Å; S191-S193 VanDerWaalsContact C-N 3.33Å; S191-S193 PolarHBondContact O-N 2.64Å; S191-V194 PolarHBondContact O-N 2.76Å; S191-V195 WeakPolarHBondContact O-CG2 3.28Å; S191-V195 PolarHBondContact O-N 3.2Å; S191-E236 WeakPolarHBondContact CB-OE2 3.3Å; S191-E236 VanDerWaalsContact OG-CD 3.24Å; S191-E236 PolarHBondContact OG-OE1 3.41Å; S191-E236 PolarHBondContact OG-OE2 3.01Å; S191-H306 PolarHBondContact OG-NE2 3.48Å
192	L	93.8	Very high	91.2	Very high	60 Å²	60	50.6 Å²	50.6	31%	0.314	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175.4	177.7	59.6	0	0	0	112	A188 I189 S190 V195 L196 L303 H306	A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 PolarHBondContact O-N 2.9Å; I189-L192 PolarHBondContact O-N 3.14Å; S190-L192 PolarHBondContact O-N 3.05Å; L192-V195 PolarHBondContact O-N 3.17Å; L192-L196 HydrophobicContact CD1-CD1 4.37Å; L192-L196 HydrophobicContact CD1-CG 4.33Å; L192-L196 HydrophobicContact CG-CD1 4.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.13Å; L192-L303 HydrophobicContact CD1-CD2 3.67Å; L192-H306 HydrophobicContact CD1-CB 4.05Å
193	S	94.4	Very high	91.3	Very high	65 Å²	65	47.6 Å²	47.6	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-41.5	178.4	-61.4	0	0	0	0	112.2	I189 S190 S191 L196 A197	I189-S193 WeakPolarHBondContact O-CB 3.3Å; I189-S193 PolarHBondContact O-N 3.1Å; I189-S193 PolarHBondContact O-OG 3.28Å; S190-S193 WeakPolarHBondContact O-CB 3.46Å; S190-S193 PolarHBondContact O-N 3.07Å; S191-S193 VanDerWaalsContact C-N 3.33Å; S191-S193 PolarHBondContact O-N 2.64Å; S193-L196 PolarHBondContact O-N 3.32Å; S193-A197 WeakPolarHBondContact O-CB 3.48Å; S193-A197 PolarHBondContact O-N 3.32Å
194	V	95.3	Very high	91.4	Very high	30 Å²	30	47.3 Å²	47.3	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-37.3	174	178.1	0	0	0	0	111.4	S190 S191 A197 S198 C229 W232 F233	S190-V194 WeakPolarHBondContact O-CG2 3.5Å; S190-V194 PolarHBondContact O-N 2.69Å; S191-V194 PolarHBondContact O-N 2.76Å; V194-A197 PolarHBondContact O-N 3.45Å; V194-S198 WeakPolarHBondContact O-CB 3.33Å; V194-S198 PolarHBondContact O-N 2.76Å; V194-C229 HydrophobicContact CG1-CB 4.16Å; V194-W232 HydrophobicContact CB-CG 4.37Å; V194-W232 HydrophobicContact CG1-CB 4.05Å; V194-W232 HydrophobicContact CG1-CG 3.99Å; V194-W232 HydrophobicContact CG2-CD2 4.11Å; V194-W232 HydrophobicContact CG2-CG 4.08Å; V194-F233 HydrophobicContact CB-CE1 4.38Å; V194-F233 HydrophobicContact CG1-CD1 4.28Å; V194-F233 HydrophobicContact CG1-CE1 3.72Å; V194-F233 HydrophobicContact CG1-CZ 4.35Å
195	V	94.4	Very high	91	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-50.9	172.5	173	0	0	0	0	110.6	S191 L192 A197 S198 I199 F233 K302 L303	S191-V195 WeakPolarHBondContact O-CG2 3.28Å; S191-V195 PolarHBondContact O-N 3.2Å; L192-V195 PolarHBondContact O-N 3.17Å; V195-A197 PolarHBondContact O-N 3.14Å; V195-S198 PolarHBondContact O-N 2.98Å; V195-S198 PolarHBondContact O-OG 3.36Å; V195-I199 HydrophobicContact CG1-CD1 3.99Å; V195-I199 WeakPolarHBondContact O-CG1 3.27Å; V195-I199 PolarHBondContact O-N 3.15Å; V195-I199 VanDerWaalsContact O-N 3.07Å; V195-F233 HydrophobicContact CB-CZ 4.48Å; V195-F233 HydrophobicContact CG2-CE1 3.69Å; V195-F233 HydrophobicContact CG2-CZ 3.87Å; V195-K302 HydrophobicContact CG2-CB 4.25Å; V195-K302 HydrophobicContact CG2-CD 3.88Å; V195-K302 HydrophobicContact CG2-CG 3.94Å; V195-L303 HydrophobicContact CB-CD2 4.46Å; V195-L303 HydrophobicContact CG1-CD2 3.58Å; V195-L303 HydrophobicContact CG1-CG 3.83Å
196	L	94.6	Very high	90.6	Very high	89 Å²	89	48.3 Å²	48.3	47%	0.466	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-44	178.2	-67.2	172.5	0	0	0	112.2	L192 S193 S198 I199 V200 L303	L192-L196 HydrophobicContact CD1-CD1 4.37Å; L192-L196 HydrophobicContact CD1-CG 4.33Å; L192-L196 HydrophobicContact CG-CD1 4.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.13Å; S193-L196 PolarHBondContact O-N 3.32Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 2.83Å; L196-I199 PolarHBondContact O-N 3.13Å; L196-I199 VanDerWaalsContact O-N 3.16Å; L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 3.08Å; L196-L303 HydrophobicContact CD2-CD2 4.26Å
197	A	93.8	Very high	90.2	Very high	45 Å²	45	46.9 Å²	46.9	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-42.6	175	0	0	0	0	0	112.1	S193 V194 V195 I199 V200 A201	S193-A197 WeakPolarHBondContact O-CB 3.48Å; S193-A197 PolarHBondContact O-N 3.32Å; V194-A197 PolarHBondContact O-N 3.45Å; V195-A197 PolarHBondContact O-N 3.14Å; A197-I199 VanDerWaalsContact C-N 3.29Å; A197-I199 PolarHBondContact O-N 2.71Å; A197-V200 PolarHBondContact O-N 3.21Å; A197-A201 WeakPolarHBondContact O-CB 3.38Å; A197-A201 PolarHBondContact O-N 3.47Å
198	S	93	Very high	89.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-30.6	177	79.4	0	0	0	0	113.2	V194 V195 L196 M202 R299	V194-S198 WeakPolarHBondContact O-CB 3.33Å; V194-S198 PolarHBondContact O-N 2.76Å; V195-S198 PolarHBondContact O-N 2.98Å; V195-S198 PolarHBondContact O-OG 3.36Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 2.83Å; S198-M202 WeakPolarHBondContact O-CB 3.47Å; S198-M202 PolarHBondContact O-N 3.12Å; S198-M202 VanDerWaalsContact O-N 3.07Å; S198-R299 VanDerWaalsContact O-CZ 3.23Å; S198-R299 PolarHBondContact O-NE 2.97Å; S198-R299 VanDerWaalsContact O-NE 3.09Å; S198-R299 PolarHBondContact O-NH2 3.36Å
199	I	92.4	Very high	88.3	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.159	33%	0.325	C	S	.	.	H	α-helix	trans	-72.9	-45	175.6	-63.8	168.9	0	0	0	109.7	V195 L196 A197 A201 M202 C203 I300 L303	V195-I199 HydrophobicContact CG1-CD1 3.99Å; V195-I199 WeakPolarHBondContact O-CG1 3.27Å; V195-I199 PolarHBondContact O-N 3.15Å; V195-I199 VanDerWaalsContact O-N 3.07Å; L196-I199 PolarHBondContact O-N 3.13Å; L196-I199 VanDerWaalsContact O-N 3.16Å; A197-I199 VanDerWaalsContact C-N 3.29Å; A197-I199 PolarHBondContact O-N 2.71Å; I199-A201 PolarHBondContact O-N 2.99Å; I199-M202 WeakPolarHBondContact O-CB 3.45Å; I199-M202 PolarHBondContact O-N 2.91Å; I199-M202 VanDerWaalsContact O-N 3.12Å; I199-C203 PolarHBondContact O-N 2.88Å; I199-C203 PolarHBondContact O-SG 2.88Å; I199-C203 VanDerWaalsContact O-SG 3.38Å; I199-I300 HydrophobicContact CD1-CB 4.46Å; I199-I300 HydrophobicContact CD1-CG1 4.02Å; I199-I300 HydrophobicContact CG1-CG1 3.94Å; I199-I300 HydrophobicContact CG2-CG1 4.49Å; I199-L303 HydrophobicContact CD1-CD1 3.86Å; I199-L303 HydrophobicContact CD1-CG 4.26Å
200	V	91.8	Very high	87	Confident	93 Å²	93	55.2 Å²	55.2	56%	0.564	32%	0.322	S	S	*	.	H	α-helix	trans	-59.7	-47	174.8	174.8	0	0	0	0	111	L196 A197 M202 C203 V204	L196-V200 WeakPolarHBondContact O-CG2 3.44Å; L196-V200 PolarHBondContact O-N 3.08Å; A197-V200 PolarHBondContact O-N 3.21Å; V200-M202 PolarHBondContact O-N 2.87Å; V200-C203 WeakPolarHBondContact O-CB 3.4Å; V200-C203 PolarHBondContact O-N 3.45Å; V200-C203 VanDerWaalsContact O-N 3.08Å; V200-V204 HydrophobicContact CG1-CG2 4.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.4Å; V200-V204 PolarHBondContact O-N 3.38Å
201	A	88.8	Confident	85.6	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-34.1	175.4	0	0	0	0	0	112.6	A197 I199 V204 H205 L222 V225	A197-A201 WeakPolarHBondContact O-CB 3.38Å; A197-A201 PolarHBondContact O-N 3.47Å; I199-A201 PolarHBondContact O-N 2.99Å; A201-V204 PolarHBondContact O-N 3.02Å; A201-H205 PolarHBondContact O-CD2 3.07Å; A201-H205 PolarHBondContact O-N 3.3Å; A201-L222 HydrophobicContact CB-CD1 4.11Å; A201-V225 HydrophobicContact CB-CG1 4.22Å
202	M	86.1	Confident	83.9	Confident	42 Å²	42	62.7 Å²	62.7	21%	0.207	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-44.2	173.6	-155.8	-180	68.5	0	0	112.1	S198 I199 V200 S206 I297 R299 I300	S198-M202 WeakPolarHBondContact O-CB 3.47Å; S198-M202 PolarHBondContact O-N 3.12Å; S198-M202 VanDerWaalsContact O-N 3.07Å; I199-M202 WeakPolarHBondContact O-CB 3.45Å; I199-M202 PolarHBondContact O-N 2.91Å; I199-M202 VanDerWaalsContact O-N 3.12Å; V200-M202 PolarHBondContact O-N 2.87Å; M202-S206 PolarHBondContact O-N 2.71Å; M202-I297 HydrophobicContact CE-CG1 4.18Å; M202-I297 HydrophobicContact SD-CB 4.34Å; M202-R299 VanDerWaalsContact CB-NH2 3.31Å; M202-I300 HydrophobicContact CE-CD1 3.97Å
203	C	87.3	Confident	82.1	Confident	71 Å²	71	69.6 Å²	69.6	48%	0.48	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-41.4	178.5	-63	0	0	0	0	111.1	I199 V200 S206 M207	I199-C203 PolarHBondContact O-N 2.88Å; I199-C203 PolarHBondContact O-SG 2.88Å; I199-C203 VanDerWaalsContact O-SG 3.38Å; V200-C203 WeakPolarHBondContact O-CB 3.4Å; V200-C203 PolarHBondContact O-N 3.45Å; V200-C203 VanDerWaalsContact O-N 3.08Å; C203-S206 WeakPolarHBondContact O-CB 3.23Å; C203-S206 PolarHBondContact O-N 2.95Å; C203-S206 VanDerWaalsContact O-N 3.16Å; C203-M207 PolarHBondContact O-N 3.13Å
204	V	86.8	Confident	80	Confident	37 Å²	37	73.6 Å²	73.6	22%	0.224	40%	0.402	C	S	.	.	H	α-helix	trans	-64.1	-46.1	177.2	177.5	0	0	0	0	111.5	V200 A201 S206 M207 F210 L222	V200-V204 HydrophobicContact CG1-CG2 4.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.4Å; V200-V204 PolarHBondContact O-N 3.38Å; A201-V204 PolarHBondContact O-N 3.02Å; V204-S206 PolarHBondContact O-N 2.81Å; V204-S206 VanDerWaalsContact O-N 3.14Å; V204-M207 WeakPolarHBondContact O-CB 3.39Å; V204-M207 PolarHBondContact O-N 2.63Å; V204-F210 HydrophobicContact CG1-CB 4.22Å; V204-F210 HydrophobicContact CG1-CD1 4.26Å; V204-F210 HydrophobicContact CG1-CD2 3.97Å; V204-F210 HydrophobicContact CG1-CE2 4.41Å; V204-F210 HydrophobicContact CG1-CG 3.88Å; V204-L222 HydrophobicContact CB-CD1 4.3Å; V204-L222 HydrophobicContact CB-CD2 4.4Å; V204-L222 HydrophobicContact CG1-CD1 4.12Å; V204-L222 HydrophobicContact CG1-CD2 3.84Å
205	H	80.2	Confident	77.9	Confident	27 Å²	27	75.6 Å²	75.6	13%	0.125	43%	0.429	C	S	.	.	H	α-helix	trans	-59.5	-24.3	173.7	-89.8	-72.6	0	0	0	113.6	A201 M207 Q211 D218 L222	A201-H205 PolarHBondContact O-CD2 3.07Å; A201-H205 PolarHBondContact O-N 3.3Å; H205-M207 VanDerWaalsContact C-N 3.32Å; H205-Q211 PolarHBondContact O-NE2 2.88Å; H205-D218 IonicContact CE1-OD1 3.61Å; H205-D218 PolarHBondContact CE1-OD1 3.35Å; H205-D218 VanDerWaalsContact CE1-OD1 3.29Å; H205-D218 IonicContact ND1-OD1 3.95Å; H205-D218 PolarHBondContact ND1-OD1 2.91Å; H205-L222 HydrophobicContact CB-CD2 4.39Å; H205-L222 WeakPolarHBondContact NE2-CG 3.45Å
206	S	80.6	Confident	75.8	Confident	98 Å²	98	84.2 Å²	84.2	69%	0.685	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.6	177.3	-170.2	0	0	0	0	113.6	M202 C203 V204	M202-S206 PolarHBondContact O-N 2.71Å; C203-S206 WeakPolarHBondContact O-CB 3.23Å; C203-S206 PolarHBondContact O-N 2.95Å; C203-S206 VanDerWaalsContact O-N 3.16Å; V204-S206 PolarHBondContact O-N 2.81Å; V204-S206 VanDerWaalsContact O-N 3.14Å
207	M	81.3	Confident	73.9	Confident	75 Å²	75	84.6 Å²	84.6	37%	0.369	48%	0.475	S	S	.	.			trans	-89.5	124	179.6	-69	174.6	64	0	0	110.4	C203 V204 H205 E209 F210 Q211	C203-M207 PolarHBondContact O-N 3.13Å; V204-M207 WeakPolarHBondContact O-CB 3.39Å; V204-M207 PolarHBondContact O-N 2.63Å; H205-M207 VanDerWaalsContact C-N 3.32Å; M207-E209 WeakPolarHBondContact CE-OE2 3.31Å; M207-E209 PolarHBondContact O-N 3.18Å; M207-E209 VanDerWaalsContact O-N 3.15Å; M207-F210 HydrophobicContact CB-CD2 3.97Å; M207-F210 HydrophobicContact CE-CD2 4.23Å; M207-F210 HydrophobicContact CE-CE2 3.88Å; M207-F210 PolarHBondContact O-N 3.47Å; M207-F210 VanDerWaalsContact O-N 3.08Å; M207-F210 HydrophobicContact SD-CD2 4.37Å; M207-F210 HydrophobicContact SD-CE2 4.27Å; M207-Q211 PolarHBondContact O-N 2.8Å
208	S	70.1	Confident	72.4	Confident	93 Å²	93	85 Å²	85	65%	0.65	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-61.4	-22.4	178	54.7	0	0	0	0	113.7	F210 Q211	S208-F210 PolarHBondContact O-N 3.27Å; S208-Q211 PolarHBondContact O-N 3.23Å
209	E	70.3	Confident	71.5	Confident	157 Å²	157	88.1 Å²	88.1	73%	0.734	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-67.4	-19.9	176.4	-62.5	171.7	158.3	0	0	113.3	M207	M207-E209 WeakPolarHBondContact CE-OE2 3.31Å; M207-E209 PolarHBondContact O-N 3.18Å; M207-E209 VanDerWaalsContact O-N 3.15Å
210	F	66.1	Low	71	Confident	102 Å²	102	91 Å²	91	45%	0.447	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-110	3.5	176.7	-65.2	-84.2	0	0	0	112.6	V204 M207 S208	V204-F210 HydrophobicContact CG1-CB 4.22Å; V204-F210 HydrophobicContact CG1-CD1 4.26Å; V204-F210 HydrophobicContact CG1-CD2 3.97Å; V204-F210 HydrophobicContact CG1-CE2 4.41Å; V204-F210 HydrophobicContact CG1-CG 3.88Å; M207-F210 HydrophobicContact CB-CD2 3.97Å; M207-F210 HydrophobicContact CE-CD2 4.23Å; M207-F210 HydrophobicContact CE-CE2 3.88Å; M207-F210 PolarHBondContact O-N 3.47Å; M207-F210 VanDerWaalsContact O-N 3.08Å; M207-F210 HydrophobicContact SD-CD2 4.37Å; M207-F210 HydrophobicContact SD-CE2 4.27Å; S208-F210 PolarHBondContact O-N 3.27Å
211	Q	64.2	Low	70.6	Confident	104 Å²	104	91.6 Å²	91.6	49%	0.486	51%	0.512	S	S	.	.	S	Bend	trans	-93.9	111.4	169.5	-66.8	172.5	1.2	0	0	106.9	H205 M207 S208	H205-Q211 PolarHBondContact O-NE2 2.88Å; M207-Q211 PolarHBondContact O-N 2.8Å; S208-Q211 PolarHBondContact O-N 3.23Å
212	N	57.6	Low	70.4	Confident	92 Å²	92	92.6 Å²	92.6	49%	0.492	52%	0.516	S	S	.	.			trans	-57.4	140.7	179.6	-73.2	-48.6	0	0	0	110.7	D214 G215 V217	N212-D214 PolarHBondContact O-N 2.98Å; N212-G215 PolarHBondContact O-N 2.92Å; N212-V217 PolarHBondContact ND2-O 3.41Å
213	E	54.1	Low	70.3	Confident	205 Å²	205	95.2 Å²	95.2	96%	0.958	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.5	-172.9	-64.7	-170.3	126.5	0	0	113.8
214	D	50.8	Low	70.4	Confident	149 Å²	149	93.5 Å²	93.5	80%	0.797	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.4	178.9	-61.3	-48.6	0	0	0	114.6	N212 E216	N212-D214 PolarHBondContact O-N 2.98Å; D214-E216 PolarHBondContact O-N 2.95Å
215	G	52.5	Low	70.5	Confident	72 Å²	72	94.6 Å²	94.6	74%	0.742	53%	0.529	S	S	*	.	S	Bend	trans	70	-8.6	169.5	0	0	0	0	0	118.7	N212	N212-G215 PolarHBondContact O-N 2.92Å
216	E	50	Low	71	Confident	181 Å²	181	93.8 Å²	93.8	85%	0.846	53%	0.526	S	S	*	.	S	Bend	trans	-97	-14.8	-172	-73.2	-171.3	147.8	0	0	116.2	D214	D214-E216 PolarHBondContact O-N 2.95Å
217	V	53.2	Low	71.5	Confident	97 Å²	97	92.6 Å²	92.6	59%	0.588	51%	0.511	S	S	*	.			trans	-134.7	105.4	-176.8	-172.8	0	0	0	0	110.7	N212	N212-V217 PolarHBondContact ND2-O 3.41Å
218	D	62.8	Low	72.1	Confident	52 Å²	52	91.9 Å²	91.9	28%	0.278	52%	0.517	S	S	.	.			trans	-59	146.7	162.8	-86.1	-62.6	0	0	0	108.9	H205 P220 R293	H205-D218 IonicContact CE1-OD1 3.61Å; H205-D218 PolarHBondContact CE1-OD1 3.35Å; H205-D218 VanDerWaalsContact CE1-OD1 3.29Å; H205-D218 IonicContact ND1-OD1 3.95Å; H205-D218 PolarHBondContact ND1-OD1 2.91Å; D218-P220 VanDerWaalsContact O-N 3.15Å; D218-R293 IonicContact OD2-NH1 3.29Å; D218-R293 PolarHBondContact OD2-NH1 2.76Å; D218-R293 VanDerWaalsContact OD2-NH1 3.1Å
219	D	74.2	Confident	73.3	Confident	67 Å²	67	87.9 Å²	87.9	36%	0.358	49%	0.488	S	S	.	.			trans	-56.4	122.4	179.1	-178	-30.6	0	0	0	109.8	V221 L222 E223	D219-V221 PolarHBondContact O-N 3.08Å; D219-V221 VanDerWaalsContact OD1-CB 3.3Å; D219-V221 WeakPolarHBondContact OD1-CB 3.4Å; D219-V221 WeakPolarHBondContact OD1-CG2 3.35Å; D219-V221 PolarHBondContact OD1-N 3.33Å; D219-L222 HydrophobicContact CB-CB 4.11Å; D219-L222 WeakPolarHBondContact O-CA 3.35Å; D219-L222 WeakPolarHBondContact O-CB 3.45Å; D219-L222 PolarHBondContact O-N 3.13Å; D219-E223 PolarHBondContact O-N 3.45Å
220	P	81.3	Confident	74.4	Confident	93 Å²	93	80.6 Å²	80.6	60%	0.604	45%	0.454	S	S	*	.	H	α-helix	trans	-61.4	-21.1	-175.2	25.1	-35.8	0	0	0	113.2	D218 G224	D218-P220 VanDerWaalsContact O-N 3.15Å; P220-G224 PolarHBondContact O-N 2.99Å; P220-G224 VanDerWaalsContact O-N 3.08Å
221	V	84.8	Confident	75.8	Confident	105 Å²	105	78.5 Å²	78.5	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-71.9	-42.4	171.8	-177	0	0	0	0	110.7	D219 G224 V225	D219-V221 PolarHBondContact O-N 3.08Å; D219-V221 VanDerWaalsContact OD1-CB 3.3Å; D219-V221 WeakPolarHBondContact OD1-CB 3.4Å; D219-V221 WeakPolarHBondContact OD1-CG2 3.35Å; D219-V221 PolarHBondContact OD1-N 3.33Å; V221-G224 PolarHBondContact O-N 3.37Å; V221-V225 VanDerWaalsContact O-CG2 3.32Å; V221-V225 WeakPolarHBondContact O-CG2 3.38Å; V221-V225 PolarHBondContact O-N 2.94Å
222	L	83.7	Confident	77.4	Confident	26 Å²	26	78.8 Å²	78.8	14%	0.136	45%	0.453	C	S	.	.	H	α-helix	trans	-73.4	-41.9	-177.6	-167.8	65.2	0	0	0	111.3	A201 V204 H205 D219 V225 E226	A201-L222 HydrophobicContact CB-CD1 4.11Å; V204-L222 HydrophobicContact CB-CD1 4.3Å; V204-L222 HydrophobicContact CB-CD2 4.4Å; V204-L222 HydrophobicContact CG1-CD1 4.12Å; V204-L222 HydrophobicContact CG1-CD2 3.84Å; H205-L222 HydrophobicContact CB-CD2 4.39Å; H205-L222 WeakPolarHBondContact NE2-CG 3.45Å; D219-L222 HydrophobicContact CB-CB 4.11Å; D219-L222 WeakPolarHBondContact O-CA 3.35Å; D219-L222 WeakPolarHBondContact O-CB 3.45Å; D219-L222 PolarHBondContact O-N 3.13Å; L222-V225 PolarHBondContact O-N 2.93Å; L222-E226 PolarHBondContact O-N 3.47Å
223	E	83.8	Confident	79.2	Confident	96 Å²	96	74.5 Å²	74.5	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-59.6	-46.5	170.5	-167.6	-164.1	167.8	0	0	110.9	D219 V225 E226 I227	D219-E223 PolarHBondContact O-N 3.45Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 2.87Å; E223-E226 PolarHBondContact O-N 2.97Å; E223-E226 VanDerWaalsContact O-N 3.08Å; E223-I227 HydrophobicContact CG-CD1 4Å; E223-I227 WeakPolarHBondContact O-CG1 3.1Å; E223-I227 PolarHBondContact O-N 3.37Å
224	G	89.1	Confident	81.2	Confident	36 Å²	36	66.4 Å²	66.4	37%	0.371	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-37.6	176.1	0	0	0	0	0	113.5	P220 V221 A228	P220-G224 PolarHBondContact O-N 2.99Å; P220-G224 VanDerWaalsContact O-N 3.08Å; V221-G224 PolarHBondContact O-N 3.37Å; G224-A228 WeakPolarHBondContact O-CB 3.22Å; G224-A228 PolarHBondContact O-N 3.36Å
225	V	90.6	Very high	83.3	Confident	60 Å²	60	61 Å²	61	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-42.6	172.8	166.7	0	0	0	0	111.3	A201 V221 L222 E223 A228 C229	A201-V225 HydrophobicContact CB-CG1 4.22Å; V221-V225 VanDerWaalsContact O-CG2 3.32Å; V221-V225 WeakPolarHBondContact O-CG2 3.38Å; V221-V225 PolarHBondContact O-N 2.94Å; L222-V225 PolarHBondContact O-N 2.93Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 2.87Å; V225-A228 PolarHBondContact O-N 2.95Å; V225-C229 PolarHBondContact O-N 3.45Å; V225-C229 PolarHBondContact O-SG 3.28Å; V225-C229 VanDerWaalsContact O-SG 3.36Å
226	E	89.4	Confident	85.3	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-46.6	176.7	-176.5	166.1	-122.8	0	0	112	L222 E223 A228 C229 I230 R296 R299	L222-E226 PolarHBondContact O-N 3.47Å; E223-E226 PolarHBondContact O-N 2.97Å; E223-E226 VanDerWaalsContact O-N 3.08Å; E226-A228 VanDerWaalsContact C-N 3.29Å; E226-A228 PolarHBondContact O-N 3.48Å; E226-C229 PolarHBondContact O-N 2.91Å; E226-C229 VanDerWaalsContact O-N 3.15Å; E226-I230 HydrophobicContact CG-CG1 4.22Å; E226-I230 WeakPolarHBondContact O-CG1 3.21Å; E226-I230 PolarHBondContact O-N 3Å; E226-R296 IonicContact OE1-CZ 2.76Å; E226-R296 IonicContact OE1-NE 2.71Å; E226-R296 IonicContact OE1-NH1 3.37Å; E226-R296 PolarHBondContact OE1-NH1 2.87Å; E226-R296 IonicContact OE2-CZ 3.06Å; E226-R296 IonicContact OE2-NH1 2.72Å; E226-R296 PolarHBondContact OE2-NH1 3.15Å; E226-R296 IonicContact OE2-NH2 3.62Å; E226-R299 IonicContact OE1-CZ 3.41Å; E226-R299 IonicContact OE1-NH1 2.69Å; E226-R299 PolarHBondContact OE1-NH1 2.86Å; E226-R299 IonicContact OE1-NH2 3.48Å
227	I	91.5	Very high	87.4	Confident	73 Å²	73	50.1 Å²	50.1	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-57.6	-43.7	175.8	-67.3	168	0	0	0	110.2	E223 I230 A231 F266	E223-I227 HydrophobicContact CG-CD1 4Å; E223-I227 WeakPolarHBondContact O-CG1 3.1Å; E223-I227 PolarHBondContact O-N 3.37Å; I227-I230 PolarHBondContact O-N 3.33Å; I227-A231 WeakPolarHBondContact O-CB 3.29Å; I227-A231 PolarHBondContact O-N 2.94Å; I227-F266 HydrophobicContact CG1-CE2 4.01Å; I227-F266 HydrophobicContact CG1-CZ 4.09Å
228	A	94.6	Very high	89.4	Confident	60 Å²	60	48 Å²	48	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-42.7	176.2	0	0	0	0	0	112.7	G224 V225 E226 W232	G224-A228 WeakPolarHBondContact O-CB 3.22Å; G224-A228 PolarHBondContact O-N 3.36Å; V225-A228 PolarHBondContact O-N 2.95Å; E226-A228 VanDerWaalsContact C-N 3.29Å; E226-A228 PolarHBondContact O-N 3.48Å; A228-W232 WeakPolarHBondContact O-CB 3.25Å; A228-W232 PolarHBondContact O-N 3.49Å
229	C	94.5	Very high	90.8	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.054	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.3	-74.9	0	0	0	0	112.4	V194 V225 E226 W232 F233	V194-C229 HydrophobicContact CG1-CB 4.16Å; V225-C229 PolarHBondContact O-N 3.45Å; V225-C229 PolarHBondContact O-SG 3.28Å; V225-C229 VanDerWaalsContact O-SG 3.36Å; E226-C229 PolarHBondContact O-N 2.91Å; E226-C229 VanDerWaalsContact O-N 3.15Å; C229-W232 PolarHBondContact O-N 3.34Å; C229-F233 VanDerWaalsContact O-CG 3.31Å; C229-F233 WeakPolarHBondContact O-CG 3.36Å; C229-F233 PolarHBondContact O-N 2.93Å
