A0A087YS55_POEFO Loading...

Delayed-rectifier potassium channel regulatory subunit KCNS2

Potassium channel regulatory subunit that modulate the delayed rectifier voltage-gated potassium channel activity of KCNB1 and KCNB2 by altering their kinetics, expression levels, and shifting the half-inactivation potential to more polarized values. While it does not form functional channels on its own, it can form functional heterotetrameric channels with KCNB1 and KCNB2. Each regulatory subunit has unique regulatory properties that can lead to extensive inhibition, significant changes in kinetics, and/or substantial shifts in the voltage dependencies of the inactivation process.

AlphaFold DB , UniProt , Accession A0A087YS55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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	V	35.7	Very low	34.1	Very low	186 Å²	186	136.2 Å²	136.2	100%	1.127	81%	0.813	S	S	*	*				0	79.6	0	-175.2	0	0	0	0	106.2
2	L	32.4	Very low	34.8	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	80%	0.804	S	S	*	*				75.6	95.2	115	-66.7	169.6	0	0	0	111.4
3	R	36.5	Very low	35.4	Very low	223 Å²	223	138.2 Å²	138.2	84%	0.842	81%	0.811	S	S	*	*				58.6	111.7	92.6	-90.7	-170.6	-179.7	167.2	-0.7	112.8
4	D	29.3	Very low	36.4	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	80%	0.799	S	S	*	*				-170.8	116	96	-96.6	-20.5	0	0	0	112.4	T6	D4-T6 PolarHBondContact O-N 3.09Å
5	T	36.2	Very low	38.3	Very low	136 Å²	136	130.3 Å²	130.3	83%	0.834	77%	0.766	S	S	*	*			trans	-71.3	104.9	155.5	40.2	0	0	0	0	107.9	A7	T5-A7 PolarHBondContact O-N 3.46Å; T5-A7 VanDerWaalsContact O-N 3.09Å
6	T	33.5	Very low	40.8	Very low	137 Å²	137	122.9 Å²	122.9	84%	0.84	73%	0.727	S	S	*	*			trans	-75.8	99.3	165.2	48.2	0	0	0	0	108.3	D4	D4-T6 PolarHBondContact O-N 3.09Å
7	A	33.4	Very low	43.6	Very low	89 Å²	89	116.8 Å²	116.8	74%	0.736	69%	0.689	S	S	*	*			trans	-44.9	137.7	168.1	0	0	0	0	0	111.4	T5 A9	T5-A7 PolarHBondContact O-N 3.46Å; T5-A7 VanDerWaalsContact O-N 3.09Å; A7-A9 PolarHBondContact O-N 2.67Å
8	G	31.6	Very low	46.3	Very low	71 Å²	71	115.3 Å²	115.3	73%	0.732	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.6	126.8	159.2	0	0	0	0	0	108.4	P10	G8-P10 WeakPolarHBondContact O-CD 3.17Å
9	A	29.4	Very low	48.8	Very low	92 Å²	92	109.2 Å²	109.2	76%	0.76	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-62.1	122.2	170.3	0	0	0	0	0	107.4	A7 M11	A7-A9 PolarHBondContact O-N 2.67Å; A9-M11 PolarHBondContact O-N 2.76Å
10	P	35	Very low	51.1	Low	121 Å²	121	104.5 Å²	104.5	79%	0.786	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-64.3	121.3	168.5	27.5	-28.3	0	0	0	106.1	G8 D12	G8-P10 WeakPolarHBondContact O-CD 3.17Å; P10-D12 PolarHBondContact O-N 2.88Å; P10-D12 VanDerWaalsContact O-N 3.07Å
11	M	42.3	Very low	53.2	Low	149 Å²	149	99.5 Å²	99.5	73%	0.734	58%	0.578	S	S	*	*			trans	-59.7	115.9	165	-80.3	-152	174.8	0	0	106.5	A9 D13	A9-M11 PolarHBondContact O-N 2.76Å; M11-D13 PolarHBondContact O-N 3.28Å
12	D	41.8	Very low	55.8	Low	132 Å²	132	92.1 Å²	92.1	71%	0.706	54%	0.539	S	S	*	.			trans	-47.9	128	174.1	-120.9	-17.4	0	0	0	109.1	P10 N14 A15	P10-D12 PolarHBondContact O-N 2.88Å; P10-D12 VanDerWaalsContact O-N 3.07Å; D12-N14 PolarHBondContact O-N 3.47Å; D12-A15 HydrophobicContact CB-CB 4.25Å; D12-A15 WeakPolarHBondContact O-CB 3.39Å; D12-A15 PolarHBondContact O-N 3.26Å
13	D	43	Very low	58.4	Low	166 Å²	166	87.4 Å²	87.4	89%	0.888	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	12.8	178.1	-85.5	-28.4	0	0	0	113.7	M11	M11-D13 PolarHBondContact O-N 3.28Å
14	N	49.1	Very low	61.1	Low	121 Å²	121	80 Å²	80	65%	0.647	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	15.8	175.9	-146.5	6.9	0	0	0	112.6	D12 G16	D12-N14 PolarHBondContact O-N 3.47Å; N14-G16 PolarHBondContact O-N 3.11Å; N14-G16 VanDerWaalsContact O-N 3.15Å
15	A	66	Low	64.1	Low	37 Å²	37	79.5 Å²	79.5	31%	0.306	49%	0.493	S	S	.	.			trans	-87.4	75.9	-170.3	0	0	0	0	0	113.2	D12 S30	D12-A15 HydrophobicContact CB-CB 4.25Å; D12-A15 WeakPolarHBondContact O-CB 3.39Å; D12-A15 PolarHBondContact O-N 3.26Å; A15-S30 PolarHBondContact O-OG 3.26Å
16	G	77.1	Confident	66.8	Low	13 Å²	13	77.8 Å²	77.8	13%	0.134	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-63.1	150	168.9	0	0	0	0	0	114.2	N14 L28	N14-G16 PolarHBondContact O-N 3.11Å; N14-G16 VanDerWaalsContact O-N 3.15Å; G16-L28 CarbonylContact C-O 3.54Å; G16-L28 VanDerWaalsContact C-O 3.22Å; G16-L28 WeakPolarHBondContact CA-O 3.48Å
17	I	89.5	Confident	69.6	Low	18 Å²	18	78 Å²	78	9%	0.092	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149.2	179.6	63.1	171.1	0	0	0	112.5	I19 R27 L28 L33 L44 L45 F67	I17-I19 HydrophobicContact CD1-CG2 3.92Å; I17-I19 HydrophobicContact CG1-CG2 4.22Å; I17-R27 CarbonylContact O-C 3.6Å; I17-R27 WeakPolarHBondContact O-CA 3.38Å; I17-L28 HydrophobicContact CG1-CB 4.16Å; I17-L28 PolarHBondContact N-O 3.22Å; I17-L28 PolarHBondContact O-N 3.3Å; I17-L33 HydrophobicContact CD1-CD1 3.43Å; I17-L33 VanDerWaalsContact CD1-CD1 3.43Å; I17-L33 HydrophobicContact CG1-CD1 3.67Å; I17-L44 HydrophobicContact CD1-CB 4.39Å; I17-L44 HydrophobicContact CD1-CD1 4.03Å; I17-L45 HydrophobicContact CG2-CD2 3.71Å; I17-F67 HydrophobicContact CB-CD2 4.25Å; I17-F67 HydrophobicContact CB-CE2 3.92Å; I17-F67 HydrophobicContact CG2-CE2 3.96Å
18	R	92.1	Very high	72.3	Confident	90 Å²	90	74.3 Å²	74.3	34%	0.34	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.7	171.8	-72.5	-173.1	-73.2	-101.4	7.5	109.9	R27 E64 E66 F67	R18-R27 HydrophobicContact CG-CB 4.49Å; R18-R27 HydrophobicContact CG-CG 4.33Å; R18-E64 PolarHBondContact NE-O 3.21Å; R18-E64 PolarHBondContact NH2-O 2.64Å; R18-E66 WeakPolarHBondContact O-CA 3.35Å; R18-F67 WeakPolarHBondContact O-CD2 3.37Å; R18-F67 PolarHBondContact O-N 2.77Å
19	I	94	Very high	75.1	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.6	-178.9	59.5	160.4	0	0	0	110.7	I17 V21 K25 K26 L28 L41 F67 F69 F76	I17-I19 HydrophobicContact CD1-CG2 3.92Å; I17-I19 HydrophobicContact CG1-CG2 4.22Å; I19-V21 HydrophobicContact CD1-CG2 4.33Å; I19-K25 CarbonylContact O-C 3.56Å; I19-K25 VanDerWaalsContact O-CA 3.3Å; I19-K25 WeakPolarHBondContact O-CA 3.39Å; I19-K26 HydrophobicContact CG1-CB 4.21Å; I19-K26 VanDerWaalsContact CG1-O 3.23Å; I19-K26 WeakPolarHBondContact CG1-O 3.45Å; I19-K26 PolarHBondContact N-O 3.29Å; I19-K26 PolarHBondContact O-N 3.21Å; I19-L28 HydrophobicContact CD1-CD1 3.55Å; I19-L28 HydrophobicContact CD1-CG 4.05Å; I19-L28 HydrophobicContact CG1-CD1 4.2Å; I19-L28 HydrophobicContact CG1-CG 4.27Å; I19-L41 HydrophobicContact CG2-CD2 4.26Å; I19-F67 CarbonylContact C-O 3.56Å; I19-F67 WeakPolarHBondContact CA-O 3.5Å; I19-F67 HydrophobicContact CG2-CB 4.3Å; I19-F67 HydrophobicContact CG2-CD2 4.48Å; I19-F69 HydrophobicContact CB-CE2 4.39Å; I19-F69 HydrophobicContact CG2-CE2 4.23Å; I19-F76 HydrophobicContact CD1-CE1 3.36Å; I19-F76 HydrophobicContact CD1-CE2 4.2Å; I19-F76 HydrophobicContact CD1-CZ 3.14Å
20	N	94.6	Very high	77.9	Confident	15 Å²	15	72.1 Å²	72.1	8%	0.08	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	109.1	176.8	179.7	-2.5	0	0	0	109.4	G23 F24 K25 E66 F67 Y68 F69	N20-G23 WeakPolarHBondContact OD1-CA 3.24Å; N20-G23 PolarHBondContact OD1-N 3.35Å; N20-F24 WeakPolarHBondContact CA-O 3.28Å; N20-K25 HydrophobicContact CB-CG 4.06Å; N20-E66 VanDerWaalsContact CB-CD 3.44Å; N20-E66 HydrophobicContact CB-CG 3.8Å; N20-E66 WeakPolarHBondContact CB-OE2 3.49Å; N20-E66 PolarHBondContact ND2-OE2 3.47Å; N20-F67 PolarHBondContact N-O 3.23Å; N20-Y68 HydrophobicContact CB-CD2 4.1Å; N20-Y68 CarbonylContact O-C 3.58Å; N20-Y68 WeakPolarHBondContact O-CA 3.41Å; N20-Y68 WeakPolarHBondContact O-CD2 3.41Å; N20-F69 PolarHBondContact O-N 2.84Å
21	V	94.6	Very high	80.4	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101.2	-177	-174.3	0	0	0	0	108.6	I19 G23 F24 F69 R71 P73 F76 W106	I19-V21 HydrophobicContact CD1-CG2 4.33Å; V21-G23 PolarHBondContact O-N 3.48Å; V21-G23 VanDerWaalsContact O-N 3.09Å; V21-F24 PolarHBondContact N-O 3.21Å; V21-F24 VanDerWaalsContact O-CB 3.28Å; V21-F24 WeakPolarHBondContact O-CB 3.43Å; V21-F24 PolarHBondContact O-N 3.2Å; V21-F69 CarbonylContact C-O 3.59Å; V21-F69 WeakPolarHBondContact CA-O 3.38Å; V21-F69 HydrophobicContact CG1-CB 4.36Å; V21-F69 HydrophobicContact CG2-CB 4.26Å; V21-F69 HydrophobicContact CG2-CD2 4.01Å; V21-F69 HydrophobicContact CG2-CG 4.48Å; V21-R71 HydrophobicContact CG1-CB 3.84Å; V21-P73 WeakPolarHBondContact O-CB 3.42Å; V21-F76 HydrophobicContact CB-CB 4.36Å; V21-F76 HydrophobicContact CB-CD1 4.39Å; V21-F76 HydrophobicContact CB-CD2 4.23Å; V21-F76 HydrophobicContact CB-CG 4.04Å; V21-F76 HydrophobicContact CG1-CB 4.09Å; V21-F76 HydrophobicContact CG1-CD2 4.04Å; V21-F76 HydrophobicContact CG1-CG 4.08Å; V21-F76 HydrophobicContact CG2-CD1 4.05Å; V21-F76 HydrophobicContact CG2-CD2 3.71Å; V21-F76 HydrophobicContact CG2-CE1 4.12Å; V21-F76 HydrophobicContact CG2-CE2 3.79Å; V21-F76 HydrophobicContact CG2-CG 3.86Å; V21-F76 HydrophobicContact CG2-CZ 4.01Å; V21-W106 HydrophobicContact CG1-CH2 4.38Å; V21-W106 HydrophobicContact CG1-CZ2 3.99Å; V21-W106 HydrophobicContact CG2-CH2 3.92Å; V21-W106 HydrophobicContact CG2-CZ2 4.25Å
22	G	89.7	Confident	82.6	Confident	30 Å²	30	66.4 Å²	66.4	31%	0.309	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	30.1	-179.8	0	0	0	0	0	114.1	F69 R71	G22-F69 PolarHBondContact N-O 2.97Å; G22-R71 WeakPolarHBondContact CA-O 3.41Å
23	G	88.6	Confident	84.9	Confident	55 Å²	55	60.1 Å²	60.1	57%	0.567	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-11.1	-174.6	0	0	0	0	0	114.9	N20 V21 K25	N20-G23 WeakPolarHBondContact OD1-CA 3.24Å; N20-G23 PolarHBondContact OD1-N 3.35Å; V21-G23 PolarHBondContact O-N 3.48Å; V21-G23 VanDerWaalsContact O-N 3.09Å; G23-K25 PolarHBondContact O-N 2.66Å
24	F	92.8	Very high	87	Confident	68 Å²	68	55.6 Å²	55.6	30%	0.298	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	101.2	174.5	-171.9	-88.4	0	0	0	110.7	N20 V21 K26 P73 F76	N20-F24 WeakPolarHBondContact CA-O 3.28Å; V21-F24 PolarHBondContact N-O 3.21Å; V21-F24 VanDerWaalsContact O-CB 3.28Å; V21-F24 WeakPolarHBondContact O-CB 3.43Å; V21-F24 PolarHBondContact O-N 3.2Å; F24-K26 HydrophobicContact CE1-CB 4.11Å; F24-P73 HydrophobicContact CB-CB 3.8Å; F24-F76 AromaticContact CD1-CD1 3.72Å; F24-F76 HydrophobicContact CD1-CD1 3.72Å; F24-F76 HydrophobicContact CD1-CE1 4.38Å; F24-F76 AromaticContact CE1-CD1 3.93Å; F24-F76 HydrophobicContact CE1-CD1 3.93Å; F24-F76 HydrophobicContact CE1-CE1 4.45Å
25	K	93	Very high	88.9	Confident	129 Å²	129	56 Å²	56	56%	0.561	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.3	-178.5	-63.7	179.8	177.8	-109.8	0	112.1	I19 N20 G23 E66	I19-K25 CarbonylContact O-C 3.56Å; I19-K25 VanDerWaalsContact O-CA 3.3Å; I19-K25 WeakPolarHBondContact O-CA 3.39Å; N20-K25 HydrophobicContact CB-CG 4.06Å; G23-K25 PolarHBondContact O-N 2.66Å; K25-E66 WeakPolarHBondContact CD-OE1 3.48Å; K25-E66 IonicContact NZ-OE1 3.77Å; K25-E66 PolarHBondContact NZ-OE1 3.21Å; K25-E66 IonicContact NZ-OE2 2.72Å; K25-E66 PolarHBondContact NZ-OE2 3.2Å
26	K	92	Very high	90.1	Very high	100 Å²	100	55.8 Å²	55.8	44%	0.435	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.9	176.6	-162.3	68.7	175.4	-175.5	0	111.6	I19 F24 L28 L80	I19-K26 HydrophobicContact CG1-CB 4.21Å; I19-K26 VanDerWaalsContact CG1-O 3.23Å; I19-K26 WeakPolarHBondContact CG1-O 3.45Å; I19-K26 PolarHBondContact N-O 3.29Å; I19-K26 PolarHBondContact O-N 3.21Å; F24-K26 HydrophobicContact CE1-CB 4.11Å; K26-L28 HydrophobicContact CG-CD2 3.97Å; K26-L80 HydrophobicContact CD-CD2 4.4Å; K26-L80 HydrophobicContact CG-CD2 4.17Å
27	R	91.6	Very high	90.6	Very high	141 Å²	141	58.1 Å²	58.1	53%	0.532	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.4	168.1	-170.6	176.4	-178.1	-177.5	-4.1	109.6	I17 R18	I17-R27 CarbonylContact O-C 3.6Å; I17-R27 WeakPolarHBondContact O-CA 3.38Å; R18-R27 HydrophobicContact CG-CB 4.49Å; R18-R27 HydrophobicContact CG-CG 4.33Å
28	L	90.6	Very high	90.4	Very high	12 Å²	12	64.9 Å²	64.9	6%	0.063	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.8	-179.4	-57.2	-175.8	0	0	0	110.1	G16 I17 I19 K26 L33 L41 L80	G16-L28 CarbonylContact C-O 3.54Å; G16-L28 VanDerWaalsContact C-O 3.22Å; G16-L28 WeakPolarHBondContact CA-O 3.48Å; I17-L28 HydrophobicContact CG1-CB 4.16Å; I17-L28 PolarHBondContact N-O 3.22Å; I17-L28 PolarHBondContact O-N 3.3Å; I19-L28 HydrophobicContact CD1-CD1 3.55Å; I19-L28 HydrophobicContact CD1-CG 4.05Å; I19-L28 HydrophobicContact CG1-CD1 4.2Å; I19-L28 HydrophobicContact CG1-CG 4.27Å; K26-L28 HydrophobicContact CG-CD2 3.97Å; L28-L33 HydrophobicContact CB-CD1 4.04Å; L28-L33 HydrophobicContact CB-CD2 4.49Å; L28-L33 HydrophobicContact CB-CG 4.29Å; L28-L33 HydrophobicContact CD1-CD1 4.48Å; L28-L33 HydrophobicContact CD1-CD2 3.96Å; L28-L41 HydrophobicContact CD1-CD1 3.85Å; L28-L80 HydrophobicContact CD2-CD1 3.25Å