230	I	94.2	Very high	91.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-38.7	178.7	-63.4	-64.5	0	0	0	111.1	E226 I227 W232 F233 T234 I263 F266 Y267	E226-I230 HydrophobicContact CG-CG1 4.22Å; E226-I230 WeakPolarHBondContact O-CG1 3.21Å; E226-I230 PolarHBondContact O-N 3Å; I227-I230 PolarHBondContact O-N 3.33Å; I230-W232 VanDerWaalsContact C-N 3.32Å; I230-W232 PolarHBondContact O-N 3.2Å; I230-F233 HydrophobicContact CD1-CD2 4.29Å; I230-F233 PolarHBondContact O-N 3.27Å; I230-T234 VanDerWaalsContact O-CB 3.3Å; I230-T234 WeakPolarHBondContact O-CB 3.12Å; I230-T234 PolarHBondContact O-N 2.93Å; I230-T234 PolarHBondContact O-OG1 3.42Å; I230-I263 HydrophobicContact CG2-CG2 4.48Å; I230-F266 HydrophobicContact CB-CD1 4.47Å; I230-F266 HydrophobicContact CB-CG 4.29Å; I230-F266 HydrophobicContact CD1-CB 4.15Å; I230-F266 HydrophobicContact CG1-CB 4.01Å; I230-F266 HydrophobicContact CG1-CD2 4.12Å; I230-F266 HydrophobicContact CG1-CG 4.03Å; I230-F266 HydrophobicContact CG2-CB 3.99Å; I230-F266 HydrophobicContact CG2-CD1 3.67Å; I230-F266 HydrophobicContact CG2-CE1 4.3Å; I230-F266 HydrophobicContact CG2-CG 3.81Å; I230-Y267 HydrophobicContact CG2-CE2 4.09Å
231	A	95.7	Very high	92.2	Very high	59 Å²	59	43.5 Å²	43.5	49%	0.488	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-43	172.9	0	0	0	0	0	111.3	I227 T234 G235	I227-A231 WeakPolarHBondContact O-CB 3.29Å; I227-A231 PolarHBondContact O-N 2.94Å; A231-T234 PolarHBondContact O-N 2.84Å; A231-G235 PolarHBondContact O-N 2.94Å
232	W	96.4	Very high	92.4	Very high	110 Å²	110	41.4 Å²	41.4	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-49.2	173.6	-176.5	-80.6	0	0	0	112	S190 V194 A228 C229 I230 T234 G235 E236	S190-W232 WeakPolarHBondContact OG-CZ2 3.29Å; V194-W232 HydrophobicContact CB-CG 4.37Å; V194-W232 HydrophobicContact CG1-CB 4.05Å; V194-W232 HydrophobicContact CG1-CG 3.99Å; V194-W232 HydrophobicContact CG2-CD2 4.11Å; V194-W232 HydrophobicContact CG2-CG 4.08Å; A228-W232 WeakPolarHBondContact O-CB 3.25Å; A228-W232 PolarHBondContact O-N 3.49Å; C229-W232 PolarHBondContact O-N 3.34Å; I230-W232 VanDerWaalsContact C-N 3.32Å; I230-W232 PolarHBondContact O-N 3.2Å; W232-T234 VanDerWaalsContact C-N 3.32Å; W232-T234 PolarHBondContact O-N 3.25Å; W232-G235 PolarHBondContact O-N 3.26Å; W232-E236 PolarHBondContact NE1-OE2 3.25Å; W232-E236 WeakPolarHBondContact O-CB 3.06Å; W232-E236 PolarHBondContact O-N 3.19Å
233	F	95.5	Very high	92.6	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-39.5	178.7	-66.4	-13	0	0	0	112.7	V194 V195 C229 I230 E236 L237 I263 R299 K302	V194-F233 HydrophobicContact CB-CE1 4.38Å; V194-F233 HydrophobicContact CG1-CD1 4.28Å; V194-F233 HydrophobicContact CG1-CE1 3.72Å; V194-F233 HydrophobicContact CG1-CZ 4.35Å; V195-F233 HydrophobicContact CB-CZ 4.48Å; V195-F233 HydrophobicContact CG2-CE1 3.69Å; V195-F233 HydrophobicContact CG2-CZ 3.87Å; C229-F233 VanDerWaalsContact O-CG 3.31Å; C229-F233 WeakPolarHBondContact O-CG 3.36Å; C229-F233 PolarHBondContact O-N 2.93Å; I230-F233 HydrophobicContact CD1-CD2 4.29Å; I230-F233 PolarHBondContact O-N 3.27Å; F233-E236 PolarHBondContact O-N 3.1Å; F233-L237 WeakPolarHBondContact O-CB 3.49Å; F233-L237 PolarHBondContact O-N 3.12Å; F233-I263 HydrophobicContact CB-CG2 3.51Å; F233-I263 HydrophobicContact CD2-CG2 4.35Å; F233-I263 HydrophobicContact CG-CG2 4.47Å; F233-R299 HydrophobicContact CE2-CB 4.25Å; F233-K302 HydrophobicContact CD1-CD 4.29Å; F233-K302 HydrophobicContact CE1-CD 4.3Å
234	T	96.3	Very high	92.8	Very high	35 Å²	35	35.9 Å²	35.9	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-43.6	176.8	-55.7	0	0	0	0	110.9	I230 A231 W232 L237 A238 I263 Y267	I230-T234 VanDerWaalsContact O-CB 3.3Å; I230-T234 WeakPolarHBondContact O-CB 3.12Å; I230-T234 PolarHBondContact O-N 2.93Å; I230-T234 PolarHBondContact O-OG1 3.42Å; A231-T234 PolarHBondContact O-N 2.84Å; W232-T234 VanDerWaalsContact C-N 3.32Å; W232-T234 PolarHBondContact O-N 3.25Å; T234-L237 PolarHBondContact O-N 2.9Å; T234-A238 WeakPolarHBondContact O-CB 3.45Å; T234-A238 PolarHBondContact O-N 3.19Å; T234-I263 HydrophobicContact CG2-CD1 4.43Å; T234-Y267 HydrophobicContact CG2-CE2 4.39Å; T234-Y267 WeakPolarHBondContact CG2-OH 3.41Å; T234-Y267 WeakPolarHBondContact OG1-CE2 3.37Å; T234-Y267 PolarHBondContact OG1-OH 2.69Å; T234-Y267 VanDerWaalsContact OG1-OH 3.07Å
235	G	95.5	Very high	92.4	Very high	36 Å²	36	34.5 Å²	34.5	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-43.8	173.4	0	0	0	0	0	112.4	A231 W232 A238 V239	A231-G235 PolarHBondContact O-N 2.94Å; W232-G235 PolarHBondContact O-N 3.26Å; G235-A238 PolarHBondContact O-N 2.96Å; G235-V239 WeakPolarHBondContact O-CB 3.48Å; G235-V239 VanDerWaalsContact O-CG2 3.27Å; G235-V239 WeakPolarHBondContact O-CG2 3.33Å; G235-V239 PolarHBondContact O-N 2.98Å
236	E	94.7	Very high	92	Very high	11 Å²	11	33.9 Å²	33.9	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-47.4	177.4	-155.8	-168.7	117	0	0	111.4	M175 S191 W232 F233 R240 K302	M175-E236 HydrophobicContact CE-CG 3.73Å; S191-E236 WeakPolarHBondContact CB-OE2 3.3Å; S191-E236 VanDerWaalsContact OG-CD 3.24Å; S191-E236 PolarHBondContact OG-OE1 3.41Å; S191-E236 PolarHBondContact OG-OE2 3.01Å; W232-E236 PolarHBondContact NE1-OE2 3.25Å; W232-E236 WeakPolarHBondContact O-CB 3.06Å; W232-E236 PolarHBondContact O-N 3.19Å; F233-E236 PolarHBondContact O-N 3.1Å; E236-R240 WeakPolarHBondContact O-CG 3.49Å; E236-R240 PolarHBondContact O-N 3.05Å; E236-R240 IonicContact OE1-CZ 3.9Å; E236-R240 IonicContact OE1-NH1 2.88Å; E236-R240 PolarHBondContact OE1-NH1 2.95Å; E236-R240 IonicContact OE1-NH2 3.93Å; E236-R240 PolarHBondContact OE1-NH2 3.05Å; E236-K302 WeakPolarHBondContact OE1-CE 3.19Å; E236-K302 IonicContact OE1-NZ 2.97Å; E236-K302 PolarHBondContact OE1-NZ 3.08Å; E236-K302 IonicContact OE2-NZ 3.64Å; E236-K302 PolarHBondContact OE2-NZ 3.13Å
237	L	94.1	Very high	91.7	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-43.1	175.7	179	65.2	0	0	0	112	F233 T234 R240 L241 F250 D259 F260 I263	F233-L237 WeakPolarHBondContact O-CB 3.49Å; F233-L237 PolarHBondContact O-N 3.12Å; T234-L237 PolarHBondContact O-N 2.9Å; L237-R240 PolarHBondContact O-N 3.29Å; L237-L241 VanDerWaalsContact O-CB 3.31Å; L237-L241 WeakPolarHBondContact O-CB 3.35Å; L237-L241 PolarHBondContact O-N 3.42Å; L237-F250 HydrophobicContact CD1-CE1 3.95Å; L237-F250 HydrophobicContact CD1-CZ 3.9Å; L237-D259 HydrophobicContact CD1-CB 3.99Å; L237-F260 HydrophobicContact CD2-CB 4.15Å; L237-F260 HydrophobicContact CD2-CD2 4.05Å; L237-I263 HydrophobicContact CD2-CD1 3.65Å; L237-I263 HydrophobicContact CD2-CG1 4.37Å
238	A	94.5	Very high	91.4	Very high	52 Å²	52	45.3 Å²	45.3	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-42.1	179.1	0	0	0	0	0	111.8	T234 G235 L241 A242	T234-A238 WeakPolarHBondContact O-CB 3.45Å; T234-A238 PolarHBondContact O-N 3.19Å; G235-A238 PolarHBondContact O-N 2.96Å; A238-L241 PolarHBondContact O-N 3.44Å; A238-A242 VanDerWaalsContact O-CB 3.23Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 3.36Å
239	V	93.3	Very high	90.9	Very high	66 Å²	66	46.1 Å²	46.1	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-45	174.2	169.9	0	0	0	0	110.6	I171 M175 G235 A242 A243	I171-V239 HydrophobicContact CG2-CG1 3.68Å; M175-V239 HydrophobicContact CE-CB 4.35Å; M175-V239 HydrophobicContact CE-CG1 4.05Å; M175-V239 HydrophobicContact CG-CG1 4.14Å; M175-V239 HydrophobicContact SD-CG1 4.19Å; G235-V239 WeakPolarHBondContact O-CB 3.48Å; G235-V239 VanDerWaalsContact O-CG2 3.27Å; G235-V239 WeakPolarHBondContact O-CG2 3.33Å; G235-V239 PolarHBondContact O-N 2.98Å; V239-A242 PolarHBondContact O-N 3.02Å; V239-A243 WeakPolarHBondContact O-CB 3.4Å; V239-A243 PolarHBondContact O-N 2.93Å
240	R	91.3	Very high	90.6	Very high	5 Å²	5	46 Å²	46	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-46.8	174.7	-73.2	-163.4	-171.5	91.8	20.1	112.2	W172 M175 E176 E236 L237 A242 A243 A244 F250 D259	W172-R240 WeakPolarHBondContact CZ3-O 3.46Å; M175-R240 HydrophobicContact CB-CG 4.25Å; M175-R240 HydrophobicContact CE-CG 3.83Å; E176-R240 IonicContact OE2-NE 3.9Å; E236-R240 WeakPolarHBondContact O-CG 3.49Å; E236-R240 PolarHBondContact O-N 3.05Å; E236-R240 IonicContact OE1-CZ 3.9Å; E236-R240 IonicContact OE1-NH1 2.88Å; E236-R240 PolarHBondContact OE1-NH1 2.95Å; E236-R240 IonicContact OE1-NH2 3.93Å; E236-R240 PolarHBondContact OE1-NH2 3.05Å; L237-R240 PolarHBondContact O-N 3.29Å; R240-A242 VanDerWaalsContact C-N 3.34Å; R240-A242 PolarHBondContact O-N 3.13Å; R240-A243 CarbonylContact O-C 3.53Å; R240-A243 PolarHBondContact O-N 3.45Å; R240-A244 WeakPolarHBondContact O-CB 3.5Å; R240-A244 PolarHBondContact O-N 3.08Å; R240-F250 HydrophobicContact CB-CE2 3.83Å; R240-F250 HydrophobicContact CB-CZ 3.99Å; R240-D259 IonicContact CZ-OD2 2.82Å; R240-D259 IonicContact NH1-OD1 3.07Å; R240-D259 IonicContact NH1-OD2 3.96Å; R240-D259 PolarHBondContact NH1-OD2 2.88Å
241	L	92.1	Very high	90.3	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-38.4	179.7	-179.2	63.4	0	0	0	112.2	L237 A238 Q247 F250 W251	L237-L241 VanDerWaalsContact O-CB 3.31Å; L237-L241 WeakPolarHBondContact O-CB 3.35Å; L237-L241 PolarHBondContact O-N 3.42Å; A238-L241 PolarHBondContact O-N 3.44Å; L241-Q247 HydrophobicContact CD1-CG 4.24Å; L241-F250 HydrophobicContact CB-CE1 4.2Å; L241-F250 HydrophobicContact CB-CZ 4.31Å; L241-F250 HydrophobicContact CD1-CD1 3.65Å; L241-F250 HydrophobicContact CD1-CE1 3.96Å; L241-F250 HydrophobicContact CD1-CG 4.16Å; L241-W251 HydrophobicContact CD2-CZ2 4.41Å
242	A	90.3	Very high	89.9	Confident	62 Å²	62	56.2 Å²	56.2	51%	0.512	29%	0.29	S	S	.	.	H	α-helix	trans	-70.9	-35.4	174.5	0	0	0	0	0	112.4	R168 A238 V239 R240	R168-A242 VanDerWaalsContact CZ-O 3.24Å; R168-A242 PolarHBondContact NE-O 3.3Å; R168-A242 PolarHBondContact NH2-O 3.25Å; A238-A242 VanDerWaalsContact O-CB 3.23Å; A238-A242 WeakPolarHBondContact O-CB 3.49Å; A238-A242 PolarHBondContact O-N 3.36Å; V239-A242 PolarHBondContact O-N 3.02Å; R240-A242 VanDerWaalsContact C-N 3.34Å; R240-A242 PolarHBondContact O-N 3.13Å
243	A	88.4	Confident	89.3	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-78.1	-20.7	175.7	0	0	0	0	0	113.4	F159 I171 W172 V239 R240	F159-A243 WeakPolarHBondContact CE1-O 3.35Å; F159-A243 WeakPolarHBondContact CZ-O 3.42Å; I171-A243 HydrophobicContact CB-CB 4.25Å; I171-A243 HydrophobicContact CG2-CB 3.83Å; W172-A243 HydrophobicContact CB-CB 4.16Å; W172-A243 HydrophobicContact CE3-CB 4.06Å; V239-A243 WeakPolarHBondContact O-CB 3.4Å; V239-A243 PolarHBondContact O-N 2.93Å; R240-A243 CarbonylContact O-C 3.53Å; R240-A243 PolarHBondContact O-N 3.45Å
244	A	86.6	Confident	88.9	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	31%	0.309	C	S	.	.			trans	-61.8	137.2	-172.6	0	0	0	0	0	114.2	R168 W172 R240 C246 F250	R168-A244 PolarHBondContact NH2-O 2.88Å; W172-A244 HydrophobicContact CE3-CB 4.26Å; W172-A244 HydrophobicContact CH2-CB 4.07Å; W172-A244 HydrophobicContact CZ3-CB 3.65Å; R240-A244 WeakPolarHBondContact O-CB 3.5Å; R240-A244 PolarHBondContact O-N 3.08Å; A244-C246 VanDerWaalsContact C-N 3.33Å; A244-C246 PolarHBondContact O-N 2.99Å; A244-F250 HydrophobicContact CB-CB 4.19Å; A244-F250 HydrophobicContact CB-CD2 3.61Å; A244-F250 HydrophobicContact CB-CE2 4.36Å; A244-F250 HydrophobicContact CB-CG 4.14Å
245	P	81.5	Confident	88.6	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.052	31%	0.308	C	S	.	.	S	Bend	trans	-71.2	-27	-179	27.2	-32.9	0	0	0	112.8	E155 K158 F159 Q162	E155-P245 HydrophobicContact CB-CB 4.49Å; E155-P245 HydrophobicContact CB-CG 3.87Å; E155-P245 HydrophobicContact CG-CB 4.44Å; E155-P245 HydrophobicContact CG-CG 3.65Å; E155-P245 WeakPolarHBondContact OE2-CG 3.15Å; K158-P245 HydrophobicContact CB-CB 4.45Å; F159-P245 HydrophobicContact CD2-CB 4.32Å; F159-P245 HydrophobicContact CE1-CB 4.32Å; F159-P245 HydrophobicContact CE2-CB 3.79Å; F159-P245 HydrophobicContact CE2-CG 4.06Å; F159-P245 HydrophobicContact CZ-CB 3.8Å; F159-P245 HydrophobicContact CZ-CG 4.1Å; Q162-P245 PolarHBondContact NE2-O 3.49Å
246	C	81.4	Confident	88.4	Confident	46 Å²	46	55.9 Å²	55.9	31%	0.311	29%	0.291	S	S	.	.			trans	-147.7	101.9	-176.1	-79.8	0	0	0	0	111.6	A244 K248 K249 F250	A244-C246 VanDerWaalsContact C-N 3.33Å; A244-C246 PolarHBondContact O-N 2.99Å; C246-K248 VanDerWaalsContact C-N 3.31Å; C246-K248 PolarHBondContact O-N 2.93Å; C246-K249 HydrophobicContact CB-CB 4.03Å; C246-K249 PolarHBondContact O-N 2.94Å; C246-F250 PolarHBondContact O-N 3.21Å
247	Q	84	Confident	88.3	Confident	131 Å²	131	58.9 Å²	58.9	61%	0.612	31%	0.307	S	S	*	.	H	α-helix	trans	-54.9	-39.6	-178.7	-67.4	179.6	-12.4	0	0	113.7	L241 K249 F250 W251	L241-Q247 HydrophobicContact CD1-CG 4.24Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.12Å; Q247-F250 WeakPolarHBondContact O-CB 3.32Å; Q247-F250 PolarHBondContact O-N 3.45Å; Q247-W251 PolarHBondContact O-N 3.26Å
248	K	85.4	Confident	88.2	Confident	192 Å²	192	60.2 Å²	60.2	84%	0.835	31%	0.313	S	S	*	.	H	α-helix	trans	-66.6	-25.6	177.2	-69	-173.5	179.3	-178.3	0	113.9	C246	C246-K248 VanDerWaalsContact C-N 3.31Å; C246-K248 PolarHBondContact O-N 2.93Å
249	K	83.1	Confident	88.1	Confident	77 Å²	77	57.9 Å²	57.9	34%	0.335	29%	0.294	S	S	.	.	H	α-helix	trans	-86.3	-35.5	174.5	-165.8	-175.1	170.9	-157.1	0	110.7	E155 C246 Q247 W251 K252 N253	E155-K249 VanDerWaalsContact OE1-CD 3.24Å; E155-K249 WeakPolarHBondContact OE1-CD 3.48Å; E155-K249 WeakPolarHBondContact OE1-CE 3.39Å; E155-K249 IonicContact OE1-NZ 3.15Å; E155-K249 PolarHBondContact OE1-NZ 3.09Å; C246-K249 HydrophobicContact CB-CB 4.03Å; C246-K249 PolarHBondContact O-N 2.94Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.12Å; K249-W251 VanDerWaalsContact C-N 3.31Å; K249-W251 PolarHBondContact O-N 3.21Å; K249-K252 WeakPolarHBondContact O-CB 3.46Å; K249-K252 PolarHBondContact O-N 3.41Å; K249-N253 PolarHBondContact O-N 3.05Å
250	F	87.7	Confident	88.1	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-49.5	-50.7	174.2	-175.1	-93.8	0	0	0	112	W172 L237 R240 L241 A244 C246 Q247 K252 N253 N256	W172-F250 HydrophobicContact CH2-CD2 4.04Å; W172-F250 HydrophobicContact CH2-CE2 4.29Å; W172-F250 HydrophobicContact CZ3-CD2 4.15Å; W172-F250 HydrophobicContact CZ3-CE2 4.14Å; L237-F250 HydrophobicContact CD1-CE1 3.95Å; L237-F250 HydrophobicContact CD1-CZ 3.9Å; R240-F250 HydrophobicContact CB-CE2 3.83Å; R240-F250 HydrophobicContact CB-CZ 3.99Å; L241-F250 HydrophobicContact CB-CE1 4.2Å; L241-F250 HydrophobicContact CB-CZ 4.31Å; L241-F250 HydrophobicContact CD1-CD1 3.65Å; L241-F250 HydrophobicContact CD1-CE1 3.96Å; L241-F250 HydrophobicContact CD1-CG 4.16Å; A244-F250 HydrophobicContact CB-CB 4.19Å; A244-F250 HydrophobicContact CB-CD2 3.61Å; A244-F250 HydrophobicContact CB-CE2 4.36Å; A244-F250 HydrophobicContact CB-CG 4.14Å; C246-F250 PolarHBondContact O-N 3.21Å; Q247-F250 WeakPolarHBondContact O-CB 3.32Å; Q247-F250 PolarHBondContact O-N 3.45Å; F250-K252 PolarHBondContact O-N 2.98Å; F250-N253 PolarHBondContact O-N 3.5Å; F250-N256 HydrophobicContact CD1-CB 4.21Å; F250-N256 WeakPolarHBondContact CD2-ND2 3.47Å; F250-N256 HydrophobicContact CE1-CB 3.84Å; F250-N256 HydrophobicContact CE2-CB 4.14Å; F250-N256 VanDerWaalsContact CE2-CG 3.4Å; F250-N256 VanDerWaalsContact CE2-ND2 3.26Å; F250-N256 WeakPolarHBondContact CE2-ND2 3.31Å; F250-N256 HydrophobicContact CZ-CB 3.8Å; F250-N256 WeakPolarHBondContact O-CB 3.13Å; F250-N256 PolarHBondContact O-ND2 2.76Å
251	W	89.2	Confident	88.2	Confident	103 Å²	103	60.3 Å²	60.3	39%	0.39	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.6	178.3	-69.3	113.6	0	0	0	115.6	L241 Q247 K249 F260	L241-W251 HydrophobicContact CD2-CZ2 4.41Å; Q247-W251 PolarHBondContact O-N 3.26Å; K249-W251 VanDerWaalsContact C-N 3.31Å; K249-W251 PolarHBondContact O-N 3.21Å; W251-F260 HydrophobicContact CH2-CB 4.17Å; W251-F260 HydrophobicContact CH2-CD1 4.21Å; W251-F260 AromaticContact CH2-CD2 3.73Å; W251-F260 HydrophobicContact CH2-CD2 3.73Å; W251-F260 HydrophobicContact CH2-CE2 4.12Å; W251-F260 AromaticContact CH2-CG 3.79Å; W251-F260 HydrophobicContact CH2-CG 3.79Å; W251-F260 HydrophobicContact CZ3-CB 3.68Å; W251-F260 AromaticContact CZ3-CD1 3.67Å; W251-F260 HydrophobicContact CZ3-CD1 3.67Å; W251-F260 AromaticContact CZ3-CD2 3.97Å; W251-F260 HydrophobicContact CZ3-CD2 3.97Å; W251-F260 HydrophobicContact CZ3-CE1 4.25Å; W251-F260 AromaticContact CZ3-CG 3.5Å; W251-F260 HydrophobicContact CZ3-CG 3.5Å
252	K	86	Confident	88.2	Confident	173 Å²	173	58.2 Å²	58.2	75%	0.752	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-13.6	173.6	-70.1	-175.3	175.1	-167.3	0	113.3	K249 F250	K249-K252 WeakPolarHBondContact O-CB 3.46Å; K249-K252 PolarHBondContact O-N 3.41Å; F250-K252 PolarHBondContact O-N 2.98Å
253	N	85.1	Confident	88.4	Confident	53 Å²	53	55.8 Å²	55.8	28%	0.283	27%	0.27	S	S	.	.	S	Bend	trans	-78.5	124.4	177.8	177	-22.9	0	0	0	109.4	K249 F250 L255 N256 I257	K249-N253 PolarHBondContact O-N 3.05Å; F250-N253 PolarHBondContact O-N 3.5Å; N253-L255 VanDerWaalsContact C-N 3.28Å; N253-L255 PolarHBondContact O-N 2.75Å; N253-L255 WeakPolarHBondContact OD1-CB 3.48Å; N253-L255 PolarHBondContact OD1-N 2.74Å; N253-N256 HydrophobicContact CB-CB 4.42Å; N253-N256 PolarHBondContact O-N 3.27Å; N253-N256 VanDerWaalsContact O-N 3.13Å; N253-I257 PolarHBondContact O-N 2.71Å; N253-I257 VanDerWaalsContact O-N 3.15Å
254	P	87.2	Confident	88.6	Confident	82 Å²	82	58.4 Å²	58.4	53%	0.532	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-32.6	-177.2	24.5	-34.8	0	0	0	113.8	N256 I257 I258	P254-N256 VanDerWaalsContact C-N 3.33Å; P254-N256 PolarHBondContact O-N 2.67Å; P254-I257 PolarHBondContact O-N 2.91Å; P254-I258 WeakPolarHBondContact O-CG1 3.2Å; P254-I258 PolarHBondContact O-N 3.21Å
255	L	88.7	Confident	88.8	Confident	38 Å²	38	58.5 Å²	58.5	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-34.8	178.2	-60.9	178.8	0	0	0	112	N253 I258 D259 A304	N253-L255 VanDerWaalsContact C-N 3.28Å; N253-L255 PolarHBondContact O-N 2.75Å; N253-L255 WeakPolarHBondContact OD1-CB 3.48Å; N253-L255 PolarHBondContact OD1-N 2.74Å; L255-I258 PolarHBondContact O-N 3.24Å; L255-D259 PolarHBondContact O-N 2.65Å; L255-A304 HydrophobicContact CD2-CB 4.39Å
256	N	91.6	Very high	89.2	Confident	2 Å²	2	60 Å²	60	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-76.4	-31.2	176.7	-61.8	-25.6	0	0	0	111.9	F250 N253 P254 D259 F260 R305	F250-N256 HydrophobicContact CD1-CB 4.21Å; F250-N256 WeakPolarHBondContact CD2-ND2 3.47Å; F250-N256 HydrophobicContact CE1-CB 3.84Å; F250-N256 HydrophobicContact CE2-CB 4.14Å; F250-N256 VanDerWaalsContact CE2-CG 3.4Å; F250-N256 VanDerWaalsContact CE2-ND2 3.26Å; F250-N256 WeakPolarHBondContact CE2-ND2 3.31Å; F250-N256 HydrophobicContact CZ-CB 3.8Å; F250-N256 WeakPolarHBondContact O-CB 3.13Å; F250-N256 PolarHBondContact O-ND2 2.76Å; N253-N256 HydrophobicContact CB-CB 4.42Å; N253-N256 PolarHBondContact O-N 3.27Å; N253-N256 VanDerWaalsContact O-N 3.13Å; P254-N256 VanDerWaalsContact C-N 3.33Å; P254-N256 PolarHBondContact O-N 2.67Å; N256-D259 PolarHBondContact O-N 3.16Å; N256-F260 PolarHBondContact O-N 3.48Å; N256-R305 PolarHBondContact OD1-NH2 2.81Å
257	I	92.1	Very high	89.7	Confident	75 Å²	75	62.5 Å²	62.5	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-43.6	170.5	-63.1	170.6	0	0	0	109.7	N253 P254 F260 V261	N253-I257 PolarHBondContact O-N 2.71Å; N253-I257 VanDerWaalsContact O-N 3.15Å; P254-I257 PolarHBondContact O-N 2.91Å; I257-F260 PolarHBondContact O-N 3.24Å; I257-V261 HydrophobicContact CG2-CG2 4.19Å; I257-V261 WeakPolarHBondContact O-CB 3.43Å; I257-V261 VanDerWaalsContact O-CG2 3.32Å; I257-V261 WeakPolarHBondContact O-CG2 3.41Å; I257-V261 PolarHBondContact O-N 3.12Å
258	I	92.6	Very high	90	Very high	40 Å²	40	57.6 Å²	57.6	21%	0.205	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-47.5	174.5	-71.4	165.4	0	0	0	111.2	P254 L255 F260 V261 S262 L301 K302	P254-I258 WeakPolarHBondContact O-CG1 3.2Å; P254-I258 PolarHBondContact O-N 3.21Å; L255-I258 PolarHBondContact O-N 3.24Å; I258-F260 VanDerWaalsContact C-N 3.28Å; I258-F260 PolarHBondContact O-N 3.34Å; I258-V261 PolarHBondContact O-N 2.85Å; I258-S262 WeakPolarHBondContact O-CB 3.49Å; I258-S262 PolarHBondContact O-N 3.42Å; I258-L301 HydrophobicContact CG1-CB 4.44Å; I258-L301 VanDerWaalsContact CG2-C 3.49Å; I258-L301 HydrophobicContact CG2-CB 3.78Å; I258-K302 HydrophobicContact CG2-CB 4.4Å
259	D	92.9	Very high	90.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-42.2	176.3	-77.6	-28.8	0	0	0	111.5	L237 R240 L255 N256 S262 K302 R305	L237-D259 HydrophobicContact CD1-CB 3.99Å; R240-D259 IonicContact CZ-OD2 2.82Å; R240-D259 IonicContact NH1-OD1 3.07Å; R240-D259 IonicContact NH1-OD2 3.96Å; R240-D259 PolarHBondContact NH1-OD2 2.88Å; L255-D259 PolarHBondContact O-N 2.65Å; N256-D259 PolarHBondContact O-N 3.16Å; D259-S262 PolarHBondContact O-OG 2.79Å; D259-K302 WeakPolarHBondContact OD1-CD 3.5Å; D259-K302 WeakPolarHBondContact OD1-CE 3.28Å; D259-K302 IonicContact OD1-NZ 3.66Å; D259-R305 IonicContact OD1-NE 2.71Å; D259-R305 IonicContact OD2-CZ 3.21Å; D259-R305 VanDerWaalsContact OD2-CZ 3.3Å; D259-R305 IonicContact OD2-NE 2.8Å; D259-R305 PolarHBondContact OD2-NE 3.12Å; D259-R305 IonicContact OD2-NH2 3.78Å; D259-R305 PolarHBondContact OD2-NH2 3.03Å
260	F	93.8	Very high	90.3	Very high	81 Å²	81	49.4 Å²	49.4	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-68.2	-50	176.2	178.8	-120.4	0	0	0	113	L237 W251 N256 I257 I258 S262 I263 I264	L237-F260 HydrophobicContact CD2-CB 4.15Å; L237-F260 HydrophobicContact CD2-CD2 4.05Å; W251-F260 HydrophobicContact CH2-CB 4.17Å; W251-F260 HydrophobicContact CH2-CD1 4.21Å; W251-F260 AromaticContact CH2-CD2 3.73Å; W251-F260 HydrophobicContact CH2-CD2 3.73Å; W251-F260 HydrophobicContact CH2-CE2 4.12Å; W251-F260 AromaticContact CH2-CG 3.79Å; W251-F260 HydrophobicContact CH2-CG 3.79Å; W251-F260 HydrophobicContact CZ3-CB 3.68Å; W251-F260 AromaticContact CZ3-CD1 3.67Å; W251-F260 HydrophobicContact CZ3-CD1 3.67Å; W251-F260 AromaticContact CZ3-CD2 3.97Å; W251-F260 HydrophobicContact CZ3-CD2 3.97Å; W251-F260 HydrophobicContact CZ3-CE1 4.25Å; W251-F260 AromaticContact CZ3-CG 3.5Å; W251-F260 HydrophobicContact CZ3-CG 3.5Å; N256-F260 PolarHBondContact O-N 3.48Å; I257-F260 PolarHBondContact O-N 3.24Å; I258-F260 VanDerWaalsContact C-N 3.28Å; I258-F260 PolarHBondContact O-N 3.34Å; F260-S262 PolarHBondContact O-N 3.32Å; F260-S262 VanDerWaalsContact O-N 3.16Å; F260-I263 WeakPolarHBondContact O-CG1 3.46Å; F260-I263 PolarHBondContact O-N 3.17Å; F260-I264 HydrophobicContact CD1-CD1 3.72Å; F260-I264 HydrophobicContact CD1-CG1 4.22Å; F260-I264 HydrophobicContact CD2-CG1 4.45Å; F260-I264 HydrophobicContact CE1-CD1 3.48Å; F260-I264 VanDerWaalsContact CE1-CD1 3.48Å; F260-I264 HydrophobicContact CE1-CG1 3.96Å; F260-I264 HydrophobicContact CE2-CG1 4.2Å; F260-I264 HydrophobicContact CG-CD1 4.39Å; F260-I264 HydrophobicContact CG-CG1 4.46Å; F260-I264 HydrophobicContact CZ-CD1 3.97Å; F260-I264 HydrophobicContact CZ-CG1 3.95Å; F260-I264 WeakPolarHBondContact O-CG1 3.37Å; F260-I264 PolarHBondContact O-N 3.27Å
261	V	92.9	Very high	90.3	Very high	42 Å²	42	51.5 Å²	51.5	26%	0.255	26%	0.262	S	S	.	.	H	α-helix	trans	-60.3	-28.1	179.3	173.9	0	0	0	0	111.6	I257 I258 I263 I264 P265 F298	I257-V261 HydrophobicContact CG2-CG2 4.19Å; I257-V261 WeakPolarHBondContact O-CB 3.43Å; I257-V261 VanDerWaalsContact O-CG2 3.32Å; I257-V261 WeakPolarHBondContact O-CG2 3.41Å; I257-V261 PolarHBondContact O-N 3.12Å; I258-V261 PolarHBondContact O-N 2.85Å; V261-I263 VanDerWaalsContact C-N 3.26Å; V261-I263 PolarHBondContact O-N 3.49Å; V261-I264 HydrophobicContact CG2-CD1 4.13Å; V261-P265 WeakPolarHBondContact O-CD 3.47Å; V261-F298 HydrophobicContact CG1-CB 3.83Å; V261-F298 HydrophobicContact CG1-CD2 3.71Å; V261-F298 HydrophobicContact CG1-CE2 4.48Å; V261-F298 HydrophobicContact CG1-CG 3.9Å
262	S	92.3	Very high	90.1	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.021	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.4	176.1	78.9	0	0	0	0	115	I258 D259 F260	I258-S262 WeakPolarHBondContact O-CB 3.49Å; I258-S262 PolarHBondContact O-N 3.42Å; D259-S262 PolarHBondContact O-OG 2.79Å; F260-S262 PolarHBondContact O-N 3.32Å; F260-S262 VanDerWaalsContact O-N 3.16Å
263	I	93.5	Very high	89.7	Confident	11 Å²	11	42.4 Å²	42.4	6%	0.056	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-21.5	180	61.9	165.3	0	0	0	114	I230 F233 T234 L237 F260 V261 P265 F266 Y267	I230-I263 HydrophobicContact CG2-CG2 4.48Å; F233-I263 HydrophobicContact CB-CG2 3.51Å; F233-I263 HydrophobicContact CD2-CG2 4.35Å; F233-I263 HydrophobicContact CG-CG2 4.47Å; T234-I263 HydrophobicContact CG2-CD1 4.43Å; L237-I263 HydrophobicContact CD2-CD1 3.65Å; L237-I263 HydrophobicContact CD2-CG1 4.37Å; F260-I263 WeakPolarHBondContact O-CG1 3.46Å; F260-I263 PolarHBondContact O-N 3.17Å; V261-I263 VanDerWaalsContact C-N 3.26Å; V261-I263 PolarHBondContact O-N 3.49Å; I263-P265 VanDerWaalsContact C-CD 3.41Å; I263-P265 VanDerWaalsContact C-N 3.33Å; I263-F266 PolarHBondContact O-N 3.03Å; I263-Y267 HydrophobicContact CB-CD2 4.29Å; I263-Y267 HydrophobicContact CB-CE2 4.17Å; I263-Y267 HydrophobicContact CD1-CD2 4.42Å; I263-Y267 HydrophobicContact CD1-CE2 4.09Å; I263-Y267 WeakPolarHBondContact O-CD2 3.14Å
264	I	92.4	Very high	89.5	Confident	58 Å²	58	44 Å²	44	30%	0.297	24%	0.242	S	C	.	.	H	α-helix	trans	-48.8	-46.9	179.1	-67.2	170.8	0	0	0	112.6	F260 V261 F266 Y267 A268	F260-I264 HydrophobicContact CD1-CD1 3.72Å; F260-I264 HydrophobicContact CD1-CG1 4.22Å; F260-I264 HydrophobicContact CD2-CG1 4.45Å; F260-I264 HydrophobicContact CE1-CD1 3.48Å; F260-I264 VanDerWaalsContact CE1-CD1 3.48Å; F260-I264 HydrophobicContact CE1-CG1 3.96Å; F260-I264 HydrophobicContact CE2-CG1 4.2Å; F260-I264 HydrophobicContact CG-CD1 4.39Å; F260-I264 HydrophobicContact CG-CG1 4.46Å; F260-I264 HydrophobicContact CZ-CD1 3.97Å; F260-I264 HydrophobicContact CZ-CG1 3.95Å; F260-I264 WeakPolarHBondContact O-CG1 3.37Å; F260-I264 PolarHBondContact O-N 3.27Å; V261-I264 HydrophobicContact CG2-CD1 4.13Å; I264-F266 VanDerWaalsContact C-N 3.31Å; I264-F266 PolarHBondContact O-N 3.1Å; I264-Y267 PolarHBondContact O-N 3.18Å; I264-A268 HydrophobicContact CG2-CB 4.39Å; I264-A268 WeakPolarHBondContact O-CB 3.24Å; I264-A268 PolarHBondContact O-N 2.66Å
265	P	91	Very high	88.8	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-41.2	-175	-30.1	38.3	0	0	0	114	V261 I263 T269 M295 R296	V261-P265 WeakPolarHBondContact O-CD 3.47Å; I263-P265 VanDerWaalsContact C-CD 3.41Å; I263-P265 VanDerWaalsContact C-N 3.33Å; P265-T269 PolarHBondContact O-N 2.93Å; P265-T269 PolarHBondContact O-OG1 2.87Å; P265-M295 HydrophobicContact CB-CB 4.23Å; P265-M295 HydrophobicContact CG-CB 3.81Å; P265-R296 HydrophobicContact CB-CB 4.48Å; P265-R296 HydrophobicContact CB-CG 3.63Å; P265-R296 HydrophobicContact CG-CG 4.42Å
266	F	90.3	Very high	87.7	Confident	41 Å²	41	48 Å²	48	18%	0.18	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-51.4	179.5	177.8	-91.2	0	0	0	111.7	I227 I230 I263 I264 A268 T269 L270	I227-F266 HydrophobicContact CG1-CE2 4.01Å; I227-F266 HydrophobicContact CG1-CZ 4.09Å; I230-F266 HydrophobicContact CB-CD1 4.47Å; I230-F266 HydrophobicContact CB-CG 4.29Å; I230-F266 HydrophobicContact CD1-CB 4.15Å; I230-F266 HydrophobicContact CG1-CB 4.01Å; I230-F266 HydrophobicContact CG1-CD2 4.12Å; I230-F266 HydrophobicContact CG1-CG 4.03Å; I230-F266 HydrophobicContact CG2-CB 3.99Å; I230-F266 HydrophobicContact CG2-CD1 3.67Å; I230-F266 HydrophobicContact CG2-CE1 4.3Å; I230-F266 HydrophobicContact CG2-CG 3.81Å; I263-F266 PolarHBondContact O-N 3.03Å; I264-F266 VanDerWaalsContact C-N 3.31Å; I264-F266 PolarHBondContact O-N 3.1Å; F266-A268 VanDerWaalsContact C-N 3.28Å; F266-A268 PolarHBondContact O-N 3.15Å; F266-T269 PolarHBondContact O-N 3.07Å; F266-L270 PolarHBondContact O-N 3.19Å
267	Y	92.3	Very high	86.3	Confident	98 Å²	98	56.3 Å²	56.3	38%	0.384	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-29.8	179.5	-69.1	-69.2	0	0	0	112.9	I230 T234 I263 I264 A271	I230-Y267 HydrophobicContact CG2-CE2 4.09Å; T234-Y267 HydrophobicContact CG2-CE2 4.39Å; T234-Y267 WeakPolarHBondContact CG2-OH 3.41Å; T234-Y267 WeakPolarHBondContact OG1-CE2 3.37Å; T234-Y267 PolarHBondContact OG1-OH 2.69Å; T234-Y267 VanDerWaalsContact OG1-OH 3.07Å; I263-Y267 HydrophobicContact CB-CD2 4.29Å; I263-Y267 HydrophobicContact CB-CE2 4.17Å; I263-Y267 HydrophobicContact CD1-CD2 4.42Å; I263-Y267 HydrophobicContact CD1-CE2 4.09Å; I263-Y267 WeakPolarHBondContact O-CD2 3.14Å; I264-Y267 PolarHBondContact O-N 3.18Å; Y267-A271 WeakPolarHBondContact O-CB 3.29Å; Y267-A271 PolarHBondContact O-N 3.04Å
268	A	90.4	Very high	84.9	Confident	27 Å²	27	61 Å²	61	22%	0.223	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-40.4	173.7	0	0	0	0	0	111.9	I264 F266 V272 L292	I264-A268 HydrophobicContact CG2-CB 4.39Å; I264-A268 WeakPolarHBondContact O-CB 3.24Å; I264-A268 PolarHBondContact O-N 2.66Å; F266-A268 VanDerWaalsContact C-N 3.28Å; F266-A268 PolarHBondContact O-N 3.15Å; A268-V272 WeakPolarHBondContact O-CG2 3.18Å; A268-V272 PolarHBondContact O-N 3.44Å; A268-V272 VanDerWaalsContact O-N 3.14Å; A268-L292 HydrophobicContact CB-CD1 3.97Å; A268-L292 HydrophobicContact CB-CD2 3.77Å; A268-L292 HydrophobicContact CB-CG 4.48Å
269	T	87.1	Confident	83.3	Confident	10 Å²	10	61.5 Å²	61.5	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-55	172	-58.9	0	0	0	0	109.9	P265 F266 A271 V272 D273 V289	P265-T269 PolarHBondContact O-N 2.93Å; P265-T269 PolarHBondContact O-OG1 2.87Å; F266-T269 PolarHBondContact O-N 3.07Å; T269-A271 VanDerWaalsContact C-N 3.26Å; T269-A271 PolarHBondContact O-N 3.1Å; T269-A271 VanDerWaalsContact O-N 3.12Å; T269-V272 CarbonylContact O-C 3.54Å; T269-V272 WeakPolarHBondContact O-CA 3.37Å; T269-V272 WeakPolarHBondContact O-CB 3.48Å; T269-V272 PolarHBondContact O-N 3.1Å; T269-D273 WeakPolarHBondContact CG2-OD2 3.44Å; T269-D273 PolarHBondContact O-N 3.11Å; T269-D273 VanDerWaalsContact O-OD1 3.1Å; T269-V289 HydrophobicContact CG2-CG1 4.21Å
270	L	87.4	Confident	81.9	Confident	87 Å²	87	70.3 Å²	70.3	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-54.6	-39	178.8	-176.3	65.4	0	0	0	113.5	F266 V272 T274	F266-L270 PolarHBondContact O-N 3.19Å; L270-V272 VanDerWaalsContact C-N 3.3Å; L270-V272 PolarHBondContact O-N 3.32Å; L270-T274 WeakPolarHBondContact O-CB 3.45Å; L270-T274 PolarHBondContact O-N 3.23Å; L270-T274 PolarHBondContact O-OG1 3.3Å
271	A	87.5	Confident	80.3	Confident	51 Å²	51	72.2 Å²	72.2	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-76.3	-13.3	177.8	0	0	0	0	0	114.6	Y267 T269 K275	Y267-A271 WeakPolarHBondContact O-CB 3.29Å; Y267-A271 PolarHBondContact O-N 3.04Å; T269-A271 VanDerWaalsContact C-N 3.26Å; T269-A271 PolarHBondContact O-N 3.1Å; T269-A271 VanDerWaalsContact O-N 3.12Å; A271-K275 WeakPolarHBondContact O-CD 3.38Å; A271-K275 WeakPolarHBondContact O-CG 3.32Å
272	V	84.9	Confident	78.8	Confident	23 Å²	23	76.1 Å²	76.1	14%	0.139	39%	0.39	C	S	.	.	H	α-helix	trans	-86.8	-49.7	168.7	162.9	0	0	0	0	109.6	A268 T269 L270 T274 K275 E276 M285 V289 L292	A268-V272 WeakPolarHBondContact O-CG2 3.18Å; A268-V272 PolarHBondContact O-N 3.44Å; A268-V272 VanDerWaalsContact O-N 3.14Å; T269-V272 CarbonylContact O-C 3.54Å; T269-V272 WeakPolarHBondContact O-CA 3.37Å; T269-V272 WeakPolarHBondContact O-CB 3.48Å; T269-V272 PolarHBondContact O-N 3.1Å; L270-V272 VanDerWaalsContact C-N 3.3Å; L270-V272 PolarHBondContact O-N 3.32Å; V272-T274 VanDerWaalsContact C-N 3.27Å; V272-T274 PolarHBondContact O-N 3.35Å; V272-K275 WeakPolarHBondContact O-CA 3.49Å; V272-K275 WeakPolarHBondContact O-CB 3.48Å; V272-K275 PolarHBondContact O-N 2.94Å; V272-E276 PolarHBondContact O-N 2.55Å; V272-E276 VanDerWaalsContact O-N 3.16Å; V272-M285 HydrophobicContact CG1-CG 3.37Å; V272-M285 HydrophobicContact CG1-SD 3.55Å; V272-M285 VanDerWaalsContact CG1-SD 3.55Å; V272-V289 HydrophobicContact CG1-CG2 3.64Å; V272-L292 HydrophobicContact CG2-CD1 4.19Å
273	D	78.7	Confident	77.6	Confident	63 Å²	63	83.2 Å²	83.2	34%	0.337	42%	0.423	S	S	.	.	H	α-helix	trans	-57.6	-41.3	-179.7	-47.3	-22.1	0	0	0	111	T269 K275 E276	T269-D273 WeakPolarHBondContact CG2-OD2 3.44Å; T269-D273 PolarHBondContact O-N 3.11Å; T269-D273 VanDerWaalsContact O-OD1 3.1Å; D273-K275 PolarHBondContact O-N 2.79Å; D273-K275 VanDerWaalsContact O-N 3.1Å; D273-E276 PolarHBondContact O-N 3.25Å; D273-E276 VanDerWaalsContact O-N 3.17Å
274	T	79.7	Confident	76.6	Confident	86 Å²	86	88 Å²	88	53%	0.528	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-19.2	174.9	-49.3	0	0	0	0	113.4	L270 V272	L270-T274 WeakPolarHBondContact O-CB 3.45Å; L270-T274 PolarHBondContact O-N 3.23Å; L270-T274 PolarHBondContact O-OG1 3.3Å; V272-T274 VanDerWaalsContact C-N 3.27Å; V272-T274 PolarHBondContact O-N 3.35Å
275	K	73.1	Confident	75.6	Confident	126 Å²	126	87.1 Å²	87.1	55%	0.548	44%	0.443	S	S	.	.	H	α-helix	trans	-99.3	-16.4	178.7	-67.5	179.2	179	-179.2	0	113.7	A271 V272 D273 E277 E278 S279	A271-K275 WeakPolarHBondContact O-CD 3.38Å; A271-K275 WeakPolarHBondContact O-CG 3.32Å; V272-K275 WeakPolarHBondContact O-CA 3.49Å; V272-K275 WeakPolarHBondContact O-CB 3.48Å; V272-K275 PolarHBondContact O-N 2.94Å; D273-K275 PolarHBondContact O-N 2.79Å; D273-K275 VanDerWaalsContact O-N 3.1Å; K275-E277 PolarHBondContact O-N 3.05Å; K275-E278 PolarHBondContact O-N 3.08Å; K275-E278 VanDerWaalsContact O-N 3.07Å; K275-S279 PolarHBondContact O-N 2.86Å; K275-S279 PolarHBondContact O-OG 2.99Å; K275-S279 VanDerWaalsContact O-OG 3.08Å
276	E	66.3	Low	74.9	Confident	78 Å²	78	88.9 Å²	88.9	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-64.5	-30.2	171.4	-68.9	-170.6	152.5	0	0	110.7	V272 D273 E278 S279 M285	V272-E276 PolarHBondContact O-N 2.55Å; V272-E276 VanDerWaalsContact O-N 3.16Å; D273-E276 PolarHBondContact O-N 3.25Å; D273-E276 VanDerWaalsContact O-N 3.17Å; E276-E278 PolarHBondContact O-N 2.96Å; E276-E278 VanDerWaalsContact O-N 3.14Å; E276-S279 PolarHBondContact O-N 2.84Å; E276-M285 HydrophobicContact CG-CB 4.44Å; E276-M285 HydrophobicContact CG-CG 3.82Å; E276-M285 VanDerWaalsContact OE1-CB 3.25Å; E276-M285 WeakPolarHBondContact OE1-CB 3.5Å; E276-M285 WeakPolarHBondContact OE1-CG 3.41Å
277	E	61.5	Low	74.4	Confident	177 Å²	177	91.4 Å²	91.4	83%	0.827	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	170.6	-63.6	-167.5	160.9	0	0	114.1	K275	K275-E277 PolarHBondContact O-N 3.05Å
278	E	62.1	Low	74	Confident	174 Å²	174	89.9 Å²	89.9	81%	0.813	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-7.5	-177.6	-64.6	-169.4	150.1	0	0	114.7	K275 E276	K275-E278 PolarHBondContact O-N 3.08Å; K275-E278 VanDerWaalsContact O-N 3.07Å; E276-E278 PolarHBondContact O-N 2.96Å; E276-E278 VanDerWaalsContact O-N 3.14Å
279	S	60.1	Low	73.5	Confident	49 Å²	49	89.3 Å²	89.3	34%	0.343	47%	0.467	S	S	.	.			trans	-149.5	134	-171.6	57.9	0	0	0	0	116.1	K275 E276 D281	K275-S279 PolarHBondContact O-N 2.86Å; K275-S279 PolarHBondContact O-OG 2.99Å; K275-S279 VanDerWaalsContact O-OG 3.08Å; E276-S279 PolarHBondContact O-N 2.84Å; S279-D281 VanDerWaalsContact C-N 3.3Å; S279-D281 PolarHBondContact O-N 2.99Å
280	E	61.8	Low	73.2	Confident	189 Å²	189	95 Å²	95	88%	0.883	49%	0.493	S	S	*	.			trans	-79.8	6.5	-174	-61.1	-177.7	154.8	0	0	115.2	I282	E280-I282 PolarHBondContact O-N 3.27Å
281	D	61.9	Low	73.1	Confident	121 Å²	121	95.7 Å²	95.7	65%	0.647	50%	0.496	S	S	*	.			trans	-81.2	49.8	-175.8	-82.9	-36.9	0	0	0	113.9	S279 E283	S279-D281 VanDerWaalsContact C-N 3.3Å; S279-D281 PolarHBondContact O-N 2.99Å; D281-E283 PolarHBondContact O-N 3.48Å
282	I	61.7	Low	72.9	Confident	124 Å²	124	94.3 Å²	94.3	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-59.3	-41.1	-167	-61.4	167.6	0	0	0	113.6	E280 N284 M285 G286	E280-I282 PolarHBondContact O-N 3.27Å; I282-N284 PolarHBondContact O-N 2.77Å; I282-M285 PolarHBondContact O-N 3.1Å; I282-G286 PolarHBondContact O-N 3.43Å
283	E	66.2	Low	72.8	Confident	152 Å²	152	98.9 Å²	98.9	71%	0.71	50%	0.497	S	S	*	.	H	α-helix	trans	-73.5	-23	-167.9	-150.6	-147.3	126.9	0	0	114.6	D281 K287	D281-E283 PolarHBondContact O-N 3.48Å; E283-K287 PolarHBondContact O-NZ 2.6Å; E283-K287 IonicContact OE1-NZ 3.82Å; E283-K287 PolarHBondContact OE1-NZ 3.07Å
284	N	73	Confident	73	Confident	110 Å²	110	101.8 Å²	101.8	59%	0.588	51%	0.511	S	S	*	.	H	α-helix	trans	-86.9	-32.4	173.7	-73.5	-41.2	0	0	0	111.3	I282 K287 V288	I282-N284 PolarHBondContact O-N 2.77Å; N284-K287 PolarHBondContact O-N 2.82Å; N284-V288 PolarHBondContact O-N 3.09Å
285	M	71.9	Confident	73.4	Confident	41 Å²	41	101 Å²	101	20%	0.202	50%	0.502	C	S	.	.	H	α-helix	trans	-68.3	-43.7	-178	-153.4	72.3	85.3	0	0	112	V272 E276 I282 K287 V288 V289	V272-M285 HydrophobicContact CG1-CG 3.37Å; V272-M285 HydrophobicContact CG1-SD 3.55Å; V272-M285 VanDerWaalsContact CG1-SD 3.55Å; E276-M285 HydrophobicContact CG-CB 4.44Å; E276-M285 HydrophobicContact CG-CG 3.82Å; E276-M285 VanDerWaalsContact OE1-CB 3.25Å; E276-M285 WeakPolarHBondContact OE1-CB 3.5Å; E276-M285 WeakPolarHBondContact OE1-CG 3.41Å; I282-M285 PolarHBondContact O-N 3.1Å; M285-K287 VanDerWaalsContact C-N 3.26Å; M285-K287 PolarHBondContact O-N 3.19Å; M285-V288 CarbonylContact O-C 3.59Å; M285-V288 WeakPolarHBondContact O-CA 3.35Å; M285-V288 WeakPolarHBondContact O-CB 3.48Å; M285-V288 PolarHBondContact O-N 2.92Å; M285-V289 PolarHBondContact O-N 2.89Å
286	G	75.3	Confident	74.1	Confident	40 Å²	40	96.3 Å²	96.3	41%	0.412	48%	0.481	S	S	.	.	H	α-helix	trans	-56.9	-36.2	175.1	0	0	0	0	0	113.9	I282 V289 Q290	I282-G286 PolarHBondContact O-N 3.43Å; G286-V289 PolarHBondContact O-N 3.44Å; G286-Q290 WeakPolarHBondContact O-CB 3.44Å; G286-Q290 PolarHBondContact O-N 3.48Å
287	K	80.3	Confident	75.2	Confident	94 Å²	94	96.9 Å²	96.9	41%	0.409	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-36.8	174.1	-61.3	-176.6	-173.5	88	0	111.8	E283 N284 M285 I291	E283-K287 PolarHBondContact O-NZ 2.6Å; E283-K287 IonicContact OE1-NZ 3.82Å; E283-K287 PolarHBondContact OE1-NZ 3.07Å; N284-K287 PolarHBondContact O-N 2.82Å; M285-K287 VanDerWaalsContact C-N 3.26Å; M285-K287 PolarHBondContact O-N 3.19Å; K287-I291 WeakPolarHBondContact O-CG1 3.34Å; K287-I291 PolarHBondContact O-N 3.29Å; K287-I291 VanDerWaalsContact O-N 3.16Å
288	V	82.8	Confident	76.5	Confident	65 Å²	65	92.2 Å²	92.2	39%	0.394	46%	0.463	S	S	.	.	H	α-helix	trans	-67.4	-46.1	174	174.1	0	0	0	0	110.8	N284 M285 Q290 I291 L292	N284-V288 PolarHBondContact O-N 3.09Å; M285-V288 CarbonylContact O-C 3.59Å; M285-V288 WeakPolarHBondContact O-CA 3.35Å; M285-V288 WeakPolarHBondContact O-CB 3.48Å; M285-V288 PolarHBondContact O-N 2.92Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-Q290 PolarHBondContact O-N 2.9Å; V288-I291 PolarHBondContact O-N 3.37Å; V288-I291 VanDerWaalsContact O-N 3.17Å; V288-L292 HydrophobicContact CG1-CD1 4.03Å; V288-L292 HydrophobicContact CG1-CG 4.35Å; V288-L292 WeakPolarHBondContact O-CG 3.18Å; V288-L292 PolarHBondContact O-N 2.72Å
289	V	80.1	Confident	77.9	Confident	16 Å²	16	84.1 Å²	84.1	10%	0.097	43%	0.425	C	S	.	.	H	α-helix	trans	-59	-40.8	176	173.1	0	0	0	0	111.2	T269 V272 M285 G286 L292 R293	T269-V289 HydrophobicContact CG2-CG1 4.21Å; V272-V289 HydrophobicContact CG1-CG2 3.64Å; M285-V289 PolarHBondContact O-N 2.89Å; G286-V289 PolarHBondContact O-N 3.44Å; V289-L292 PolarHBondContact O-N 3.27Å; V289-R293 PolarHBondContact O-N 3.39Å
290	Q	80.7	Confident	79.4	Confident	130 Å²	130	84.7 Å²	84.7	61%	0.607	42%	0.424	S	S	*	.	H	α-helix	trans	-60.5	-45.8	174.9	-169.8	-179	20	0	0	112.1	G286 V288 R293 L294	G286-Q290 WeakPolarHBondContact O-CB 3.44Å; G286-Q290 PolarHBondContact O-N 3.48Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-Q290 PolarHBondContact O-N 2.9Å; Q290-R293 WeakPolarHBondContact O-CB 3.46Å; Q290-R293 PolarHBondContact O-N 2.92Å; Q290-L294 WeakPolarHBondContact O-CG 3.36Å; Q290-L294 PolarHBondContact O-N 3.07Å
291	I	85.4	Confident	80.7	Confident	101 Å²	101	79.6 Å²	79.6	52%	0.518	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-41.4	176.3	-66.8	165.3	0	0	0	110.9	K287 V288 R293 L294 M295	K287-I291 WeakPolarHBondContact O-CG1 3.34Å; K287-I291 PolarHBondContact O-N 3.29Å; K287-I291 VanDerWaalsContact O-N 3.16Å; V288-I291 PolarHBondContact O-N 3.37Å; V288-I291 VanDerWaalsContact O-N 3.17Å; I291-R293 PolarHBondContact O-N 3.03Å; I291-L294 WeakPolarHBondContact O-CB 3.44Å; I291-L294 PolarHBondContact O-N 2.77Å; I291-M295 HydrophobicContact CG2-CG 4.38Å; I291-M295 WeakPolarHBondContact O-CG 3.28Å; I291-M295 PolarHBondContact O-N 3.33Å
292	L	84.4	Confident	82.2	Confident	22 Å²	22	74 Å²	74	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175.2	-68.8	174.7	0	0	0	111.9	A268 V272 V288 V289 L294 M295	A268-L292 HydrophobicContact CB-CD1 3.97Å; A268-L292 HydrophobicContact CB-CD2 3.77Å; A268-L292 HydrophobicContact CB-CG 4.48Å; V272-L292 HydrophobicContact CG2-CD1 4.19Å; V288-L292 HydrophobicContact CG1-CD1 4.03Å; V288-L292 HydrophobicContact CG1-CG 4.35Å; V288-L292 WeakPolarHBondContact O-CG 3.18Å; V288-L292 PolarHBondContact O-N 2.72Å; V289-L292 PolarHBondContact O-N 3.27Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.2Å; L292-M295 WeakPolarHBondContact O-CB 3.5Å; L292-M295 PolarHBondContact O-N 2.95Å