29	Q	90.9	Very high	90.4	Very high	86 Å²	86	60.9 Å²	60.9	40%	0.402	31%	0.314	S	S	.	.			trans	-79.9	140.9	178.3	-59.9	-63.9	1.8	0	0	110.7	D31 T32 L33	Q29-D31 PolarHBondContact O-N 3.23Å; Q29-T32 PolarHBondContact O-N 3.39Å; Q29-L33 PolarHBondContact O-N 3.13Å
30	S	87.6	Confident	90.4	Very high	31 Å²	31	63.8 Å²	63.8	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-36.8	179.9	-57.4	0	0	0	0	111.9	A15 T32 L33 S34	A15-S30 PolarHBondContact O-OG 3.26Å; S30-T32 VanDerWaalsContact C-N 3.27Å; S30-T32 PolarHBondContact O-N 3.06Å; S30-L33 PolarHBondContact O-N 3.12Å; S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 2.84Å; S30-S34 PolarHBondContact O-OG 3.05Å
31	D	87.9	Confident	90.2	Very high	115 Å²	115	63 Å²	63	62%	0.615	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-32.3	175	-63.9	-20.2	0	0	0	113.7	Q29 S34 R35	Q29-D31 PolarHBondContact O-N 3.23Å; D31-S34 WeakPolarHBondContact CA-OG 3.44Å; D31-S34 PolarHBondContact O-OG 3.45Å; D31-S34 VanDerWaalsContact O-OG 3.09Å; D31-R35 WeakPolarHBondContact O-CG 3.5Å
32	T	88.3	Confident	90	Very high	35 Å²	35	63.1 Å²	63.1	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-77.9	-36.9	-179	-48.3	0	0	0	0	110.6	Q29 S30 Y83	Q29-T32 PolarHBondContact O-N 3.39Å; S30-T32 VanDerWaalsContact C-N 3.27Å; S30-T32 PolarHBondContact O-N 3.06Å; T32-Y83 VanDerWaalsContact CG2-O 3.25Å; T32-Y83 WeakPolarHBondContact CG2-O 3.4Å
33	L	89.2	Confident	90	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-74.7	-38.6	178.7	-66.4	176.9	0	0	0	112	I17 L28 Q29 S30 R35 F36 L41 A42 L45 Y83	I17-L33 HydrophobicContact CD1-CD1 3.43Å; I17-L33 VanDerWaalsContact CD1-CD1 3.43Å; I17-L33 HydrophobicContact CG1-CD1 3.67Å; L28-L33 HydrophobicContact CB-CD1 4.04Å; L28-L33 HydrophobicContact CB-CD2 4.49Å; L28-L33 HydrophobicContact CB-CG 4.29Å; L28-L33 HydrophobicContact CD1-CD1 4.48Å; L28-L33 HydrophobicContact CD1-CD2 3.96Å; Q29-L33 PolarHBondContact O-N 3.13Å; S30-L33 PolarHBondContact O-N 3.12Å; L33-R35 PolarHBondContact O-N 3.24Å; L33-R35 VanDerWaalsContact O-N 3.12Å; L33-F36 CarbonylContact O-C 3.59Å; L33-F36 PolarHBondContact O-N 3.21Å; L33-L41 HydrophobicContact CD2-CB 3.72Å; L33-L41 HydrophobicContact CD2-CD1 4.42Å; L33-A42 HydrophobicContact CB-CB 4.37Å; L33-A42 VanDerWaalsContact O-CB 3.28Å; L33-A42 WeakPolarHBondContact O-CB 3.45Å; L33-L45 HydrophobicContact CB-CD1 3.84Å; L33-L45 HydrophobicContact CD1-CD1 4.39Å; L33-L45 HydrophobicContact CD1-CD2 4.42Å; L33-L45 HydrophobicContact CD1-CG 4.41Å; L33-Y83 HydrophobicContact CD2-CD1 3.71Å; L33-Y83 HydrophobicContact CD2-CD2 4.47Å; L33-Y83 HydrophobicContact CD2-CE1 3.58Å; L33-Y83 HydrophobicContact CD2-CE2 4.39Å; L33-Y83 HydrophobicContact CD2-CG 4.16Å
34	S	88.3	Confident	90	Very high	70 Å²	70	65.1 Å²	65.1	49%	0.49	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-18.5	-179.2	64.8	0	0	0	0	113.7	S30 D31 F36	S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 2.84Å; S30-S34 PolarHBondContact O-OG 3.05Å; D31-S34 WeakPolarHBondContact CA-OG 3.44Å; D31-S34 PolarHBondContact O-OG 3.45Å; D31-S34 VanDerWaalsContact O-OG 3.09Å; S34-F36 PolarHBondContact O-N 3.08Å
35	R	87.9	Confident	89.7	Confident	131 Å²	131	64.2 Å²	64.2	49%	0.494	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.9	171.4	-67.9	173.1	67.8	-170.4	3.1	113.3	D31 L33 Y83 N84	D31-R35 WeakPolarHBondContact O-CG 3.5Å; L33-R35 PolarHBondContact O-N 3.24Å; L33-R35 VanDerWaalsContact O-N 3.12Å; R35-Y83 PolarHBondContact NH1-O 3.37Å; R35-Y83 VanDerWaalsContact NH1-O 3.15Å; R35-N84 PolarHBondContact NH1-O 3.3Å
36	F	91.1	Very high	89.3	Confident	31 Å²	31	64.5 Å²	64.5	14%	0.136	31%	0.305	C	S	.	.	S	Bend	trans	-133	71.6	-175.9	-57.6	-72.8	0	0	0	110.7	L33 S34 E38 T39 A42 F82 Y83 F112	L33-F36 CarbonylContact O-C 3.59Å; L33-F36 PolarHBondContact O-N 3.21Å; S34-F36 PolarHBondContact O-N 3.08Å; F36-E38 VanDerWaalsContact C-N 3.26Å; F36-E38 PolarHBondContact O-N 2.75Å; F36-T39 HydrophobicContact CB-CG2 3.72Å; F36-T39 WeakPolarHBondContact O-CB 3.45Å; F36-T39 PolarHBondContact O-N 3.48Å; F36-T39 VanDerWaalsContact O-N 3.15Å; F36-T39 PolarHBondContact O-OG1 2.99Å; F36-A42 WeakPolarHBondContact O-CB 3.09Å; F36-F82 HydrophobicContact CB-CE1 4.3Å; F36-F82 HydrophobicContact CD1-CE1 4.16Å; F36-F82 AromaticContact CD1-CZ 3.64Å; F36-F82 HydrophobicContact CD1-CZ 3.64Å; F36-F82 AromaticContact CD2-CE1 3.8Å; F36-F82 HydrophobicContact CD2-CE1 3.8Å; F36-F82 AromaticContact CD2-CZ 3.99Å; F36-F82 HydrophobicContact CD2-CZ 3.99Å; F36-F82 HydrophobicContact CE1-CE1 4.47Å; F36-F82 HydrophobicContact CE1-CE2 4.2Å; F36-F82 AromaticContact CE1-CZ 3.7Å; F36-F82 HydrophobicContact CE1-CZ 3.7Å; F36-F82 HydrophobicContact CE2-CE1 4.13Å; F36-F82 HydrophobicContact CE2-CZ 4.05Å; F36-F82 AromaticContact CG-CE1 3.82Å; F36-F82 HydrophobicContact CG-CE1 3.82Å; F36-F82 AromaticContact CG-CZ 3.8Å; F36-F82 HydrophobicContact CG-CZ 3.8Å; F36-F82 HydrophobicContact CZ-CE1 4.47Å; F36-F82 HydrophobicContact CZ-CE2 4.21Å; F36-F82 AromaticContact CZ-CZ 3.92Å; F36-F82 HydrophobicContact CZ-CZ 3.92Å; F36-Y83 HydrophobicContact CB-CE1 4.24Å; F36-Y83 AromaticContact CD2-CD1 3.96Å; F36-Y83 HydrophobicContact CD2-CD1 3.96Å; F36-Y83 HydrophobicContact CD2-CE1 4.33Å; F36-F112 HydrophobicContact CD1-CZ 4.47Å; F36-F112 HydrophobicContact CE1-CE1 4.23Å; F36-F112 HydrophobicContact CE1-CZ 4.44Å
37	P	87.6	Confident	88.9	Confident	62 Å²	62	60.7 Å²	60.7	40%	0.403	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.6	-168.9	25.8	-35	0	0	0	114.3	T39	P37-T39 PolarHBondContact O-N 3.4Å
38	E	86.8	Confident	88.3	Confident	161 Å²	161	63.3 Å²	63.3	75%	0.752	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.7	179.9	-59.8	-55.9	145.9	0	0	113.6	F36	F36-E38 VanDerWaalsContact C-N 3.26Å; F36-E38 PolarHBondContact O-N 2.75Å
39	T	92	Very high	88.1	Confident	5 Å²	5	65 Å²	65	3%	0.031	32%	0.322	C	S	.	.	S	Bend	trans	-79.7	152.4	-175.8	63.8	0	0	0	0	112	F36 P37 L41 A42 R43 F82 Y83 I108	F36-T39 HydrophobicContact CB-CG2 3.72Å; F36-T39 WeakPolarHBondContact O-CB 3.45Å; F36-T39 PolarHBondContact O-N 3.48Å; F36-T39 VanDerWaalsContact O-N 3.15Å; F36-T39 PolarHBondContact O-OG1 2.99Å; P37-T39 PolarHBondContact O-N 3.4Å; T39-L41 VanDerWaalsContact C-N 3.32Å; T39-L41 PolarHBondContact O-N 3.15Å; T39-A42 PolarHBondContact O-N 3.16Å; T39-A42 VanDerWaalsContact O-N 3.1Å; T39-A42 WeakPolarHBondContact OG1-CB 3.46Å; T39-R43 WeakPolarHBondContact O-CG 3.45Å; T39-R43 PolarHBondContact O-N 2.81Å; T39-R43 VanDerWaalsContact O-N 3.09Å; T39-F82 HydrophobicContact CG2-CE1 4.27Å; T39-Y83 WeakPolarHBondContact CB-OH 3.27Å; T39-Y83 WeakPolarHBondContact OG1-CE1 3.44Å; T39-Y83 PolarHBondContact OG1-OH 2.85Å; T39-I108 HydrophobicContact CG2-CG1 4.04Å
40	R	92.8	Very high	87.7	Confident	61 Å²	61	65.2 Å²	65.2	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-56.4	-43	-175.7	-175.5	180	-71.1	-126.1	5.6	112.9	R43 L44 L56 Y105 W106	R40-R43 PolarHBondContact O-N 3.42Å; R40-L44 PolarHBondContact O-N 2.85Å; R40-L56 WeakPolarHBondContact CD-O 3.25Å; R40-L56 HydrophobicContact CG-CB 4.48Å; R40-L56 HydrophobicContact CG-CD2 4.37Å; R40-L56 PolarHBondContact NH1-O 3.42Å; R40-L56 VanDerWaalsContact NH1-O 3.11Å; R40-Y105 PolarHBondContact NE-O 3Å; R40-Y105 PolarHBondContact NH1-OH 2.92Å; R40-Y105 PolarHBondContact NH2-O 3.29Å; R40-W106 PolarHBondContact N-O 2.81Å
41	L	91.8	Very high	87.5	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70	-31.8	-179.8	-65.1	175.8	0	0	0	112.9	I19 L28 L33 T39 L44 F69 F76 V79 Y83 W106	I19-L41 HydrophobicContact CG2-CD2 4.26Å; L28-L41 HydrophobicContact CD1-CD1 3.85Å; L33-L41 HydrophobicContact CD2-CB 3.72Å; L33-L41 HydrophobicContact CD2-CD1 4.42Å; T39-L41 VanDerWaalsContact C-N 3.32Å; T39-L41 PolarHBondContact O-N 3.15Å; L41-L44 HydrophobicContact CD2-CD1 4.15Å; L41-L44 WeakPolarHBondContact O-CB 3.45Å; L41-L44 PolarHBondContact O-N 2.95Å; L41-F69 HydrophobicContact CD2-CE2 3.94Å; L41-F69 HydrophobicContact CD2-CZ 3.8Å; L41-F76 HydrophobicContact CD1-CE2 4.09Å; L41-F76 HydrophobicContact CD1-CZ 3.94Å; L41-V79 HydrophobicContact CD1-CG1 4.43Å; L41-Y83 HydrophobicContact CB-CE2 4.47Å; L41-Y83 WeakPolarHBondContact CB-OH 3.42Å; L41-Y83 HydrophobicContact CD1-CD2 4.43Å; L41-Y83 HydrophobicContact CD1-CE2 3.71Å; L41-W106 HydrophobicContact CD1-CE3 4.3Å; L41-W106 HydrophobicContact CD1-CZ3 4.33Å; L41-W106 HydrophobicContact CD2-CE3 4.15Å; L41-W106 HydrophobicContact CD2-CZ3 3.61Å; L41-W106 HydrophobicContact CG-CE3 3.91Å; L41-W106 HydrophobicContact CG-CZ3 3.9Å
42	A	89.6	Confident	87.4	Confident	2 Å²	2	66 Å²	66	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-35.2	177	0	0	0	0	0	111.7	L33 F36 T39 L44 L45	L33-A42 HydrophobicContact CB-CB 4.37Å; L33-A42 VanDerWaalsContact O-CB 3.28Å; L33-A42 WeakPolarHBondContact O-CB 3.45Å; F36-A42 WeakPolarHBondContact O-CB 3.09Å; T39-A42 PolarHBondContact O-N 3.16Å; T39-A42 VanDerWaalsContact O-N 3.1Å; T39-A42 WeakPolarHBondContact OG1-CB 3.46Å; A42-L44 PolarHBondContact O-N 3.24Å; A42-L45 VanDerWaalsContact O-CB 3.31Å; A42-L45 WeakPolarHBondContact O-CB 3.15Å; A42-L45 PolarHBondContact O-N 3.04Å
43	R	89.4	Confident	87.2	Confident	120 Å²	120	65.2 Å²	65.2	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-27.4	174.9	-69.6	177.2	61	-171.8	-3.9	113.2	T39 R40 L45 Q46 C47 L56	T39-R43 WeakPolarHBondContact O-CG 3.45Å; T39-R43 PolarHBondContact O-N 2.81Å; T39-R43 VanDerWaalsContact O-N 3.09Å; R40-R43 PolarHBondContact O-N 3.42Å; R43-L45 PolarHBondContact O-N 2.75Å; R43-Q46 PolarHBondContact O-N 2.66Å; R43-C47 PolarHBondContact O-SG 2.98Å; R43-L56 HydrophobicContact CB-CD1 3.69Å
44	L	89.1	Confident	87.2	Confident	6 Å²	6	69 Å²	69	3%	0.031	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.4	-30.1	173	-68.9	178.5	0	0	0	113	I17 R40 L41 A42 Q46 C47 L56 F67 F69	I17-L44 HydrophobicContact CD1-CB 4.39Å; I17-L44 HydrophobicContact CD1-CD1 4.03Å; R40-L44 PolarHBondContact O-N 2.85Å; L41-L44 HydrophobicContact CD2-CD1 4.15Å; L41-L44 WeakPolarHBondContact O-CB 3.45Å; L41-L44 PolarHBondContact O-N 2.95Å; A42-L44 PolarHBondContact O-N 3.24Å; L44-Q46 PolarHBondContact O-N 3.3Å; L44-C47 PolarHBondContact O-N 3.34Å; L44-L56 HydrophobicContact CD2-CB 3.73Å; L44-L56 HydrophobicContact CD2-CD1 3.98Å; L44-F67 HydrophobicContact CD1-CB 4.28Å; L44-F67 HydrophobicContact CD1-CD1 4.01Å; L44-F67 HydrophobicContact CD1-CD2 4.23Å; L44-F67 HydrophobicContact CD1-CE1 4.4Å; L44-F67 HydrophobicContact CD1-CG 3.92Å; L44-F67 HydrophobicContact CD2-CD1 3.94Å; L44-F67 HydrophobicContact CD2-CE1 3.98Å; L44-F69 HydrophobicContact CD1-CE2 4.47Å; L44-F69 HydrophobicContact CD1-CZ 3.93Å
45	L	86.8	Confident	87.1	Confident	50 Å²	50	72.8 Å²	72.8	26%	0.262	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-67.1	-21.9	177.4	-61.9	177.2	0	0	0	112.8	I17 L33 A42 R43	I17-L45 HydrophobicContact CG2-CD2 3.71Å; L33-L45 HydrophobicContact CB-CD1 3.84Å; L33-L45 HydrophobicContact CD1-CD1 4.39Å; L33-L45 HydrophobicContact CD1-CD2 4.42Å; L33-L45 HydrophobicContact CD1-CG 4.41Å; A42-L45 VanDerWaalsContact O-CB 3.31Å; A42-L45 WeakPolarHBondContact O-CB 3.15Å; A42-L45 PolarHBondContact O-N 3.04Å; R43-L45 PolarHBondContact O-N 2.75Å
46	Q	84.1	Confident	87.1	Confident	134 Å²	134	67.2 Å²	67.2	63%	0.626	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-95.1	-6.4	-176.8	-59.6	176.1	3.4	0	0	112.4	R43 L44	R43-Q46 PolarHBondContact O-N 2.66Å; L44-Q46 PolarHBondContact O-N 3.3Å
47	C	84.3	Confident	87	Confident	21 Å²	21	66 Å²	66	14%	0.142	32%	0.321	C	S	.	.			trans	-77.2	128.1	-177.7	-65.1	0	0	0	0	110.8	R43 L44 S52 I53	R43-C47 PolarHBondContact O-SG 2.98Å; L44-C47 PolarHBondContact O-N 3.34Å; C47-S52 WeakPolarHBondContact CB-OG 3.18Å; C47-I53 HydrophobicContact CB-CG1 3.7Å
48	Q	79.2	Confident	87.2	Confident	196 Å²	196	67.3 Å²	67.3	92%	0.916	32%	0.324	S	S	*	.			trans	-113.9	-15.6	-178.3	-63.2	-177.6	8.3	0	0	112.9
49	S	84.6	Confident	87.3	Confident	48 Å²	48	64.2 Å²	64.2	34%	0.336	31%	0.313	S	S	.	.	S	Bend	trans	-122	154.6	179.7	92.7	0	0	0	0	111.3	E51 S52 I53	S49-E51 WeakPolarHBondContact CB-OE2 3.25Å; S49-E51 PolarHBondContact O-N 3.06Å; S49-E51 PolarHBondContact OG-N 3.09Å; S49-E51 PolarHBondContact OG-OE2 3.46Å; S49-S52 PolarHBondContact N-OG 3.16Å; S49-S52 PolarHBondContact O-N 3.11Å; S49-S52 PolarHBondContact O-OG 3.25Å; S49-S52 PolarHBondContact OG-N 2.8Å; S49-S52 PolarHBondContact OG-OG 3.42Å; S49-I53 WeakPolarHBondContact O-CG1 3.43Å; S49-I53 PolarHBondContact O-N 2.81Å
50	K	82.6	Confident	87.2	Confident	90 Å²	90	65.6 Å²	65.6	39%	0.391	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-33	179.2	-171.4	167.1	-177.9	167	0	111.8	I53 L54 D62	K50-I53 WeakPolarHBondContact O-CB 3.01Å; K50-I53 PolarHBondContact O-N 2.63Å; K50-L54 HydrophobicContact CG-CD1 4.27Å; K50-L54 WeakPolarHBondContact O-CG 3.48Å; K50-L54 PolarHBondContact O-N 3.04Å; K50-L54 VanDerWaalsContact O-N 3.11Å; K50-D62 IonicContact NZ-OD1 3.91Å; K50-D62 IonicContact NZ-OD2 2.67Å; K50-D62 PolarHBondContact NZ-OD2 3.16Å