293	R	82.4	Confident	83.5	Confident	119 Å²	119	70 Å²	70	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-42.8	171.8	-114	-173.7	-99	-143.8	-2.8	111.3	D218 V289 Q290 I291 R296	D218-R293 IonicContact OD2-NH1 3.29Å; D218-R293 PolarHBondContact OD2-NH1 2.76Å; D218-R293 VanDerWaalsContact OD2-NH1 3.1Å; V289-R293 PolarHBondContact O-N 3.39Å; Q290-R293 WeakPolarHBondContact O-CB 3.46Å; Q290-R293 PolarHBondContact O-N 2.92Å; I291-R293 PolarHBondContact O-N 3.03Å; R293-R296 VanDerWaalsContact O-CB 3.26Å; R293-R296 WeakPolarHBondContact O-CB 3.38Å; R293-R296 WeakPolarHBondContact O-CD 3.48Å; R293-R296 VanDerWaalsContact O-CG 3.28Å; R293-R296 WeakPolarHBondContact O-CG 3.5Å; R293-R296 PolarHBondContact O-N 3.38Å
294	L	83.4	Confident	84.5	Confident	124 Å²	124	63.2 Å²	63.2	65%	0.649	32%	0.322	S	S	*	.	H	α-helix	trans	-65.4	-37.1	175	-66.4	173.9	0	0	0	113	Q290 I291 L292 R296 I297	Q290-L294 WeakPolarHBondContact O-CG 3.36Å; Q290-L294 PolarHBondContact O-N 3.07Å; I291-L294 WeakPolarHBondContact O-CB 3.44Å; I291-L294 PolarHBondContact O-N 2.77Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.2Å; L294-R296 PolarHBondContact O-N 3.44Å; L294-I297 WeakPolarHBondContact O-CB 3.34Å; L294-I297 VanDerWaalsContact O-CG2 3.23Å; L294-I297 WeakPolarHBondContact O-CG2 3.46Å; L294-I297 PolarHBondContact O-N 3.26Å; L294-I297 VanDerWaalsContact O-N 3.08Å
295	M	87.1	Confident	85.2	Confident	68 Å²	68	59.4 Å²	59.4	34%	0.335	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-18.7	178.4	-62.5	-104.6	-66.1	0	0	113.1	P265 I291 L292 I297 F298	P265-M295 HydrophobicContact CB-CB 4.23Å; P265-M295 HydrophobicContact CG-CB 3.81Å; I291-M295 HydrophobicContact CG2-CG 4.38Å; I291-M295 WeakPolarHBondContact O-CG 3.28Å; I291-M295 PolarHBondContact O-N 3.33Å; L292-M295 WeakPolarHBondContact O-CB 3.5Å; L292-M295 PolarHBondContact O-N 2.95Å; M295-I297 PolarHBondContact O-N 2.94Å; M295-I297 VanDerWaalsContact O-N 3.1Å; M295-F298 HydrophobicContact CB-CD2 4.32Å; M295-F298 HydrophobicContact CB-CE2 4.29Å; M295-F298 HydrophobicContact CE-CE2 4.15Å; M295-F298 WeakPolarHBondContact O-CD2 3.41Å; M295-F298 PolarHBondContact O-N 3.28Å; M295-F298 VanDerWaalsContact O-N 3.12Å; M295-F298 HydrophobicContact SD-CE2 3.65Å; M295-F298 HydrophobicContact SD-CZ 4.46Å
296	R	87.9	Confident	85.9	Confident	28 Å²	28	59.7 Å²	59.7	11%	0.106	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-56.5	-23	173.1	-62.4	173.3	-176.3	-170	0.2	112.6	E226 P265 R293 L294 F298 R299	E226-R296 IonicContact OE1-CZ 2.76Å; E226-R296 IonicContact OE1-NE 2.71Å; E226-R296 IonicContact OE1-NH1 3.37Å; E226-R296 PolarHBondContact OE1-NH1 2.87Å; E226-R296 IonicContact OE2-CZ 3.06Å; E226-R296 IonicContact OE2-NH1 2.72Å; E226-R296 PolarHBondContact OE2-NH1 3.15Å; E226-R296 IonicContact OE2-NH2 3.62Å; P265-R296 HydrophobicContact CB-CB 4.48Å; P265-R296 HydrophobicContact CB-CG 3.63Å; P265-R296 HydrophobicContact CG-CG 4.42Å; R293-R296 VanDerWaalsContact O-CB 3.26Å; R293-R296 WeakPolarHBondContact O-CB 3.38Å; R293-R296 WeakPolarHBondContact O-CD 3.48Å; R293-R296 VanDerWaalsContact O-CG 3.28Å; R293-R296 WeakPolarHBondContact O-CG 3.5Å; R293-R296 PolarHBondContact O-N 3.38Å; L294-R296 PolarHBondContact O-N 3.44Å; R296-F298 PolarHBondContact O-N 2.84Å; R296-F298 VanDerWaalsContact O-N 3.09Å; R296-R299 WeakPolarHBondContact O-CB 3.48Å; R296-R299 WeakPolarHBondContact O-CD 3.36Å; R296-R299 WeakPolarHBondContact O-CG 3.41Å; R296-R299 PolarHBondContact O-N 2.88Å
297	I	89.6	Confident	86.4	Confident	91 Å²	91	60.1 Å²	60.1	47%	0.467	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-54.7	-27.3	174.6	-161.6	166.5	0	0	0	113.5	M202 L294 M295 R299 I300	M202-I297 HydrophobicContact CE-CG1 4.18Å; M202-I297 HydrophobicContact SD-CB 4.34Å; L294-I297 WeakPolarHBondContact O-CB 3.34Å; L294-I297 VanDerWaalsContact O-CG2 3.23Å; L294-I297 WeakPolarHBondContact O-CG2 3.46Å; L294-I297 PolarHBondContact O-N 3.26Å; L294-I297 VanDerWaalsContact O-N 3.08Å; M295-I297 PolarHBondContact O-N 2.94Å; M295-I297 VanDerWaalsContact O-N 3.1Å; I297-R299 PolarHBondContact O-N 3.06Å; I297-R299 VanDerWaalsContact O-N 3.08Å; I297-I300 HydrophobicContact CG1-CD1 3.8Å; I297-I300 WeakPolarHBondContact O-CB 3.26Å; I297-I300 WeakPolarHBondContact O-CG1 3.42Å; I297-I300 PolarHBondContact O-N 3.21Å
298	F	89.1	Confident	86.4	Confident	79 Å²	79	57.7 Å²	57.7	35%	0.346	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.3	-17.7	176	-64	-48.8	0	0	0	113.6	V261 M295 R296 I300 L301	V261-F298 HydrophobicContact CG1-CB 3.83Å; V261-F298 HydrophobicContact CG1-CD2 3.71Å; V261-F298 HydrophobicContact CG1-CE2 4.48Å; V261-F298 HydrophobicContact CG1-CG 3.9Å; M295-F298 HydrophobicContact CB-CD2 4.32Å; M295-F298 HydrophobicContact CB-CE2 4.29Å; M295-F298 HydrophobicContact CE-CE2 4.15Å; M295-F298 WeakPolarHBondContact O-CD2 3.41Å; M295-F298 PolarHBondContact O-N 3.28Å; M295-F298 VanDerWaalsContact O-N 3.12Å; M295-F298 HydrophobicContact SD-CE2 3.65Å; M295-F298 HydrophobicContact SD-CZ 4.46Å; R296-F298 PolarHBondContact O-N 2.84Å; R296-F298 VanDerWaalsContact O-N 3.09Å; F298-I300 PolarHBondContact O-N 3.49Å; F298-L301 HydrophobicContact CB-CD1 4.49Å; F298-L301 HydrophobicContact CD1-CD1 3.94Å; F298-L301 VanDerWaalsContact O-CB 3.29Å; F298-L301 WeakPolarHBondContact O-CB 3.23Å; F298-L301 PolarHBondContact O-N 3.29Å
299	R	90.2	Very high	86.4	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.015	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63	-22.9	172.6	78.7	-163.7	175.4	-164	0.4	113.6	S198 M202 E226 F233 R296 I297 L301 K302	S198-R299 VanDerWaalsContact O-CZ 3.23Å; S198-R299 PolarHBondContact O-NE 2.97Å; S198-R299 VanDerWaalsContact O-NE 3.09Å; S198-R299 PolarHBondContact O-NH2 3.36Å; M202-R299 VanDerWaalsContact CB-NH2 3.31Å; E226-R299 IonicContact OE1-CZ 3.41Å; E226-R299 IonicContact OE1-NH1 2.69Å; E226-R299 PolarHBondContact OE1-NH1 2.86Å; E226-R299 IonicContact OE1-NH2 3.48Å; F233-R299 HydrophobicContact CE2-CB 4.25Å; R296-R299 WeakPolarHBondContact O-CB 3.48Å; R296-R299 WeakPolarHBondContact O-CD 3.36Å; R296-R299 WeakPolarHBondContact O-CG 3.41Å; R296-R299 PolarHBondContact O-N 2.88Å; I297-R299 PolarHBondContact O-N 3.06Å; I297-R299 VanDerWaalsContact O-N 3.08Å; R299-L301 PolarHBondContact O-N 3.06Å; R299-K302 VanDerWaalsContact O-CB 3.29Å; R299-K302 WeakPolarHBondContact O-CB 3.27Å; R299-K302 PolarHBondContact O-N 2.94Å
300	I	92	Very high	86.7	Confident	60 Å²	60	58.1 Å²	58.1	31%	0.308	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-59.8	-37	170.7	-62.4	176.9	0	0	0	110.9	I199 M202 I297 F298 K302 L303	I199-I300 HydrophobicContact CD1-CB 4.46Å; I199-I300 HydrophobicContact CD1-CG1 4.02Å; I199-I300 HydrophobicContact CG1-CG1 3.94Å; I199-I300 HydrophobicContact CG2-CG1 4.49Å; M202-I300 HydrophobicContact CE-CD1 3.97Å; I297-I300 HydrophobicContact CG1-CD1 3.8Å; I297-I300 WeakPolarHBondContact O-CB 3.26Å; I297-I300 WeakPolarHBondContact O-CG1 3.42Å; I297-I300 PolarHBondContact O-N 3.21Å; F298-I300 PolarHBondContact O-N 3.49Å; I300-K302 PolarHBondContact O-N 3.08Å; I300-K302 VanDerWaalsContact O-N 3.1Å; I300-L303 HydrophobicContact CG2-CD1 4.18Å; I300-L303 VanDerWaalsContact O-CB 3.27Å; I300-L303 WeakPolarHBondContact O-CB 3.33Å; I300-L303 WeakPolarHBondContact O-CG 3.39Å; I300-L303 PolarHBondContact O-N 2.99Å
301	L	90.3	Very high	86.8	Confident	83 Å²	83	55.8 Å²	55.8	44%	0.435	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.5	-21.5	-179.2	-58.8	177.3	0	0	0	112.4	I258 F298 R299 L303 A304	I258-L301 HydrophobicContact CG1-CB 4.44Å; I258-L301 VanDerWaalsContact CG2-C 3.49Å; I258-L301 HydrophobicContact CG2-CB 3.78Å; F298-L301 HydrophobicContact CB-CD1 4.49Å; F298-L301 HydrophobicContact CD1-CD1 3.94Å; F298-L301 VanDerWaalsContact O-CB 3.29Å; F298-L301 WeakPolarHBondContact O-CB 3.23Å; F298-L301 PolarHBondContact O-N 3.29Å; R299-L301 PolarHBondContact O-N 3.06Å; L301-L303 PolarHBondContact O-N 3.33Å; L301-A304 WeakPolarHBondContact O-CB 3.13Å; L301-A304 PolarHBondContact O-N 3.21Å
302	K	91.5	Very high	86.4	Confident	2 Å²	2	51 Å²	51	1%	0.009	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-62.4	-20.9	174.9	-169.7	167.4	173.5	-178.4	0	112.9	V195 F233 E236 I258 D259 R299 I300 A304 R305	V195-K302 HydrophobicContact CG2-CB 4.25Å; V195-K302 HydrophobicContact CG2-CD 3.88Å; V195-K302 HydrophobicContact CG2-CG 3.94Å; F233-K302 HydrophobicContact CD1-CD 4.29Å; F233-K302 HydrophobicContact CE1-CD 4.3Å; E236-K302 WeakPolarHBondContact OE1-CE 3.19Å; E236-K302 IonicContact OE1-NZ 2.97Å; E236-K302 PolarHBondContact OE1-NZ 3.08Å; E236-K302 IonicContact OE2-NZ 3.64Å; E236-K302 PolarHBondContact OE2-NZ 3.13Å; I258-K302 HydrophobicContact CG2-CB 4.4Å; D259-K302 WeakPolarHBondContact OD1-CD 3.5Å; D259-K302 WeakPolarHBondContact OD1-CE 3.28Å; D259-K302 IonicContact OD1-NZ 3.66Å; R299-K302 VanDerWaalsContact O-CB 3.29Å; R299-K302 WeakPolarHBondContact O-CB 3.27Å; R299-K302 PolarHBondContact O-N 2.94Å; I300-K302 PolarHBondContact O-N 3.08Å; I300-K302 VanDerWaalsContact O-N 3.1Å; K302-A304 PolarHBondContact O-N 3.45Å; K302-A304 VanDerWaalsContact O-N 3.13Å; K302-R305 PolarHBondContact O-N 3.18Å; K302-R305 VanDerWaalsContact O-N 3.12Å
303	L	90.3	Very high	86.4	Confident	41 Å²	41	53.4 Å²	53.4	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-23.8	167.7	-67.9	173.7	0	0	0	112.8	L192 V195 L196 I199 I300 L301 R305 H306 S307 L310	L192-L303 HydrophobicContact CD1-CD2 3.67Å; V195-L303 HydrophobicContact CB-CD2 4.46Å; V195-L303 HydrophobicContact CG1-CD2 3.58Å; V195-L303 HydrophobicContact CG1-CG 3.83Å; L196-L303 HydrophobicContact CD2-CD2 4.26Å; I199-L303 HydrophobicContact CD1-CD1 3.86Å; I199-L303 HydrophobicContact CD1-CG 4.26Å; I300-L303 HydrophobicContact CG2-CD1 4.18Å; I300-L303 VanDerWaalsContact O-CB 3.27Å; I300-L303 WeakPolarHBondContact O-CB 3.33Å; I300-L303 WeakPolarHBondContact O-CG 3.39Å; I300-L303 PolarHBondContact O-N 2.99Å; L301-L303 PolarHBondContact O-N 3.33Å; L303-R305 PolarHBondContact O-N 3.09Å; L303-H306 CarbonylContact O-C 3.6Å; L303-H306 PolarHBondContact O-N 3.1Å; L303-S307 VanDerWaalsContact O-CB 3.28Å; L303-S307 WeakPolarHBondContact O-CB 3.48Å; L303-S307 PolarHBondContact O-N 3.02Å; L303-L310 HydrophobicContact CB-CD2 4.47Å
304	A	87.9	Confident	86.4	Confident	10 Å²	10	49.7 Å²	49.7	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-29.8	176.7	0	0	0	0	0	112.9	L255 L301 K302 H306 L310 R311	L255-A304 HydrophobicContact CD2-CB 4.39Å; L301-A304 WeakPolarHBondContact O-CB 3.13Å; L301-A304 PolarHBondContact O-N 3.21Å; K302-A304 PolarHBondContact O-N 3.45Å; K302-A304 VanDerWaalsContact O-N 3.13Å; A304-H306 VanDerWaalsContact C-N 3.28Å; A304-H306 PolarHBondContact O-N 3.37Å; A304-L310 HydrophobicContact CB-CB 4.49Å; A304-L310 HydrophobicContact CB-CD2 3.83Å; A304-L310 HydrophobicContact CB-CG 3.9Å; A304-R311 WeakPolarHBondContact O-CG 3.34Å
305	R	86.8	Confident	86.1	Confident	29 Å²	29	45.3 Å²	45.3	11%	0.109	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-31.5	174.7	-176.8	174.3	-72.2	-76.8	8.3	112.3	E176 N256 D259 K302 L303	E176-R305 IonicContact OE1-CZ 3.84Å; E176-R305 IonicContact OE1-NH1 3.03Å; E176-R305 PolarHBondContact OE1-NH1 3.05Å; E176-R305 IonicContact OE2-CZ 3.66Å; E176-R305 IonicContact OE2-NH1 3.78Å; E176-R305 PolarHBondContact OE2-NH1 3.27Å; N256-R305 PolarHBondContact OD1-NH2 2.81Å; D259-R305 IonicContact OD1-NE 2.71Å; D259-R305 IonicContact OD2-CZ 3.21Å; D259-R305 VanDerWaalsContact OD2-CZ 3.3Å; D259-R305 IonicContact OD2-NE 2.8Å; D259-R305 PolarHBondContact OD2-NE 3.12Å; D259-R305 IonicContact OD2-NH2 3.78Å; D259-R305 PolarHBondContact OD2-NH2 3.03Å; K302-R305 PolarHBondContact O-N 3.18Å; K302-R305 VanDerWaalsContact O-N 3.12Å; L303-R305 PolarHBondContact O-N 3.09Å
306	H	85.9	Confident	85.7	Confident	48 Å²	48	42.1 Å²	42.1	22%	0.222	23%	0.233	C	C	.	.	H	α-helix	trans	-102.7	-6.6	-174.7	-61.2	-59.7	0	0	0	113.8	S191 L192 L303 A304	S191-H306 PolarHBondContact OG-NE2 3.48Å; L192-H306 HydrophobicContact CD1-CB 4.05Å; L303-H306 CarbonylContact O-C 3.6Å; L303-H306 PolarHBondContact O-N 3.1Å; A304-H306 VanDerWaalsContact C-N 3.28Å; A304-H306 PolarHBondContact O-N 3.37Å
307	S	86.6	Confident	85.6	Confident	48 Å²	48	44.6 Å²	44.6	34%	0.336	25%	0.248	S	C	.	.			trans	-117.8	104.9	-176.3	177.7	0	0	0	0	111.7	L303 G309 L310 R311	L303-S307 VanDerWaalsContact O-CB 3.28Å; L303-S307 WeakPolarHBondContact O-CB 3.48Å; L303-S307 PolarHBondContact O-N 3.02Å; S307-G309 PolarHBondContact O-N 3.25Å; S307-L310 PolarHBondContact O-N 2.99Å; S307-L310 PolarHBondContact OG-N 3.27Å; S307-R311 WeakPolarHBondContact O-CG 3.12Å; S307-R311 PolarHBondContact O-N 3.04Å
308	V	81	Confident	85.2	Confident	44 Å²	44	49.6 Å²	49.6	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-51.9	-42.1	172.6	-169	0	0	0	0	111.5	L310 R311 S312 Q416 D420	V308-L310 PolarHBondContact O-N 3.27Å; V308-R311 PolarHBondContact O-N 3.17Å; V308-S312 WeakPolarHBondContact O-CB 3.16Å; V308-S312 PolarHBondContact O-N 2.9Å; V308-Q416 HydrophobicContact CG1-CB 4.19Å; V308-Q416 HydrophobicContact CG1-CG 3.54Å; V308-D420 VanDerWaalsContact CG1-OD2 3.3Å; V308-D420 WeakPolarHBondContact CG1-OD2 3.39Å; V308-D420 WeakPolarHBondContact CG2-OD2 3.4Å
309	G	81.9	Confident	84.8	Confident	24 Å²	24	50.5 Å²	50.5	25%	0.247	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-38.9	177.4	0	0	0	0	0	113.3	S307 L313	S307-G309 PolarHBondContact O-N 3.25Å; G309-L313 WeakPolarHBondContact O-CB 3.35Å; G309-L313 PolarHBondContact O-N 2.93Å
310	L	85.8	Confident	84.4	Confident	66 Å²	66	50.3 Å²	50.3	35%	0.346	27%	0.265	S	S	.	.	H	α-helix	trans	-76.9	-33.3	178.9	-171.3	53.9	0	0	0	112.2	L303 A304 S307 V308 L313 G314	L303-L310 HydrophobicContact CB-CD2 4.47Å; A304-L310 HydrophobicContact CB-CB 4.49Å; A304-L310 HydrophobicContact CB-CD2 3.83Å; A304-L310 HydrophobicContact CB-CG 3.9Å; S307-L310 PolarHBondContact O-N 2.99Å; S307-L310 PolarHBondContact OG-N 3.27Å; V308-L310 PolarHBondContact O-N 3.27Å; L310-L313 HydrophobicContact CD1-CD2 4.13Å; L310-L313 PolarHBondContact O-N 3.39Å; L310-G314 PolarHBondContact O-N 2.87Å
311	R	82.6	Confident	84.1	Confident	80 Å²	80	55.7 Å²	55.7	30%	0.302	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-51.3	167.3	-62.2	-170.3	-65.3	166.5	4.4	110.7	A304 S307 V308 L313 G314 A315 D420	A304-R311 WeakPolarHBondContact O-CG 3.34Å; S307-R311 WeakPolarHBondContact O-CG 3.12Å; S307-R311 PolarHBondContact O-N 3.04Å; V308-R311 PolarHBondContact O-N 3.17Å; R311-L313 PolarHBondContact O-N 3.16Å; R311-G314 PolarHBondContact O-N 3.39Å; R311-A315 PolarHBondContact O-N 3.03Å; R311-D420 IonicContact CZ-OD1 3.3Å; R311-D420 VanDerWaalsContact NH2-CG 3.34Å; R311-D420 IonicContact NH2-OD1 3.05Å; R311-D420 PolarHBondContact NH2-OD1 3.49Å; R311-D420 IonicContact NH2-OD2 2.73Å; R311-D420 PolarHBondContact NH2-OD2 3.46Å
312	S	77.4	Confident	83.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-40.3	178	177	0	0	0	0	112.5	V308 A315 T316 Y413	V308-S312 WeakPolarHBondContact O-CB 3.16Å; V308-S312 PolarHBondContact O-N 2.9Å; S312-A315 PolarHBondContact O-N 3.32Å; S312-T316 VanDerWaalsContact O-CB 3.28Å; S312-T316 WeakPolarHBondContact O-CB 3.47Å; S312-T316 PolarHBondContact O-N 3.16Å; S312-T316 PolarHBondContact O-OG1 3.4Å; S312-Y413 WeakPolarHBondContact OG-CA 3.21Å; S312-Y413 PolarHBondContact OG-N 2.86Å; S312-Y413 VanDerWaalsContact OG-N 3.16Å
313	L	85.1	Confident	83.8	Confident	73 Å²	73	59.1 Å²	59.1	38%	0.382	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-46.1	175.3	-176.4	66.1	0	0	0	111.4	G309 L310 R311 T316 L317 F409	G309-L313 WeakPolarHBondContact O-CB 3.35Å; G309-L313 PolarHBondContact O-N 2.93Å; L310-L313 HydrophobicContact CD1-CD2 4.13Å; L310-L313 PolarHBondContact O-N 3.39Å; R311-L313 PolarHBondContact O-N 3.16Å; L313-T316 PolarHBondContact O-N 3.47Å; L313-L317 HydrophobicContact CG-CD1 4.21Å; L313-L317 WeakPolarHBondContact O-CB 3.39Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.38Å; L313-L317 PolarHBondContact O-N 2.97Å; L313-F409 HydrophobicContact CB-CE2 4.14Å; L313-F409 HydrophobicContact CD1-CD2 4.32Å; L313-F409 HydrophobicContact CD1-CE2 4.49Å
314	G	82.8	Confident	83.7	Confident	40 Å²	40	58.8 Å²	58.8	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-43.6	176.6	0	0	0	0	0	113.1	L310 R311 R318	L310-G314 PolarHBondContact O-N 2.87Å; R311-G314 PolarHBondContact O-N 3.39Å; G314-R318 WeakPolarHBondContact O-CB 3.31Å; G314-R318 PolarHBondContact O-N 2.89Å
315	A	76.1	Confident	83.8	Confident	33 Å²	33	60 Å²	60	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-45.5	173.7	0	0	0	0	0	111.6	R311 S312 L317 R318 H319	R311-A315 PolarHBondContact O-N 3.03Å; S312-A315 PolarHBondContact O-N 3.32Å; A315-L317 PolarHBondContact O-N 2.72Å; A315-R318 WeakPolarHBondContact O-CB 3.48Å; A315-R318 PolarHBondContact O-N 2.79Å; A315-H319 PolarHBondContact O-CD2 3.37Å; A315-H319 VanDerWaalsContact O-CD2 3.26Å; A315-H319 PolarHBondContact O-N 2.98Å
316	T	79.6	Confident	84	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-51.8	177.5	-58.4	0	0	0	0	110.7	S312 L313 R318 H319 S320 K408 F409	S312-T316 VanDerWaalsContact O-CB 3.28Å; S312-T316 WeakPolarHBondContact O-CB 3.47Å; S312-T316 PolarHBondContact O-N 3.16Å; S312-T316 PolarHBondContact O-OG1 3.4Å; L313-T316 PolarHBondContact O-N 3.47Å; T316-R318 VanDerWaalsContact C-N 3.27Å; T316-R318 PolarHBondContact O-N 3.3Å; T316-H319 CarbonylContact O-C 3.38Å; T316-H319 PolarHBondContact O-N 3.05Å; T316-H319 VanDerWaalsContact O-N 3.09Å; T316-S320 WeakPolarHBondContact O-CB 3.47Å; T316-S320 PolarHBondContact O-N 3.48Å; T316-S320 PolarHBondContact O-OG 2.93Å; T316-K408 HydrophobicContact CG2-CB 4.07Å; T316-F409 HydrophobicContact CG2-CB 4Å; T316-F409 WeakPolarHBondContact OG1-CA 3.28Å
317	L	84.4	Confident	84.3	Confident	80 Å²	80	60.1 Å²	60.1	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-37.3	178.1	-72.2	172	0	0	0	112.4	L313 A315 Y321 V324	L313-L317 HydrophobicContact CG-CD1 4.21Å; L313-L317 WeakPolarHBondContact O-CB 3.39Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.38Å; L313-L317 PolarHBondContact O-N 2.97Å; A315-L317 PolarHBondContact O-N 2.72Å; L317-Y321 WeakPolarHBondContact O-CA 3.49Å; L317-Y321 PolarHBondContact O-N 2.79Å; L317-Y321 VanDerWaalsContact O-N 3.08Å; L317-V324 HydrophobicContact CD2-CG2 3.97Å
318	R	81.7	Confident	84.6	Confident	195 Å²	195	63.1 Å²	63.1	74%	0.736	33%	0.325	S	S	*	.	H	α-helix	trans	-66.1	-40	175.2	-177.2	177	177.4	-178.3	-4.4	112.4	G314 A315 T316 Y321	G314-R318 WeakPolarHBondContact O-CB 3.31Å; G314-R318 PolarHBondContact O-N 2.89Å; A315-R318 WeakPolarHBondContact O-CB 3.48Å; A315-R318 PolarHBondContact O-N 2.79Å; T316-R318 VanDerWaalsContact C-N 3.27Å; T316-R318 PolarHBondContact O-N 3.3Å; R318-Y321 WeakPolarHBondContact O-CD1 3.48Å
319	H	79.9	Confident	85.2	Confident	98 Å²	98	65.8 Å²	65.8	45%	0.454	34%	0.337	S	S	.	.	H	α-helix	trans	-85.5	-17.8	178.8	-74.7	-79.3	0	0	0	113.9	A315 T316 Y412	A315-H319 PolarHBondContact O-CD2 3.37Å; A315-H319 VanDerWaalsContact O-CD2 3.26Å; A315-H319 PolarHBondContact O-N 2.98Å; T316-H319 CarbonylContact O-C 3.38Å; T316-H319 PolarHBondContact O-N 3.05Å; T316-H319 VanDerWaalsContact O-N 3.09Å; H319-Y412 HydrophobicContact CB-CE2 4.04Å; H319-Y412 AromaticContact CD2-CZ 3.9Å; H319-Y412 AromaticContact CG-CZ 3.91Å; H319-Y412 VanDerWaalsContact CG-OH 3.29Å
320	S	82.9	Confident	85.7	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	35%	0.347	C	S	.	.	S	Bend	trans	-102.4	12.6	174.8	71.5	0	0	0	0	113.3	T316 H322 E323 V324	T316-S320 WeakPolarHBondContact O-CB 3.47Å; T316-S320 PolarHBondContact O-N 3.48Å; T316-S320 PolarHBondContact O-OG 2.93Å; S320-H322 PolarHBondContact O-N 3.08Å; S320-E323 WeakPolarHBondContact O-CA 3.34Å; S320-E323 WeakPolarHBondContact O-CB 3.24Å; S320-E323 PolarHBondContact O-N 3.17Å; S320-V324 WeakPolarHBondContact O-CG2 3.45Å; S320-V324 PolarHBondContact O-N 3.3Å; S320-V324 WeakPolarHBondContact OG-CG2 3.48Å
321	Y	86.4	Confident	86.1	Confident	172 Å²	172	67.5 Å²	67.5	68%	0.675	34%	0.336	S	S	*	.	H	α-helix	trans	-53.6	-32.6	-175.2	83.1	-84.8	0	0	0	113.7	L317 R318 G325	L317-Y321 WeakPolarHBondContact O-CA 3.49Å; L317-Y321 PolarHBondContact O-N 2.79Å; L317-Y321 VanDerWaalsContact O-N 3.08Å; R318-Y321 WeakPolarHBondContact O-CD1 3.48Å; Y321-G325 WeakPolarHBondContact O-CA 3.48Å; Y321-G325 PolarHBondContact O-N 3.31Å
322	H	86.3	Confident	86.7	Confident	116 Å²	116	66.9 Å²	66.9	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-47.6	173.7	-178.6	-97	0	0	0	112	S320 G325 L326	S320-H322 PolarHBondContact O-N 3.08Å; H322-G325 PolarHBondContact O-N 2.84Å; H322-L326 WeakPolarHBondContact O-CB 3.22Å; H322-L326 PolarHBondContact O-N 2.89Å