51	E	83.7	Confident	87	Confident	131 Å²	131	66 Å²	66	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-45	175.2	-55.6	75.7	-161.8	0	0	111	S49 I53 L54 E55	S49-E51 WeakPolarHBondContact CB-OE2 3.25Å; S49-E51 PolarHBondContact O-N 3.06Å; S49-E51 PolarHBondContact OG-N 3.09Å; S49-E51 PolarHBondContact OG-OE2 3.46Å; E51-I53 PolarHBondContact O-N 3.41Å; E51-L54 PolarHBondContact O-N 3.39Å; E51-E55 PolarHBondContact O-N 3.29Å
52	S	85.6	Confident	86.7	Confident	31 Å²	31	70.5 Å²	70.5	22%	0.217	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-28.1	177.5	65	0	0	0	0	113.6	C47 S49	C47-S52 WeakPolarHBondContact CB-OG 3.18Å; S49-S52 PolarHBondContact N-OG 3.16Å; S49-S52 PolarHBondContact O-N 3.11Å; S49-S52 PolarHBondContact O-OG 3.25Å; S49-S52 PolarHBondContact OG-N 2.8Å; S49-S52 PolarHBondContact OG-OG 3.42Å
53	I	85.8	Confident	86.4	Confident	18 Å²	18	74.5 Å²	74.5	9%	0.092	38%	0.382	C	S	.	.	H	α-helix	trans	-71.3	-47.4	175.6	-69.3	170.7	0	0	0	110.4	C47 S49 K50 E51 E55 L56 C57 Y60 F67	C47-I53 HydrophobicContact CB-CG1 3.7Å; S49-I53 WeakPolarHBondContact O-CG1 3.43Å; S49-I53 PolarHBondContact O-N 2.81Å; K50-I53 WeakPolarHBondContact O-CB 3.01Å; K50-I53 PolarHBondContact O-N 2.63Å; E51-I53 PolarHBondContact O-N 3.41Å; I53-E55 PolarHBondContact O-N 2.67Å; I53-L56 PolarHBondContact O-N 2.72Å; I53-C57 WeakPolarHBondContact CG2-SG 3.4Å; I53-C57 PolarHBondContact O-N 3.18Å; I53-C57 PolarHBondContact O-SG 2.92Å; I53-Y60 HydrophobicContact CD1-CE1 4.45Å; I53-Y60 HydrophobicContact CG2-CD2 4.04Å; I53-Y60 HydrophobicContact CG2-CG 3.95Å; I53-F67 HydrophobicContact CB-CE1 4.4Å; I53-F67 HydrophobicContact CD1-CE1 4.08Å; I53-F67 HydrophobicContact CG1-CE1 4.07Å; I53-F67 HydrophobicContact CG2-CD1 3.67Å; I53-F67 HydrophobicContact CG2-CE1 3.51Å
54	L	87.4	Confident	86.1	Confident	80 Å²	80	74.1 Å²	74.1	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-69.8	-12.9	-178.1	-66.5	172.7	0	0	0	113.6	K50 E51 L56 C57	K50-L54 HydrophobicContact CG-CD1 4.27Å; K50-L54 WeakPolarHBondContact O-CG 3.48Å; K50-L54 PolarHBondContact O-N 3.04Å; K50-L54 VanDerWaalsContact O-N 3.11Å; E51-L54 PolarHBondContact O-N 3.39Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-C57 CarbonylContact C-O 3.59Å
55	E	87.9	Confident	86	Confident	151 Å²	151	80.1 Å²	80.1	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.9	167.1	-73.2	-176.6	178.5	0	0	112.8	E51 I53	E51-E55 PolarHBondContact O-N 3.29Å; I53-E55 PolarHBondContact O-N 2.67Å
56	L	86.8	Confident	86.2	Confident	14 Å²	14	78.9 Å²	78.9	7%	0.073	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-30.1	-173.1	-64.9	177.5	0	0	0	113.1	R40 R43 L44 I53 L54 F69	R40-L56 WeakPolarHBondContact CD-O 3.25Å; R40-L56 HydrophobicContact CG-CB 4.48Å; R40-L56 HydrophobicContact CG-CD2 4.37Å; R40-L56 PolarHBondContact NH1-O 3.42Å; R40-L56 VanDerWaalsContact NH1-O 3.11Å; R43-L56 HydrophobicContact CB-CD1 3.69Å; L44-L56 HydrophobicContact CD2-CB 3.73Å; L44-L56 HydrophobicContact CD2-CD1 3.98Å; I53-L56 PolarHBondContact O-N 2.72Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L56-F69 WeakPolarHBondContact O-CE1 3.33Å
57	C	89.9	Confident	86.6	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.027	38%	0.377	C	S	.	.	S	Bend	trans	-125.5	159	178.4	69.5	0	0	0	0	112.2	I53 L54 D59 F67 Y68 F69	I53-C57 WeakPolarHBondContact CG2-SG 3.4Å; I53-C57 PolarHBondContact O-N 3.18Å; I53-C57 PolarHBondContact O-SG 2.92Å; L54-C57 CarbonylContact C-O 3.59Å; C57-D59 PolarHBondContact SG-O 3.09Å; C57-F67 HydrophobicContact CB-CB 4.49Å; C57-Y68 WeakPolarHBondContact CB-O 3.5Å; C57-F69 HydrophobicContact CB-CD1 4.03Å; C57-F69 HydrophobicContact CB-CE1 3.6Å; C57-F69 HydrophobicContact CB-CE2 4.38Å; C57-F69 HydrophobicContact CB-CZ 3.82Å
58	D	90.2	Very high	87.1	Confident	90 Å²	90	75.8 Å²	75.8	48%	0.481	39%	0.385	S	S	.	.	S	Bend	trans	-78.3	-32.6	-173.7	-59.6	-59.9	0	0	0	112.4	Y68 F69 D70	D58-Y68 HydrophobicContact CB-CD1 4.41Å; D58-Y68 PolarHBondContact N-O 3.48Å; D58-F69 WeakPolarHBondContact OD2-CA 3.44Å; D58-D70 PolarHBondContact OD2-N 2.79Å
59	D	90.2	Very high	87.8	Confident	97 Å²	97	66.5 Å²	66.5	52%	0.519	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.3	174.8	-159.6	3	0	0	0	111.4	C57 Y68	C57-D59 PolarHBondContact SG-O 3.09Å; D59-Y68 HydrophobicContact CB-CD1 4.05Å; D59-Y68 HydrophobicContact CB-CG 4.46Å; D59-Y68 PolarHBondContact N-O 2.97Å; D59-Y68 PolarHBondContact O-N 2.82Å
60	Y	90	Very high	88.2	Confident	34 Å²	34	69.7 Å²	69.7	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	118.7	178.3	-177.8	-108	0	0	0	111.7	I53 D62 E66 F67	I53-Y60 HydrophobicContact CD1-CE1 4.45Å; I53-Y60 HydrophobicContact CG2-CD2 4.04Å; I53-Y60 HydrophobicContact CG2-CG 3.95Å; Y60-D62 WeakPolarHBondContact CD1-OD1 3.27Å; Y60-D62 VanDerWaalsContact CE1-OD1 3.28Å; Y60-D62 WeakPolarHBondContact CE1-OD1 3.25Å; Y60-E66 WeakPolarHBondContact CD2-O 3.46Å; Y60-F67 AromaticContact CD2-CD1 3.47Å; Y60-F67 HydrophobicContact CD2-CD1 3.47Å; Y60-F67 VanDerWaalsContact CD2-CD1 3.47Å; Y60-F67 AromaticContact CD2-CE1 3.6Å; Y60-F67 HydrophobicContact CD2-CE1 3.6Å; Y60-F67 AromaticContact CD2-CG 3.98Å; Y60-F67 HydrophobicContact CD2-CG 3.98Å; Y60-F67 HydrophobicContact CD2-CZ 4.2Å; Y60-F67 AromaticContact CE2-CD1 3.79Å; Y60-F67 HydrophobicContact CE2-CD1 3.79Å; Y60-F67 HydrophobicContact CE2-CD2 4.26Å; Y60-F67 AromaticContact CE2-CE1 3.54Å; Y60-F67 HydrophobicContact CE2-CE1 3.54Å; Y60-F67 HydrophobicContact CE2-CE2 4.01Å; Y60-F67 HydrophobicContact CE2-CG 4.14Å; Y60-F67 AromaticContact CE2-CZ 3.65Å; Y60-F67 HydrophobicContact CE2-CZ 3.65Å
61	D	88.6	Confident	88.6	Confident	70 Å²	70	68.4 Å²	68.4	37%	0.374	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.1	175.7	-174	-15	0	0	0	110.3	A63 E64 K65 E66	D61-A63 VanDerWaalsContact C-N 3.32Å; D61-A63 PolarHBondContact O-N 3.26Å; D61-A63 WeakPolarHBondContact OD1-CB 3.16Å; D61-A63 PolarHBondContact OD1-N 2.73Å; D61-E64 HydrophobicContact CB-CB 4.47Å; D61-E64 PolarHBondContact OD1-N 2.74Å; D61-K65 CarbonylContact O-C 3.51Å; D61-K65 WeakPolarHBondContact O-CA 3.46Å; D61-K65 PolarHBondContact O-N 2.97Å; D61-E66 HydrophobicContact CB-CB 4.36Å; D61-E66 PolarHBondContact N-O 3.39Å; D61-E66 PolarHBondContact O-N 2.8Å; D61-E66 VanDerWaalsContact O-N 3.16Å
62	D	84.3	Confident	88.9	Confident	94 Å²	94	65.6 Å²	65.6	50%	0.503	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.3	178.9	-67.9	-57.3	0	0	0	113	K50 Y60	K50-D62 IonicContact NZ-OD1 3.91Å; K50-D62 IonicContact NZ-OD2 2.67Å; K50-D62 PolarHBondContact NZ-OD2 3.16Å; Y60-D62 WeakPolarHBondContact CD1-OD1 3.27Å; Y60-D62 VanDerWaalsContact CE1-OD1 3.28Å; Y60-D62 WeakPolarHBondContact CE1-OD1 3.25Å
63	A	84.7	Confident	89.2	Confident	86 Å²	86	66.5 Å²	66.5	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-48.7	-178	0	0	0	0	0	110.6	D61	D61-A63 VanDerWaalsContact C-N 3.32Å; D61-A63 PolarHBondContact O-N 3.26Å; D61-A63 WeakPolarHBondContact OD1-CB 3.16Å; D61-A63 PolarHBondContact OD1-N 2.73Å
64	E	81.7	Confident	89.3	Confident	112 Å²	112	68.9 Å²	68.9	52%	0.523	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.6	179	-67.6	-61.3	145.8	0	0	113	R18 D61 E66	R18-E64 PolarHBondContact NE-O 3.21Å; R18-E64 PolarHBondContact NH2-O 2.64Å; D61-E64 HydrophobicContact CB-CB 4.47Å; D61-E64 PolarHBondContact OD1-N 2.74Å; E64-E66 HydrophobicContact CB-CB 4.2Å; E64-E66 PolarHBondContact O-N 2.82Å; E64-E66 VanDerWaalsContact O-N 3.15Å
65	K	86.6	Confident	89.5	Confident	132 Å²	132	65.4 Å²	65.4	57%	0.574	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.5	45.9	-173.2	-57.6	-175.3	176.5	-174.8	0	111.9	D61	D61-K65 CarbonylContact O-C 3.51Å; D61-K65 WeakPolarHBondContact O-CA 3.46Å; D61-K65 PolarHBondContact O-N 2.97Å
66	E	91.2	Very high	89.7	Confident	23 Å²	23	58.2 Å²	58.2	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.5	-173.7	-177.7	176.5	-101.2	0	0	110	R18 N20 K25 Y60 D61 E64	R18-E66 WeakPolarHBondContact O-CA 3.35Å; N20-E66 VanDerWaalsContact CB-CD 3.44Å; N20-E66 HydrophobicContact CB-CG 3.8Å; N20-E66 WeakPolarHBondContact CB-OE2 3.49Å; N20-E66 PolarHBondContact ND2-OE2 3.47Å; K25-E66 WeakPolarHBondContact CD-OE1 3.48Å; K25-E66 IonicContact NZ-OE1 3.77Å; K25-E66 PolarHBondContact NZ-OE1 3.21Å; K25-E66 IonicContact NZ-OE2 2.72Å; K25-E66 PolarHBondContact NZ-OE2 3.2Å; Y60-E66 WeakPolarHBondContact CD2-O 3.46Å; D61-E66 HydrophobicContact CB-CB 4.36Å; D61-E66 PolarHBondContact N-O 3.39Å; D61-E66 PolarHBondContact O-N 2.8Å; D61-E66 VanDerWaalsContact O-N 3.16Å; E64-E66 HydrophobicContact CB-CB 4.2Å; E64-E66 PolarHBondContact O-N 2.82Å; E64-E66 VanDerWaalsContact O-N 3.15Å
67	F	93.3	Very high	89.9	Confident	15 Å²	15	60.2 Å²	60.2	7%	0.066	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.2	173.6	-58.3	-88	0	0	0	110	I17 R18 I19 N20 L44 I53 C57 Y60 F69	I17-F67 HydrophobicContact CB-CD2 4.25Å; I17-F67 HydrophobicContact CB-CE2 3.92Å; I17-F67 HydrophobicContact CG2-CE2 3.96Å; R18-F67 WeakPolarHBondContact O-CD2 3.37Å; R18-F67 PolarHBondContact O-N 2.77Å; I19-F67 CarbonylContact C-O 3.56Å; I19-F67 WeakPolarHBondContact CA-O 3.5Å; I19-F67 HydrophobicContact CG2-CB 4.3Å; I19-F67 HydrophobicContact CG2-CD2 4.48Å; N20-F67 PolarHBondContact N-O 3.23Å; L44-F67 HydrophobicContact CD1-CB 4.28Å; L44-F67 HydrophobicContact CD1-CD1 4.01Å; L44-F67 HydrophobicContact CD1-CD2 4.23Å; L44-F67 HydrophobicContact CD1-CE1 4.4Å; L44-F67 HydrophobicContact CD1-CG 3.92Å; L44-F67 HydrophobicContact CD2-CD1 3.94Å; L44-F67 HydrophobicContact CD2-CE1 3.98Å; I53-F67 HydrophobicContact CB-CE1 4.4Å; I53-F67 HydrophobicContact CD1-CE1 4.08Å; I53-F67 HydrophobicContact CG1-CE1 4.07Å; I53-F67 HydrophobicContact CG2-CD1 3.67Å; I53-F67 HydrophobicContact CG2-CE1 3.51Å; C57-F67 HydrophobicContact CB-CB 4.49Å; Y60-F67 AromaticContact CD2-CD1 3.47Å; Y60-F67 HydrophobicContact CD2-CD1 3.47Å; Y60-F67 VanDerWaalsContact CD2-CD1 3.47Å; Y60-F67 AromaticContact CD2-CE1 3.6Å; Y60-F67 HydrophobicContact CD2-CE1 3.6Å; Y60-F67 AromaticContact CD2-CG 3.98Å; Y60-F67 HydrophobicContact CD2-CG 3.98Å; Y60-F67 HydrophobicContact CD2-CZ 4.2Å; Y60-F67 AromaticContact CE2-CD1 3.79Å; Y60-F67 HydrophobicContact CE2-CD1 3.79Å; Y60-F67 HydrophobicContact CE2-CD2 4.26Å; Y60-F67 AromaticContact CE2-CE1 3.54Å; Y60-F67 HydrophobicContact CE2-CE1 3.54Å; Y60-F67 HydrophobicContact CE2-CE2 4.01Å; Y60-F67 HydrophobicContact CE2-CG 4.14Å; Y60-F67 AromaticContact CE2-CZ 3.65Å; Y60-F67 HydrophobicContact CE2-CZ 3.65Å; F67-F69 HydrophobicContact CB-CE2 4.07Å
68	Y	94	Very high	90	Very high	76 Å²	76	62.3 Å²	62.3	30%	0.298	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.5	-178.5	-178.8	-103.8	0	0	0	112.3	N20 C57 D58 D59 D70	N20-Y68 HydrophobicContact CB-CD2 4.1Å; N20-Y68 CarbonylContact O-C 3.58Å; N20-Y68 WeakPolarHBondContact O-CA 3.41Å; N20-Y68 WeakPolarHBondContact O-CD2 3.41Å; C57-Y68 WeakPolarHBondContact CB-O 3.5Å; D58-Y68 HydrophobicContact CB-CD1 4.41Å; D58-Y68 PolarHBondContact N-O 3.48Å; D59-Y68 HydrophobicContact CB-CD1 4.05Å; D59-Y68 HydrophobicContact CB-CG 4.46Å; D59-Y68 PolarHBondContact N-O 2.97Å; D59-Y68 PolarHBondContact O-N 2.82Å; Y68-D70 HydrophobicContact CE1-CB 4.12Å
69	F	94.9	Very high	90.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.7	176.8	-59.7	-87.8	0	0	0	110	I19 N20 V21 G22 L41 L44 L56 C57 D58 F67 R71 Y105 W106	I19-F69 HydrophobicContact CB-CE2 4.39Å; I19-F69 HydrophobicContact CG2-CE2 4.23Å; N20-F69 PolarHBondContact O-N 2.84Å; V21-F69 CarbonylContact C-O 3.59Å; V21-F69 WeakPolarHBondContact CA-O 3.38Å; V21-F69 HydrophobicContact CG1-CB 4.36Å; V21-F69 HydrophobicContact CG2-CB 4.26Å; V21-F69 HydrophobicContact CG2-CD2 4.01Å; V21-F69 HydrophobicContact CG2-CG 4.48Å; G22-F69 PolarHBondContact N-O 2.97Å; L41-F69 HydrophobicContact CD2-CE2 3.94Å; L41-F69 HydrophobicContact CD2-CZ 3.8Å; L44-F69 HydrophobicContact CD1-CE2 4.47Å; L44-F69 HydrophobicContact CD1-CZ 3.93Å; L56-F69 WeakPolarHBondContact O-CE1 3.33Å; C57-F69 HydrophobicContact CB-CD1 4.03Å; C57-F69 HydrophobicContact CB-CE1 3.6Å; C57-F69 HydrophobicContact CB-CE2 4.38Å; C57-F69 HydrophobicContact CB-CZ 3.82Å; D58-F69 WeakPolarHBondContact OD2-CA 3.44Å; F67-F69 HydrophobicContact CB-CE2 4.07Å; F69-R71 HydrophobicContact CB-CG 4.22Å; F69-R71 PolarHBondContact O-N 2.84Å; F69-Y105 HydrophobicContact CD1-CE1 4.24Å; F69-W106 HydrophobicContact CB-CH2 4.07Å; F69-W106 AromaticContact CD1-CH2 3.82Å; F69-W106 HydrophobicContact CD1-CH2 3.82Å; F69-W106 HydrophobicContact CD1-CZ3 4Å; F69-W106 AromaticContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CZ3 4.31Å; F69-W106 HydrophobicContact CE1-CH2 4.12Å; F69-W106 AromaticContact CE1-CZ3 3.82Å; F69-W106 HydrophobicContact CE1-CZ3 3.82Å; F69-W106 HydrophobicContact CE2-CH2 4.22Å; F69-W106 HydrophobicContact CE2-CZ3 4.17Å; F69-W106 AromaticContact CG-CH2 3.67Å; F69-W106 HydrophobicContact CG-CH2 3.67Å; F69-W106 HydrophobicContact CG-CZ3 4.21Å; F69-W106 HydrophobicContact CZ-CH2 4.3Å; F69-W106 AromaticContact CZ-CZ3 3.9Å; F69-W106 HydrophobicContact CZ-CZ3 3.9Å