323	E	88	Confident	87.6	Confident	42 Å²	42	70.3 Å²	70.3	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-67.2	-41.9	178.7	-50.5	-48	127.6	0	0	111.9	S320 L326 L327 I404 I405	S320-E323 WeakPolarHBondContact O-CA 3.34Å; S320-E323 WeakPolarHBondContact O-CB 3.24Å; S320-E323 PolarHBondContact O-N 3.17Å; E323-L326 PolarHBondContact O-N 2.74Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 PolarHBondContact O-N 2.67Å; E323-I404 HydrophobicContact CG-CG2 4.16Å; E323-I405 HydrophobicContact CB-CG1 4.47Å
324	V	88.9	Confident	88.1	Confident	33 Å²	33	67.2 Å²	67.2	20%	0.2	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-42.7	174.9	176.4	0	0	0	0	110.2	L317 S320 L327 L328 I405	L317-V324 HydrophobicContact CD2-CG2 3.97Å; S320-V324 WeakPolarHBondContact O-CG2 3.45Å; S320-V324 PolarHBondContact O-N 3.3Å; S320-V324 WeakPolarHBondContact OG-CG2 3.48Å; V324-L327 PolarHBondContact O-N 2.7Å; V324-L328 HydrophobicContact CG1-CD1 4.17Å; V324-L328 WeakPolarHBondContact O-CB 3.45Å; V324-L328 VanDerWaalsContact O-CG 3.31Å; V324-L328 WeakPolarHBondContact O-CG 3.49Å; V324-L328 PolarHBondContact O-N 3.04Å; V324-I405 HydrophobicContact CG2-CD1 3.71Å; V324-I405 HydrophobicContact CG2-CG1 4.2Å
325	G	90.7	Very high	88.8	Confident	35 Å²	35	66.5 Å²	66.5	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-40.5	174.9	0	0	0	0	0	112.6	Y321 H322 L328 L329	Y321-G325 WeakPolarHBondContact O-CA 3.48Å; Y321-G325 PolarHBondContact O-N 3.31Å; H322-G325 PolarHBondContact O-N 2.84Å; G325-L328 PolarHBondContact O-N 2.88Å; G325-L329 VanDerWaalsContact O-CB 3.31Å; G325-L329 WeakPolarHBondContact O-CB 3.42Å; G325-L329 PolarHBondContact O-N 3.44Å
326	L	90.4	Very high	89.8	Confident	57 Å²	57	67.2 Å²	67.2	30%	0.298	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-42.3	176.5	-172	65.4	0	0	0	112.1	H322 E323 L329 F330	H322-L326 WeakPolarHBondContact O-CB 3.22Å; H322-L326 PolarHBondContact O-N 2.89Å; E323-L326 PolarHBondContact O-N 2.74Å; L326-L329 PolarHBondContact O-N 3.23Å; L326-F330 HydrophobicContact CD1-CD2 4.44Å; L326-F330 HydrophobicContact CD1-CE1 3.97Å; L326-F330 HydrophobicContact CD1-CE2 3.82Å; L326-F330 HydrophobicContact CD1-CZ 3.55Å; L326-F330 HydrophobicContact CD2-CE2 4Å; L326-F330 HydrophobicContact CD2-CZ 4.33Å; L326-F330 HydrophobicContact CG-CD2 4.11Å; L326-F330 HydrophobicContact CG-CE2 3.62Å; L326-F330 HydrophobicContact CG-CZ 3.91Å; L326-F330 WeakPolarHBondContact O-CG 3.35Å; L326-F330 PolarHBondContact O-N 3.44Å
327	L	91.4	Very high	90.6	Very high	23 Å²	23	71.4 Å²	71.4	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-49.7	172.2	172.6	63.1	0	0	0	111.4	E323 V324 L329 F330 L331 P401 I405	E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 PolarHBondContact O-N 2.67Å; V324-L327 PolarHBondContact O-N 2.7Å; L327-L329 VanDerWaalsContact C-N 3.32Å; L327-L329 PolarHBondContact O-N 3.25Å; L327-F330 PolarHBondContact O-N 3.04Å; L327-L331 HydrophobicContact CD1-CD1 3.96Å; L327-L331 HydrophobicContact CD1-CG 4.24Å; L327-L331 HydrophobicContact CG-CD1 4.12Å; L327-L331 WeakPolarHBondContact O-CB 3.4Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 3.41Å; L327-P401 HydrophobicContact CB-CB 3.82Å; L327-P401 HydrophobicContact CB-CG 3.98Å; L327-P401 HydrophobicContact CD1-CB 4.15Å; L327-P401 HydrophobicContact CD1-CG 3.86Å; L327-P401 HydrophobicContact CD2-CB 4.26Å; L327-P401 HydrophobicContact CG-CB 4.28Å; L327-P401 HydrophobicContact CG-CG 4.41Å; L327-I405 HydrophobicContact CD2-CD1 4.42Å
328	L	92.5	Very high	91.2	Very high	111 Å²	111	68.6 Å²	68.6	58%	0.581	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-37.1	178.7	-70.3	173.6	0	0	0	112	V324 G325 S332	V324-L328 HydrophobicContact CG1-CD1 4.17Å; V324-L328 WeakPolarHBondContact O-CB 3.45Å; V324-L328 VanDerWaalsContact O-CG 3.31Å; V324-L328 WeakPolarHBondContact O-CG 3.49Å; V324-L328 PolarHBondContact O-N 3.04Å; G325-L328 PolarHBondContact O-N 2.88Å; L328-S332 VanDerWaalsContact O-CB 3.27Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3.13Å
329	L	93.4	Very high	91.9	Very high	100 Å²	100	59.3 Å²	59.3	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-50.1	175.1	-178.9	65.7	0	0	0	111.5	G325 L326 L327 L331 S332 V333	G325-L329 VanDerWaalsContact O-CB 3.31Å; G325-L329 WeakPolarHBondContact O-CB 3.42Å; G325-L329 PolarHBondContact O-N 3.44Å; L326-L329 PolarHBondContact O-N 3.23Å; L327-L329 VanDerWaalsContact C-N 3.32Å; L327-L329 PolarHBondContact O-N 3.25Å; L329-L331 PolarHBondContact O-N 2.95Å; L329-S332 PolarHBondContact O-N 2.83Å; L329-V333 HydrophobicContact CD1-CG2 4.49Å; L329-V333 WeakPolarHBondContact O-CG2 3.27Å; L329-V333 PolarHBondContact O-N 2.87Å
330	F	93.5	Very high	92.8	Very high	103 Å²	103	58 Å²	58	45%	0.452	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-38.7	178.7	-68.1	-27.8	0	0	0	112.6	L326 L327 G334 V397	L326-F330 HydrophobicContact CD1-CD2 4.44Å; L326-F330 HydrophobicContact CD1-CE1 3.97Å; L326-F330 HydrophobicContact CD1-CE2 3.82Å; L326-F330 HydrophobicContact CD1-CZ 3.55Å; L326-F330 HydrophobicContact CD2-CE2 4Å; L326-F330 HydrophobicContact CD2-CZ 4.33Å; L326-F330 HydrophobicContact CG-CD2 4.11Å; L326-F330 HydrophobicContact CG-CE2 3.62Å; L326-F330 HydrophobicContact CG-CZ 3.91Å; L326-F330 WeakPolarHBondContact O-CG 3.35Å; L326-F330 PolarHBondContact O-N 3.44Å; L327-F330 PolarHBondContact O-N 3.04Å; F330-G334 PolarHBondContact O-N 2.75Å; F330-V397 HydrophobicContact CB-CG1 3.7Å
331	L	94.2	Very high	93.4	Very high	23 Å²	23	61.7 Å²	61.7	12%	0.12	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-48.3	171.5	-76.9	173.6	0	0	0	111.6	L327 L329 V333 G334 I335 M368 V397 V398	L327-L331 HydrophobicContact CD1-CD1 3.96Å; L327-L331 HydrophobicContact CD1-CG 4.24Å; L327-L331 HydrophobicContact CG-CD1 4.12Å; L327-L331 WeakPolarHBondContact O-CB 3.4Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 3.41Å; L329-L331 PolarHBondContact O-N 2.95Å; L331-V333 VanDerWaalsContact C-N 3.31Å; L331-V333 PolarHBondContact O-N 3.23Å; L331-G334 PolarHBondContact O-N 3.47Å; L331-I335 HydrophobicContact CB-CD1 4.48Å; L331-I335 WeakPolarHBondContact O-CB 3.32Å; L331-I335 WeakPolarHBondContact O-CD1 3.33Å; L331-I335 WeakPolarHBondContact O-CG1 3.35Å; L331-I335 PolarHBondContact O-N 3.01Å; L331-M368 HydrophobicContact CD2-CB 4.45Å; L331-M368 HydrophobicContact CD2-CE 4.13Å; L331-V397 HydrophobicContact CD2-CG1 4.11Å; L331-V397 HydrophobicContact CG-CG1 4.19Å; L331-V398 HydrophobicContact CD2-CG2 3.84Å
332	S	95.4	Very high	93.9	Very high	68 Å²	68	53.5 Å²	53.5	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-39.1	179.5	-173	0	0	0	0	112.7	L328 L329 S336	L328-S332 VanDerWaalsContact O-CB 3.27Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3.13Å; L329-S332 PolarHBondContact O-N 2.83Å; S332-S336 WeakPolarHBondContact O-CB 3.25Å; S332-S336 PolarHBondContact O-N 2.99Å; S332-S336 VanDerWaalsContact O-N 3.12Å; S332-S336 PolarHBondContact O-OG 2.78Å
333	V	96	Very high	94.4	Very high	72 Å²	72	51.4 Å²	51.4	44%	0.436	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-47.3	175.8	170.6	0	0	0	0	110.7	L329 L331 S336 I337	L329-V333 HydrophobicContact CD1-CG2 4.49Å; L329-V333 WeakPolarHBondContact O-CG2 3.27Å; L329-V333 PolarHBondContact O-N 2.87Å; L331-V333 VanDerWaalsContact C-N 3.31Å; L331-V333 PolarHBondContact O-N 3.23Å; V333-S336 PolarHBondContact O-N 2.78Å; V333-I337 HydrophobicContact CG1-CD1 3.73Å; V333-I337 WeakPolarHBondContact O-CG1 3.36Å; V333-I337 PolarHBondContact O-N 3.32Å
334	G	95.8	Very high	94.7	Very high	9 Å²	9	52.2 Å²	52.2	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-49	178.5	0	0	0	0	0	112.7	F330 L331 S336 I337 F338 M368	F330-G334 PolarHBondContact O-N 2.75Å; L331-G334 PolarHBondContact O-N 3.47Å; G334-S336 VanDerWaalsContact C-N 3.34Å; G334-S336 PolarHBondContact O-N 3.2Å; G334-I337 PolarHBondContact O-N 3.35Å; G334-F338 WeakPolarHBondContact O-CD2 3.47Å; G334-F338 PolarHBondContact O-N 3.03Å; G334-M368 VanDerWaalsContact C-SD 3.53Å
335	I	96.9	Very high	95	Very high	24 Å²	24	53 Å²	53	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-52.7	174.7	-70.4	162	0	0	0	109.3	L331 I337 F338 S339 W361 A364 T365 M368	L331-I335 HydrophobicContact CB-CD1 4.48Å; L331-I335 WeakPolarHBondContact O-CB 3.32Å; L331-I335 WeakPolarHBondContact O-CD1 3.33Å; L331-I335 WeakPolarHBondContact O-CG1 3.35Å; L331-I335 PolarHBondContact O-N 3.01Å; I335-I337 VanDerWaalsContact C-N 3.33Å; I335-I337 PolarHBondContact O-N 3.06Å; I335-F338 PolarHBondContact O-N 3.02Å; I335-S339 VanDerWaalsContact O-CB 3.27Å; I335-S339 WeakPolarHBondContact O-CB 3.21Å; I335-S339 PolarHBondContact O-N 2.84Å; I335-S339 PolarHBondContact O-OG 2.98Å; I335-W361 HydrophobicContact CG2-CB 4.22Å; I335-W361 HydrophobicContact CG2-CG 4.26Å; I335-A364 HydrophobicContact CG2-CB 4.24Å; I335-T365 HydrophobicContact CD1-CG2 4.3Å; I335-T365 WeakPolarHBondContact CD1-OG1 3.26Å; I335-M368 HydrophobicContact CG1-SD 3.93Å; I335-M368 PolarHBondContact N-SD 2.97Å
336	S	96.8	Very high	95.1	Very high	48 Å²	48	51.4 Å²	51.4	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-57.2	-43.1	-179.1	-60.3	0	0	0	0	113.1	S332 V333 G334 V340	S332-S336 WeakPolarHBondContact O-CB 3.25Å; S332-S336 PolarHBondContact O-N 2.99Å; S332-S336 VanDerWaalsContact O-N 3.12Å; S332-S336 PolarHBondContact O-OG 2.78Å; V333-S336 PolarHBondContact O-N 2.78Å; G334-S336 VanDerWaalsContact C-N 3.34Å; G334-S336 PolarHBondContact O-N 3.2Å; S336-V340 WeakPolarHBondContact O-CG2 3.24Å; S336-V340 PolarHBondContact O-N 2.9Å
337	I	97.1	Very high	95.1	Very high	89 Å²	89	53.3 Å²	53.3	46%	0.456	29%	0.289	S	S	.	.	H	α-helix	trans	-68.5	-54	179.7	-68.2	168.2	0	0	0	110.9	V333 G334 I335 S339 V340 L341	V333-I337 HydrophobicContact CG1-CD1 3.73Å; V333-I337 WeakPolarHBondContact O-CG1 3.36Å; V333-I337 PolarHBondContact O-N 3.32Å; G334-I337 PolarHBondContact O-N 3.35Å; I335-I337 VanDerWaalsContact C-N 3.33Å; I335-I337 PolarHBondContact O-N 3.06Å; I337-S339 VanDerWaalsContact C-N 3.3Å; I337-S339 PolarHBondContact O-N 3.5Å; I337-V340 PolarHBondContact O-N 2.83Å; I337-L341 HydrophobicContact CG2-CD1 3.84Å; I337-L341 HydrophobicContact CG2-CG 4.38Å; I337-L341 WeakPolarHBondContact O-CG 3.34Å; I337-L341 PolarHBondContact O-N 3.29Å
338	F	97.2	Very high	94.8	Very high	21 Å²	21	57.8 Å²	57.8	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-32	-175.8	-73.9	-64.1	0	0	0	112.6	G334 I335 L341 I342 A364 M368 I386 T389 C390 C393	G334-F338 WeakPolarHBondContact O-CD2 3.47Å; G334-F338 PolarHBondContact O-N 3.03Å; I335-F338 PolarHBondContact O-N 3.02Å; F338-L341 HydrophobicContact CD1-CD1 4.29Å; F338-L341 PolarHBondContact O-N 3.37Å; F338-I342 WeakPolarHBondContact O-CB 3.49Å; F338-I342 WeakPolarHBondContact O-CG2 3.21Å; F338-I342 PolarHBondContact O-N 2.76Å; F338-A364 HydrophobicContact CB-CB 4.42Å; F338-M368 HydrophobicContact CD2-SD 4.09Å; F338-I386 HydrophobicContact CD1-CG2 4.14Å; F338-T389 HydrophobicContact CE1-CG2 4.26Å; F338-T389 HydrophobicContact CZ-CG2 4.38Å; F338-C390 HydrophobicContact CB-CB 4.28Å; F338-C390 HydrophobicContact CD1-CB 3.64Å; F338-C390 HydrophobicContact CD2-CB 4.03Å; F338-C390 HydrophobicContact CE1-CB 3.92Å; F338-C390 HydrophobicContact CE2-CB 4.3Å; F338-C390 HydrophobicContact CG-CB 3.72Å; F338-C390 VanDerWaalsContact CG-SG 3.58Å; F338-C390 HydrophobicContact CZ-CB 4.25Å; F338-C393 HydrophobicContact CE2-CB 3.87Å; F338-C393 HydrophobicContact CZ-CB 3.9Å
339	S	97.1	Very high	94.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.7	-36.4	175	-58.7	0	0	0	0	113.6	I335 I337 Y343 C360 W361 A364	I335-S339 VanDerWaalsContact O-CB 3.27Å; I335-S339 WeakPolarHBondContact O-CB 3.21Å; I335-S339 PolarHBondContact O-N 2.84Å; I335-S339 PolarHBondContact O-OG 2.98Å; I337-S339 VanDerWaalsContact C-N 3.3Å; I337-S339 PolarHBondContact O-N 3.5Å; S339-Y343 WeakPolarHBondContact O-CB 3.3Å; S339-Y343 PolarHBondContact O-N 2.76Å; S339-Y343 VanDerWaalsContact O-N 3.1Å; S339-C360 WeakPolarHBondContact CB-O 3.24Å; S339-C360 WeakPolarHBondContact O-CB 3.46Å; S339-C360 PolarHBondContact OG-O 3.41Å; S339-W361 VanDerWaalsContact OG-CA 3.26Å; S339-W361 WeakPolarHBondContact OG-CA 3.48Å; S339-W361 PolarHBondContact OG-N 2.93Å; S339-A364 WeakPolarHBondContact OG-CB 3.44Å
340	V	97.1	Very high	93.9	Very high	70 Å²	70	59.6 Å²	59.6	42%	0.424	32%	0.317	S	S	.	.	H	α-helix	trans	-72.4	-40.5	174.5	172.9	0	0	0	0	110.8	S336 I337 S344	S336-V340 WeakPolarHBondContact O-CG2 3.24Å; S336-V340 PolarHBondContact O-N 2.9Å; I337-V340 PolarHBondContact O-N 2.83Å; V340-S344 WeakPolarHBondContact O-CB 3.49Å; V340-S344 PolarHBondContact O-N 3.48Å; V340-S344 PolarHBondContact O-OG 2.99Å
341	L	96.7	Very high	93.5	Very high	79 Å²	79	59.7 Å²	59.7	41%	0.414	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-47.7	176.7	-70.4	175.3	0	0	0	111.9	I337 F338 S344 V345 I386	I337-L341 HydrophobicContact CG2-CD1 3.84Å; I337-L341 HydrophobicContact CG2-CG 4.38Å; I337-L341 WeakPolarHBondContact O-CG 3.34Å; I337-L341 PolarHBondContact O-N 3.29Å; F338-L341 HydrophobicContact CD1-CD1 4.29Å; F338-L341 PolarHBondContact O-N 3.37Å; L341-S344 PolarHBondContact O-N 2.98Å; L341-V345 PolarHBondContact O-N 3.06Å; L341-I386 HydrophobicContact CB-CD1 4.37Å; L341-I386 HydrophobicContact CB-CG2 4.02Å
342	I	96.3	Very high	93.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-43.5	-178.8	-152.1	71.5	0	0	0	111.1	F338 S344 V345 E346 L354 C360 W363 P378 G383 I386	F338-I342 WeakPolarHBondContact O-CB 3.49Å; F338-I342 WeakPolarHBondContact O-CG2 3.21Å; F338-I342 PolarHBondContact O-N 2.76Å; I342-S344 VanDerWaalsContact C-N 3.3Å; I342-S344 PolarHBondContact O-N 3.08Å; I342-V345 PolarHBondContact O-N 3.41Å; I342-E346 HydrophobicContact CD1-CG 4.5Å; I342-E346 HydrophobicContact CG1-CG 4.09Å; I342-E346 WeakPolarHBondContact O-CB 3.48Å; I342-E346 WeakPolarHBondContact O-CG 3.21Å; I342-E346 PolarHBondContact O-N 3.01Å; I342-L354 HydrophobicContact CG1-CD1 3.81Å; I342-L354 HydrophobicContact CG2-CD1 4.39Å; I342-C360 HydrophobicContact CG2-CB 3.8Å; I342-W363 HydrophobicContact CB-CE3 4.25Å; I342-W363 HydrophobicContact CB-CH2 4.33Å; I342-W363 HydrophobicContact CB-CZ3 3.78Å; I342-W363 HydrophobicContact CD1-CH2 3.86Å; I342-W363 HydrophobicContact CD1-CZ2 4.46Å; I342-W363 HydrophobicContact CD1-CZ3 4.19Å; I342-W363 HydrophobicContact CG1-CE3 4.23Å; I342-W363 HydrophobicContact CG1-CH2 3.9Å; I342-W363 HydrophobicContact CG1-CZ2 4.47Å; I342-W363 HydrophobicContact CG1-CZ3 3.78Å; I342-W363 HydrophobicContact CG2-CE3 3.73Å; I342-W363 HydrophobicContact CG2-CZ3 3.75Å; I342-P378 HydrophobicContact CD1-CB 3.89Å; I342-P378 HydrophobicContact CD1-CG 4.16Å; I342-P378 HydrophobicContact CG1-CB 4.25Å; I342-G383 VanDerWaalsContact CD1-O 3.26Å; I342-G383 WeakPolarHBondContact CD1-O 3.43Å; I342-I386 HydrophobicContact CD1-CB 3.96Å; I342-I386 HydrophobicContact CD1-CG2 3.88Å
343	Y	96.1	Very high	92.8	Very high	72 Å²	72	58.2 Å²	58.2	28%	0.282	32%	0.318	S	S	.	.	H	α-helix	trans	-57	-44	174.5	174.4	-106.9	0	0	0	111.6	S339 V345 E346 K347 I357	S339-Y343 WeakPolarHBondContact O-CB 3.3Å; S339-Y343 PolarHBondContact O-N 2.76Å; S339-Y343 VanDerWaalsContact O-N 3.1Å; Y343-V345 PolarHBondContact O-N 3.47Å; Y343-V345 VanDerWaalsContact O-N 3.15Å; Y343-E346 PolarHBondContact O-N 3.29Å; Y343-K347 HydrophobicContact CD2-CB 4.18Å; Y343-K347 HydrophobicContact CE1-CD 4.24Å; Y343-K347 HydrophobicContact CE2-CB 3.87Å; Y343-K347 WeakPolarHBondContact O-CB 3.43Å; Y343-K347 VanDerWaalsContact O-CG 3.25Å; Y343-K347 WeakPolarHBondContact O-CG 3.46Å; Y343-K347 PolarHBondContact O-N 3.12Å; Y343-I357 HydrophobicContact CD1-CD1 4.39Å; Y343-I357 HydrophobicContact CD1-CG1 3.91Å; Y343-I357 HydrophobicContact CD2-CG1 4.49Å; Y343-I357 HydrophobicContact CE1-CG1 4.28Å; Y343-I357 HydrophobicContact CG-CG1 4.03Å
344	S	94.4	Very high	92.6	Very high	59 Å²	59	54.9 Å²	54.9	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-24.7	-177.5	-61.1	0	0	0	0	114	V340 L341 I342 K347	V340-S344 WeakPolarHBondContact O-CB 3.49Å; V340-S344 PolarHBondContact O-N 3.48Å; V340-S344 PolarHBondContact O-OG 2.99Å; L341-S344 PolarHBondContact O-N 2.98Å; I342-S344 VanDerWaalsContact C-N 3.3Å; I342-S344 PolarHBondContact O-N 3.08Å; S344-K347 WeakPolarHBondContact O-CE 3.48Å
345	V	95.1	Very high	92.3	Very high	51 Å²	51	59 Å²	59	31%	0.309	32%	0.321	S	S	.	.	H	α-helix	trans	-99.9	-32.9	-178.5	174.6	0	0	0	0	112.3	L341 I342 Y343 T380 A382 I386	L341-V345 PolarHBondContact O-N 3.06Å; I342-V345 PolarHBondContact O-N 3.41Å; Y343-V345 PolarHBondContact O-N 3.47Å; Y343-V345 VanDerWaalsContact O-N 3.15Å; V345-T380 WeakPolarHBondContact CG1-OG1 3.33Å; V345-A382 HydrophobicContact CG1-CB 3.6Å; V345-I386 HydrophobicContact CB-CD1 4.36Å; V345-I386 HydrophobicContact CG2-CD1 3.72Å
346	E	93.9	Very high	92.2	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-94	-20.3	-174.7	-65.6	-78.3	139.9	0	0	113.6	I342 Y343 D348 D349 S352 L354 P378 V379 T380	I342-E346 HydrophobicContact CD1-CG 4.5Å; I342-E346 HydrophobicContact CG1-CG 4.09Å; I342-E346 WeakPolarHBondContact O-CB 3.48Å; I342-E346 WeakPolarHBondContact O-CG 3.21Å; I342-E346 PolarHBondContact O-N 3.01Å; Y343-E346 PolarHBondContact O-N 3.29Å; E346-D348 PolarHBondContact O-N 3Å; E346-D349 PolarHBondContact O-N 3.07Å; E346-D349 VanDerWaalsContact O-N 3.07Å; E346-S352 WeakPolarHBondContact OE2-CB 3.5Å; E346-S352 PolarHBondContact OE2-OG 3.48Å; E346-L354 HydrophobicContact CB-CB 4.09Å; E346-L354 HydrophobicContact CB-CD1 4.31Å; E346-L354 HydrophobicContact CG-CD1 3.92Å; E346-P378 HydrophobicContact CG-CB 4.07Å; E346-P378 VanDerWaalsContact OE1-CB 3.29Å; E346-P378 WeakPolarHBondContact OE1-CB 3.45Å; E346-P378 WeakPolarHBondContact OE2-CA 3.27Å; E346-V379 PolarHBondContact OE1-N 2.92Å; E346-V379 WeakPolarHBondContact OE2-CG2 3.48Å; E346-V379 PolarHBondContact OE2-N 3.48Å; E346-T380 VanDerWaalsContact OE1-CB 3.23Å; E346-T380 WeakPolarHBondContact OE1-CB 3.42Å; E346-T380 VanDerWaalsContact OE1-CG2 3.3Å; E346-T380 WeakPolarHBondContact OE1-CG2 3.49Å; E346-T380 PolarHBondContact OE1-N 3.16Å; E346-T380 PolarHBondContact OE1-OG1 3.24Å
347	K	90	Very high	92.1	Very high	97 Å²	97	60.5 Å²	60.5	42%	0.422	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.7	-177.6	63.9	178.3	-179.2	74.3	0	115.4	Y343 S344	Y343-K347 HydrophobicContact CD2-CB 4.18Å; Y343-K347 HydrophobicContact CE1-CD 4.24Å; Y343-K347 HydrophobicContact CE2-CB 3.87Å; Y343-K347 WeakPolarHBondContact O-CB 3.43Å; Y343-K347 VanDerWaalsContact O-CG 3.25Å; Y343-K347 WeakPolarHBondContact O-CG 3.46Å; Y343-K347 PolarHBondContact O-N 3.12Å; S344-K347 WeakPolarHBondContact O-CE 3.48Å
348	D	86.4	Confident	92	Very high	116 Å²	116	60.2 Å²	60.2	62%	0.62	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.3	-174.9	-60.3	-38.6	0	0	0	112	E346	E346-D348 PolarHBondContact O-N 3Å
349	D	87.4	Confident	91.9	Very high	56 Å²	56	62 Å²	62	30%	0.299	34%	0.342	S	S	.	.			trans	-102.6	116.1	177.3	-166.1	-39.3	0	0	0	111.4	E346 T351 S352 V379 T380	E346-D349 PolarHBondContact O-N 3.07Å; E346-D349 VanDerWaalsContact O-N 3.07Å; D349-T351 PolarHBondContact O-N 3.38Å; D349-T351 VanDerWaalsContact O-N 3.17Å; D349-T351 WeakPolarHBondContact OD1-CB 3.31Å; D349-T351 PolarHBondContact OD1-N 2.72Å; D349-T351 PolarHBondContact OD1-OG1 3.47Å; D349-S352 PolarHBondContact O-N 2.84Å; D349-S352 VanDerWaalsContact O-N 3.16Å; D349-V379 HydrophobicContact CB-CG2 4.28Å; D349-V379 WeakPolarHBondContact OD2-CG2 3.21Å; D349-T380 HydrophobicContact CB-CG2 4.29Å
350	H	78.3	Confident	91.8	Very high	193 Å²	193	62 Å²	62	89%	0.894	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.2	-179.9	-60.5	-46.2	0	0	0	114.8
351	T	84.9	Confident	91.8	Very high	106 Å²	106	64.6 Å²	64.6	65%	0.65	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.7	175.6	66.6	0	0	0	0	113.2	D349	D349-T351 PolarHBondContact O-N 3.38Å; D349-T351 VanDerWaalsContact O-N 3.17Å; D349-T351 WeakPolarHBondContact OD1-CB 3.31Å; D349-T351 PolarHBondContact OD1-N 2.72Å; D349-T351 PolarHBondContact OD1-OG1 3.47Å
352	S	86.9	Confident	91.8	Very high	10 Å²	10	66.4 Å²	66.4	7%	0.07	35%	0.346	C	S	.	.			trans	-82.6	134.9	179.4	-160.9	0	0	0	0	112.1	E346 D349 L354	E346-S352 WeakPolarHBondContact OE2-CB 3.5Å; E346-S352 PolarHBondContact OE2-OG 3.48Å; D349-S352 PolarHBondContact O-N 2.84Å; D349-S352 VanDerWaalsContact O-N 3.16Å; S352-L354 PolarHBondContact O-N 3.41Å
353	S	89.2	Confident	91.8	Very high	50 Å²	50	66.8 Å²	66.8	35%	0.35	35%	0.347	S	S	.	.	S	Bend	trans	-79	-6	171.8	52.8	0	0	0	0	113.4	T355	S353-T355 PolarHBondContact O-N 2.83Å
354	L	91.1	Very high	91.9	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.334	C	S	.	.			trans	-82.2	52.5	-175.9	-64.2	172.4	0	0	0	112.8	I342 E346 S352 S356 I359 W363 P378	I342-L354 HydrophobicContact CG1-CD1 3.81Å; I342-L354 HydrophobicContact CG2-CD1 4.39Å; E346-L354 HydrophobicContact CB-CB 4.09Å; E346-L354 HydrophobicContact CB-CD1 4.31Å; E346-L354 HydrophobicContact CG-CD1 3.92Å; S352-L354 PolarHBondContact O-N 3.41Å; L354-S356 PolarHBondContact O-N 2.83Å; L354-I359 HydrophobicContact CD2-CG2 4.48Å; L354-W363 HydrophobicContact CD2-CB 3.74Å; L354-W363 HydrophobicContact CD2-CD2 4.45Å; L354-W363 HydrophobicContact CD2-CG 3.86Å; L354-P378 HydrophobicContact CD1-CB 4.19Å