70	D	93.5	Very high	90.2	Very high	116 Å²	116	54.5 Å²	54.5	62%	0.62	29%	0.292	S	S	*	.			trans	-82.3	66.2	175.4	-169.1	17.2	0	0	0	110.5	D58 Y68	D58-D70 PolarHBondContact OD2-N 2.79Å; Y68-D70 HydrophobicContact CE1-CB 4.12Å
71	R	91.4	Very high	90.3	Very high	63 Å²	63	56 Å²	56	24%	0.238	30%	0.302	C	S	.	.	S	Bend	trans	-128.9	166.2	-177.3	-56.8	-65.9	-65.6	-159	-3.4	111.2	V21 G22 F69 P73 Q101 E102 Y105 W106	V21-R71 HydrophobicContact CG1-CB 3.84Å; G22-R71 WeakPolarHBondContact CA-O 3.41Å; F69-R71 HydrophobicContact CB-CG 4.22Å; F69-R71 PolarHBondContact O-N 2.84Å; R71-P73 VanDerWaalsContact O-CD 3.26Å; R71-P73 WeakPolarHBondContact O-CD 3.47Å; R71-Q101 PolarHBondContact NH2-O 2.67Å; R71-E102 IonicContact CZ-OE1 2.67Å; R71-E102 IonicContact NE-OE1 2.79Å; R71-E102 PolarHBondContact NE-OE1 3.05Å; R71-E102 IonicContact NE-OE2 2.73Å; R71-E102 VanDerWaalsContact NH2-CD 3.28Å; R71-E102 IonicContact NH2-OE1 2.66Å; R71-E102 PolarHBondContact NH2-OE1 2.78Å; R71-E102 IonicContact NH2-OE2 3.6Å; R71-Y105 HydrophobicContact CG-CD1 4.24Å; R71-Y105 HydrophobicContact CG-CE1 3.76Å; R71-W106 HydrophobicContact CB-CZ2 4.42Å; R71-W106 HydrophobicContact CG-CZ2 4.32Å
72	N	88.4	Confident	90.5	Very high	71 Å²	71	52.7 Å²	52.7	38%	0.38	28%	0.284	S	S	.	.			trans	-68.2	114.1	-176.1	-175.1	-10.2	0	0	0	111.8	A74 L75	N72-A74 PolarHBondContact O-N 2.91Å; N72-A74 WeakPolarHBondContact OD1-CB 3.36Å; N72-A74 PolarHBondContact OD1-N 3.2Å; N72-L75 HydrophobicContact CB-CD1 4.25Å; N72-L75 HydrophobicContact CB-CG 4.34Å; N72-L75 PolarHBondContact O-N 2.89Å
73	P	92	Very high	90.8	Very high	51 Å²	51	48.3 Å²	48.3	33%	0.331	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.5	-178.2	25.3	-34.3	0	0	0	113.2	V21 F24 R71 L75 P77	V21-P73 WeakPolarHBondContact O-CB 3.42Å; F24-P73 HydrophobicContact CB-CB 3.8Å; R71-P73 VanDerWaalsContact O-CD 3.26Å; R71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-L75 VanDerWaalsContact C-N 3.3Å; P73-L75 PolarHBondContact O-N 3.11Å; P73-P77 VanDerWaalsContact O-CD 3.28Å; P73-P77 WeakPolarHBondContact O-CD 3.44Å
74	A	89.2	Confident	91.1	Very high	67 Å²	67	48.5 Å²	48.5	55%	0.554	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.3	-178.3	0	0	0	0	0	113.2	N72	N72-A74 PolarHBondContact O-N 2.91Å; N72-A74 WeakPolarHBondContact OD1-CB 3.36Å; N72-A74 PolarHBondContact OD1-N 3.2Å
75	L	90.1	Very high	91.5	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-21	-178.5	-61.4	179.8	0	0	0	112.6	N72 P73 P77 Y78 L94 S98 E102	N72-L75 HydrophobicContact CB-CD1 4.25Å; N72-L75 HydrophobicContact CB-CG 4.34Å; N72-L75 PolarHBondContact O-N 2.89Å; P73-L75 VanDerWaalsContact C-N 3.3Å; P73-L75 PolarHBondContact O-N 3.11Å; L75-P77 VanDerWaalsContact C-CD 3.41Å; L75-Y78 HydrophobicContact CD2-CE2 4.42Å; L75-Y78 WeakPolarHBondContact O-CB 3.31Å; L75-Y78 WeakPolarHBondContact O-CD2 3.31Å; L75-Y78 PolarHBondContact O-N 3.19Å; L75-L94 HydrophobicContact CD2-CD1 3.35Å; L75-L94 HydrophobicContact CD2-CD2 4.06Å; L75-L94 HydrophobicContact CD2-CG 4.12Å; L75-S98 WeakPolarHBondContact CD1-OG 3.49Å; L75-E102 HydrophobicContact CB-CG 3.9Å; L75-E102 HydrophobicContact CD1-CB 4.49Å; L75-E102 HydrophobicContact CD1-CG 3.43Å; L75-E102 VanDerWaalsContact CD1-CG 3.43Å; L75-E102 HydrophobicContact CG-CG 4.28Å
76	F	92.3	Very high	91.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-32.1	-179.3	-166.3	-107	0	0	0	115.4	I19 V21 F24 L41 Y78 V79 L80 W106	I19-F76 HydrophobicContact CD1-CE1 3.36Å; I19-F76 HydrophobicContact CD1-CE2 4.2Å; I19-F76 HydrophobicContact CD1-CZ 3.14Å; V21-F76 HydrophobicContact CB-CB 4.36Å; V21-F76 HydrophobicContact CB-CD1 4.39Å; V21-F76 HydrophobicContact CB-CD2 4.23Å; V21-F76 HydrophobicContact CB-CG 4.04Å; V21-F76 HydrophobicContact CG1-CB 4.09Å; V21-F76 HydrophobicContact CG1-CD2 4.04Å; V21-F76 HydrophobicContact CG1-CG 4.08Å; V21-F76 HydrophobicContact CG2-CD1 4.05Å; V21-F76 HydrophobicContact CG2-CD2 3.71Å; V21-F76 HydrophobicContact CG2-CE1 4.12Å; V21-F76 HydrophobicContact CG2-CE2 3.79Å; V21-F76 HydrophobicContact CG2-CG 3.86Å; V21-F76 HydrophobicContact CG2-CZ 4.01Å; F24-F76 AromaticContact CD1-CD1 3.72Å; F24-F76 HydrophobicContact CD1-CD1 3.72Å; F24-F76 HydrophobicContact CD1-CE1 4.38Å; F24-F76 AromaticContact CE1-CD1 3.93Å; F24-F76 HydrophobicContact CE1-CD1 3.93Å; F24-F76 HydrophobicContact CE1-CE1 4.45Å; L41-F76 HydrophobicContact CD1-CE2 4.09Å; L41-F76 HydrophobicContact CD1-CZ 3.94Å; F76-Y78 PolarHBondContact O-N 2.72Å; F76-V79 HydrophobicContact CD2-CB 4.13Å; F76-V79 HydrophobicContact CD2-CG1 4.33Å; F76-V79 HydrophobicContact CD2-CG2 4.49Å; F76-V79 HydrophobicContact CE2-CB 4.16Å; F76-V79 HydrophobicContact CE2-CG1 3.89Å; F76-V79 WeakPolarHBondContact O-CB 3.22Å; F76-V79 PolarHBondContact O-N 3.46Å; F76-V79 VanDerWaalsContact O-N 3.07Å; F76-L80 PolarHBondContact O-N 3.41Å; F76-W106 AromaticContact CD2-CE2 3.9Å; F76-W106 HydrophobicContact CD2-CH2 4.04Å; F76-W106 AromaticContact CD2-CZ2 3.56Å; F76-W106 HydrophobicContact CD2-CZ2 3.56Å; F76-W106 HydrophobicContact CE2-CD2 4.39Å; F76-W106 HydrophobicContact CE2-CE3 4.41Å; F76-W106 AromaticContact CE2-CH2 3.73Å; F76-W106 HydrophobicContact CE2-CH2 3.73Å; F76-W106 AromaticContact CE2-CZ2 3.7Å; F76-W106 HydrophobicContact CE2-CZ2 3.7Å; F76-W106 HydrophobicContact CE2-CZ3 4.11Å
77	P	92.2	Very high	91.4	Very high	56 Å²	56	46.3 Å²	46.3	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-56.3	-31.3	174.3	-29.5	36.9	0	0	0	114.5	P73 L75 L80 N81	P73-P77 VanDerWaalsContact O-CD 3.28Å; P73-P77 WeakPolarHBondContact O-CD 3.44Å; L75-P77 VanDerWaalsContact C-CD 3.41Å; P77-L80 PolarHBondContact O-N 3.09Å; P77-N81 WeakPolarHBondContact O-CB 3.13Å; P77-N81 PolarHBondContact O-N 3.46Å
78	Y	91.3	Very high	91.3	Very high	48 Å²	48	45.6 Å²	45.6	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-41.4	176.1	-63.5	-82.5	0	0	0	111.7	L75 F76 N81 F82 H89 M91 L94 F99	L75-Y78 HydrophobicContact CD2-CE2 4.42Å; L75-Y78 WeakPolarHBondContact O-CB 3.31Å; L75-Y78 WeakPolarHBondContact O-CD2 3.31Å; L75-Y78 PolarHBondContact O-N 3.19Å; F76-Y78 PolarHBondContact O-N 2.72Å; Y78-N81 PolarHBondContact O-N 3.28Å; Y78-F82 PolarHBondContact O-N 3.05Å; Y78-H89 VanDerWaalsContact CD1-O 3.26Å; Y78-H89 WeakPolarHBondContact CD1-O 3.44Å; Y78-M91 HydrophobicContact CE1-CG 4.11Å; Y78-M91 HydrophobicContact CE1-SD 4.44Å; Y78-M91 PolarHBondContact OH-SD 2.86Å; Y78-L94 HydrophobicContact CE2-CD1 4.48Å; Y78-L94 HydrophobicContact CE2-CD2 4.17Å; Y78-F99 HydrophobicContact CD1-CE2 4.43Å; Y78-F99 HydrophobicContact CD2-CE2 4.33Å; Y78-F99 AromaticContact CG-CE2 3.94Å; Y78-F99 HydrophobicContact CG-CE2 3.94Å
79	V	92.6	Very high	91	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-46.1	174.6	175.6	0	0	0	0	110.1	L41 F76 N81 F82 Y83 W106 I108	L41-V79 HydrophobicContact CD1-CG1 4.43Å; F76-V79 HydrophobicContact CD2-CB 4.13Å; F76-V79 HydrophobicContact CD2-CG1 4.33Å; F76-V79 HydrophobicContact CD2-CG2 4.49Å; F76-V79 HydrophobicContact CE2-CB 4.16Å; F76-V79 HydrophobicContact CE2-CG1 3.89Å; F76-V79 WeakPolarHBondContact O-CB 3.22Å; F76-V79 PolarHBondContact O-N 3.46Å; F76-V79 VanDerWaalsContact O-N 3.07Å; V79-N81 VanDerWaalsContact C-N 3.35Å; V79-N81 PolarHBondContact O-N 3.29Å; V79-F82 WeakPolarHBondContact O-CB 3.44Å; V79-F82 PolarHBondContact O-N 2.96Å; V79-Y83 HydrophobicContact CG1-CD2 4.22Å; V79-Y83 HydrophobicContact CG1-CE2 3.79Å; V79-Y83 WeakPolarHBondContact O-CD2 3.28Å; V79-Y83 PolarHBondContact O-N 3.25Å; V79-W106 HydrophobicContact CG1-CB 4.28Å; V79-W106 HydrophobicContact CG1-CD2 4.26Å; V79-W106 HydrophobicContact CG1-CG 4.01Å; V79-W106 HydrophobicContact CG2-CB 4.46Å; V79-W106 HydrophobicContact CG2-CG 3.89Å; V79-I108 HydrophobicContact CB-CD1 4.39Å; V79-I108 HydrophobicContact CG1-CD1 3.85Å; V79-I108 HydrophobicContact CG2-CD1 4.39Å
80	L	91.8	Very high	90.6	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-42.5	177.3	-176.6	59.9	0	0	0	112.4	K26 L28 F76 P77 F82 Y83 N84	K26-L80 HydrophobicContact CD-CD2 4.4Å; K26-L80 HydrophobicContact CG-CD2 4.17Å; L28-L80 HydrophobicContact CD2-CD1 3.25Å; F76-L80 PolarHBondContact O-N 3.41Å; P77-L80 PolarHBondContact O-N 3.09Å; L80-F82 VanDerWaalsContact C-N 3.26Å; L80-F82 PolarHBondContact O-N 2.76Å; L80-Y83 PolarHBondContact O-N 3.32Å; L80-N84 PolarHBondContact O-N 3.06Å; L80-N84 PolarHBondContact O-ND2 3.46Å
81	N	91.9	Very high	90	Very high	66 Å²	66	45.2 Å²	45.2	35%	0.353	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-34.3	178.1	-166.9	37.7	0	0	0	111.9	P77 Y78 V79 N84 T85	P77-N81 WeakPolarHBondContact O-CB 3.13Å; P77-N81 PolarHBondContact O-N 3.46Å; Y78-N81 PolarHBondContact O-N 3.28Å; V79-N81 VanDerWaalsContact C-N 3.35Å; V79-N81 PolarHBondContact O-N 3.29Å; N81-N84 PolarHBondContact O-N 3.2Å; N81-T85 WeakPolarHBondContact O-CB 3.23Å; N81-T85 PolarHBondContact O-N 3.05Å; N81-T85 PolarHBondContact O-OG1 2.79Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.16Å
82	F	93.5	Very high	89.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-46.7	172.6	165.7	-99.1	0	0	0	111.9	F36 T39 Y78 V79 L80 N84 T85 G86 L88 I108 F112	F36-F82 HydrophobicContact CB-CE1 4.3Å; F36-F82 HydrophobicContact CD1-CE1 4.16Å; F36-F82 AromaticContact CD1-CZ 3.64Å; F36-F82 HydrophobicContact CD1-CZ 3.64Å; F36-F82 AromaticContact CD2-CE1 3.8Å; F36-F82 HydrophobicContact CD2-CE1 3.8Å; F36-F82 AromaticContact CD2-CZ 3.99Å; F36-F82 HydrophobicContact CD2-CZ 3.99Å; F36-F82 HydrophobicContact CE1-CE1 4.47Å; F36-F82 HydrophobicContact CE1-CE2 4.2Å; F36-F82 AromaticContact CE1-CZ 3.7Å; F36-F82 HydrophobicContact CE1-CZ 3.7Å; F36-F82 HydrophobicContact CE2-CE1 4.13Å; F36-F82 HydrophobicContact CE2-CZ 4.05Å; F36-F82 AromaticContact CG-CE1 3.82Å; F36-F82 HydrophobicContact CG-CE1 3.82Å; F36-F82 AromaticContact CG-CZ 3.8Å; F36-F82 HydrophobicContact CG-CZ 3.8Å; F36-F82 HydrophobicContact CZ-CE1 4.47Å; F36-F82 HydrophobicContact CZ-CE2 4.21Å; F36-F82 AromaticContact CZ-CZ 3.92Å; F36-F82 HydrophobicContact CZ-CZ 3.92Å; T39-F82 HydrophobicContact CG2-CE1 4.27Å; Y78-F82 PolarHBondContact O-N 3.05Å; V79-F82 WeakPolarHBondContact O-CB 3.44Å; V79-F82 PolarHBondContact O-N 2.96Å; L80-F82 VanDerWaalsContact C-N 3.26Å; L80-F82 PolarHBondContact O-N 2.76Å; F82-N84 VanDerWaalsContact C-N 3.27Å; F82-N84 PolarHBondContact O-N 3.31Å; F82-T85 PolarHBondContact O-N 2.86Å; F82-G86 WeakPolarHBondContact O-CA 3.44Å; F82-G86 PolarHBondContact O-N 3.07Å; F82-L88 HydrophobicContact CB-CD1 4.11Å; F82-L88 HydrophobicContact CD2-CB 4.47Å; F82-I108 HydrophobicContact CB-CD1 4.41Å; F82-I108 HydrophobicContact CD1-CD1 3.46Å; F82-I108 VanDerWaalsContact CD1-CD1 3.46Å; F82-I108 HydrophobicContact CD1-CG1 3.88Å; F82-I108 HydrophobicContact CD1-CG2 4.1Å; F82-I108 HydrophobicContact CD2-CG2 4.17Å; F82-I108 HydrophobicContact CE1-CD1 3.97Å; F82-I108 HydrophobicContact CE1-CG1 3.84Å; F82-I108 HydrophobicContact CE1-CG2 3.99Å; F82-I108 HydrophobicContact CE2-CG2 4.08Å; F82-I108 HydrophobicContact CG-CD1 4.06Å; F82-I108 HydrophobicContact CG-CG2 4.18Å; F82-I108 HydrophobicContact CZ-CG2 3.98Å; F82-F112 HydrophobicContact CD2-CB 4.12Å; F82-F112 HydrophobicContact CD2-CG 4.48Å; F82-F112 HydrophobicContact CE2-CB 3.58Å; F82-F112 AromaticContact CE2-CD1 3.88Å; F82-F112 HydrophobicContact CE2-CD1 3.88Å; F82-F112 AromaticContact CE2-CD2 3.82Å; F82-F112 HydrophobicContact CE2-CD2 3.82Å; F82-F112 HydrophobicContact CE2-CE2 4.49Å; 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-CB 4.5Å; F82-F112 HydrophobicContact CZ-CD1 4.41Å; F82-F112 AromaticContact CZ-CD2 3.91Å; F82-F112 HydrophobicContact CZ-CD2 3.91Å; F82-F112 HydrophobicContact CZ-CE2 4.22Å; F82-F112 HydrophobicContact CZ-CG 4.03Å
83	Y	91.1	Very high	88.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-34.6	176.9	-77	-77.4	0	0	0	113.1	T32 L33 R35 F36 T39 L41 V79 L80	T32-Y83 VanDerWaalsContact CG2-O 3.25Å; T32-Y83 WeakPolarHBondContact CG2-O 3.4Å; L33-Y83 HydrophobicContact CD2-CD1 3.71Å; L33-Y83 HydrophobicContact CD2-CD2 4.47Å; L33-Y83 HydrophobicContact CD2-CE1 3.58Å; L33-Y83 HydrophobicContact CD2-CE2 4.39Å; L33-Y83 HydrophobicContact CD2-CG 4.16Å; R35-Y83 PolarHBondContact NH1-O 3.37Å; R35-Y83 VanDerWaalsContact NH1-O 3.15Å; F36-Y83 HydrophobicContact CB-CE1 4.24Å; F36-Y83 AromaticContact CD2-CD1 3.96Å; F36-Y83 HydrophobicContact CD2-CD1 3.96Å; F36-Y83 HydrophobicContact CD2-CE1 4.33Å; T39-Y83 WeakPolarHBondContact CB-OH 3.27Å; T39-Y83 WeakPolarHBondContact OG1-CE1 3.44Å; T39-Y83 PolarHBondContact OG1-OH 2.85Å; L41-Y83 HydrophobicContact CB-CE2 4.47Å; L41-Y83 WeakPolarHBondContact CB-OH 3.42Å; L41-Y83 HydrophobicContact CD1-CD2 4.43Å; L41-Y83 HydrophobicContact CD1-CE2 3.71Å; V79-Y83 HydrophobicContact CG1-CD2 4.22Å; V79-Y83 HydrophobicContact CG1-CE2 3.79Å; V79-Y83 WeakPolarHBondContact O-CD2 3.28Å; V79-Y83 PolarHBondContact O-N 3.25Å; L80-Y83 PolarHBondContact O-N 3.32Å