355	T	89.4	Confident	92	Very high	95 Å²	95	62.9 Å²	62.9	58%	0.583	33%	0.329	S	S	*	.			trans	-79.9	-12	-169.4	58	0	0	0	0	115.4	S353 I359	S353-T355 PolarHBondContact O-N 2.83Å; T355-I359 WeakPolarHBondContact OG1-CD1 3.21Å
356	S	93.8	Very high	92	Very high	41 Å²	41	60.8 Å²	60.8	29%	0.287	32%	0.316	S	S	.	.	S	Bend	trans	-152.5	153.6	179.5	69.2	0	0	0	0	112.7	L354 I359 C360	L354-S356 PolarHBondContact O-N 2.83Å; S356-I359 WeakPolarHBondContact O-CB 3.39Å; S356-I359 PolarHBondContact O-N 3.2Å; S356-I359 WeakPolarHBondContact OG-CD1 3.31Å; S356-I359 WeakPolarHBondContact OG-CG1 3.47Å; S356-C360 PolarHBondContact O-N 3.36Å; S356-C360 PolarHBondContact O-SG 3.39Å; S356-C360 VanDerWaalsContact O-SG 3.35Å
357	I	95.1	Very high	92.1	Very high	64 Å²	64	61.5 Å²	61.5	33%	0.328	32%	0.321	S	S	.	.	H	α-helix	trans	-55.7	-41	-177.5	-59.5	173.5	0	0	0	112.9	Y343 I359 C360 W361	Y343-I357 HydrophobicContact CD1-CD1 4.39Å; Y343-I357 HydrophobicContact CD1-CG1 3.91Å; Y343-I357 HydrophobicContact CD2-CG1 4.49Å; Y343-I357 HydrophobicContact CE1-CG1 4.28Å; Y343-I357 HydrophobicContact CG-CG1 4.03Å; I357-I359 PolarHBondContact O-N 3.47Å; I357-C360 CarbonylContact O-C 3.38Å; I357-C360 WeakPolarHBondContact O-CA 3.34Å; I357-C360 WeakPolarHBondContact O-CB 3.34Å; I357-C360 PolarHBondContact O-N 2.98Å; I357-C360 VanDerWaalsContact O-N 3.13Å; I357-W361 PolarHBondContact O-N 3.38Å
358	P	95.4	Very high	92.4	Very high	82 Å²	82	56.9 Å²	56.9	53%	0.532	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-34.3	175.7	-24.5	36.3	0	0	0	114.3	C360 W361 W362	P358-C360 VanDerWaalsContact C-N 3.33Å; P358-W361 WeakPolarHBondContact O-CB 3.34Å; P358-W361 PolarHBondContact O-N 3.37Å; P358-W362 PolarHBondContact O-N 2.88Å
359	I	94.8	Very high	92.7	Very high	58 Å²	58	54 Å²	54	30%	0.297	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-40.1	172.2	-62.4	170.1	0	0	0	109.5	L354 T355 S356 I357 W361 W362 W363 T376	L354-I359 HydrophobicContact CD2-CG2 4.48Å; T355-I359 WeakPolarHBondContact OG1-CD1 3.21Å; S356-I359 WeakPolarHBondContact O-CB 3.39Å; S356-I359 PolarHBondContact O-N 3.2Å; S356-I359 WeakPolarHBondContact OG-CD1 3.31Å; S356-I359 WeakPolarHBondContact OG-CG1 3.47Å; I357-I359 PolarHBondContact O-N 3.47Å; I359-W361 VanDerWaalsContact C-N 3.29Å; I359-W361 PolarHBondContact O-N 3.07Å; I359-W362 WeakPolarHBondContact O-CB 3.47Å; I359-W362 PolarHBondContact O-N 2.94Å; I359-W363 PolarHBondContact O-N 3.46Å; I359-T376 HydrophobicContact CG2-CG2 3.93Å
360	C	96.3	Very high	93.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-28.3	173.6	-59.9	0	0	0	0	112.9	S339 I342 S356 I357 P358 A364	S339-C360 WeakPolarHBondContact CB-O 3.24Å; S339-C360 WeakPolarHBondContact O-CB 3.46Å; S339-C360 PolarHBondContact OG-O 3.41Å; I342-C360 HydrophobicContact CG2-CB 3.8Å; S356-C360 PolarHBondContact O-N 3.36Å; S356-C360 PolarHBondContact O-SG 3.39Å; S356-C360 VanDerWaalsContact O-SG 3.35Å; I357-C360 CarbonylContact O-C 3.38Å; I357-C360 WeakPolarHBondContact O-CA 3.34Å; I357-C360 WeakPolarHBondContact O-CB 3.34Å; I357-C360 PolarHBondContact O-N 2.98Å; I357-C360 VanDerWaalsContact O-N 3.13Å; P358-C360 VanDerWaalsContact C-N 3.33Å; C360-A364 VanDerWaalsContact O-CB 3.27Å; C360-A364 WeakPolarHBondContact O-CB 3.35Å; C360-A364 PolarHBondContact O-N 3.4Å
361	W	96.6	Very high	93.9	Very high	126 Å²	126	50.2 Å²	50.2	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-45	171.5	-76.4	-17.6	0	0	0	111.3	I335 S339 I357 P358 I359 A364 T365	I335-W361 HydrophobicContact CG2-CB 4.22Å; I335-W361 HydrophobicContact CG2-CG 4.26Å; S339-W361 VanDerWaalsContact OG-CA 3.26Å; S339-W361 WeakPolarHBondContact OG-CA 3.48Å; S339-W361 PolarHBondContact OG-N 2.93Å; I357-W361 PolarHBondContact O-N 3.38Å; P358-W361 WeakPolarHBondContact O-CB 3.34Å; P358-W361 PolarHBondContact O-N 3.37Å; I359-W361 VanDerWaalsContact C-N 3.29Å; I359-W361 PolarHBondContact O-N 3.07Å; W361-A364 PolarHBondContact O-N 3.47Å; W361-T365 WeakPolarHBondContact O-CB 3.48Å; W361-T365 PolarHBondContact O-N 3.14Å; W361-T365 PolarHBondContact O-OG1 3.28Å
362	W	96.7	Very high	94.4	Very high	116 Å²	116	47.5 Å²	47.5	44%	0.439	27%	0.273	S	S	.	.	H	α-helix	trans	-57.3	-53.1	172.8	170.3	-111.1	0	0	0	110.9	P358 I359 A364 T365 I366 Y373 D375	P358-W362 PolarHBondContact O-N 2.88Å; I359-W362 WeakPolarHBondContact O-CB 3.47Å; I359-W362 PolarHBondContact O-N 2.94Å; W362-A364 PolarHBondContact O-N 3.47Å; W362-T365 WeakPolarHBondContact O-CB 3.3Å; W362-T365 PolarHBondContact O-N 2.88Å; W362-T365 VanDerWaalsContact O-N 3.17Å; W362-I366 HydrophobicContact CD2-CG2 4.08Å; W362-I366 HydrophobicContact CE3-CG2 4.12Å; W362-I366 HydrophobicContact CH2-CG2 4.01Å; W362-I366 HydrophobicContact CZ2-CG2 3.93Å; W362-I366 HydrophobicContact CZ3-CG2 4.09Å; W362-I366 PolarHBondContact O-N 3.09Å; W362-Y373 HydrophobicContact CH2-CD2 4.04Å; W362-Y373 AromaticContact CH2-CE2 3.65Å; W362-Y373 HydrophobicContact CH2-CE2 3.65Å; W362-Y373 AromaticContact CZ2-CD2 3.57Å; W362-Y373 HydrophobicContact CZ2-CD2 3.57Å; W362-Y373 AromaticContact CZ2-CE2 3.68Å; W362-Y373 HydrophobicContact CZ2-CE2 3.68Å; W362-D375 PolarHBondContact NE1-OD2 3.45Å
363	W	96.6	Very high	94.8	Very high	8 Å²	8	54.7 Å²	54.7	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-55.3	-47.5	177.3	174.3	75.6	0	0	0	113.3	I342 L354 I359 T365 I366 S367 T376 P378 A387 C390	I342-W363 HydrophobicContact CB-CE3 4.25Å; I342-W363 HydrophobicContact CB-CH2 4.33Å; I342-W363 HydrophobicContact CB-CZ3 3.78Å; I342-W363 HydrophobicContact CD1-CH2 3.86Å; I342-W363 HydrophobicContact CD1-CZ2 4.46Å; I342-W363 HydrophobicContact CD1-CZ3 4.19Å; I342-W363 HydrophobicContact CG1-CE3 4.23Å; I342-W363 HydrophobicContact CG1-CH2 3.9Å; I342-W363 HydrophobicContact CG1-CZ2 4.47Å; I342-W363 HydrophobicContact CG1-CZ3 3.78Å; I342-W363 HydrophobicContact CG2-CE3 3.73Å; I342-W363 HydrophobicContact CG2-CZ3 3.75Å; L354-W363 HydrophobicContact CD2-CB 3.74Å; L354-W363 HydrophobicContact CD2-CD2 4.45Å; L354-W363 HydrophobicContact CD2-CG 3.86Å; I359-W363 PolarHBondContact O-N 3.46Å; W363-T365 VanDerWaalsContact C-N 3.34Å; W363-I366 VanDerWaalsContact O-CG1 3.27Å; W363-I366 WeakPolarHBondContact O-CG1 3.44Å; W363-S367 PolarHBondContact NE1-OG 2.85Å; W363-S367 VanDerWaalsContact O-CB 3.26Å; W363-S367 WeakPolarHBondContact O-CB 3.34Å; W363-S367 PolarHBondContact O-N 3.23Å; W363-S367 PolarHBondContact O-OG 3.32Å; W363-T376 VanDerWaalsContact CD1-O 3.23Å; W363-P378 HydrophobicContact CZ2-CG 4.18Å; W363-A387 HydrophobicContact CH2-CB 3.79Å; W363-A387 HydrophobicContact CZ2-CB 3.58Å; W363-C390 HydrophobicContact CH2-CB 4.46Å
364	A	96.9	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.2	-35.6	-179.9	0	0	0	0	0	111.6	I335 F338 S339 C360 W361 W362 S367 M368	I335-A364 HydrophobicContact CG2-CB 4.24Å; F338-A364 HydrophobicContact CB-CB 4.42Å; S339-A364 WeakPolarHBondContact OG-CB 3.44Å; C360-A364 VanDerWaalsContact O-CB 3.27Å; C360-A364 WeakPolarHBondContact O-CB 3.35Å; C360-A364 PolarHBondContact O-N 3.4Å; W361-A364 PolarHBondContact O-N 3.47Å; W362-A364 PolarHBondContact O-N 3.47Å; A364-S367 PolarHBondContact O-N 3.35Å; A364-M368 VanDerWaalsContact O-CB 3.31Å; A364-M368 WeakPolarHBondContact O-CB 3.45Å; A364-M368 WeakPolarHBondContact O-CG 3.42Å; A364-M368 PolarHBondContact O-N 3.44Å
365	T	96.4	Very high	95	Very high	50 Å²	50	58.6 Å²	58.6	31%	0.307	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-56.5	174.3	-56.4	0	0	0	0	110.2	I335 W361 W362 W363 S367 M368 T369	I335-T365 HydrophobicContact CD1-CG2 4.3Å; I335-T365 WeakPolarHBondContact CD1-OG1 3.26Å; W361-T365 WeakPolarHBondContact O-CB 3.48Å; W361-T365 PolarHBondContact O-N 3.14Å; W361-T365 PolarHBondContact O-OG1 3.28Å; W362-T365 WeakPolarHBondContact O-CB 3.3Å; W362-T365 PolarHBondContact O-N 2.88Å; W362-T365 VanDerWaalsContact O-N 3.17Å; W363-T365 VanDerWaalsContact C-N 3.34Å; T365-S367 PolarHBondContact O-N 3.39Å; T365-M368 PolarHBondContact O-N 3.3Å; T365-T369 WeakPolarHBondContact O-CG2 3.06Å; T365-T369 PolarHBondContact O-N 3.38Å; T365-T369 PolarHBondContact O-OG1 2.89Å
366	I	96.3	Very high	95.2	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-25.3	-177.9	67.7	176.4	0	0	0	112.9	W362 W363 T370 V371 G372 Y373 D375	W362-I366 HydrophobicContact CD2-CG2 4.08Å; W362-I366 HydrophobicContact CE3-CG2 4.12Å; W362-I366 HydrophobicContact CH2-CG2 4.01Å; W362-I366 HydrophobicContact CZ2-CG2 3.93Å; W362-I366 HydrophobicContact CZ3-CG2 4.09Å; W362-I366 PolarHBondContact O-N 3.09Å; W363-I366 VanDerWaalsContact O-CG1 3.27Å; W363-I366 WeakPolarHBondContact O-CG1 3.44Å; I366-T370 PolarHBondContact O-N 2.85Å; I366-V371 HydrophobicContact CB-CB 4.39Å; I366-V371 PolarHBondContact O-N 3.41Å; I366-G372 PolarHBondContact O-N 2.92Å; I366-Y373 HydrophobicContact CB-CD2 4.42Å; I366-Y373 HydrophobicContact CD1-CD2 4.26Å; I366-Y373 HydrophobicContact CG2-CD2 3.86Å; I366-Y373 HydrophobicContact CG2-CE2 4.02Å; I366-D375 WeakPolarHBondContact CD1-OD1 3.43Å
367	S	96	Very high	95.2	Very high	15 Å²	15	57.6 Å²	57.6	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-78.9	-46.4	176.2	-59	0	0	0	0	112.1	W363 A364 T365 T370	W363-S367 PolarHBondContact NE1-OG 2.85Å; W363-S367 VanDerWaalsContact O-CB 3.26Å; W363-S367 WeakPolarHBondContact O-CB 3.34Å; W363-S367 PolarHBondContact O-N 3.23Å; W363-S367 PolarHBondContact O-OG 3.32Å; A364-S367 PolarHBondContact O-N 3.35Å; T365-S367 PolarHBondContact O-N 3.39Å; S367-T370 PolarHBondContact O-N 2.87Å; S367-T370 VanDerWaalsContact O-N 3.17Å
368	M	95.1	Very high	95.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69.2	-32.8	178.8	-72.9	-171.9	72.6	0	0	112.7	L331 G334 I335 F338 A364 T365 T370 C390 G394	L331-M368 HydrophobicContact CD2-CB 4.45Å; L331-M368 HydrophobicContact CD2-CE 4.13Å; G334-M368 VanDerWaalsContact C-SD 3.53Å; I335-M368 HydrophobicContact CG1-SD 3.93Å; I335-M368 PolarHBondContact N-SD 2.97Å; F338-M368 HydrophobicContact CD2-SD 4.09Å; A364-M368 VanDerWaalsContact O-CB 3.31Å; A364-M368 WeakPolarHBondContact O-CB 3.45Å; A364-M368 WeakPolarHBondContact O-CG 3.42Å; A364-M368 PolarHBondContact O-N 3.44Å; T365-M368 PolarHBondContact O-N 3.3Å; M368-T370 PolarHBondContact O-N 3.45Å; M368-C390 VanDerWaalsContact CG-SG 3.58Å; M368-G394 CarbonylContact O-C 3.55Å
369	T	94.4	Very high	95.1	Very high	55 Å²	55	53 Å²	53	34%	0.337	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.1	173.3	64.2	0	0	0	0	113.4	T365 V371	T365-T369 WeakPolarHBondContact O-CG2 3.06Å; T365-T369 PolarHBondContact O-N 3.38Å; T365-T369 PolarHBondContact O-OG1 2.89Å; T369-V371 PolarHBondContact O-N 3.01Å; T369-V371 WeakPolarHBondContact OG1-CG2 3.35Å
370	T	94.6	Very high	95	Very high	95 Å²	95	51.6 Å²	51.6	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.3	179.7	65.1	0	0	0	0	115.6	I366 S367 M368 I395	I366-T370 PolarHBondContact O-N 2.85Å; S367-T370 PolarHBondContact O-N 2.87Å; S367-T370 VanDerWaalsContact O-N 3.17Å; M368-T370 PolarHBondContact O-N 3.45Å; T370-I395 HydrophobicContact CG2-CD1 4.26Å; T370-I395 HydrophobicContact CG2-CG1 3.66Å
371	V	96.1	Very high	94.9	Very high	76 Å²	76	58.3 Å²	58.3	46%	0.461	32%	0.315	S	S	.	.			trans	-79.9	-47.7	178.7	173.6	0	0	0	0	111.5	I366 T369 Y373	I366-V371 HydrophobicContact CB-CB 4.39Å; I366-V371 PolarHBondContact O-N 3.41Å; T369-V371 PolarHBondContact O-N 3.01Å; T369-V371 WeakPolarHBondContact OG1-CG2 3.35Å; V371-Y373 HydrophobicContact CG1-CD1 4.2Å; V371-Y373 HydrophobicContact CG1-CD2 4.05Å; V371-Y373 HydrophobicContact CG1-CE1 3.84Å; V371-Y373 HydrophobicContact CG1-CE2 3.67Å; V371-Y373 HydrophobicContact CG1-CG 4.3Å
372	G	94.6	Very high	94.8	Very high	49 Å²	49	54.6 Å²	54.6	51%	0.505	31%	0.312	S	S	.	.			trans	54.6	56	168.5	0	0	0	0	0	117	I366 G374	I366-G372 PolarHBondContact O-N 2.92Å; G372-G374 PolarHBondContact O-N 3.38Å; G372-G374 VanDerWaalsContact O-N 3.12Å
373	Y	94.6	Very high	94.8	Very high	161 Å²	161	49.1 Å²	49.1	63%	0.631	29%	0.291	S	S	*	.			trans	-56.4	-26.5	178.2	-66	-62.1	0	0	0	115	W362 I366 V371 D375	W362-Y373 HydrophobicContact CH2-CD2 4.04Å; W362-Y373 AromaticContact CH2-CE2 3.65Å; W362-Y373 HydrophobicContact CH2-CE2 3.65Å; W362-Y373 AromaticContact CZ2-CD2 3.57Å; W362-Y373 HydrophobicContact CZ2-CD2 3.57Å; W362-Y373 AromaticContact CZ2-CE2 3.68Å; W362-Y373 HydrophobicContact CZ2-CE2 3.68Å; I366-Y373 HydrophobicContact CB-CD2 4.42Å; I366-Y373 HydrophobicContact CD1-CD2 4.26Å; I366-Y373 HydrophobicContact CG2-CD2 3.86Å; I366-Y373 HydrophobicContact CG2-CE2 4.02Å; V371-Y373 HydrophobicContact CG1-CD1 4.2Å; V371-Y373 HydrophobicContact CG1-CD2 4.05Å; V371-Y373 HydrophobicContact CG1-CE1 3.84Å; V371-Y373 HydrophobicContact CG1-CE2 3.67Å; V371-Y373 HydrophobicContact CG1-CG 4.3Å; Y373-D375 VanDerWaalsContact C-N 3.29Å; Y373-D375 PolarHBondContact O-N 3.41Å
374	G	92.9	Very high	94.7	Very high	47 Å²	47	53.8 Å²	53.8	49%	0.485	31%	0.311	S	S	.	.	S	Bend	trans	82.6	-2	176.1	0	0	0	0	0	115.6	G372 T376 H377	G372-G374 PolarHBondContact O-N 3.38Å; G372-G374 VanDerWaalsContact O-N 3.12Å; G374-T376 PolarHBondContact O-N 3.32Å; G374-H377 PolarHBondContact O-ND1 3.37Å
375	D	93.1	Very high	94.7	Very high	85 Å²	85	59.2 Å²	59.2	46%	0.455	34%	0.34	S	S	.	.	S	Bend	trans	-58.3	-34	171.9	65.7	-41.7	0	0	0	113	W362 I366 Y373	W362-D375 PolarHBondContact NE1-OD2 3.45Å; I366-D375 WeakPolarHBondContact CD1-OD1 3.43Å; Y373-D375 VanDerWaalsContact C-N 3.29Å; Y373-D375 PolarHBondContact O-N 3.41Å
376	T	92.5	Very high	94.7	Very high	13 Å²	13	58.3 Å²	58.3	8%	0.08	33%	0.333	C	S	.	.	S	Bend	trans	-127.9	137.1	173.7	52.8	0	0	0	0	110	I359 W363 G374	I359-T376 HydrophobicContact CG2-CG2 3.93Å; W363-T376 VanDerWaalsContact CD1-O 3.23Å; G374-T376 PolarHBondContact O-N 3.32Å
377	H	93.6	Very high	94.7	Very high	103 Å²	103	58.5 Å²	58.5	48%	0.477	34%	0.335	S	S	.	.			trans	-160.6	150.4	177.6	58.8	-92.8	0	0	0	110.9	G374	G374-H377 PolarHBondContact O-ND1 3.37Å
378	P	94.4	Very high	94.7	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.071	35%	0.352	C	S	.	.			trans	-74.8	135.9	175.7	28.8	-33.3	0	0	0	111.8	I342 E346 L354 W363 K384 A387	I342-P378 HydrophobicContact CD1-CB 3.89Å; I342-P378 HydrophobicContact CD1-CG 4.16Å; I342-P378 HydrophobicContact CG1-CB 4.25Å; E346-P378 HydrophobicContact CG-CB 4.07Å; E346-P378 VanDerWaalsContact OE1-CB 3.29Å; E346-P378 WeakPolarHBondContact OE1-CB 3.45Å; E346-P378 WeakPolarHBondContact OE2-CA 3.27Å; L354-P378 HydrophobicContact CD1-CB 4.19Å; W363-P378 HydrophobicContact CZ2-CG 4.18Å; P378-K384 HydrophobicContact CG-CG 4.45Å; P378-K384 VanDerWaalsContact O-CE 3.29Å; P378-K384 WeakPolarHBondContact O-CE 3.34Å; P378-A387 HydrophobicContact CG-CB 3.88Å
379	V	93.8	Very high	94.8	Very high	38 Å²	38	64.9 Å²	64.9	23%	0.23	38%	0.376	C	S	.	.			trans	-93.9	-31.6	178.9	-64.7	0	0	0	0	111.8	E346 D349 K384	E346-V379 PolarHBondContact OE1-N 2.92Å; E346-V379 WeakPolarHBondContact OE2-CG2 3.48Å; E346-V379 PolarHBondContact OE2-N 3.48Å; D349-V379 HydrophobicContact CB-CG2 4.28Å; D349-V379 WeakPolarHBondContact OD2-CG2 3.21Å; V379-K384 WeakPolarHBondContact O-CE 3.26Å; V379-K384 PolarHBondContact O-NZ 3Å
380	T	94.4	Very high	94.9	Very high	29 Å²	29	62.2 Å²	62.2	18%	0.178	36%	0.36	C	S	.	.	S	Bend	trans	-74.7	157.7	-175	74.9	0	0	0	0	112.5	V345 E346 D349 G383 K384	V345-T380 WeakPolarHBondContact CG1-OG1 3.33Å; E346-T380 VanDerWaalsContact OE1-CB 3.23Å; E346-T380 WeakPolarHBondContact OE1-CB 3.42Å; E346-T380 VanDerWaalsContact OE1-CG2 3.3Å; E346-T380 WeakPolarHBondContact OE1-CG2 3.49Å; E346-T380 PolarHBondContact OE1-N 3.16Å; E346-T380 PolarHBondContact OE1-OG1 3.24Å; D349-T380 HydrophobicContact CB-CG2 4.29Å; T380-G383 PolarHBondContact O-N 2.69Å; T380-G383 PolarHBondContact OG1-N 2.95Å; T380-K384 WeakPolarHBondContact O-CD 3.49Å; T380-K384 WeakPolarHBondContact O-CG 3.42Å; T380-K384 PolarHBondContact O-N 3.48Å
381	L	93.8	Very high	95	Very high	141 Å²	141	61.1 Å²	61.1	74%	0.738	35%	0.35	S	S	*	.	H	α-helix	trans	-62.7	-43.6	175.8	-179.8	62.4	0	0	0	111.9	K384 L385	L381-K384 PolarHBondContact O-N 3.27Å; L381-L385 WeakPolarHBondContact O-CG 3.43Å; L381-L385 PolarHBondContact O-N 3.14Å; L381-L385 VanDerWaalsContact O-N 3.16Å
382	A	94.7	Very high	95	Very high	48 Å²	48	62.6 Å²	62.6	40%	0.397	35%	0.354	S	S	.	.	H	α-helix	trans	-68.8	-38.3	179.3	0	0	0	0	0	111.7	V345 K384 L385 I386	V345-A382 HydrophobicContact CG1-CB 3.6Å; A382-K384 VanDerWaalsContact C-N 3.34Å; A382-K384 PolarHBondContact O-N 3.08Å; A382-L385 PolarHBondContact O-N 2.86Å; A382-I386 WeakPolarHBondContact O-CG1 3.41Å; A382-I386 PolarHBondContact O-N 3.16Å
383	G	95.3	Very high	95	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-40.7	173.1	0	0	0	0	0	112.6	I342 T380 L385 I386 A387	I342-G383 VanDerWaalsContact CD1-O 3.26Å; I342-G383 WeakPolarHBondContact CD1-O 3.43Å; T380-G383 PolarHBondContact O-N 2.69Å; T380-G383 PolarHBondContact OG1-N 2.95Å; G383-L385 PolarHBondContact O-N 3.46Å; G383-I386 PolarHBondContact O-N 2.99Å; G383-A387 WeakPolarHBondContact O-CB 3.41Å; G383-A387 PolarHBondContact O-N 3.44Å
384	K	95.7	Very high	95	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-34.6	174.2	-74.3	163.5	178.8	157.9	0	113.5	P378 V379 T380 L381 A382 S388	P378-K384 HydrophobicContact CG-CG 4.45Å; P378-K384 VanDerWaalsContact O-CE 3.29Å; P378-K384 WeakPolarHBondContact O-CE 3.34Å; V379-K384 WeakPolarHBondContact O-CE 3.26Å; V379-K384 PolarHBondContact O-NZ 3Å; T380-K384 WeakPolarHBondContact O-CD 3.49Å; T380-K384 WeakPolarHBondContact O-CG 3.42Å; T380-K384 PolarHBondContact O-N 3.48Å; L381-K384 PolarHBondContact O-N 3.27Å; A382-K384 VanDerWaalsContact C-N 3.34Å; A382-K384 PolarHBondContact O-N 3.08Å; K384-S388 WeakPolarHBondContact O-CB 3.43Å; K384-S388 PolarHBondContact O-N 3.34Å; K384-S388 PolarHBondContact O-OG 3.15Å
385	L	97.1	Very high	95	Very high	113 Å²	113	56.7 Å²	56.7	59%	0.592	31%	0.313	S	S	*	.	H	α-helix	trans	-69	-43.3	172.9	-67.8	174	0	0	0	112	L381 A382 G383 A387 S388 T389	L381-L385 WeakPolarHBondContact O-CG 3.43Å; L381-L385 PolarHBondContact O-N 3.14Å; L381-L385 VanDerWaalsContact O-N 3.16Å; A382-L385 PolarHBondContact O-N 2.86Å; G383-L385 PolarHBondContact O-N 3.46Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-S388 PolarHBondContact O-N 3.27Å; L385-T389 PolarHBondContact O-N 3.44Å; L385-T389 VanDerWaalsContact O-N 3.09Å; L385-T389 PolarHBondContact O-OG1 3.41Å
386	I	96.7	Very high	95	Very high	32 Å²	32	57.9 Å²	57.9	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-43.5	174.7	-67.7	164.6	0	0	0	110.3	F338 L341 I342 V345 A382 G383 T389 C390	F338-I386 HydrophobicContact CD1-CG2 4.14Å; L341-I386 HydrophobicContact CB-CD1 4.37Å; L341-I386 HydrophobicContact CB-CG2 4.02Å; I342-I386 HydrophobicContact CD1-CB 3.96Å; I342-I386 HydrophobicContact CD1-CG2 3.88Å; V345-I386 HydrophobicContact CB-CD1 4.36Å; V345-I386 HydrophobicContact CG2-CD1 3.72Å; A382-I386 WeakPolarHBondContact O-CG1 3.41Å; A382-I386 PolarHBondContact O-N 3.16Å; G383-I386 PolarHBondContact O-N 2.99Å; I386-T389 PolarHBondContact O-N 3.46Å; I386-C390 WeakPolarHBondContact O-CB 3.49Å; I386-C390 PolarHBondContact O-N 3.47Å
387	A	95.8	Very high	94.9	Very high	11 Å²	11	58.7 Å²	58.7	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-42	176.2	0	0	0	0	0	113.2	W363 P378 G383 L385 T389 C390 I391	W363-A387 HydrophobicContact CH2-CB 3.79Å; W363-A387 HydrophobicContact CZ2-CB 3.58Å; P378-A387 HydrophobicContact CG-CB 3.88Å; G383-A387 WeakPolarHBondContact O-CB 3.41Å; G383-A387 PolarHBondContact O-N 3.44Å; L385-A387 VanDerWaalsContact C-N 3.34Å; A387-T389 VanDerWaalsContact C-N 3.28Å; A387-T389 PolarHBondContact O-N 3.34Å; A387-C390 WeakPolarHBondContact O-CB 3.19Å; A387-C390 PolarHBondContact O-N 3.4Å; A387-I391 VanDerWaalsContact O-CG1 3.32Å; A387-I391 WeakPolarHBondContact O-CG1 3.27Å; A387-I391 PolarHBondContact O-N 3.36Å
388	S	96.3	Very high	94.8	Very high	64 Å²	64	55.3 Å²	55.3	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-42.8	175	-57.6	0	0	0	0	111.2	K384 L385 I392	K384-S388 WeakPolarHBondContact O-CB 3.43Å; K384-S388 PolarHBondContact O-N 3.34Å; K384-S388 PolarHBondContact O-OG 3.15Å; L385-S388 PolarHBondContact O-N 3.27Å; S388-I392 WeakPolarHBondContact O-CD1 3.32Å; S388-I392 VanDerWaalsContact O-CG1 3.31Å; S388-I392 WeakPolarHBondContact O-CG1 3.25Å; S388-I392 PolarHBondContact O-N 3.42Å