84	N	90.3	Very high	88.1	Confident	91 Å²	91	48 Å²	48	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-73.2	-48.9	178.3	-66.3	-28.6	0	0	0	111.9	R35 L80 N81 F82	R35-N84 PolarHBondContact NH1-O 3.3Å; L80-N84 PolarHBondContact O-N 3.06Å; L80-N84 PolarHBondContact O-ND2 3.46Å; N81-N84 PolarHBondContact O-N 3.2Å; F82-N84 VanDerWaalsContact C-N 3.27Å; F82-N84 PolarHBondContact O-N 3.31Å
85	T	90.2	Very high	87.7	Confident	63 Å²	63	47.6 Å²	47.6	39%	0.387	25%	0.254	S	S	.	.	H	α-helix	trans	-98.1	-21.6	-168.4	63.6	0	0	0	0	114.1	N81 F82 R87	N81-T85 WeakPolarHBondContact O-CB 3.23Å; N81-T85 PolarHBondContact O-N 3.05Å; N81-T85 PolarHBondContact O-OG1 2.79Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.16Å; F82-T85 PolarHBondContact O-N 2.86Å; T85-R87 PolarHBondContact O-N 3.21Å; T85-R87 PolarHBondContact OG1-N 3.3Å; T85-R87 PolarHBondContact OG1-O 3.36Å
86	G	87.4	Confident	87.4	Confident	16 Å²	16	48 Å²	48	17%	0.165	26%	0.256	C	S	.	.	S	Bend	trans	71.9	8.5	-169.7	0	0	0	0	0	114.6	F82	F82-G86 WeakPolarHBondContact O-CA 3.44Å; F82-G86 PolarHBondContact O-N 3.07Å
87	R	88.9	Confident	86.8	Confident	141 Å²	141	52.4 Å²	52.4	53%	0.532	28%	0.275	S	S	.	.			trans	-130.5	139.8	-179.7	-62.6	-167.7	-69.7	-153.8	-8.4	110.5	T85 D114	T85-R87 PolarHBondContact O-N 3.21Å; T85-R87 PolarHBondContact OG1-N 3.3Å; T85-R87 PolarHBondContact OG1-O 3.36Å; R87-D114 HydrophobicContact CB-CB 4.49Å; R87-D114 WeakPolarHBondContact CD-OD2 3.43Å; R87-D114 IonicContact CZ-OD2 3.31Å; R87-D114 IonicContact NE-OD2 3.79Å; R87-D114 PolarHBondContact NE-OD2 2.94Å; R87-D114 IonicContact NH1-OD2 2.85Å
88	L	90.3	Very high	86.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-101.5	123.5	-179.5	-169.5	68.7	0	0	0	109.3	F82 F99 I103 I108 F112 I113 D114	F82-L88 HydrophobicContact CB-CD1 4.11Å; F82-L88 HydrophobicContact CD2-CB 4.47Å; L88-F99 HydrophobicContact CD1-CZ 3.99Å; L88-F99 HydrophobicContact CD2-CE1 4.08Å; L88-F99 HydrophobicContact CD2-CZ 3.88Å; L88-F99 HydrophobicContact CG-CZ 3.99Å; L88-I103 HydrophobicContact CD2-CD1 4.29Å; L88-I103 HydrophobicContact CD2-CG2 3.92Å; L88-I108 HydrophobicContact CD2-CG2 4.47Å; L88-F112 PolarHBondContact N-O 2.9Å; L88-I113 HydrophobicContact CB-CG1 4.26Å; L88-I113 HydrophobicContact CD2-CG1 3.77Å; L88-I113 HydrophobicContact CG-CG1 4.31Å; L88-I113 WeakPolarHBondContact O-CA 3.49Å; L88-D114 PolarHBondContact O-N 3.46Å
89	H	88.5	Confident	86.3	Confident	61 Å²	61	49.3 Å²	49.3	28%	0.282	26%	0.261	S	S	.	.			trans	-115.2	139.3	176.5	-66.2	-74.1	0	0	0	109.7	Y78 D114 C116	Y78-H89 VanDerWaalsContact CD1-O 3.26Å; Y78-H89 WeakPolarHBondContact CD1-O 3.44Å; H89-D114 VanDerWaalsContact CE1-CB 3.45Å; H89-D114 WeakPolarHBondContact CE1-CB 3.31Å; H89-D114 IonicContact CE1-OD2 3.98Å; H89-D114 PolarHBondContact CE1-OD2 3.03Å; H89-D114 IonicContact NE2-OD2 2.76Å; H89-C116 VanDerWaalsContact CE1-SG 3.56Å; H89-C116 PolarHBondContact ND1-SG 2.99Å
90	V	84.8	Confident	86.1	Confident	17 Å²	17	50.2 Å²	50.2	10%	0.103	27%	0.268	C	S	.	.			trans	-123	128	-175.7	-168.3	0	0	0	0	109.2	L94 F99 C117 Y121	V90-L94 HydrophobicContact CG1-CD2 4.18Å; V90-F99 HydrophobicContact CB-CE1 4.37Å; V90-F99 HydrophobicContact CG1-CD1 4.12Å; V90-F99 HydrophobicContact CG1-CE1 4.1Å; V90-F99 HydrophobicContact CG2-CD1 4.17Å; V90-F99 HydrophobicContact CG2-CE1 3.37Å; V90-F99 HydrophobicContact CG2-CZ 3.71Å; V90-C117 HydrophobicContact CB-CB 4.38Å; V90-C117 PolarHBondContact N-SG 3.32Å; V90-C117 PolarHBondContact O-SG 3.12Å; V90-C117 VanDerWaalsContact O-SG 3.39Å; V90-Y121 HydrophobicContact CG1-CD2 4.35Å; V90-Y121 HydrophobicContact CG2-CD2 4.02Å
91	M	81.6	Confident	85.8	Confident	106 Å²	106	53.4 Å²	53.4	52%	0.522	28%	0.282	S	S	.	.			trans	-78.9	159.2	178.3	-70	-176.7	72.6	0	0	112.2	Y78 E93 R124	Y78-M91 HydrophobicContact CE1-CG 4.11Å; Y78-M91 HydrophobicContact CE1-SD 4.44Å; Y78-M91 PolarHBondContact OH-SD 2.86Å; M91-E93 PolarHBondContact O-N 3.26Å; M91-R124 PolarHBondContact O-NH1 2.91Å
92	A	72.6	Confident	85.8	Confident	61 Å²	61	50.8 Å²	50.8	50%	0.504	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-30.4	-174	0	0	0	0	0	113.4	L94 R124	A92-L94 VanDerWaalsContact C-N 3.31Å; A92-L94 PolarHBondContact O-N 3.2Å; A92-R124 PolarHBondContact O-NH1 3.42Å
93	E	77.2	Confident	85.6	Confident	149 Å²	149	50.9 Å²	50.9	70%	0.696	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.2	-173.4	-57.5	72.6	-157.3	0	0	112.8	M91	M91-E93 PolarHBondContact O-N 3.26Å
94	L	82.3	Confident	85.6	Confident	35 Å²	35	57.7 Å²	57.7	18%	0.183	30%	0.3	C	S	.	.	S	Bend	trans	-77.9	137.3	-176.8	-159.8	65.5	0	0	0	111.6	L75 Y78 V90 A92 I96 F99	L75-L94 HydrophobicContact CD2-CD1 3.35Å; L75-L94 HydrophobicContact CD2-CD2 4.06Å; L75-L94 HydrophobicContact CD2-CG 4.12Å; Y78-L94 HydrophobicContact CE2-CD1 4.48Å; Y78-L94 HydrophobicContact CE2-CD2 4.17Å; V90-L94 HydrophobicContact CG1-CD2 4.18Å; A92-L94 VanDerWaalsContact C-N 3.31Å; A92-L94 PolarHBondContact O-N 3.2Å; L94-I96 PolarHBondContact O-N 3.22Å; L94-F99 HydrophobicContact CD2-CB 3.63Å; L94-F99 HydrophobicContact CD2-CD1 4.49Å; L94-F99 HydrophobicContact CD2-CD2 3.33Å; L94-F99 HydrophobicContact CD2-CE2 4.06Å; L94-F99 HydrophobicContact CD2-CG 3.56Å; L94-F99 HydrophobicContact CG-CB 4.21Å
95	C	81.1	Confident	85.7	Confident	58 Å²	58	55 Å²	55	39%	0.392	28%	0.284	S	S	.	.			trans	-66.1	116.9	170.3	180	0	0	0	0	110	F97 S98 F99	C95-F97 VanDerWaalsContact C-N 3.35Å; C95-F97 PolarHBondContact O-N 3.21Å; C95-S98 PolarHBondContact O-N 3.3Å; C95-F99 WeakPolarHBondContact O-CB 3.34Å; C95-F99 PolarHBondContact O-N 3.01Å; C95-F99 VanDerWaalsContact O-N 3.09Å
96	I	84.2	Confident	85.8	Confident	16 Å²	16	52 Å²	52	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-40.4	-175	-162.2	71.1	0	0	0	112.5	L94 F99 S100 Y121 R124 K125	L94-I96 PolarHBondContact O-N 3.22Å; I96-F99 PolarHBondContact O-N 3.23Å; I96-S100 VanDerWaalsContact O-CB 3.31Å; I96-S100 WeakPolarHBondContact O-CB 3.18Å; I96-S100 PolarHBondContact O-N 3.24Å; I96-Y121 HydrophobicContact CD1-CD2 3.1Å; I96-Y121 HydrophobicContact CD1-CE2 3.28Å; I96-Y121 HydrophobicContact CD1-CG 3.86Å; I96-Y121 HydrophobicContact CG1-CD2 4.27Å; I96-Y121 HydrophobicContact CG1-CE2 4.08Å; I96-R124 HydrophobicContact CB-CB 4.35Å; I96-R124 HydrophobicContact CD1-CB 4.38Å; I96-R124 HydrophobicContact CG1-CB 4.19Å; I96-R124 HydrophobicContact CG2-CB 4.43Å; I96-K125 HydrophobicContact CG1-CB 4.29Å
97	F	80.1	Confident	85.9	Confident	91 Å²	91	53.1 Å²	53.1	40%	0.399	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-53.2	178.9	-179.7	-105.4	0	0	0	112.3	C95 F99 S100 Q101	C95-F97 VanDerWaalsContact C-N 3.35Å; C95-F97 PolarHBondContact O-N 3.21Å; F97-F99 PolarHBondContact O-N 3.08Å; F97-S100 PolarHBondContact O-N 2.87Å; F97-Q101 VanDerWaalsContact CE1-CD 3.45Å; F97-Q101 HydrophobicContact CE1-CG 4.41Å; F97-Q101 VanDerWaalsContact CE1-NE2 3.34Å; F97-Q101 HydrophobicContact CZ-CG 4.35Å; F97-Q101 WeakPolarHBondContact O-CG 3.27Å; F97-Q101 PolarHBondContact O-N 2.96Å
98	S	84.1	Confident	86	Confident	38 Å²	38	46.7 Å²	46.7	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-37.1	179.8	-178.7	0	0	0	0	111.2	L75 C95 E102	L75-S98 WeakPolarHBondContact CD1-OG 3.49Å; C95-S98 PolarHBondContact O-N 3.3Å; S98-E102 WeakPolarHBondContact O-CG 3.27Å; S98-E102 PolarHBondContact O-N 3.35Å; S98-E102 VanDerWaalsContact O-N 3.13Å
99	F	88.3	Confident	85.7	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-41.9	176.6	-178.3	-102.1	0	0	0	112.7	Y78 L88 V90 L94 C95 I96 F97 Q101 E102 I103 Y121	Y78-F99 HydrophobicContact CD1-CE2 4.43Å; Y78-F99 HydrophobicContact CD2-CE2 4.33Å; Y78-F99 AromaticContact CG-CE2 3.94Å; Y78-F99 HydrophobicContact CG-CE2 3.94Å; L88-F99 HydrophobicContact CD1-CZ 3.99Å; L88-F99 HydrophobicContact CD2-CE1 4.08Å; L88-F99 HydrophobicContact CD2-CZ 3.88Å; L88-F99 HydrophobicContact CG-CZ 3.99Å; V90-F99 HydrophobicContact CB-CE1 4.37Å; V90-F99 HydrophobicContact CG1-CD1 4.12Å; V90-F99 HydrophobicContact CG1-CE1 4.1Å; V90-F99 HydrophobicContact CG2-CD1 4.17Å; V90-F99 HydrophobicContact CG2-CE1 3.37Å; V90-F99 HydrophobicContact CG2-CZ 3.71Å; L94-F99 HydrophobicContact CD2-CB 3.63Å; L94-F99 HydrophobicContact CD2-CD1 4.49Å; L94-F99 HydrophobicContact CD2-CD2 3.33Å; L94-F99 HydrophobicContact CD2-CE2 4.06Å; L94-F99 HydrophobicContact CD2-CG 3.56Å; L94-F99 HydrophobicContact CG-CB 4.21Å; C95-F99 WeakPolarHBondContact O-CB 3.34Å; C95-F99 PolarHBondContact O-N 3.01Å; C95-F99 VanDerWaalsContact O-N 3.09Å; I96-F99 PolarHBondContact O-N 3.23Å; F97-F99 PolarHBondContact O-N 3.08Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.47Å; F99-E102 WeakPolarHBondContact O-CB 3.39Å; F99-E102 PolarHBondContact O-N 3.18Å; F99-E102 VanDerWaalsContact O-N 3.15Å; F99-I103 HydrophobicContact CD1-CD1 4.26Å; F99-I103 HydrophobicContact CD1-CG2 4.34Å; F99-I103 HydrophobicContact CD2-CG2 4.44Å; F99-I103 HydrophobicContact CE1-CD1 4Å; F99-I103 HydrophobicContact CE1-CG2 3.85Å; F99-I103 HydrophobicContact CE2-CG2 3.98Å; F99-I103 HydrophobicContact CZ-CG2 3.68Å; F99-I103 WeakPolarHBondContact O-CG1 3.22Å; F99-I103 PolarHBondContact O-N 2.75Å; F99-Y121 AromaticContact CD1-CE2 3.88Å; F99-Y121 HydrophobicContact CD1-CE2 3.88Å; F99-Y121 HydrophobicContact CE1-CE2 4.14Å
100	S	87.6	Confident	85.5	Confident	21 Å²	21	50 Å²	50	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-44.3	175.6	177.2	0	0	0	0	111.6	I96 F97 E102 I103 E104	I96-S100 VanDerWaalsContact O-CB 3.31Å; I96-S100 WeakPolarHBondContact O-CB 3.18Å; I96-S100 PolarHBondContact O-N 3.24Å; F97-S100 PolarHBondContact O-N 2.87Å; S100-E102 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 3.26Å; S100-I103 WeakPolarHBondContact O-CG1 3.41Å; S100-I103 PolarHBondContact O-N 3.21Å; S100-E104 WeakPolarHBondContact O-CB 3.37Å; S100-E104 PolarHBondContact O-N 3.01Å
101	Q	86.6	Confident	85.4	Confident	89 Å²	89	57.9 Å²	57.9	42%	0.416	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-34.9	174.9	-70.7	-174.9	-33	0	0	113.2	R71 F97 F99 Y105	R71-Q101 PolarHBondContact NH2-O 2.67Å; F97-Q101 VanDerWaalsContact CE1-CD 3.45Å; F97-Q101 HydrophobicContact CE1-CG 4.41Å; F97-Q101 VanDerWaalsContact CE1-NE2 3.34Å; F97-Q101 HydrophobicContact CZ-CG 4.35Å; F97-Q101 WeakPolarHBondContact O-CG 3.27Å; F97-Q101 PolarHBondContact O-N 2.96Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.47Å; Q101-Y105 VanDerWaalsContact O-CB 3.24Å; Q101-Y105 WeakPolarHBondContact O-CB 3.13Å; Q101-Y105 PolarHBondContact O-N 2.78Å
102	E	90.4	Very high	85.6	Confident	11 Å²	11	56.7 Å²	56.7	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-53.4	174.2	-77.3	-58.9	131.2	0	0	111.1	R71 L75 S98 F99 S100 E104 Y105 W106	R71-E102 IonicContact CZ-OE1 2.67Å; R71-E102 IonicContact NE-OE1 2.79Å; R71-E102 PolarHBondContact NE-OE1 3.05Å; R71-E102 IonicContact NE-OE2 2.73Å; R71-E102 VanDerWaalsContact NH2-CD 3.28Å; R71-E102 IonicContact NH2-OE1 2.66Å; R71-E102 PolarHBondContact NH2-OE1 2.78Å; R71-E102 IonicContact NH2-OE2 3.6Å; L75-E102 HydrophobicContact CB-CG 3.9Å; L75-E102 HydrophobicContact CD1-CB 4.49Å; L75-E102 HydrophobicContact CD1-CG 3.43Å; L75-E102 VanDerWaalsContact CD1-CG 3.43Å; L75-E102 HydrophobicContact CG-CG 4.28Å; S98-E102 WeakPolarHBondContact O-CG 3.27Å; S98-E102 PolarHBondContact O-N 3.35Å; S98-E102 VanDerWaalsContact O-N 3.13Å; F99-E102 WeakPolarHBondContact O-CB 3.39Å; F99-E102 PolarHBondContact O-N 3.18Å; F99-E102 VanDerWaalsContact O-N 3.15Å; S100-E102 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 3.26Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 PolarHBondContact O-N 3.2Å; E102-Y105 WeakPolarHBondContact O-CB 3.45Å; E102-Y105 PolarHBondContact O-N 3.39Å; E102-Y105 VanDerWaalsContact O-N 3.08Å; E102-W106 PolarHBondContact O-N 2.61Å; E102-W106 PolarHBondContact OE2-NE1 3.39Å
103	I	90.9	Very high	86.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-35.4	-176.5	61.6	-177.9	0	0	0	112.1	L88 F99 S100 W106 G107 I108 E110	L88-I103 HydrophobicContact CD2-CD1 4.29Å; L88-I103 HydrophobicContact CD2-CG2 3.92Å; F99-I103 HydrophobicContact CD1-CD1 4.26Å; F99-I103 HydrophobicContact CD1-CG2 4.34Å; F99-I103 HydrophobicContact CD2-CG2 4.44Å; F99-I103 HydrophobicContact CE1-CD1 4Å; F99-I103 HydrophobicContact CE1-CG2 3.85Å; F99-I103 HydrophobicContact CE2-CG2 3.98Å; F99-I103 HydrophobicContact CZ-CG2 3.68Å; F99-I103 WeakPolarHBondContact O-CG1 3.22Å; F99-I103 PolarHBondContact O-N 2.75Å; S100-I103 WeakPolarHBondContact O-CG1 3.41Å; S100-I103 PolarHBondContact O-N 3.21Å; I103-W106 PolarHBondContact O-N 3.33Å; I103-G107 PolarHBondContact O-N 3.37Å; I103-G107 VanDerWaalsContact O-N 3.12Å; I103-I108 HydrophobicContact CB-CB 4.44Å; I103-I108 PolarHBondContact O-N 3.18Å; I103-E110 HydrophobicContact CD1-CG 4.01Å
104	E	90.5	Very high	86.7	Confident	146 Å²	146	48.8 Å²	48.8	68%	0.682	25%	0.25	S	C	*	.	H	α-helix	trans	-63.5	-46.9	171.6	-176	177.3	-166.1	0	0	111.4	S100 E102 W106 G107	S100-E104 WeakPolarHBondContact O-CB 3.37Å; S100-E104 PolarHBondContact O-N 3.01Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 PolarHBondContact O-N 3.2Å; E104-W106 VanDerWaalsContact C-N 3.31Å; E104-W106 PolarHBondContact O-N 2.75Å; E104-G107 PolarHBondContact O-N 2.71Å
105	Y	91.9	Very high	86.6	Confident	35 Å²	35	51.8 Å²	51.8	14%	0.137	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-46	175.7	176.9	-95.2	0	0	0	111.7	R40 F69 R71 Q101 E102 G107	R40-Y105 PolarHBondContact NE-O 3Å; R40-Y105 PolarHBondContact NH1-OH 2.92Å; R40-Y105 PolarHBondContact NH2-O 3.29Å; F69-Y105 HydrophobicContact CD1-CE1 4.24Å; R71-Y105 HydrophobicContact CG-CD1 4.24Å; R71-Y105 HydrophobicContact CG-CE1 3.76Å; Q101-Y105 VanDerWaalsContact O-CB 3.24Å; Q101-Y105 WeakPolarHBondContact O-CB 3.13Å; Q101-Y105 PolarHBondContact O-N 2.78Å; E102-Y105 WeakPolarHBondContact O-CB 3.45Å; E102-Y105 PolarHBondContact O-N 3.39Å; E102-Y105 VanDerWaalsContact O-N 3.08Å; Y105-G107 PolarHBondContact O-N 3.09Å
106	W	93.3	Very high	86.8	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.8	178.8	-62.8	110	0	0	0	113.9	V21 R40 L41 F69 R71 F76 V79 E102 I103 E104 I108	V21-W106 HydrophobicContact CG1-CH2 4.38Å; V21-W106 HydrophobicContact CG1-CZ2 3.99Å; V21-W106 HydrophobicContact CG2-CH2 3.92Å; V21-W106 HydrophobicContact CG2-CZ2 4.25Å; R40-W106 PolarHBondContact N-O 2.81Å; L41-W106 HydrophobicContact CD1-CE3 4.3Å; L41-W106 HydrophobicContact CD1-CZ3 4.33Å; L41-W106 HydrophobicContact CD2-CE3 4.15Å; L41-W106 HydrophobicContact CD2-CZ3 3.61Å; L41-W106 HydrophobicContact CG-CE3 3.91Å; L41-W106 HydrophobicContact CG-CZ3 3.9Å; F69-W106 HydrophobicContact CB-CH2 4.07Å; F69-W106 AromaticContact CD1-CH2 3.82Å; F69-W106 HydrophobicContact CD1-CH2 3.82Å; F69-W106 HydrophobicContact CD1-CZ3 4Å; F69-W106 AromaticContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CH2 3.91Å; F69-W106 HydrophobicContact CD2-CZ3 4.31Å; F69-W106 HydrophobicContact CE1-CH2 4.12Å; F69-W106 AromaticContact CE1-CZ3 3.82Å; F69-W106 HydrophobicContact CE1-CZ3 3.82Å; F69-W106 HydrophobicContact CE2-CH2 4.22Å; F69-W106 HydrophobicContact CE2-CZ3 4.17Å; F69-W106 AromaticContact CG-CH2 3.67Å; F69-W106 HydrophobicContact CG-CH2 3.67Å; F69-W106 HydrophobicContact CG-CZ3 4.21Å; F69-W106 HydrophobicContact CZ-CH2 4.3Å; F69-W106 AromaticContact CZ-CZ3 3.9Å; F69-W106 HydrophobicContact CZ-CZ3 3.9Å; R71-W106 HydrophobicContact CB-CZ2 4.42Å; R71-W106 HydrophobicContact CG-CZ2 4.32Å; F76-W106 AromaticContact CD2-CE2 3.9Å; F76-W106 HydrophobicContact CD2-CH2 4.04Å; F76-W106 AromaticContact CD2-CZ2 3.56Å; F76-W106 HydrophobicContact CD2-CZ2 3.56Å; F76-W106 HydrophobicContact CE2-CD2 4.39Å; F76-W106 HydrophobicContact CE2-CE3 4.41Å; F76-W106 AromaticContact CE2-CH2 3.73Å; F76-W106 HydrophobicContact CE2-CH2 3.73Å; F76-W106 AromaticContact CE2-CZ2 3.7Å; F76-W106 HydrophobicContact CE2-CZ2 3.7Å; F76-W106 HydrophobicContact CE2-CZ3 4.11Å; V79-W106 HydrophobicContact CG1-CB 4.28Å; V79-W106 HydrophobicContact CG1-CD2 4.26Å; V79-W106 HydrophobicContact CG1-CG 4.01Å; V79-W106 HydrophobicContact CG2-CB 4.46Å; V79-W106 HydrophobicContact CG2-CG 3.89Å; E102-W106 PolarHBondContact O-N 2.61Å; E102-W106 PolarHBondContact OE2-NE1 3.39Å; I103-W106 PolarHBondContact O-N 3.33Å; E104-W106 VanDerWaalsContact C-N 3.31Å; E104-W106 PolarHBondContact O-N 2.75Å; W106-I108 VanDerWaalsContact C-N 3.35Å; W106-I108 HydrophobicContact CB-CD1 4.16Å; W106-I108 HydrophobicContact CB-CG1 4.28Å
107	G	88.5	Confident	86.9	Confident	39 Å²	39	53.1 Å²	53.1	40%	0.402	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	27.5	-179.7	0	0	0	0	0	113.3	I103 E104 Y105	I103-G107 PolarHBondContact O-N 3.37Å; I103-G107 VanDerWaalsContact O-N 3.12Å; E104-G107 PolarHBondContact O-N 2.71Å; Y105-G107 PolarHBondContact O-N 3.09Å
108	I	91.4	Very high	87	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	28%	0.276	C	S	.	.			trans	-95.4	122.2	177.9	-61.4	170.5	0	0	0	108.5	T39 V79 F82 L88 I103 W106 F112	T39-I108 HydrophobicContact CG2-CG1 4.04Å; V79-I108 HydrophobicContact CB-CD1 4.39Å; V79-I108 HydrophobicContact CG1-CD1 3.85Å; V79-I108 HydrophobicContact CG2-CD1 4.39Å; F82-I108 HydrophobicContact CB-CD1 4.41Å; F82-I108 HydrophobicContact CD1-CD1 3.46Å; F82-I108 VanDerWaalsContact CD1-CD1 3.46Å; F82-I108 HydrophobicContact CD1-CG1 3.88Å; F82-I108 HydrophobicContact CD1-CG2 4.1Å; F82-I108 HydrophobicContact CD2-CG2 4.17Å; F82-I108 HydrophobicContact CE1-CD1 3.97Å; F82-I108 HydrophobicContact CE1-CG1 3.84Å; F82-I108 HydrophobicContact CE1-CG2 3.99Å; F82-I108 HydrophobicContact CE2-CG2 4.08Å; F82-I108 HydrophobicContact CG-CD1 4.06Å; F82-I108 HydrophobicContact CG-CG2 4.18Å; F82-I108 HydrophobicContact CZ-CG2 3.98Å; L88-I108 HydrophobicContact CD2-CG2 4.47Å; I103-I108 HydrophobicContact CB-CB 4.44Å; I103-I108 PolarHBondContact O-N 3.18Å; W106-I108 VanDerWaalsContact C-N 3.35Å; W106-I108 HydrophobicContact CB-CD1 4.16Å; W106-I108 HydrophobicContact CB-CG1 4.28Å; I108-F112 HydrophobicContact CG2-CD2 4.24Å
109	N	84.5	Confident	86.7	Confident	78 Å²	78	52.5 Å²	52.5	42%	0.417	29%	0.291	S	S	.	.			trans	-72.5	139.3	-179.9	-163.7	-50.3	0	0	0	111.6	F111 F112	N109-F111 WeakPolarHBondContact ND2-CD2 3.27Å; N109-F111 PolarHBondContact O-N 3.29Å; N109-F111 VanDerWaalsContact O-N 3.13Å; N109-F111 WeakPolarHBondContact OD1-CD2 3.49Å; N109-F111 WeakPolarHBondContact OD1-CG 3.21Å; N109-F111 PolarHBondContact OD1-N 2.91Å; N109-F112 HydrophobicContact CB-CD2 3.95Å; N109-F112 HydrophobicContact CB-CE2 3.95Å; N109-F112 VanDerWaalsContact O-CD2 3.27Å; N109-F112 WeakPolarHBondContact O-CD2 3.34Å; N109-F112 PolarHBondContact O-N 2.7Å; N109-F112 VanDerWaalsContact O-N 3.09Å
110	E	84	Confident	86.3	Confident	51 Å²	51	54.3 Å²	54.3	24%	0.238	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-59.3	-21.9	176	-55.2	-167.6	147.5	0	0	113.2	I103 F112 I113 Y121 K125	I103-E110 HydrophobicContact CD1-CG 4.01Å; E110-F112 PolarHBondContact O-N 2.94Å; E110-F112 VanDerWaalsContact O-N 3.09Å; E110-I113 HydrophobicContact CB-CD1 4.21Å; E110-I113 WeakPolarHBondContact O-CB 3.12Å; E110-I113 WeakPolarHBondContact O-CD1 3.26Å; E110-I113 WeakPolarHBondContact O-CG1 3.5Å; E110-I113 PolarHBondContact O-N 2.98Å; E110-Y121 PolarHBondContact OE1-OH 2.85Å; E110-K125 IonicContact OE1-NZ 2.91Å; E110-K125 PolarHBondContact OE1-NZ 2.97Å; E110-K125 IonicContact OE2-NZ 2.82Å; E110-K125 PolarHBondContact OE2-NZ 2.73Å
111	F	82.2	Confident	86.1	Confident	183 Å²	183	53.4 Å²	53.4	80%	0.803	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.9	-17.9	173.8	-64.5	-51.7	0	0	0	113.9	N109 I113	N109-F111 WeakPolarHBondContact ND2-CD2 3.27Å; N109-F111 PolarHBondContact O-N 3.29Å; N109-F111 VanDerWaalsContact O-N 3.13Å; N109-F111 WeakPolarHBondContact OD1-CD2 3.49Å; N109-F111 WeakPolarHBondContact OD1-CG 3.21Å; N109-F111 PolarHBondContact OD1-N 2.91Å; F111-I113 VanDerWaalsContact C-N 3.26Å; F111-I113 PolarHBondContact O-N 2.9Å
112	F	85.8	Confident	85.7	Confident	81 Å²	81	52.8 Å²	52.8	36%	0.355	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-81.6	-1.5	176.5	-65.7	-67.6	0	0	0	113.9	F36 F82 L88 I108 N109 E110 D114	F36-F112 HydrophobicContact CD1-CZ 4.47Å; F36-F112 HydrophobicContact CE1-CE1 4.23Å; F36-F112 HydrophobicContact CE1-CZ 4.44Å; F82-F112 HydrophobicContact CD2-CB 4.12Å; F82-F112 HydrophobicContact CD2-CG 4.48Å; F82-F112 HydrophobicContact CE2-CB 3.58Å; F82-F112 AromaticContact CE2-CD1 3.88Å; F82-F112 HydrophobicContact CE2-CD1 3.88Å; F82-F112 AromaticContact CE2-CD2 3.82Å; F82-F112 HydrophobicContact CE2-CD2 3.82Å; F82-F112 HydrophobicContact CE2-CE2 4.49Å; 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-CB 4.5Å; F82-F112 HydrophobicContact CZ-CD1 4.41Å; F82-F112 AromaticContact CZ-CD2 3.91Å; F82-F112 HydrophobicContact CZ-CD2 3.91Å; F82-F112 HydrophobicContact CZ-CE2 4.22Å; F82-F112 HydrophobicContact CZ-CG 4.03Å; L88-F112 PolarHBondContact N-O 2.9Å; I108-F112 HydrophobicContact CG2-CD2 4.24Å; N109-F112 HydrophobicContact CB-CD2 3.95Å; N109-F112 HydrophobicContact CB-CE2 3.95Å; N109-F112 VanDerWaalsContact O-CD2 3.27Å; N109-F112 WeakPolarHBondContact O-CD2 3.34Å; N109-F112 PolarHBondContact O-N 2.7Å; N109-F112 VanDerWaalsContact O-N 3.09Å; E110-F112 PolarHBondContact O-N 2.94Å; E110-F112 VanDerWaalsContact O-N 3.09Å; F112-D114 PolarHBondContact O-N 3.01Å
113	I	87.4	Confident	85	Confident	13 Å²	13	56 Å²	56	7%	0.067	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-68.8	123.6	175.1	-61.9	169.3	0	0	0	109.6	L88 E110 F111 C117 Y121	L88-I113 HydrophobicContact CB-CG1 4.26Å; L88-I113 HydrophobicContact CD2-CG1 3.77Å; L88-I113 HydrophobicContact CG-CG1 4.31Å; L88-I113 WeakPolarHBondContact O-CA 3.49Å; E110-I113 HydrophobicContact CB-CD1 4.21Å; E110-I113 WeakPolarHBondContact O-CB 3.12Å; E110-I113 WeakPolarHBondContact O-CD1 3.26Å; E110-I113 WeakPolarHBondContact O-CG1 3.5Å; E110-I113 PolarHBondContact O-N 2.98Å; F111-I113 VanDerWaalsContact C-N 3.26Å; F111-I113 PolarHBondContact O-N 2.9Å; I113-C117 HydrophobicContact CG2-CB 3.98Å; I113-Y121 HydrophobicContact CD1-CD1 3.44Å; I113-Y121 VanDerWaalsContact CD1-CD1 3.44Å; I113-Y121 HydrophobicContact CD1-CD2 3.89Å; I113-Y121 HydrophobicContact CD1-CE1 3.48Å; I113-Y121 VanDerWaalsContact CD1-CE1 3.48Å; I113-Y121 HydrophobicContact CD1-CE2 3.98Å; I113-Y121 HydrophobicContact CD1-CG 3.67Å
114	D	85.8	Confident	84.3	Confident	32 Å²	32	59.6 Å²	59.6	17%	0.171	33%	0.332	C	S	.	.			trans	-67.9	151.4	-179.8	-157.4	-29.8	0	0	0	111.3	R87 L88 H89 F112 C116 C117 S118	R87-D114 HydrophobicContact CB-CB 4.49Å; R87-D114 WeakPolarHBondContact CD-OD2 3.43Å; R87-D114 IonicContact CZ-OD2 3.31Å; R87-D114 IonicContact NE-OD2 3.79Å; R87-D114 PolarHBondContact NE-OD2 2.94Å; R87-D114 IonicContact NH1-OD2 2.85Å; L88-D114 PolarHBondContact O-N 3.46Å; H89-D114 VanDerWaalsContact CE1-CB 3.45Å; H89-D114 WeakPolarHBondContact CE1-CB 3.31Å; H89-D114 IonicContact CE1-OD2 3.98Å; H89-D114 PolarHBondContact CE1-OD2 3.03Å; H89-D114 IonicContact NE2-OD2 2.76Å; F112-D114 PolarHBondContact O-N 3.01Å; D114-C116 PolarHBondContact O-N 2.87Å; D114-C117 PolarHBondContact O-N 3.35Å; D114-S118 WeakPolarHBondContact O-CB 3.26Å; D114-S118 PolarHBondContact O-N 2.91Å
115	S	81.1	Confident	83.4	Confident	98 Å²	98	55.2 Å²	55.2	69%	0.685	31%	0.311	S	S	*	.	H	α-helix	trans	-46	-35.2	176.9	58.5	0	0	0	0	114.6	C117	S115-C117 VanDerWaalsContact C-N 3.28Å; S115-C117 PolarHBondContact O-N 3.27Å
116	C	84.3	Confident	82	Confident	84 Å²	84	59.6 Å²	59.6	57%	0.568	34%	0.335	S	S	*	.	H	α-helix	trans	-69	-23.3	179.5	65.7	0	0	0	0	114	H89 D114	H89-C116 VanDerWaalsContact CE1-SG 3.56Å; H89-C116 PolarHBondContact ND1-SG 2.99Å; D114-C116 PolarHBondContact O-N 2.87Å
117	C	85.8	Confident	80.5	Confident	18 Å²	18	63.9 Å²	63.9	12%	0.122	36%	0.357	C	S	.	.	H	α-helix	trans	-112.6	-22.2	-179.2	-63.9	0	0	0	0	112.4	V90 I113 D114 S115 S119 A120 Y121	V90-C117 HydrophobicContact CB-CB 4.38Å; V90-C117 PolarHBondContact N-SG 3.32Å; V90-C117 PolarHBondContact O-SG 3.12Å; V90-C117 VanDerWaalsContact O-SG 3.39Å; I113-C117 HydrophobicContact CG2-CB 3.98Å; D114-C117 PolarHBondContact O-N 3.35Å; S115-C117 VanDerWaalsContact C-N 3.28Å; S115-C117 PolarHBondContact O-N 3.27Å; C117-S119 PolarHBondContact O-N 3.43Å; C117-A120 PolarHBondContact O-N 3.26Å; C117-Y121 VanDerWaalsContact O-CB 3.27Å; C117-Y121 WeakPolarHBondContact O-CB 3.11Å; C117-Y121 PolarHBondContact O-N 3.15Å
118	S	82.6	Confident	79.1	Confident	34 Å²	34	65.3 Å²	65.3	24%	0.238	35%	0.354	C	S	.	.	H	α-helix	trans	-57.3	-49.4	-171.3	175.5	0	0	0	0	113	D114 A120 Y121 H122	D114-S118 WeakPolarHBondContact O-CB 3.26Å; D114-S118 PolarHBondContact O-N 2.91Å; S118-A120 PolarHBondContact O-N 2.86Å; S118-Y121 PolarHBondContact O-N 3.1Å; S118-H122 PolarHBondContact O-CD2 3.32Å; S118-H122 PolarHBondContact O-N 3.19Å; S118-H122 PolarHBondContact OG-CD2 3.22Å
119	S	78.3	Confident	77.1	Confident	82 Å²	82	68.4 Å²	68.4	57%	0.573	37%	0.37	S	S	*	.	H	α-helix	trans	-62.5	-46.6	-179.2	59.6	0	0	0	0	112.4	C117 Y121 H122 C123	C117-S119 PolarHBondContact O-N 3.43Å; S119-Y121 VanDerWaalsContact C-N 3.34Å; S119-Y121 PolarHBondContact O-N 2.64Å; S119-H122 PolarHBondContact O-N 2.89Å; S119-C123 WeakPolarHBondContact O-CB 3.28Å; S119-C123 PolarHBondContact O-N 3.28Å
120	A	79.6	Confident	75.4	Confident	38 Å²	38	73 Å²	73	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-35.4	178.9	0	0	0	0	0	112.4	C117 S118 R124	C117-A120 PolarHBondContact O-N 3.26Å; S118-A120 PolarHBondContact O-N 2.86Å; A120-R124 WeakPolarHBondContact O-CG 3.3Å; A120-R124 PolarHBondContact O-N 3.46Å