389	T	96.3	Very high	94.6	Very high	84 Å²	84	57 Å²	57	52%	0.515	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-40.5	175.4	-51.3	0	0	0	0	112	F338 L385 I386 A387 I392 C393	F338-T389 HydrophobicContact CE1-CG2 4.26Å; F338-T389 HydrophobicContact CZ-CG2 4.38Å; L385-T389 PolarHBondContact O-N 3.44Å; L385-T389 VanDerWaalsContact O-N 3.09Å; L385-T389 PolarHBondContact O-OG1 3.41Å; I386-T389 PolarHBondContact O-N 3.46Å; A387-T389 VanDerWaalsContact C-N 3.28Å; A387-T389 PolarHBondContact O-N 3.34Å; T389-I392 PolarHBondContact O-N 3.24Å; T389-C393 VanDerWaalsContact O-CB 3.24Å; T389-C393 WeakPolarHBondContact O-CB 3.34Å; T389-C393 PolarHBondContact O-N 2.73Å
390	C	96.8	Very high	94	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.7	-47.7	177.3	-178.2	0	0	0	0	112	F338 W363 M368 I386 A387 C393 G394	F338-C390 HydrophobicContact CB-CB 4.28Å; F338-C390 HydrophobicContact CD1-CB 3.64Å; F338-C390 HydrophobicContact CD2-CB 4.03Å; F338-C390 HydrophobicContact CE1-CB 3.92Å; F338-C390 HydrophobicContact CE2-CB 4.3Å; F338-C390 HydrophobicContact CG-CB 3.72Å; F338-C390 VanDerWaalsContact CG-SG 3.58Å; F338-C390 HydrophobicContact CZ-CB 4.25Å; W363-C390 HydrophobicContact CH2-CB 4.46Å; M368-C390 VanDerWaalsContact CG-SG 3.58Å; I386-C390 WeakPolarHBondContact O-CB 3.49Å; I386-C390 PolarHBondContact O-N 3.47Å; A387-C390 WeakPolarHBondContact O-CB 3.19Å; A387-C390 PolarHBondContact O-N 3.4Å; C390-C393 PolarHBondContact O-N 2.82Å; C390-G394 PolarHBondContact O-N 2.87Å
391	I	96.4	Very high	93.5	Very high	71 Å²	71	60.2 Å²	60.2	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-64.3	-46.7	-179.9	-66.6	162.3	0	0	0	110.7	A387 C393 G394 I395	A387-I391 VanDerWaalsContact O-CG1 3.32Å; A387-I391 WeakPolarHBondContact O-CG1 3.27Å; A387-I391 PolarHBondContact O-N 3.36Å; I391-C393 VanDerWaalsContact C-N 3.33Å; I391-C393 PolarHBondContact O-N 2.95Å; I391-G394 PolarHBondContact O-N 3.12Å; I391-I395 HydrophobicContact CG2-CD1 3.97Å; I391-I395 WeakPolarHBondContact O-CG1 3.33Å; I391-I395 PolarHBondContact O-N 2.94Å
392	I	95.8	Very high	93.3	Very high	107 Å²	107	57.7 Å²	57.7	55%	0.549	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-44.1	177.2	-66.1	167	0	0	0	110.6	S388 T389 L396	S388-I392 WeakPolarHBondContact O-CD1 3.32Å; S388-I392 VanDerWaalsContact O-CG1 3.31Å; S388-I392 WeakPolarHBondContact O-CG1 3.25Å; S388-I392 PolarHBondContact O-N 3.42Å; T389-I392 PolarHBondContact O-N 3.24Å; I392-L396 HydrophobicContact CG2-CD1 4.22Å; I392-L396 WeakPolarHBondContact O-CG 3.21Å; I392-L396 PolarHBondContact O-N 3.39Å
393	C	94.8	Very high	92.9	Very high	43 Å²	43	59.1 Å²	59.1	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-43.9	177.1	-174.9	0	0	0	0	112	F338 T389 C390 I391 L396 V397	F338-C393 HydrophobicContact CE2-CB 3.87Å; F338-C393 HydrophobicContact CZ-CB 3.9Å; T389-C393 VanDerWaalsContact O-CB 3.24Å; T389-C393 WeakPolarHBondContact O-CB 3.34Å; T389-C393 PolarHBondContact O-N 2.73Å; C390-C393 PolarHBondContact O-N 2.82Å; I391-C393 VanDerWaalsContact C-N 3.33Å; I391-C393 PolarHBondContact O-N 2.95Å; C393-L396 PolarHBondContact O-N 2.94Å; C393-V397 WeakPolarHBondContact O-CB 3.48Å; C393-V397 WeakPolarHBondContact O-CG2 3.4Å; C393-V397 PolarHBondContact O-N 2.68Å
394	G	94.6	Very high	92.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-48.6	176.7	0	0	0	0	0	112.7	M368 C390 I391 L396 V397 V398	M368-G394 CarbonylContact O-C 3.55Å; C390-G394 PolarHBondContact O-N 2.87Å; I391-G394 PolarHBondContact O-N 3.12Å; G394-L396 VanDerWaalsContact C-N 3.32Å; G394-L396 PolarHBondContact O-N 3.28Å; G394-V397 PolarHBondContact O-N 3.49Å; G394-V398 WeakPolarHBondContact O-CB 3.35Å; G394-V398 VanDerWaalsContact O-CG2 3.25Å; G394-V398 WeakPolarHBondContact O-CG2 3.39Å; G394-V398 PolarHBondContact O-N 2.78Å
395	I	94	Very high	91.8	Very high	90 Å²	90	58.8 Å²	58.8	46%	0.462	33%	0.332	S	S	.	.	H	α-helix	trans	-56.1	-46	176.3	-68.6	165.1	0	0	0	111.1	T370 I391 A399	T370-I395 HydrophobicContact CG2-CD1 4.26Å; T370-I395 HydrophobicContact CG2-CG1 3.66Å; I391-I395 HydrophobicContact CG2-CD1 3.97Å; I391-I395 WeakPolarHBondContact O-CG1 3.33Å; I391-I395 PolarHBondContact O-N 2.94Å; I395-A399 WeakPolarHBondContact O-CB 3.46Å; I395-A399 PolarHBondContact O-N 2.68Å
396	L	91.9	Very high	91.3	Very high	110 Å²	110	59.4 Å²	59.4	58%	0.576	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-43.5	179.5	-68	170.4	0	0	0	112.7	I392 C393 G394 V398	I392-L396 HydrophobicContact CG2-CD1 4.22Å; I392-L396 WeakPolarHBondContact O-CG 3.21Å; I392-L396 PolarHBondContact O-N 3.39Å; C393-L396 PolarHBondContact O-N 2.94Å; G394-L396 VanDerWaalsContact C-N 3.32Å; G394-L396 PolarHBondContact O-N 3.28Å; L396-V398 VanDerWaalsContact C-N 3.35Å
397	V	91.3	Very high	90.7	Very high	30 Å²	30	63 Å²	63	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-37.7	178.7	167.7	0	0	0	0	111.7	F330 L331 C393 G394 P401	F330-V397 HydrophobicContact CB-CG1 3.7Å; L331-V397 HydrophobicContact CD2-CG1 4.11Å; L331-V397 HydrophobicContact CG-CG1 4.19Å; C393-V397 WeakPolarHBondContact O-CB 3.48Å; C393-V397 WeakPolarHBondContact O-CG2 3.4Å; C393-V397 PolarHBondContact O-N 2.68Å; G394-V397 PolarHBondContact O-N 3.49Å; V397-P401 WeakPolarHBondContact O-CD 3.27Å
398	V	91.3	Very high	89.8	Confident	33 Å²	33	66 Å²	66	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-79.6	-39.6	-177.8	171.7	0	0	0	0	112	L331 G394 L396 L400 I402	L331-V398 HydrophobicContact CD2-CG2 3.84Å; G394-V398 WeakPolarHBondContact O-CB 3.35Å; G394-V398 VanDerWaalsContact O-CG2 3.25Å; G394-V398 WeakPolarHBondContact O-CG2 3.39Å; G394-V398 PolarHBondContact O-N 2.78Å; L396-V398 VanDerWaalsContact C-N 3.35Å; V398-L400 PolarHBondContact O-N 3.34Å; V398-I402 HydrophobicContact CG1-CD1 3.44Å; V398-I402 VanDerWaalsContact CG1-CD1 3.44Å; V398-I402 HydrophobicContact CG1-CG1 4.29Å; V398-I402 WeakPolarHBondContact O-CB 3.38Å; V398-I402 VanDerWaalsContact O-CG1 3.3Å; V398-I402 WeakPolarHBondContact O-CG1 3.49Å; V398-I402 PolarHBondContact O-N 2.89Å
399	A	89.7	Confident	89.1	Confident	47 Å²	47	65.6 Å²	65.6	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-45.8	-174.2	0	0	0	0	0	113.4	I395 T403	I395-A399 WeakPolarHBondContact O-CB 3.46Å; I395-A399 PolarHBondContact O-N 2.68Å; A399-T403 WeakPolarHBondContact O-CG2 3.42Å; A399-T403 PolarHBondContact O-N 2.9Å
400	L	81.3	Confident	88.4	Confident	121 Å²	121	63.6 Å²	63.6	63%	0.634	34%	0.341	S	S	*	.	H	α-helix	trans	-63.4	-54.2	-172.4	-59.7	172.1	0	0	0	112.2	V398 I402 T403 I404	V398-L400 PolarHBondContact O-N 3.34Å; L400-I402 PolarHBondContact O-N 2.95Å; L400-T403 PolarHBondContact O-N 3.43Å; L400-T403 PolarHBondContact O-OG1 3.44Å; L400-I404 PolarHBondContact O-N 2.82Å
401	P	84.8	Confident	87.4	Confident	12 Å²	12	68.1 Å²	68.1	8%	0.078	36%	0.36	C	S	.	.	H	α-helix	trans	-70.1	-30.9	-178	-20.2	36.6	0	0	0	112.9	L327 V397 T403 I404 I405	L327-P401 HydrophobicContact CB-CB 3.82Å; L327-P401 HydrophobicContact CB-CG 3.98Å; L327-P401 HydrophobicContact CD1-CB 4.15Å; L327-P401 HydrophobicContact CD1-CG 3.86Å; L327-P401 HydrophobicContact CD2-CB 4.26Å; L327-P401 HydrophobicContact CG-CB 4.28Å; L327-P401 HydrophobicContact CG-CG 4.41Å; V397-P401 WeakPolarHBondContact O-CD 3.27Å; P401-T403 VanDerWaalsContact C-N 3.34Å; P401-T403 PolarHBondContact O-N 3.31Å; P401-I404 PolarHBondContact O-N 2.94Å; P401-I405 HydrophobicContact CB-CD1 4.47Å; P401-I405 WeakPolarHBondContact O-CB 3.39Å; P401-I405 WeakPolarHBondContact O-CD1 3.33Å; P401-I405 WeakPolarHBondContact O-CG1 3.49Å; P401-I405 PolarHBondContact O-N 3.4Å
402	I	88.3	Confident	86.3	Confident	88 Å²	88	67.5 Å²	67.5	45%	0.451	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-43.5	175.6	-74.6	-175.9	0	0	0	111.1	V398 L400 I404 I405 F406	V398-I402 HydrophobicContact CG1-CD1 3.44Å; V398-I402 VanDerWaalsContact CG1-CD1 3.44Å; V398-I402 HydrophobicContact CG1-CG1 4.29Å; V398-I402 WeakPolarHBondContact O-CB 3.38Å; V398-I402 VanDerWaalsContact O-CG1 3.3Å; V398-I402 WeakPolarHBondContact O-CG1 3.49Å; V398-I402 PolarHBondContact O-N 2.89Å; L400-I402 PolarHBondContact O-N 2.95Å; I402-I404 PolarHBondContact O-N 3.49Å; I402-I405 PolarHBondContact O-N 3.29Å; I402-F406 VanDerWaalsContact O-CB 3.26Å; I402-F406 WeakPolarHBondContact O-CB 3.31Å; I402-F406 PolarHBondContact O-N 3.26Å
403	T	87.5	Confident	85.4	Confident	78 Å²	78	67.3 Å²	67.3	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-39.4	177.8	60.8	0	0	0	0	112.5	A399 L400 P401 F406 N407	A399-T403 WeakPolarHBondContact O-CG2 3.42Å; A399-T403 PolarHBondContact O-N 2.9Å; L400-T403 PolarHBondContact O-N 3.43Å; L400-T403 PolarHBondContact O-OG1 3.44Å; P401-T403 VanDerWaalsContact C-N 3.34Å; P401-T403 PolarHBondContact O-N 3.31Å; T403-F406 PolarHBondContact O-N 2.91Å; T403-N407 WeakPolarHBondContact O-CB 3.26Å; T403-N407 VanDerWaalsContact O-CG 3.26Å; T403-N407 PolarHBondContact O-N 2.92Å; T403-N407 PolarHBondContact O-ND2 3Å
404	I	82.5	Confident	84.5	Confident	71 Å²	71	70.6 Å²	70.6	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-45.7	176.5	-62.8	169.5	0	0	0	110.8	E323 L400 P401 I402 N407 K408	E323-I404 HydrophobicContact CG-CG2 4.16Å; L400-I404 PolarHBondContact O-N 2.82Å; P401-I404 PolarHBondContact O-N 2.94Å; I402-I404 PolarHBondContact O-N 3.49Å; I404-N407 PolarHBondContact O-N 3.37Å; I404-K408 WeakPolarHBondContact O-CG 3.34Å; I404-K408 PolarHBondContact O-N 2.76Å; I404-K408 VanDerWaalsContact O-N 3.07Å
405	I	85.1	Confident	83.4	Confident	30 Å²	30	72.4 Å²	72.4	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-41.4	177.5	-66.7	160.7	0	0	0	110.6	E323 V324 L327 P401 I402 K408 F409	E323-I405 HydrophobicContact CB-CG1 4.47Å; V324-I405 HydrophobicContact CG2-CD1 3.71Å; V324-I405 HydrophobicContact CG2-CG1 4.2Å; L327-I405 HydrophobicContact CD2-CD1 4.42Å; P401-I405 HydrophobicContact CB-CD1 4.47Å; P401-I405 WeakPolarHBondContact O-CB 3.39Å; P401-I405 WeakPolarHBondContact O-CD1 3.33Å; P401-I405 WeakPolarHBondContact O-CG1 3.49Å; P401-I405 PolarHBondContact O-N 3.4Å; I402-I405 PolarHBondContact O-N 3.29Å; I405-K408 PolarHBondContact O-N 2.84Å; I405-F409 WeakPolarHBondContact O-CB 3.41Å; I405-F409 PolarHBondContact O-N 3.46Å
406	F	86.4	Confident	82.3	Confident	126 Å²	126	69.8 Å²	69.8	55%	0.553	35%	0.352	S	S	*	.	H	α-helix	trans	-64.1	-44	177.4	177.9	-96.7	0	0	0	112.3	I402 T403 K408 F409 S410	I402-F406 VanDerWaalsContact O-CB 3.26Å; I402-F406 WeakPolarHBondContact O-CB 3.31Å; I402-F406 PolarHBondContact O-N 3.26Å; T403-F406 PolarHBondContact O-N 2.91Å; F406-K408 VanDerWaalsContact C-N 3.34Å; F406-K408 PolarHBondContact O-N 2.94Å; F406-F409 WeakPolarHBondContact O-CB 3.44Å; F406-F409 PolarHBondContact O-N 2.98Å; F406-S410 WeakPolarHBondContact O-CB 3.45Å; F406-S410 PolarHBondContact O-N 2.88Å
407	N	83.4	Confident	81.5	Confident	107 Å²	107	70 Å²	70	57%	0.572	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-42	176.7	-71.8	-14.2	0	0	0	111.3	T403 I404 S410 K411	T403-N407 WeakPolarHBondContact O-CB 3.26Å; T403-N407 VanDerWaalsContact O-CG 3.26Å; T403-N407 PolarHBondContact O-N 2.92Å; T403-N407 PolarHBondContact O-ND2 3Å; I404-N407 PolarHBondContact O-N 3.37Å; N407-S410 PolarHBondContact O-N 3.47Å; N407-K411 PolarHBondContact O-N 3.21Å
408	K	78.3	Confident	80.5	Confident	75 Å²	75	72.8 Å²	72.8	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-45.2	172.1	-71	-178.2	179.3	-176.8	0	111.5	T316 I404 I405 F406 S410 K411 Y412	T316-K408 HydrophobicContact CG2-CB 4.07Å; I404-K408 WeakPolarHBondContact O-CG 3.34Å; I404-K408 PolarHBondContact O-N 2.76Å; I404-K408 VanDerWaalsContact O-N 3.07Å; I405-K408 PolarHBondContact O-N 2.84Å; F406-K408 VanDerWaalsContact C-N 3.34Å; F406-K408 PolarHBondContact O-N 2.94Å; K408-S410 PolarHBondContact O-N 3Å; K408-K411 PolarHBondContact O-N 3.47Å; K408-Y412 VanDerWaalsContact O-CD2 3.24Å; K408-Y412 WeakPolarHBondContact O-CD2 3.27Å; K408-Y412 PolarHBondContact O-N 3.26Å
409	F	79.9	Confident	79.3	Confident	54 Å²	54	72.7 Å²	72.7	24%	0.237	36%	0.36	C	S	.	.	H	α-helix	trans	-59.1	-46.9	176.8	175.2	-102.3	0	0	0	112.3	L313 T316 I405 F406 K411 Y412 Y413	L313-F409 HydrophobicContact CB-CE2 4.14Å; L313-F409 HydrophobicContact CD1-CD2 4.32Å; L313-F409 HydrophobicContact CD1-CE2 4.49Å; T316-F409 HydrophobicContact CG2-CB 4Å; T316-F409 WeakPolarHBondContact OG1-CA 3.28Å; I405-F409 WeakPolarHBondContact O-CB 3.41Å; I405-F409 PolarHBondContact O-N 3.46Å; F406-F409 WeakPolarHBondContact O-CB 3.44Å; F406-F409 PolarHBondContact O-N 2.98Å; F409-K411 VanDerWaalsContact C-N 3.3Å; F409-K411 PolarHBondContact O-N 3.17Å; F409-Y412 PolarHBondContact O-N 3.4Å; F409-Y413 HydrophobicContact CZ-CD2 4.2Å; F409-Y413 HydrophobicContact CZ-CG 4.42Å; F409-Y413 WeakPolarHBondContact O-CB 3.48Å; F409-Y413 PolarHBondContact O-N 3.45Å
410	S	82.7	Confident	78.2	Confident	42 Å²	42	72.3 Å²	72.3	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-56.6	-45.4	178.1	-171.7	0	0	0	0	111.3	F406 N407 K408 Y413 Q414	F406-S410 WeakPolarHBondContact O-CB 3.45Å; F406-S410 PolarHBondContact O-N 2.88Å; N407-S410 PolarHBondContact O-N 3.47Å; K408-S410 PolarHBondContact O-N 3Å; S410-Y413 PolarHBondContact O-N 3.06Å; S410-Q414 WeakPolarHBondContact O-CG 3.47Å; S410-Q414 PolarHBondContact O-N 3.26Å
411	K	75.6	Confident	77.6	Confident	96 Å²	96	70 Å²	70	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-48.3	176.9	-172.7	177.9	177.1	-175.3	0	112.9	D134 N407 K408 F409 Y413 Q414 K415	D134-K411 IonicContact OD1-NZ 3.95Å; D134-K411 PolarHBondContact OD1-NZ 2.99Å; D134-K411 IonicContact OD2-NZ 3.21Å; D134-K411 PolarHBondContact OD2-NZ 2.99Å; N407-K411 PolarHBondContact O-N 3.21Å; K408-K411 PolarHBondContact O-N 3.47Å; F409-K411 VanDerWaalsContact C-N 3.3Å; F409-K411 PolarHBondContact O-N 3.17Å; K411-Y413 VanDerWaalsContact C-N 3.33Å; K411-Y413 PolarHBondContact O-N 3.17Å; K411-Q414 PolarHBondContact O-N 3.38Å; K411-K415 WeakPolarHBondContact O-CB 3.36Å; K411-K415 PolarHBondContact O-N 3.13Å
412	Y	73	Confident	76.5	Confident	58 Å²	58	74.2 Å²	74.2	23%	0.227	36%	0.364	C	S	.	.	H	α-helix	trans	-65.9	-34.6	176.7	-80.5	-70	0	0	0	112.6	H319 K408 F409 Q416	H319-Y412 HydrophobicContact CB-CE2 4.04Å; H319-Y412 AromaticContact CD2-CZ 3.9Å; H319-Y412 AromaticContact CG-CZ 3.91Å; H319-Y412 VanDerWaalsContact CG-OH 3.29Å; K408-Y412 VanDerWaalsContact O-CD2 3.24Å; K408-Y412 WeakPolarHBondContact O-CD2 3.27Å; K408-Y412 PolarHBondContact O-N 3.26Å; F409-Y412 PolarHBondContact O-N 3.4Å; Y412-Q416 WeakPolarHBondContact O-CB 3.35Å; Y412-Q416 PolarHBondContact O-N 2.85Å
413	Y	77.4	Confident	75.1	Confident	102 Å²	102	73.5 Å²	73.5	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-67.6	-42.5	177	179.5	-100.7	0	0	0	112.3	S312 F409 S410 K411 K417	S312-Y413 WeakPolarHBondContact OG-CA 3.21Å; S312-Y413 PolarHBondContact OG-N 2.86Å; S312-Y413 VanDerWaalsContact OG-N 3.16Å; F409-Y413 HydrophobicContact CZ-CD2 4.2Å; F409-Y413 HydrophobicContact CZ-CG 4.42Å; F409-Y413 WeakPolarHBondContact O-CB 3.48Å; F409-Y413 PolarHBondContact O-N 3.45Å; S410-Y413 PolarHBondContact O-N 3.06Å; K411-Y413 VanDerWaalsContact C-N 3.33Å; K411-Y413 PolarHBondContact O-N 3.17Å; Y413-K417 WeakPolarHBondContact O-CB 3.38Å; Y413-K417 PolarHBondContact O-N 3.44Å; Y413-K417 VanDerWaalsContact O-N 3.08Å
414	Q	76.5	Confident	73.6	Confident	113 Å²	113	72.9 Å²	72.9	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-55.1	172.3	-71.8	175.4	7	0	0	110.6	S410 K411 Q416 K417 D418	S410-Q414 WeakPolarHBondContact O-CG 3.47Å; S410-Q414 PolarHBondContact O-N 3.26Å; K411-Q414 PolarHBondContact O-N 3.38Å; Q414-Q416 VanDerWaalsContact C-N 3.31Å; Q414-Q416 PolarHBondContact O-N 3.24Å; Q414-K417 WeakPolarHBondContact O-CA 3.16Å; Q414-K417 WeakPolarHBondContact O-CB 3.32Å; Q414-K417 PolarHBondContact O-N 3Å; Q414-D418 VanDerWaalsContact O-CG 3.24Å; Q414-D418 PolarHBondContact O-N 2.98Å
415	K	71.1	Confident	72.2	Confident	38 Å²	38	73.2 Å²	73.2	17%	0.165	37%	0.366	C	S	.	.	H	α-helix	trans	-53	-44	178.4	179.8	173.9	173.3	169.3	0	113.2	H138 S141 K411 D418 I419	H138-K415 PolarHBondContact CD2-NZ 2.9Å; H138-K415 PolarHBondContact CE1-NZ 3.17Å; H138-K415 WeakPolarHBondContact NE2-CD 3.22Å; H138-K415 VanDerWaalsContact NE2-CE 3.29Å; H138-K415 WeakPolarHBondContact NE2-CE 3.24Å; H138-K415 PolarHBondContact NE2-NZ 3.25Å; S141-K415 PolarHBondContact O-NZ 2.82Å; S141-K415 PolarHBondContact OG-NZ 3.34Å; K411-K415 WeakPolarHBondContact O-CB 3.36Å; K411-K415 PolarHBondContact O-N 3.13Å; K415-D418 PolarHBondContact O-N 2.73Å; K415-I419 HydrophobicContact CG-CD1 4.11Å; K415-I419 WeakPolarHBondContact O-CD1 3.35Å; K415-I419 VanDerWaalsContact O-CG1 3.29Å; K415-I419 WeakPolarHBondContact O-CG1 3.26Å; K415-I419 PolarHBondContact O-N 3.01Å; K415-I419 VanDerWaalsContact O-N 3.12Å
416	Q	69.8	Low	70.7	Confident	34 Å²	34	79.2 Å²	79.2	16%	0.159	39%	0.393	C	S	.	.	H	α-helix	trans	-67.7	-37.9	178.6	-171.1	67	65.3	0	0	112.4	V308 Y412 Q414 D418 D420	V308-Q416 HydrophobicContact CG1-CB 4.19Å; V308-Q416 HydrophobicContact CG1-CG 3.54Å; Y412-Q416 WeakPolarHBondContact O-CB 3.35Å; Y412-Q416 PolarHBondContact O-N 2.85Å; Q414-Q416 VanDerWaalsContact C-N 3.31Å; Q414-Q416 PolarHBondContact O-N 3.24Å; Q416-D418 VanDerWaalsContact C-N 3.35Å; Q416-D420 VanDerWaalsContact O-CG 3.31Å; Q416-D420 PolarHBondContact O-N 3.27Å
417	K	75	Confident	68.9	Low	116 Å²	116	76.5 Å²	76.5	50%	0.504	38%	0.384	S	S	.	.	H	α-helix	trans	-65.5	-39.7	176.7	-176.3	-168.8	172.7	-160.8	0	111.3	Y413 Q414 D420 V421	Y413-K417 WeakPolarHBondContact O-CB 3.38Å; Y413-K417 PolarHBondContact O-N 3.44Å; Y413-K417 VanDerWaalsContact O-N 3.08Å; Q414-K417 WeakPolarHBondContact O-CA 3.16Å; Q414-K417 WeakPolarHBondContact O-CB 3.32Å; Q414-K417 PolarHBondContact O-N 3Å; K417-D420 PolarHBondContact O-N 3.35Å; K417-V421 WeakPolarHBondContact O-CG2 3.25Å; K417-V421 PolarHBondContact O-N 3.35Å; K417-V421 VanDerWaalsContact O-N 3.13Å
418	D	71.1	Confident	67.1	Low	87 Å²	87	77.4 Å²	77.4	47%	0.465	39%	0.394	S	S	.	.	H	α-helix	trans	-67.6	-42.3	179.3	-58.3	-27.5	0	0	0	110.5	Q414 K415 Q416 D420 V421 D422	Q414-D418 VanDerWaalsContact O-CG 3.24Å; Q414-D418 PolarHBondContact O-N 2.98Å; K415-D418 PolarHBondContact O-N 2.73Å; Q416-D418 VanDerWaalsContact C-N 3.35Å; D418-D420 PolarHBondContact O-N 2.67Å; D418-V421 WeakPolarHBondContact O-CA 3.47Å; D418-V421 WeakPolarHBondContact O-CB 3.31Å; D418-V421 PolarHBondContact O-N 2.88Å; D418-D422 PolarHBondContact O-N 3.25Å
419	I	66.6	Low	65.6	Low	31 Å²	31	79.3 Å²	79.3	16%	0.159	41%	0.413	C	S	.	.	H	α-helix	trans	-57.8	-45.5	171.6	-67.4	163.6	0	0	0	111.9	K415 V421 D422 Q423	K415-I419 HydrophobicContact CG-CD1 4.11Å; K415-I419 WeakPolarHBondContact O-CD1 3.35Å; K415-I419 VanDerWaalsContact O-CG1 3.29Å; K415-I419 WeakPolarHBondContact O-CG1 3.26Å; K415-I419 PolarHBondContact O-N 3.01Å; K415-I419 VanDerWaalsContact O-N 3.12Å; I419-V421 PolarHBondContact O-N 3.35Å; I419-D422 PolarHBondContact O-N 2.82Å; I419-Q423 WeakPolarHBondContact O-CG 3.14Å; I419-Q423 PolarHBondContact O-N 3.35Å; I419-Q423 VanDerWaalsContact O-N 3.12Å
420	D	66.5	Low	63.6	Low	39 Å²	39	85.6 Å²	85.6	21%	0.209	44%	0.444	C	S	.	.	H	α-helix	trans	-64.9	-21.2	177.9	-69.2	-17.9	0	0	0	111.8	V308 R311 Q416 K417 D418 C424	V308-D420 VanDerWaalsContact CG1-OD2 3.3Å; V308-D420 WeakPolarHBondContact CG1-OD2 3.39Å; V308-D420 WeakPolarHBondContact CG2-OD2 3.4Å; R311-D420 IonicContact CZ-OD1 3.3Å; R311-D420 VanDerWaalsContact NH2-CG 3.34Å; R311-D420 IonicContact NH2-OD1 3.05Å; R311-D420 PolarHBondContact NH2-OD1 3.49Å; R311-D420 IonicContact NH2-OD2 2.73Å; R311-D420 PolarHBondContact NH2-OD2 3.46Å; Q416-D420 VanDerWaalsContact O-CG 3.31Å; Q416-D420 PolarHBondContact O-N 3.27Å; K417-D420 PolarHBondContact O-N 3.35Å; D418-D420 PolarHBondContact O-N 2.67Å; D420-C424 PolarHBondContact O-SG 3.01Å
421	V	67.6	Low	61.6	Low	74 Å²	74	93.6 Å²	93.6	45%	0.448	47%	0.473	S	S	.	.	H	α-helix	trans	-87.6	-42.1	176.2	168.6	0	0	0	0	112.5	K417 D418 I419 Q423 C424 S425	K417-V421 WeakPolarHBondContact O-CG2 3.25Å; K417-V421 PolarHBondContact O-N 3.35Å; K417-V421 VanDerWaalsContact O-N 3.13Å; D418-V421 WeakPolarHBondContact O-CA 3.47Å; D418-V421 WeakPolarHBondContact O-CB 3.31Å; D418-V421 PolarHBondContact O-N 2.88Å; I419-V421 PolarHBondContact O-N 3.35Å; V421-Q423 VanDerWaalsContact C-N 3.34Å; V421-Q423 PolarHBondContact O-N 3.45Å; V421-C424 WeakPolarHBondContact O-CB 3.35Å; V421-C424 PolarHBondContact O-N 3.21Å; V421-C424 VanDerWaalsContact O-N 3.13Å; V421-S425 PolarHBondContact O-N 3.23Å; V421-S425 PolarHBondContact O-OG 2.92Å
422	D	61.6	Low	59.5	Low	99 Å²	99	94.5 Å²	94.5	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-41.1	177.5	-72.4	-21.5	0	0	0	110.8	D418 I419 C424 S425 E426	D418-D422 PolarHBondContact O-N 3.25Å; I419-D422 PolarHBondContact O-N 2.82Å; D422-C424 VanDerWaalsContact C-N 3.27Å; D422-C424 PolarHBondContact O-N 2.93Å; D422-S425 WeakPolarHBondContact O-CA 3.29Å; D422-S425 WeakPolarHBondContact O-CB 3.35Å; D422-S425 PolarHBondContact O-N 3.1Å; D422-E426 PolarHBondContact O-N 3.4Å