121	Y	82.5	Confident	73.7	Confident	2 Å²	2	76 Å²	76	1%	0.008	40%	0.399	C	S	.	.	H	α-helix	trans	-64.2	-53.4	174.5	177.7	-91.9	0	0	0	111.1	V90 I96 F99 E110 I113 C117 S118 S119 C123 R124 K125	V90-Y121 HydrophobicContact CG1-CD2 4.35Å; V90-Y121 HydrophobicContact CG2-CD2 4.02Å; I96-Y121 HydrophobicContact CD1-CD2 3.1Å; I96-Y121 HydrophobicContact CD1-CE2 3.28Å; I96-Y121 HydrophobicContact CD1-CG 3.86Å; I96-Y121 HydrophobicContact CG1-CD2 4.27Å; I96-Y121 HydrophobicContact CG1-CE2 4.08Å; F99-Y121 AromaticContact CD1-CE2 3.88Å; F99-Y121 HydrophobicContact CD1-CE2 3.88Å; F99-Y121 HydrophobicContact CE1-CE2 4.14Å; E110-Y121 PolarHBondContact OE1-OH 2.85Å; I113-Y121 HydrophobicContact CD1-CD1 3.44Å; I113-Y121 VanDerWaalsContact CD1-CD1 3.44Å; I113-Y121 HydrophobicContact CD1-CD2 3.89Å; I113-Y121 HydrophobicContact CD1-CE1 3.48Å; I113-Y121 VanDerWaalsContact CD1-CE1 3.48Å; I113-Y121 HydrophobicContact CD1-CE2 3.98Å; I113-Y121 HydrophobicContact CD1-CG 3.67Å; C117-Y121 VanDerWaalsContact O-CB 3.27Å; C117-Y121 WeakPolarHBondContact O-CB 3.11Å; C117-Y121 PolarHBondContact O-N 3.15Å; S118-Y121 PolarHBondContact O-N 3.1Å; S119-Y121 VanDerWaalsContact C-N 3.34Å; S119-Y121 PolarHBondContact O-N 2.64Å; Y121-C123 PolarHBondContact O-N 3.15Å; Y121-R124 PolarHBondContact O-N 3.32Å; Y121-K125 HydrophobicContact CE1-CD 4.04Å; Y121-K125 WeakPolarHBondContact O-CB 3.24Å; Y121-K125 PolarHBondContact O-N 3.03Å
122	H	78.1	Confident	71.7	Confident	76 Å²	76	70.7 Å²	70.7	35%	0.352	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-37.9	-177.5	-71.6	-61.6	0	0	0	112.8	S118 S119 K125 M126	S118-H122 PolarHBondContact O-CD2 3.32Å; S118-H122 PolarHBondContact O-N 3.19Å; S118-H122 PolarHBondContact OG-CD2 3.22Å; S119-H122 PolarHBondContact O-N 2.89Å; H122-K125 PolarHBondContact O-N 2.87Å; H122-M126 VanDerWaalsContact O-CB 3.32Å; H122-M126 WeakPolarHBondContact O-CB 3.36Å; H122-M126 WeakPolarHBondContact O-CG 3.23Å; H122-M126 PolarHBondContact O-N 2.88Å
123	C	76.8	Confident	69.5	Low	78 Å²	78	75.4 Å²	75.4	53%	0.527	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-46.5	173.3	-78.1	0	0	0	0	111.8	S119 Y121 K125 M126 D127	S119-C123 WeakPolarHBondContact O-CB 3.28Å; S119-C123 PolarHBondContact O-N 3.28Å; Y121-C123 PolarHBondContact O-N 3.15Å; C123-K125 VanDerWaalsContact C-N 3.34Å; C123-K125 PolarHBondContact O-N 3.23Å; C123-M126 PolarHBondContact O-N 3.41Å; C123-D127 PolarHBondContact O-N 3.02Å
124	R	75.4	Confident	67.4	Low	77 Å²	77	78.6 Å²	78.6	29%	0.291	41%	0.412	S	S	.	.	H	α-helix	trans	-67.4	-34.6	179.3	-71.1	-175.8	-133.1	156	6.1	113	M91 A92 I96 A120 Y121 Q128	M91-R124 PolarHBondContact O-NH1 2.91Å; A92-R124 PolarHBondContact O-NH1 3.42Å; I96-R124 HydrophobicContact CB-CB 4.35Å; I96-R124 HydrophobicContact CD1-CB 4.38Å; I96-R124 HydrophobicContact CG1-CB 4.19Å; I96-R124 HydrophobicContact CG2-CB 4.43Å; A120-R124 WeakPolarHBondContact O-CG 3.3Å; A120-R124 PolarHBondContact O-N 3.46Å; Y121-R124 PolarHBondContact O-N 3.32Å; R124-Q128 PolarHBondContact O-N 3.41Å
125	K	73.1	Confident	65.4	Low	54 Å²	54	80.7 Å²	80.7	24%	0.235	42%	0.423	C	S	.	.	H	α-helix	trans	-68.2	-41.9	174.3	-171.2	173.7	176.3	176.9	0	111	I96 E110 Y121 H122 C123 Q128 D129	I96-K125 HydrophobicContact CG1-CB 4.29Å; E110-K125 IonicContact OE1-NZ 2.91Å; E110-K125 PolarHBondContact OE1-NZ 2.97Å; E110-K125 IonicContact OE2-NZ 2.82Å; E110-K125 PolarHBondContact OE2-NZ 2.73Å; Y121-K125 HydrophobicContact CE1-CD 4.04Å; Y121-K125 WeakPolarHBondContact O-CB 3.24Å; Y121-K125 PolarHBondContact O-N 3.03Å; H122-K125 PolarHBondContact O-N 2.87Å; C123-K125 VanDerWaalsContact C-N 3.34Å; C123-K125 PolarHBondContact O-N 3.23Å; K125-Q128 WeakPolarHBondContact O-CB 3.34Å; K125-Q128 PolarHBondContact O-N 3.01Å; K125-D129 PolarHBondContact O-N 3.46Å
126	M	62.7	Low	63.3	Low	128 Å²	128	83.2 Å²	83.2	63%	0.631	42%	0.418	S	S	*	.	H	α-helix	trans	-68.3	-34.6	175.3	-78.5	-169.9	151.2	0	0	113.8	H122 C123 Q128 D129 R130	H122-M126 VanDerWaalsContact O-CB 3.32Å; H122-M126 WeakPolarHBondContact O-CB 3.36Å; H122-M126 WeakPolarHBondContact O-CG 3.23Å; H122-M126 PolarHBondContact O-N 2.88Å; C123-M126 PolarHBondContact O-N 3.41Å; M126-Q128 VanDerWaalsContact C-N 3.27Å; M126-D129 PolarHBondContact O-N 3.06Å; M126-R130 WeakPolarHBondContact O-CB 3.48Å; M126-R130 PolarHBondContact O-N 3.29Å
127	D	61.2	Low	61.6	Low	89 Å²	89	83.3 Å²	83.3	48%	0.476	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-37.6	173.1	-74.5	-25.2	0	0	0	110.6	C123 R130 D131	C123-D127 PolarHBondContact O-N 3.02Å; D127-R130 PolarHBondContact O-N 2.94Å; D127-D131 PolarHBondContact O-N 2.84Å
128	Q	59.4	Low	59.7	Low	70 Å²	70	84.1 Å²	84.1	33%	0.327	42%	0.423	S	S	.	.	H	α-helix	trans	-68.8	-43.4	172.7	177.5	167.3	-6.1	0	0	112.4	R124 K125 M126 R130 D131 D132	R124-Q128 PolarHBondContact O-N 3.41Å; K125-Q128 WeakPolarHBondContact O-CB 3.34Å; K125-Q128 PolarHBondContact O-N 3.01Å; M126-Q128 VanDerWaalsContact C-N 3.27Å; Q128-R130 VanDerWaalsContact C-N 3.25Å; Q128-R130 PolarHBondContact O-N 3.08Å; Q128-D131 PolarHBondContact O-N 3.29Å; Q128-D132 PolarHBondContact O-N 2.98Å
129	D	49.6	Very low	57.7	Low	71 Å²	71	89.1 Å²	89.1	38%	0.38	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-34.3	174.5	-69.7	-26.1	0	0	0	110.2	K125 M126 D132 W133	K125-D129 PolarHBondContact O-N 3.46Å; M126-D129 PolarHBondContact O-N 3.06Å; D129-D132 CarbonylContact O-C 3.52Å; D129-D132 PolarHBondContact O-N 3.41Å; D129-W133 VanDerWaalsContact O-CB 3.26Å; D129-W133 WeakPolarHBondContact O-CB 2.91Å; D129-W133 PolarHBondContact O-N 3.03Å
130	R	47.4	Very low	56.1	Low	175 Å²	175	88.2 Å²	88.2	66%	0.66	45%	0.446	S	S	*	.	H	α-helix	trans	-64.7	-43.2	171.9	-92.7	-179.2	161	-170.3	-5.7	112.1	M126 D127 Q128 D132 W133 D134	M126-R130 WeakPolarHBondContact O-CB 3.48Å; M126-R130 PolarHBondContact O-N 3.29Å; D127-R130 PolarHBondContact O-N 2.94Å; Q128-R130 VanDerWaalsContact C-N 3.25Å; Q128-R130 PolarHBondContact O-N 3.08Å; R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 PolarHBondContact O-N 3.15Å; R130-W133 PolarHBondContact O-N 3.02Å; R130-D134 VanDerWaalsContact O-CB 3.27Å; R130-D134 WeakPolarHBondContact O-CB 3.43Å; R130-D134 PolarHBondContact O-N 3.35Å
131	D	49.7	Very low	54.6	Low	112 Å²	112	86.7 Å²	86.7	60%	0.599	43%	0.433	S	S	*	.	H	α-helix	trans	-61	-38.8	173	-75.2	-19.8	0	0	0	110.7	D127 Q128 D135	D127-D131 PolarHBondContact O-N 2.84Å; Q128-D131 PolarHBondContact O-N 3.29Å; D131-D135 WeakPolarHBondContact O-CB 3.13Å; D131-D135 PolarHBondContact O-N 2.9Å
132	D	39.4	Very low	52.6	Low	72 Å²	72	89.2 Å²	89.2	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-73.6	-37.9	175.8	-171	64.1	0	0	0	113.4	Q128 D129 R130 D135 R136	Q128-D132 PolarHBondContact O-N 2.98Å; D129-D132 CarbonylContact O-C 3.52Å; D129-D132 PolarHBondContact O-N 3.41Å; R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 PolarHBondContact O-N 3.15Å; D132-D135 CarbonylContact O-C 3.54Å; D132-D135 PolarHBondContact O-N 3.42Å; D132-R136 WeakPolarHBondContact O-CB 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.43Å; D132-R136 PolarHBondContact O-N 2.97Å; D132-R136 WeakPolarHBondContact OD2-CD 3.46Å
133	W	38.6	Very low	50.9	Low	180 Å²	180	88.5 Å²	88.5	68%	0.682	45%	0.45	S	S	*	.	H	α-helix	trans	-74	-36.2	176.7	-85	97.7	0	0	0	111.5	D129 R130 S137	D129-W133 VanDerWaalsContact O-CB 3.26Å; D129-W133 WeakPolarHBondContact O-CB 2.91Å; D129-W133 PolarHBondContact O-N 3.03Å; R130-W133 PolarHBondContact O-N 3.02Å; W133-S137 VanDerWaalsContact O-CB 3.25Å; W133-S137 WeakPolarHBondContact O-CB 3.34Å; W133-S137 PolarHBondContact O-N 3.48Å; W133-S137 PolarHBondContact O-OG 2.88Å
134	D	45.1	Very low	49.7	Very low	80 Å²	80	86.8 Å²	86.8	43%	0.428	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-42.1	166.9	-88	-32.6	0	0	0	110	R130 R136 S137 D138 K410	R130-D134 VanDerWaalsContact O-CB 3.27Å; R130-D134 WeakPolarHBondContact O-CB 3.43Å; R130-D134 PolarHBondContact O-N 3.35Å; D134-R136 PolarHBondContact O-N 3.31Å; D134-S137 PolarHBondContact O-OG 3.03Å; D134-D138 WeakPolarHBondContact O-CB 3.21Å; D134-D138 PolarHBondContact O-N 3.3Å; D134-K410 IonicContact OD1-NZ 3.74Å
135	D	42.7	Very low	48.6	Very low	76 Å²	76	84.3 Å²	84.3	41%	0.406	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-32	175.4	-91.8	-14.2	0	0	0	113.7	D131 D132 D138 E139 T142	D131-D135 WeakPolarHBondContact O-CB 3.13Å; D131-D135 PolarHBondContact O-N 2.9Å; D132-D135 CarbonylContact O-C 3.54Å; D132-D135 PolarHBondContact O-N 3.42Å; D135-D138 CarbonylContact O-C 3.29Å; D135-E139 PolarHBondContact O-N 3.41Å; D135-T142 HydrophobicContact CB-CG2 4.12Å; D135-T142 WeakPolarHBondContact OD1-CG2 3.32Å
136	R	38.1	Very low	47.6	Very low	151 Å²	151	87 Å²	87	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-87.2	-31.5	179.6	-71.7	178	82.7	178.1	7	113.5	D132 D134 E139	D132-R136 WeakPolarHBondContact O-CB 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.43Å; D132-R136 PolarHBondContact O-N 2.97Å; D132-R136 WeakPolarHBondContact OD2-CD 3.46Å; D134-R136 PolarHBondContact O-N 3.31Å; R136-E139 PolarHBondContact O-N 3.47Å
137	S	47.1	Very low	47.4	Very low	87 Å²	87	84.4 Å²	84.4	61%	0.608	43%	0.434	S	S	*	.	H	α-helix	trans	-73.4	-22.2	167.7	62.2	0	0	0	0	111.9	W133 D134	W133-S137 VanDerWaalsContact O-CB 3.25Å; W133-S137 WeakPolarHBondContact O-CB 3.34Å; W133-S137 PolarHBondContact O-N 3.48Å; W133-S137 PolarHBondContact O-OG 2.88Å; D134-S137 PolarHBondContact O-OG 3.03Å
138	D	45.7	Very low	47.6	Very low	35 Å²	35	84.2 Å²	84.2	19%	0.187	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	40.7	168.5	-71	-35.4	0	0	0	112.8	D134 D135 G140 S141 T142 K410	D134-D138 WeakPolarHBondContact O-CB 3.21Å; D134-D138 PolarHBondContact O-N 3.3Å; D135-D138 CarbonylContact O-C 3.29Å; D138-G140 PolarHBondContact O-N 3.16Å; D138-S141 VanDerWaalsContact CB-OG 3.27Å; D138-S141 WeakPolarHBondContact CB-OG 3.4Å; D138-S141 WeakPolarHBondContact O-CA 3.27Å; D138-S141 PolarHBondContact O-N 3.22Å; D138-S141 PolarHBondContact O-OG 3.46Å; D138-T142 PolarHBondContact O-N 3.02Å; D138-K410 IonicContact OD1-NZ 3.38Å; D138-K410 IonicContact OD2-NZ 3.88Å; D138-K410 PolarHBondContact OD2-NZ 2.78Å
139	E	42	Very low	47.8	Very low	138 Å²	138	82.3 Å²	82.3	65%	0.645	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-13.7	169.6	-91.1	-177.4	-178.1	0	0	113	D135 R136 T143	D135-E139 PolarHBondContact O-N 3.41Å; R136-E139 PolarHBondContact O-N 3.47Å; E139-T143 PolarHBondContact O-OG1 2.84Å
140	G	44.7	Very low	48.5	Very low	64 Å²	64	82 Å²	82	66%	0.66	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.3	167.8	0	0	0	0	0	116	D138 T143	D138-G140 PolarHBondContact O-N 3.16Å; G140-T143 PolarHBondContact O-OG1 2.76Å
141	S	47.4	Very low	49.5	Very low	5 Å²	5	79.2 Å²	79.2	4%	0.035	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-38.1	-172.7	99.7	0	0	0	0	114.3	D138 T143 S144 R417	D138-S141 VanDerWaalsContact CB-OG 3.27Å; D138-S141 WeakPolarHBondContact CB-OG 3.4Å; D138-S141 WeakPolarHBondContact O-CA 3.27Å; D138-S141 PolarHBondContact O-N 3.22Å; D138-S141 PolarHBondContact O-OG 3.46Å; S141-T143 VanDerWaalsContact C-N 3.26Å; S141-T143 PolarHBondContact O-N 3.36Å; S141-S144 PolarHBondContact O-N 2.82Å; S141-R417 VanDerWaalsContact C-NH1 3.32Å; S141-R417 PolarHBondContact O-NH1 3.47Å; S141-R417 PolarHBondContact O-NH2 3.41Å
142	T	40.2	Very low	50.5	Low	55 Å²	55	75.1 Å²	75.1	34%	0.337	39%	0.391	S	S	.	.	H	α-helix	trans	-64.8	-33.5	176.3	45.5	0	0	0	0	111.9	D135 D138 R417	D135-T142 HydrophobicContact CB-CG2 4.12Å; D135-T142 WeakPolarHBondContact OD1-CG2 3.32Å; D138-T142 PolarHBondContact O-N 3.02Å; T142-R417 VanDerWaalsContact C-NH2 3.34Å; T142-R417 VanDerWaalsContact CA-NH2 3.29Å; T142-R417 PolarHBondContact O-NH2 3.45Å
143	T	42.5	Very low	51.9	Low	62 Å²	62	73.4 Å²	73.4	38%	0.38	38%	0.38	S	S	.	.	H	α-helix	trans	-57.4	-52.5	167.8	49.1	0	0	0	0	111.5	E139 G140 S141 S145 F146 D147	E139-T143 PolarHBondContact O-OG1 2.84Å; G140-T143 PolarHBondContact O-OG1 2.76Å; S141-T143 VanDerWaalsContact C-N 3.26Å; S141-T143 PolarHBondContact O-N 3.36Å; T143-S145 PolarHBondContact O-N 3.42Å; T143-F146 PolarHBondContact O-N 2.88Å; T143-D147 VanDerWaalsContact CB-OD2 3.31Å; T143-D147 WeakPolarHBondContact CB-OD2 3.38Å; T143-D147 WeakPolarHBondContact O-CA 3.43Å; T143-D147 WeakPolarHBondContact O-CB 3.28Å; T143-D147 PolarHBondContact O-N 2.73Å
144	S	51.3	Low	53.5	Low	41 Å²	41	68.8 Å²	68.8	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-51.1	-46	-172.8	152.6	0	0	0	0	116.6	S141 E148	S141-S144 PolarHBondContact O-N 2.82Å; S144-E148 WeakPolarHBondContact O-CB 3.39Å; S144-E148 WeakPolarHBondContact O-CG 3.11Å; S144-E148 PolarHBondContact O-N 3.2Å