423	Q	59	Low	57.8	Low	73 Å²	73	100.3 Å²	100.3	34%	0.341	52%	0.519	S	S	.	.	H	α-helix	trans	-60.2	-34.3	172.6	-71.7	179.8	4.3	0	0	112.9	I419 V421 S425	I419-Q423 WeakPolarHBondContact O-CG 3.14Å; I419-Q423 PolarHBondContact O-N 3.35Å; I419-Q423 VanDerWaalsContact O-N 3.12Å; V421-Q423 VanDerWaalsContact C-N 3.34Å; V421-Q423 PolarHBondContact O-N 3.45Å; Q423-S425 PolarHBondContact O-N 3.26Å
424	C	56.9	Low	55.8	Low	65 Å²	65	104.7 Å²	104.7	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-70.4	-18.3	172.9	-70.3	0	0	0	0	113.4	A179 D420 V421 D422	A179-C424 VanDerWaalsContact CB-SG 3.53Å; D420-C424 PolarHBondContact O-SG 3.01Å; V421-C424 WeakPolarHBondContact O-CB 3.35Å; V421-C424 PolarHBondContact O-N 3.21Å; V421-C424 VanDerWaalsContact O-N 3.13Å; D422-C424 VanDerWaalsContact C-N 3.27Å; D422-C424 PolarHBondContact O-N 2.93Å
425	S	53.2	Low	54	Low	79 Å²	79	106.5 Å²	106.5	55%	0.552	56%	0.555	S	S	*	*	H	α-helix	trans	-96.8	-34.2	-173.2	-55.6	0	0	0	0	112.2	V421 D422 Q423	V421-S425 PolarHBondContact O-N 3.23Å; V421-S425 PolarHBondContact O-OG 2.92Å; D422-S425 WeakPolarHBondContact O-CA 3.29Å; D422-S425 WeakPolarHBondContact O-CB 3.35Å; D422-S425 PolarHBondContact O-N 3.1Å; Q423-S425 PolarHBondContact O-N 3.26Å
426	E	52	Low	52.6	Low	156 Å²	156	109.2 Å²	109.2	73%	0.729	58%	0.577	S	S	*	*	H	α-helix	trans	-75.8	-27.1	175.1	-66.4	-170.3	141.6	0	0	113.4	D422 V428 P429	D422-E426 PolarHBondContact O-N 3.4Å; E426-V428 PolarHBondContact O-N 3.39Å; E426-P429 WeakPolarHBondContact O-CD 3.37Å
427	D	49	Very low	51.1	Low	68 Å²	68	117.5 Å²	117.5	36%	0.364	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	14	-176.9	-94.7	-17.2	0	0	0	115	N177 H180	N177-D427 PolarHBondContact ND2-OD2 3.12Å; N177-D427 VanDerWaalsContact ND2-OD2 3.16Å; H180-D427 WeakPolarHBondContact CA-OD2 3.45Å; H180-D427 IonicContact CD2-OD1 3.85Å; H180-D427 IonicContact CD2-OD2 2.64Å
428	V	46.2	Very low	49.9	Very low	127 Å²	127	119.2 Å²	119.2	77%	0.77	62%	0.616	S	S	*	*			trans	-100.9	68.4	171.9	-166.7	0	0	0	0	112.9	E426	E426-V428 PolarHBondContact O-N 3.39Å
429	P	45.8	Very low	48.9	Very low	114 Å²	114	117.2 Å²	117.2	74%	0.74	61%	0.605	S	S	*	*			trans	-141.9	70.7	150.2	38.8	-21.7	0	0	0	113.3	E426	E426-P429 WeakPolarHBondContact O-CD 3.37Å
430	E	38.6	Very low	48.4	Very low	187 Å²	187	121.9 Å²	121.9	87%	0.874	63%	0.629	S	S	*	*	S	Bend	trans	-113.7	126	156.7	-155	169.3	-144.5	0	0	109.9	C432	E430-C432 PolarHBondContact O-N 2.94Å
431	K	41.5	Very low	47.9	Very low	209 Å²	209	128.9 Å²	128.9	91%	0.909	65%	0.653	S	S	*	*			trans	-58.3	100.1	-168.3	-71.9	175.7	174.8	177	0	112.4
432	C	31.9	Very low	47.6	Very low	115 Å²	115	129.3 Å²	129.3	78%	0.777	65%	0.652	S	S	*	*			trans	-66.4	136	149.9	-156	0	0	0	0	107.5	E430 E434	E430-C432 PolarHBondContact O-N 2.94Å; C432-E434 PolarHBondContact O-N 3.46Å
433	H	35.5	Very low	47.5	Very low	180 Å²	180	127.8 Å²	127.8	83%	0.833	64%	0.644	S	S	*	*			trans	-52.3	137.4	174.5	-100.7	-90.8	0	0	0	109.7	L435	H433-L435 VanDerWaalsContact C-N 3.31Å; H433-L435 PolarHBondContact O-N 3.44Å
434	E	35.4	Very low	47.5	Very low	194 Å²	194	132 Å²	132	91%	0.907	66%	0.658	S	S	*	*			trans	-58.2	89.5	179.9	-68.4	-179.7	162.2	0	0	111.4	C432	C432-E434 PolarHBondContact O-N 3.46Å
435	L	40.7	Very low	48	Very low	151 Å²	151	131 Å²	131	79%	0.791	65%	0.653	S	S	*	*			trans	-73.7	126.5	151.2	-73.6	168.8	0	0	0	105.8	H433 Y437	H433-L435 VanDerWaalsContact C-N 3.31Å; H433-L435 PolarHBondContact O-N 3.44Å; L435-Y437 PolarHBondContact O-N 3.3Å; L435-Y437 VanDerWaalsContact O-N 3.08Å
436	P	40.3	Very low	48.6	Very low	95 Å²	95	134.3 Å²	134.3	62%	0.617	66%	0.66	S	S	*	*			trans	-58.3	121.1	-176.1	22.9	-32.9	0	0	0	109.2	F438	P436-F438 VanDerWaalsContact C-N 3.27Å; P436-F438 HydrophobicContact CB-CD2 4.44Å; P436-F438 HydrophobicContact CG-CD2 4.33Å; P436-F438 HydrophobicContact CG-CE2 4.35Å; P436-F438 PolarHBondContact O-N 3.45Å
437	Y	39	Very low	49	Very low	209 Å²	209	136.2 Å²	136.2	82%	0.82	66%	0.661	S	S	*	*			trans	-65.8	88.6	179.4	-177.8	-94.7	0	0	0	109.3	L435 N439	L435-Y437 PolarHBondContact O-N 3.3Å; L435-Y437 VanDerWaalsContact O-N 3.08Å; Y437-N439 HydrophobicContact CD1-CB 4.39Å; Y437-N439 HydrophobicContact CE1-CB 4.08Å; Y437-N439 PolarHBondContact O-N 2.83Å
438	F	49.2	Very low	49.9	Very low	152 Å²	152	137.6 Å²	137.6	67%	0.667	67%	0.666	S	S	*	*			trans	-75.8	96.4	174.4	-100.1	-78.2	0	0	0	109	P436 I440 I443	P436-F438 VanDerWaalsContact C-N 3.27Å; P436-F438 HydrophobicContact CB-CD2 4.44Å; P436-F438 HydrophobicContact CG-CD2 4.33Å; P436-F438 HydrophobicContact CG-CE2 4.35Å; P436-F438 PolarHBondContact O-N 3.45Å; F438-I440 PolarHBondContact O-N 3.47Å; F438-I443 HydrophobicContact CB-CD1 4.48Å; F438-I443 HydrophobicContact CD1-CD1 3.78Å; F438-I443 HydrophobicContact CD1-CG1 4.07Å; F438-I443 HydrophobicContact CE1-CD1 4.5Å; F438-I443 HydrophobicContact CG-CD1 4.47Å
439	N	51.4	Low	50.7	Low	45 Å²	45	137.8 Å²	137.8	24%	0.241	66%	0.658	C	S	.	*			trans	-63.2	107.7	171.5	-175.4	-0.4	0	0	0	109.4	Y437 R441 D442 I443	Y437-N439 HydrophobicContact CD1-CB 4.39Å; Y437-N439 HydrophobicContact CE1-CB 4.08Å; Y437-N439 PolarHBondContact O-N 2.83Å; N439-R441 PolarHBondContact O-N 3.26Å; N439-R441 VanDerWaalsContact O-N 3.14Å; N439-R441 VanDerWaalsContact OD1-CB 3.25Å; N439-R441 WeakPolarHBondContact OD1-CB 3.36Å; N439-R441 PolarHBondContact OD1-N 3.4Å; N439-R441 VanDerWaalsContact OD1-N 3.16Å; N439-D442 HydrophobicContact CB-CB 4.26Å; N439-D442 VanDerWaalsContact CB-OD2 3.28Å; N439-D442 WeakPolarHBondContact CB-OD2 3.4Å; N439-D442 VanDerWaalsContact ND2-CG 3.28Å; N439-D442 PolarHBondContact ND2-OD1 3.18Å; N439-D442 PolarHBondContact ND2-OD2 3.5Å; N439-D442 PolarHBondContact O-N 2.92Å; N439-I443 PolarHBondContact O-N 2.99Å
440	I	55.8	Low	51.8	Low	128 Å²	128	135.4 Å²	135.4	66%	0.656	65%	0.648	S	S	*	*	H	α-helix	trans	-58.1	-30.3	-178.7	-62.7	168.2	0	0	0	110.6	F438 D442 I443 Y444	F438-I440 PolarHBondContact O-N 3.47Å; I440-D442 VanDerWaalsContact C-N 3.29Å; I440-D442 PolarHBondContact O-N 3.09Å; I440-I443 PolarHBondContact O-N 2.95Å; I440-Y444 WeakPolarHBondContact O-CB 3.33Å; I440-Y444 PolarHBondContact O-N 3.4Å
441	R	55.3	Low	53.1	Low	186 Å²	186	132.4 Å²	132.4	70%	0.702	63%	0.633	S	S	*	*	H	α-helix	trans	-63.6	-33.8	175.9	-159.9	179.2	72.1	-177.8	3.1	112.2	N439 Y444 A445	N439-R441 PolarHBondContact O-N 3.26Å; N439-R441 VanDerWaalsContact O-N 3.14Å; N439-R441 VanDerWaalsContact OD1-CB 3.25Å; N439-R441 WeakPolarHBondContact OD1-CB 3.36Å; N439-R441 PolarHBondContact OD1-N 3.4Å; N439-R441 VanDerWaalsContact OD1-N 3.16Å; R441-Y444 PolarHBondContact O-N 3.15Å; R441-A445 VanDerWaalsContact O-CB 3.3Å; R441-A445 WeakPolarHBondContact O-CB 3.29Å; R441-A445 PolarHBondContact O-N 3.25Å
442	D	62.4	Low	54.3	Low	83 Å²	83	126.9 Å²	126.9	44%	0.444	61%	0.612	S	S	.	*	H	α-helix	trans	-79.8	-33.1	-179.6	-60	-22.3	0	0	0	111.2	N439 I440 Y444 A445 Q446	N439-D442 HydrophobicContact CB-CB 4.26Å; N439-D442 VanDerWaalsContact CB-OD2 3.28Å; N439-D442 WeakPolarHBondContact CB-OD2 3.4Å; N439-D442 VanDerWaalsContact ND2-CG 3.28Å; N439-D442 PolarHBondContact ND2-OD1 3.18Å; N439-D442 PolarHBondContact ND2-OD2 3.5Å; N439-D442 PolarHBondContact O-N 2.92Å; I440-D442 VanDerWaalsContact C-N 3.29Å; I440-D442 PolarHBondContact O-N 3.09Å; D442-Y444 VanDerWaalsContact C-N 3.35Å; D442-A445 PolarHBondContact O-N 3.36Å; D442-Q446 WeakPolarHBondContact O-CB 3.34Å; D442-Q446 PolarHBondContact O-N 3.36Å
443	I	59.1	Low	55.8	Low	67 Å²	67	125.8 Å²	125.8	34%	0.344	60%	0.602	S	S	.	*	H	α-helix	trans	-62.7	-43.9	167.7	-59	176.4	0	0	0	110.3	F438 N439 I440 Q446 R447	F438-I443 HydrophobicContact CB-CD1 4.48Å; F438-I443 HydrophobicContact CD1-CD1 3.78Å; F438-I443 HydrophobicContact CD1-CG1 4.07Å; F438-I443 HydrophobicContact CE1-CD1 4.5Å; F438-I443 HydrophobicContact CG-CD1 4.47Å; N439-I443 PolarHBondContact O-N 2.99Å; I440-I443 PolarHBondContact O-N 2.95Å; I443-Q446 PolarHBondContact O-N 3.04Å; I443-R447 WeakPolarHBondContact O-CB 3.48Å; I443-R447 PolarHBondContact O-N 3.42Å
444	Y	57.7	Low	57.1	Low	163 Å²	163	119.8 Å²	119.8	64%	0.639	58%	0.581	S	S	*	*	H	α-helix	trans	-65.9	-42.1	177.9	-134.2	-86.9	0	0	0	111.1	I440 R441 D442 R447 M448	I440-Y444 WeakPolarHBondContact O-CB 3.33Å; I440-Y444 PolarHBondContact O-N 3.4Å; R441-Y444 PolarHBondContact O-N 3.15Å; D442-Y444 VanDerWaalsContact C-N 3.35Å; Y444-R447 PolarHBondContact O-N 3.16Å; Y444-M448 HydrophobicContact CD1-CE 4.15Å; Y444-M448 HydrophobicContact CE1-CE 4.26Å; Y444-M448 VanDerWaalsContact O-CB 3.22Å; Y444-M448 WeakPolarHBondContact O-CB 3.23Å; Y444-M448 PolarHBondContact O-N 2.93Å
445	A	68.5	Low	57.9	Low	42 Å²	42	115.2 Å²	115.2	35%	0.347	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-45.7	174.9	0	0	0	0	0	112	R441 D442 R447 M448 H449	R441-A445 VanDerWaalsContact O-CB 3.3Å; R441-A445 WeakPolarHBondContact O-CB 3.29Å; R441-A445 PolarHBondContact O-N 3.25Å; D442-A445 PolarHBondContact O-N 3.36Å; A445-R447 PolarHBondContact O-N 3.07Å; A445-M448 PolarHBondContact O-N 3.2Å; A445-H449 WeakPolarHBondContact O-CB 3.3Å; A445-H449 PolarHBondContact O-CD2 2.69Å; A445-H449 VanDerWaalsContact O-CD2 3.25Å; A445-H449 PolarHBondContact O-N 3.47Å
446	Q	65.8	Low	58.3	Low	150 Å²	150	112.5 Å²	112.5	70%	0.701	56%	0.555	S	S	*	*	H	α-helix	trans	-61.8	-43.5	175.6	-90.7	-172.3	-28.6	0	0	112.4	D442 I443 A450	D442-Q446 WeakPolarHBondContact O-CB 3.34Å; D442-Q446 PolarHBondContact O-N 3.36Å; I443-Q446 PolarHBondContact O-N 3.04Å; Q446-A450 WeakPolarHBondContact O-CB 3.4Å; Q446-A450 PolarHBondContact O-N 3.04Å
447	R	60.6	Low	58.5	Low	195 Å²	195	112.5 Å²	112.5	74%	0.736	56%	0.557	S	S	*	*	H	α-helix	trans	-66.1	-40.1	175.5	-79.7	-172.9	168.6	-169.7	-2.5	112.3	I443 Y444 A445 A450 F451	I443-R447 WeakPolarHBondContact O-CB 3.48Å; I443-R447 PolarHBondContact O-N 3.42Å; Y444-R447 PolarHBondContact O-N 3.16Å; A445-R447 PolarHBondContact O-N 3.07Å; R447-A450 PolarHBondContact O-N 2.57Å; R447-F451 VanDerWaalsContact O-CB 3.25Å; R447-F451 WeakPolarHBondContact O-CB 3.46Å; R447-F451 PolarHBondContact O-N 2.95Å
448	M	67.9	Low	58.9	Low	97 Å²	97	108.1 Å²	108.1	48%	0.478	55%	0.552	S	S	.	*	H	α-helix	trans	-64.5	-44.8	176.3	-163.3	94.9	79.6	0	0	111.1	Y444 A445 F451 I452	Y444-M448 HydrophobicContact CD1-CE 4.15Å; Y444-M448 HydrophobicContact CE1-CE 4.26Å; Y444-M448 VanDerWaalsContact O-CB 3.22Å; Y444-M448 WeakPolarHBondContact O-CB 3.23Å; Y444-M448 PolarHBondContact O-N 2.93Å; A445-M448 PolarHBondContact O-N 3.2Å; M448-F451 PolarHBondContact O-N 2.83Å; M448-I452 HydrophobicContact CG-CD1 3.84Å; M448-I452 WeakPolarHBondContact O-CB 3.39Å; M448-I452 VanDerWaalsContact O-CG1 3.26Å; M448-I452 WeakPolarHBondContact O-CG1 3.42Å; M448-I452 PolarHBondContact O-N 2.68Å
449	H	63.2	Low	58.7	Low	131 Å²	131	103.9 Å²	103.9	61%	0.606	55%	0.552	S	S	*	*	H	α-helix	trans	-62.8	-46.2	175	-86.3	-72	0	0	0	111.6	A445 F451 I452 T453	A445-H449 WeakPolarHBondContact O-CB 3.3Å; A445-H449 PolarHBondContact O-CD2 2.69Å; A445-H449 VanDerWaalsContact O-CD2 3.25Å; A445-H449 PolarHBondContact O-N 3.47Å; H449-F451 VanDerWaalsContact C-N 3.29Å; H449-F451 PolarHBondContact O-N 3.44Å; H449-I452 PolarHBondContact O-N 3.16Å; H449-T453 WeakPolarHBondContact O-CB 3.41Å; H449-T453 PolarHBondContact O-N 2.76Å; H449-T453 PolarHBondContact O-OG1 3.47Å
450	A	67.2	Low	58.1	Low	64 Å²	64	108.6 Å²	108.6	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-59.9	-39.8	175.7	0	0	0	0	0	112.3	Q446 R447 S454	Q446-A450 WeakPolarHBondContact O-CB 3.4Å; Q446-A450 PolarHBondContact O-N 3.04Å; R447-A450 PolarHBondContact O-N 2.57Å; A450-S454 WeakPolarHBondContact O-CB 3.46Å; A450-S454 PolarHBondContact O-N 3.03Å
451	F	67.8	Low	57	Low	124 Å²	124	109.2 Å²	109.2	54%	0.544	59%	0.585	S	S	.	*	H	α-helix	trans	-66.5	-47.8	176.4	-177	-110.2	0	0	0	112.2	R447 M448 H449 T453 S454 L455	R447-F451 VanDerWaalsContact O-CB 3.25Å; R447-F451 WeakPolarHBondContact O-CB 3.46Å; R447-F451 PolarHBondContact O-N 2.95Å; M448-F451 PolarHBondContact O-N 2.83Å; H449-F451 VanDerWaalsContact C-N 3.29Å; H449-F451 PolarHBondContact O-N 3.44Å; F451-T453 PolarHBondContact O-N 2.98Å; F451-S454 PolarHBondContact O-N 3.29Å; F451-S454 PolarHBondContact O-OG 2.82Å; F451-L455 HydrophobicContact CD1-CD1 3.8Å; F451-L455 HydrophobicContact CE1-CD1 3.47Å; F451-L455 VanDerWaalsContact CE1-CD1 3.47Å; F451-L455 HydrophobicContact CE1-CG 4.48Å; F451-L455 HydrophobicContact CE2-CD1 4.45Å; F451-L455 HydrophobicContact CG-CD1 4.43Å; F451-L455 HydrophobicContact CZ-CD1 3.83Å; F451-L455 HydrophobicContact CZ-CG 4.48Å; F451-L455 WeakPolarHBondContact O-CG 3.48Å; F451-L455 PolarHBondContact O-N 3.17Å
452	I	66.7	Low	56.1	Low	93 Å²	93	106.1 Å²	106.1	48%	0.477	59%	0.587	S	S	.	*	H	α-helix	trans	-61.9	-41.8	175.8	-70.4	167.8	0	0	0	111.1	M448 H449 L455 S456	M448-I452 HydrophobicContact CG-CD1 3.84Å; M448-I452 WeakPolarHBondContact O-CB 3.39Å; M448-I452 VanDerWaalsContact O-CG1 3.26Å; M448-I452 WeakPolarHBondContact O-CG1 3.42Å; M448-I452 PolarHBondContact O-N 2.68Å; H449-I452 PolarHBondContact O-N 3.16Å; I452-L455 PolarHBondContact O-N 2.65Å; I452-S456 WeakPolarHBondContact O-CB 3.48Å; I452-S456 PolarHBondContact O-N 3.22Å
453	T	61.5	Low	54.4	Low	92 Å²	92	107.5 Å²	107.5	56%	0.564	60%	0.602	S	S	*	*	H	α-helix	trans	-66.8	-36.4	175.7	-55.5	0	0	0	0	111.6	H449 F451 S456 S457	H449-T453 WeakPolarHBondContact O-CB 3.41Å; H449-T453 PolarHBondContact O-N 2.76Å; H449-T453 PolarHBondContact O-OG1 3.47Å; F451-T453 PolarHBondContact O-N 2.98Å; T453-S456 PolarHBondContact O-N 3.38Å; T453-S457 PolarHBondContact O-N 2.78Å; T453-S457 VanDerWaalsContact O-N 3.14Å
454	S	62.7	Low	53.1	Low	55 Å²	55	111.7 Å²	111.7	39%	0.385	63%	0.626	S	S	.	*	H	α-helix	trans	-66.8	-40.9	173.3	77.8	0	0	0	0	112.3	A450 F451 S457 V458	A450-S454 WeakPolarHBondContact O-CB 3.46Å; A450-S454 PolarHBondContact O-N 3.03Å; F451-S454 PolarHBondContact O-N 3.29Å; F451-S454 PolarHBondContact O-OG 2.82Å; S454-S457 PolarHBondContact O-N 3.34Å; S454-S457 VanDerWaalsContact O-N 3.08Å; S454-S457 PolarHBondContact O-OG 2.91Å; S454-V458 WeakPolarHBondContact O-CG2 3.33Å; S454-V458 PolarHBondContact O-N 3Å
455	L	53.7	Low	52.5	Low	98 Å²	98	109 Å²	109	51%	0.513	63%	0.628	S	S	.	*	H	α-helix	trans	-63.5	-41.7	174.1	-75.5	167.4	0	0	0	111.8	F451 I452 S457 V458	F451-L455 HydrophobicContact CD1-CD1 3.8Å; F451-L455 HydrophobicContact CE1-CD1 3.47Å; F451-L455 VanDerWaalsContact CE1-CD1 3.47Å; F451-L455 HydrophobicContact CE1-CG 4.48Å; F451-L455 HydrophobicContact CE2-CD1 4.45Å; F451-L455 HydrophobicContact CG-CD1 4.43Å; F451-L455 HydrophobicContact CZ-CD1 3.83Å; F451-L455 HydrophobicContact CZ-CG 4.48Å; F451-L455 WeakPolarHBondContact O-CG 3.48Å; F451-L455 PolarHBondContact O-N 3.17Å; I452-L455 PolarHBondContact O-N 2.65Å; L455-S457 PolarHBondContact O-N 3.35Å; L455-V458 PolarHBondContact O-N 2.92Å; L455-V458 VanDerWaalsContact O-N 3.13Å
456	S	49.1	Very low	50.7	Low	93 Å²	93	114.4 Å²	114.4	65%	0.65	65%	0.651	S	S	*	*	H	α-helix	trans	-59.7	-26.5	172.7	178.6	0	0	0	0	113.1	I452 T453	I452-S456 WeakPolarHBondContact O-CB 3.48Å; I452-S456 PolarHBondContact O-N 3.22Å; T453-S456 PolarHBondContact O-N 3.38Å
457	S	45.1	Very low	49	Very low	95 Å²	95	111.9 Å²	111.9	66%	0.664	65%	0.65	S	S	*	*	H	α-helix	trans	-85.9	-12.2	178.1	73.6	0	0	0	0	114.5	T453 S454 L455	T453-S457 PolarHBondContact O-N 2.78Å; T453-S457 VanDerWaalsContact O-N 3.14Å; S454-S457 PolarHBondContact O-N 3.34Å; S454-S457 VanDerWaalsContact O-N 3.08Å; S454-S457 PolarHBondContact O-OG 2.91Å; L455-S457 PolarHBondContact O-N 3.35Å
458	V	46.9	Very low	47.8	Very low	117 Å²	117	108.5 Å²	108.5	71%	0.709	65%	0.651	S	S	*	*	H	α-helix	trans	-95.5	-12.9	179.7	173.6	0	0	0	0	112	S454 L455 I460	S454-V458 WeakPolarHBondContact O-CG2 3.33Å; S454-V458 PolarHBondContact O-N 3Å; L455-V458 PolarHBondContact O-N 2.92Å; L455-V458 VanDerWaalsContact O-N 3.13Å; V458-I460 PolarHBondContact O-N 3.46Å
459	G	43.5	Very low	46	Very low	64 Å²	64	111.1 Å²	111.1	66%	0.66	67%	0.667	S	S	*	*	S	Bend	trans	-90.9	22.2	-171.7	0	0	0	0	0	117.8
460	I	39.6	Very low	44.4	Very low	144 Å²	144	108.4 Å²	108.4	74%	0.738	67%	0.668	S	S	*	*			trans	-137.1	92.7	172.2	-51.8	-180	0	0	0	111	V458 V462	V458-I460 PolarHBondContact O-N 3.46Å; I460-V462 HydrophobicContact CG2-CG2 4.31Å
461	V	32.8	Very low	42.7	Very low	141 Å²	141	110.5 Å²	110.5	86%	0.855	68%	0.678	S	S	*	*			trans	-126.5	121	151.7	177.4	0	0	0	0	107.1
462	V	35.6	Very low	40.8	Very low	121 Å²	121	109.4 Å²	109.4	73%	0.733	69%	0.686	S	S	*	*			trans	-96.5	131.4	-178.8	172	0	0	0	0	109.3	I460	I460-V462 HydrophobicContact CG2-CG2 4.31Å
463	S	28.3	Very low	39.2	Very low	111 Å²	111	112.7 Å²	112.7	78%	0.776	70%	0.703	S	S	*	*			trans	-162.2	97.4	155.9	58.5	0	0	0	0	111.9
464	D	31.1	Very low	37.7	Very low	156 Å²	156	116.3 Å²	116.3	83%	0.834	71%	0.713	S	S	*	*			trans	18.4	158.4	150.1	-81.5	-29.1	0	0	0	125
465	P	45	Very low	36.2	Very low	106 Å²	106	120.3 Å²	120.3	69%	0.688	73%	0.73	S	S	*	*			trans	-95.5	155	-171.1	38.6	-35.3	0	0	0	114.2
466	D	30.9	Very low	34.9	Very low	156 Å²	156	123 Å²	123	83%	0.834	75%	0.746	S	S	*	*				-173.6	158.8	125.7	-120	-28.3	0	0	0	115.4
467	S	30.6	Very low	34.2	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	76%	0.755	S	S	*	*			trans	67.6	115.2	158.1	63.2	0	0	0	0	122.4
468	T	33.8	Very low	33.4	Very low	124 Å²	124	129.4 Å²	129.4	76%	0.761	76%	0.759	S	S	*	*				32.9	148.6	127.6	25.1	0	0	0	0	121.7
469	D	31	Very low	32.5	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	76%	0.76	S	S	*	*			cis	-158.8	-174.3	30.2	-135.4	-36.8	0	0	0	115.3
470	A	30.3	Very low	31.7	Very low	74 Å²	74	132.6 Å²	132.6	61%	0.612	76%	0.762	S	S	*	*			trans	-80.9	157.3	-159.1	0	0	0	0	0	120.6
471	S	30.2	Very low	31	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	76%	0.76	S	S	*	*			trans	91	137.7	131.6	72.6	0	0	0	0	123.7
472	S	29.2	Very low	30.8	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	75%	0.752	S	S	*	*			trans	70.3	124.2	151.3	67.9	0	0	0	0	120.9
473	I	31.8	Very low	30.4	Very low	162 Å²	162	130.7 Å²	130.7	83%	0.831	75%	0.754	S	S	*	*				-172.1	140.9	96.5	-89.6	159.3	0	0	0	109.4
474	E	30.6	Very low	30.5	Very low	168 Å²	168	130 Å²	130	79%	0.785	75%	0.749	S	S	*	*			trans	-90.5	175.6	175.2	-73.9	172.7	123	0	0	112.3
475	D	30.3	Very low	30.4	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	76%	0.755	S	S	*	*			trans	66.3	113.6	158.4	-57.9	-23.3	0	0	0	120.6
476	N	27.1	Very low	29.8	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	76%	0.761	S	S	*	*				-170.3	138.3	91.6	-107.4	-22.7	0	0	0	112.9
477	E	34.9	Very low	30	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	76%	0.762	S	S	*	*			trans	-78	146.4	157.4	-64.7	-176.5	118	0	0	109.6
478	D	28.6	Very low	30.1	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	77%	0.768	S	S	*	*			trans	-156.9	109.1	151.7	-113.7	-24.3	0	0	0	113.3
479	I	28.2	Very low	30.2	Very low	143 Å²	143	136.2 Å²	136.2	73%	0.733	77%	0.77	S	S	*	*			trans	52.6	106.9	133.8	-58.1	174.8	0	0	0	119.8
480	C	25.8	Very low	30.4	Very low	105 Å²	105	133.7 Å²	133.7	71%	0.709	77%	0.771	S	S	*	*				31.4	133.2	117.7	-138.2	0	0	0	0	118.3
481	N	26	Very low	30.6	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	80%	0.8	S	S	*	*				167.4	171.2	65.4	-157.7	-8.8	0	0	0	110.3
482	T	26.9	Very low	30.6	Very low	111 Å²	111	145.5 Å²	145.5	68%	0.681	80%	0.803	S	S	*	*			trans	68.4	143.3	164.9	70.2	0	0	0	0	118
483	T	28.6	Very low	30.7	Very low	125 Å²	125	147.8 Å²	147.8	77%	0.767	81%	0.808	S	S	*	*			cis	-155.4	154	-10.8	7.8	0	0	0	0	110.5
484	S	29.1	Very low	30.6	Very low	98 Å²	98	147 Å²	147	69%	0.685	81%	0.806	S	S	*	*			trans	-51.4	148	161.2	46.2	0	0	0	0	114.2
485	L	30.6	Very low	30.6	Very low	181 Å²	181	145.8 Å²	145.8	95%	0.948	81%	0.808	S	S	*	*			trans	-109	138.3	150.6	-152.4	81.7	0	0	0	109.1
486	E	32.5	Very low	30.7	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	81%	0.812	S	S	*	*			trans	-91.7	165.6	-159	-65.1	171	107.1	0	0	115.4
487	N	34.5	Very low	30.9	Very low	160 Å²	160	145.6 Å²	145.6	86%	0.856	81%	0.811	S	S	*	*			trans	-59.3	145.7	163.1	-77	-40.8	0	0	0	112.8
488	C	31.6	Very low	30.6	Very low	119 Å²	119	142.9 Å²	142.9	80%	0.804	81%	0.807	S	S	*	*			trans	-152	139.1	151	-96.5	0	0	0	0	108.6
489	T	35.6	Very low	30.8	Very low	130 Å²	130	143.3 Å²	143.3	80%	0.798	81%	0.813	S	S	*	*			cis	-158.7	155.6	-16	-5.1	0	0	0	0	106.9
490	A	35.9	Very low	31	Very low	100 Å²	100	143.3 Å²	143.3	83%	0.826	82%	0.819	S	S	*	*			trans	-75.5	145.8	179.1	0	0	0	0	0	113.1
491	K	34.9	Very low	31.5	Very low	283 Å²	283	146.8 Å²	146.8	100%	1.23	83%	0.829	S	S	*	*			trans	-149.6	0	140.8	-118.1	-174	-177.6	-176.6	0	110.2

Retrieved 491 of 491 residues in 138.4 ms (Link to these results)

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