145	S	51.9	Low	55	Low	26 Å²	26	67.1 Å²	67.1	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-80.2	-30.4	-177	83.7	0	0	0	0	113.8	T143 L149 R417 L421	T143-S145 PolarHBondContact O-N 3.42Å; S145-L149 PolarHBondContact O-N 3.42Å; S145-R417 VanDerWaalsContact N-NH2 3.16Å; S145-R417 VanDerWaalsContact OG-CZ 3.23Å; S145-R417 PolarHBondContact OG-NE 2.82Å; S145-R417 PolarHBondContact OG-NH2 2.88Å; S145-L421 VanDerWaalsContact O-CD1 3.28Å; S145-L421 WeakPolarHBondContact O-CD1 3.35Å
146	F	52.8	Low	56.4	Low	111 Å²	111	63.6 Å²	63.6	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-74	-43	174.1	-178	-111.1	0	0	0	108.8	T143 L149 L150	T143-F146 PolarHBondContact O-N 2.88Å; F146-L149 CarbonylContact O-C 3.17Å; F146-L149 WeakPolarHBondContact O-CB 3.47Å; F146-L149 PolarHBondContact O-N 3.44Å; F146-L150 HydrophobicContact CD1-CD1 3.58Å; F146-L150 HydrophobicContact CD2-CD1 4.41Å; F146-L150 HydrophobicContact CE1-CD1 3.04Å; F146-L150 HydrophobicContact CE2-CD1 3.96Å; F146-L150 HydrophobicContact CG-CD1 4.26Å; F146-L150 HydrophobicContact CZ-CD1 3.26Å; F146-L150 WeakPolarHBondContact O-CB 3.39Å; F146-L150 PolarHBondContact O-N 3Å
147	D	59.2	Low	58.1	Low	72 Å²	72	59.9 Å²	59.9	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-42.5	172.5	-69	-16.1	0	0	0	111.8	T143 L149 L150 E151	T143-D147 VanDerWaalsContact CB-OD2 3.31Å; T143-D147 WeakPolarHBondContact CB-OD2 3.38Å; T143-D147 WeakPolarHBondContact O-CA 3.43Å; T143-D147 WeakPolarHBondContact O-CB 3.28Å; T143-D147 PolarHBondContact O-N 2.73Å; D147-L149 VanDerWaalsContact C-N 3.31Å; D147-L149 PolarHBondContact O-N 2.77Å; D147-L150 CarbonylContact O-C 3.22Å; D147-L150 PolarHBondContact O-N 3.18Å; D147-E151 WeakPolarHBondContact O-CA 3.4Å; D147-E151 WeakPolarHBondContact O-CB 3.48Å; D147-E151 VanDerWaalsContact O-CG 3.27Å; D147-E151 WeakPolarHBondContact O-CG 3.27Å; D147-E151 PolarHBondContact O-N 2.94Å
148	E	63.8	Low	59.5	Low	86 Å²	86	59.4 Å²	59.4	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-40.9	174.5	-85.6	174.9	-164.5	0	0	111.5	S144 F152	S144-E148 WeakPolarHBondContact O-CB 3.39Å; S144-E148 WeakPolarHBondContact O-CG 3.11Å; S144-E148 PolarHBondContact O-N 3.2Å; E148-F152 VanDerWaalsContact O-CB 3.27Å; E148-F152 WeakPolarHBondContact O-CB 3.48Å; E148-F152 PolarHBondContact O-N 2.73Å
149	L	63.9	Low	61	Low	30 Å²	30	57.7 Å²	57.7	16%	0.157	31%	0.313	C	S	.	.	H	α-helix	trans	-69.1	-39.6	176.5	-149	116.9	0	0	0	110.6	S145 F146 D147 F152 Y153 L421 A424 M425	S145-L149 PolarHBondContact O-N 3.42Å; F146-L149 CarbonylContact O-C 3.17Å; F146-L149 WeakPolarHBondContact O-CB 3.47Å; F146-L149 PolarHBondContact O-N 3.44Å; D147-L149 VanDerWaalsContact C-N 3.31Å; D147-L149 PolarHBondContact O-N 2.77Å; L149-F152 PolarHBondContact O-N 3.3Å; L149-Y153 HydrophobicContact CD2-CD2 3.96Å; L149-Y153 HydrophobicContact CD2-CE2 3.6Å; L149-Y153 HydrophobicContact CG-CD2 4.39Å; L149-Y153 HydrophobicContact CG-CE2 4.23Å; L149-Y153 WeakPolarHBondContact O-CD2 3.49Å; L149-Y153 PolarHBondContact O-N 3.48Å; L149-L421 HydrophobicContact CB-CD1 4.07Å; L149-L421 HydrophobicContact CD1-CD1 3.22Å; L149-L421 HydrophobicContact CD1-CG 3.85Å; L149-L421 HydrophobicContact CG-CD1 4.24Å; L149-A424 HydrophobicContact CD1-CB 4.42Å; L149-M425 HydrophobicContact CD1-CG 3.99Å
150	L	64	Low	62.4	Low	63 Å²	63	56 Å²	56	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-70.9	-40	178.9	-125.7	130.4	0	0	0	112.5	F146 D147 Y153 N154	F146-L150 HydrophobicContact CD1-CD1 3.58Å; F146-L150 HydrophobicContact CD2-CD1 4.41Å; F146-L150 HydrophobicContact CE1-CD1 3.04Å; F146-L150 HydrophobicContact CE2-CD1 3.96Å; F146-L150 HydrophobicContact CG-CD1 4.26Å; F146-L150 HydrophobicContact CZ-CD1 3.26Å; F146-L150 WeakPolarHBondContact O-CB 3.39Å; F146-L150 PolarHBondContact O-N 3Å; D147-L150 CarbonylContact O-C 3.22Å; D147-L150 PolarHBondContact O-N 3.18Å; L150-Y153 PolarHBondContact O-N 3.48Å; L150-N154 VanDerWaalsContact O-CB 3.25Å; L150-N154 WeakPolarHBondContact O-CB 3.45Å; L150-N154 PolarHBondContact O-N 3.24Å; L150-N154 PolarHBondContact O-ND2 2.75Å
151	E	68.9	Low	63.7	Low	117 Å²	117	62.4 Å²	62.4	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-48.3	171.6	-80.8	-177	171.9	0	0	109.2	D147 Y153 N154 D155	D147-E151 WeakPolarHBondContact O-CA 3.4Å; D147-E151 WeakPolarHBondContact O-CB 3.48Å; D147-E151 VanDerWaalsContact O-CG 3.27Å; D147-E151 WeakPolarHBondContact O-CG 3.27Å; D147-E151 PolarHBondContact O-N 2.94Å; E151-Y153 VanDerWaalsContact C-N 3.3Å; E151-Y153 PolarHBondContact O-N 3.13Å; E151-N154 PolarHBondContact O-N 3.44Å; E151-D155 VanDerWaalsContact O-CB 3.27Å; E151-D155 WeakPolarHBondContact O-CB 3.09Å; E151-D155 PolarHBondContact O-N 3.2Å
152	F	71.4	Confident	65.1	Low	27 Å²	27	65.1 Å²	65.1	12%	0.118	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-41.3	175.3	-173.1	-91.3	0	0	0	112.3	E148 L149 A156 W172 L173 M425 F430	E148-F152 VanDerWaalsContact O-CB 3.27Å; E148-F152 WeakPolarHBondContact O-CB 3.48Å; E148-F152 PolarHBondContact O-N 2.73Å; L149-F152 PolarHBondContact O-N 3.3Å; F152-A156 WeakPolarHBondContact O-CB 3.28Å; F152-A156 PolarHBondContact O-N 2.98Å; F152-W172 HydrophobicContact CD1-CH2 4.33Å; F152-W172 AromaticContact CD2-CH2 3.48Å; F152-W172 HydrophobicContact CD2-CH2 3.48Å; F152-W172 VanDerWaalsContact CD2-CH2 3.48Å; F152-W172 HydrophobicContact CD2-CZ2 4.02Å; F152-W172 HydrophobicContact CD2-CZ3 4.38Å; F152-W172 HydrophobicContact CE1-CH2 4.11Å; F152-W172 HydrophobicContact CE1-CZ3 4.11Å; F152-W172 AromaticContact CE2-CH2 3.22Å; F152-W172 HydrophobicContact CE2-CH2 3.22Å; F152-W172 AromaticContact CE2-CZ2 3.76Å; F152-W172 HydrophobicContact CE2-CZ2 3.76Å; F152-W172 AromaticContact CE2-CZ3 3.82Å; F152-W172 HydrophobicContact CE2-CZ3 3.82Å; F152-W172 HydrophobicContact CG-CH2 4.04Å; F152-W172 AromaticContact CZ-CH2 3.58Å; F152-W172 HydrophobicContact CZ-CH2 3.58Å; F152-W172 HydrophobicContact CZ-CZ2 4.45Å; F152-W172 AromaticContact CZ-CZ3 3.67Å; F152-W172 HydrophobicContact CZ-CZ3 3.67Å; F152-L173 HydrophobicContact CE1-CD2 3.97Å; F152-L173 HydrophobicContact CZ-CD2 3.69Å; F152-M425 HydrophobicContact CB-CE 4.48Å; F152-M425 HydrophobicContact CD1-CE 3.74Å; F152-M425 HydrophobicContact CD2-CE 3.71Å; F152-M425 HydrophobicContact CE1-CE 3.79Å; F152-M425 HydrophobicContact CE2-CE 3.75Å; F152-M425 HydrophobicContact CG-CE 3.7Å; F152-M425 HydrophobicContact CZ-CE 3.79Å; F152-F430 HydrophobicContact CD1-CZ 4.49Å; F152-F430 HydrophobicContact CE1-CE1 4.22Å; F152-F430 AromaticContact CE1-CZ 3.78Å; F152-F430 HydrophobicContact CE1-CZ 3.78Å
153	Y	69	Low	66.5	Low	36 Å²	36	70.3 Å²	70.3	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-68.7	-45.4	175.1	-89.6	-65.4	0	0	0	113.1	L149 L150 E151 D155 A156 T157 C428 F430 I434	L149-Y153 HydrophobicContact CD2-CD2 3.96Å; L149-Y153 HydrophobicContact CD2-CE2 3.6Å; L149-Y153 HydrophobicContact CG-CD2 4.39Å; L149-Y153 HydrophobicContact CG-CE2 4.23Å; L149-Y153 WeakPolarHBondContact O-CD2 3.49Å; L149-Y153 PolarHBondContact O-N 3.48Å; L150-Y153 PolarHBondContact O-N 3.48Å; E151-Y153 VanDerWaalsContact C-N 3.3Å; E151-Y153 PolarHBondContact O-N 3.13Å; Y153-D155 VanDerWaalsContact C-N 3.26Å; Y153-D155 PolarHBondContact O-N 3Å; Y153-A156 WeakPolarHBondContact O-CA 3.22Å; Y153-A156 WeakPolarHBondContact O-CB 3.48Å; Y153-A156 PolarHBondContact O-N 3.45Å; Y153-A156 VanDerWaalsContact O-N 3.09Å; Y153-T157 WeakPolarHBondContact O-CG2 3.13Å; Y153-T157 PolarHBondContact O-N 3.46Å; Y153-C428 WeakPolarHBondContact OH-CB 3.28Å; Y153-C428 PolarHBondContact OH-SG 3.37Å; Y153-F430 HydrophobicContact CD1-CE1 4.3Å; Y153-F430 HydrophobicContact CE1-CD1 4.34Å; Y153-F430 AromaticContact CE1-CE1 3.62Å; Y153-F430 HydrophobicContact CE1-CE1 3.62Å; Y153-F430 HydrophobicContact CE1-CZ 4.3Å; Y153-I434 HydrophobicContact CD1-CD1 3.9Å; Y153-I434 HydrophobicContact CE1-CD1 3.18Å
154	N	71.7	Confident	68.2	Low	82 Å²	82	74.3 Å²	74.3	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-57.5	-45.1	176.4	-77.4	-28.2	0	0	0	109.8	L150 E151 A156 T157 K158	L150-N154 VanDerWaalsContact O-CB 3.25Å; L150-N154 WeakPolarHBondContact O-CB 3.45Å; L150-N154 PolarHBondContact O-N 3.24Å; L150-N154 PolarHBondContact O-ND2 2.75Å; E151-N154 PolarHBondContact O-N 3.44Å; N154-A156 PolarHBondContact O-N 3.15Å; N154-T157 PolarHBondContact O-N 3.03Å; N154-T157 PolarHBondContact O-OG1 3.31Å; N154-K158 WeakPolarHBondContact O-CG 3.4Å; N154-K158 PolarHBondContact O-N 3.08Å; N154-K158 VanDerWaalsContact O-N 3.08Å
155	D	76.3	Confident	69.4	Low	46 Å²	46	72.7 Å²	72.7	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-61.1	-41.7	174.1	-82.9	-2.7	0	0	0	112.6	E151 Y153 T157 K158 F159 W172 P248	E151-D155 VanDerWaalsContact O-CB 3.27Å; E151-D155 WeakPolarHBondContact O-CB 3.09Å; E151-D155 PolarHBondContact O-N 3.2Å; Y153-D155 VanDerWaalsContact C-N 3.26Å; Y153-D155 PolarHBondContact O-N 3Å; D155-T157 VanDerWaalsContact C-N 3.33Å; D155-T157 PolarHBondContact O-N 2.94Å; D155-K158 WeakPolarHBondContact O-CB 3.18Å; D155-K158 PolarHBondContact O-N 2.96Å; D155-K158 WeakPolarHBondContact OD1-CE 3.15Å; D155-K158 IonicContact OD1-NZ 3.75Å; D155-K158 PolarHBondContact OD1-NZ 3.44Å; D155-F159 VanDerWaalsContact O-CD2 3.25Å; D155-F159 WeakPolarHBondContact O-CD2 3.49Å; D155-F159 WeakPolarHBondContact O-CE2 3.36Å; D155-W172 HydrophobicContact CB-CH2 4.24Å; D155-W172 HydrophobicContact CB-CZ2 4.4Å; D155-P248 HydrophobicContact CB-CB 4.49Å; D155-P248 HydrophobicContact CB-CG 3.86Å
156	A	73.4	Confident	70.7	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.008	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-37.5	174.3	0	0	0	0	0	112.7	F152 Y153 N154 F159 W172	F152-A156 WeakPolarHBondContact O-CB 3.28Å; F152-A156 PolarHBondContact O-N 2.98Å; Y153-A156 WeakPolarHBondContact O-CA 3.22Å; Y153-A156 WeakPolarHBondContact O-CB 3.48Å; Y153-A156 PolarHBondContact O-N 3.45Å; Y153-A156 VanDerWaalsContact O-N 3.09Å; N154-A156 PolarHBondContact O-N 3.15Å; A156-F159 WeakPolarHBondContact O-CD2 3.07Å; A156-W172 HydrophobicContact CB-CZ3 4.1Å
157	T	71.9	Confident	72.1	Confident	73 Å²	73	73.1 Å²	73.1	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-75.5	-23	178.6	64.6	0	0	0	0	113.6	Y153 N154 D155 F159 D160	Y153-T157 WeakPolarHBondContact O-CG2 3.13Å; Y153-T157 PolarHBondContact O-N 3.46Å; N154-T157 PolarHBondContact O-N 3.03Å; N154-T157 PolarHBondContact O-OG1 3.31Å; D155-T157 VanDerWaalsContact C-N 3.33Å; D155-T157 PolarHBondContact O-N 2.94Å; T157-F159 PolarHBondContact O-N 3.07Å; T157-D160 WeakPolarHBondContact O-CB 3.35Å; T157-D160 PolarHBondContact O-N 2.6Å; T157-D160 VanDerWaalsContact O-N 3.13Å
158	K	77.6	Confident	73.4	Confident	77 Å²	77	72.3 Å²	72.3	34%	0.335	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-30.3	174.7	-72.8	172.3	-169.8	166.2	0	111.8	N154 D155 D160 K161 P248 D249	N154-K158 WeakPolarHBondContact O-CG 3.4Å; N154-K158 PolarHBondContact O-N 3.08Å; N154-K158 VanDerWaalsContact O-N 3.08Å; D155-K158 WeakPolarHBondContact O-CB 3.18Å; D155-K158 PolarHBondContact O-N 2.96Å; D155-K158 WeakPolarHBondContact OD1-CE 3.15Å; D155-K158 IonicContact OD1-NZ 3.75Å; D155-K158 PolarHBondContact OD1-NZ 3.44Å; K158-D160 VanDerWaalsContact C-N 3.29Å; K158-D160 PolarHBondContact O-N 3.04Å; K158-K161 PolarHBondContact O-N 3.28Å; K158-P248 HydrophobicContact CB-CB 4.15Å; K158-P248 HydrophobicContact CD-CB 4.14Å; K158-D249 WeakPolarHBondContact CD-OD2 2.99Å; K158-D249 WeakPolarHBondContact CE-OD2 3.26Å; K158-D249 IonicContact NZ-OD2 2.72Å; K158-D249 PolarHBondContact NZ-OD2 2.92Å
159	F	76.1	Confident	74.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-66.3	-27.6	177.6	-67.6	-71.7	0	0	0	113.7	D155 A156 T157 K161 Q162 G165 R168 R169 W172 V246 P248	D155-F159 VanDerWaalsContact O-CD2 3.25Å; D155-F159 WeakPolarHBondContact O-CD2 3.49Å; D155-F159 WeakPolarHBondContact O-CE2 3.36Å; A156-F159 WeakPolarHBondContact O-CD2 3.07Å; T157-F159 PolarHBondContact O-N 3.07Å; F159-K161 PolarHBondContact O-N 3.18Å; F159-K161 VanDerWaalsContact O-N 3.12Å; F159-Q162 PolarHBondContact O-N 2.89Å; F159-G165 VanDerWaalsContact O-CA 3.24Å; F159-G165 WeakPolarHBondContact O-CA 3.45Å; F159-R168 HydrophobicContact CD1-CB 4.17Å; F159-R168 HydrophobicContact CD1-CG 3.98Å; F159-R168 HydrophobicContact CE1-CB 4.31Å; F159-R168 HydrophobicContact CE1-CG 3.66Å; F159-R169 HydrophobicContact CB-CB 3.88Å; F159-R169 HydrophobicContact CB-CG 4.44Å; F159-R169 HydrophobicContact CD1-CB 4.47Å; F159-R169 HydrophobicContact CD2-CB 4Å; F159-R169 HydrophobicContact CD2-CG 4.12Å; F159-R169 HydrophobicContact CG-CB 3.86Å; F159-R169 HydrophobicContact CG-CG 4.43Å; F159-W172 HydrophobicContact CE2-CB 4.34Å; F159-W172 AromaticContact CE2-CD2 3.83Å; F159-W172 HydrophobicContact CE2-CD2 3.83Å; F159-W172 AromaticContact CE2-CE3 3.81Å; F159-W172 HydrophobicContact CE2-CE3 3.81Å; F159-W172 HydrophobicContact CE2-CG 4.06Å; F159-W172 HydrophobicContact CE2-CZ3 4.41Å; F159-W172 HydrophobicContact CZ-CB 4.04Å; F159-W172 HydrophobicContact CZ-CD2 4.11Å; F159-W172 AromaticContact CZ-CG 3.87Å; F159-W172 HydrophobicContact CZ-CG 3.87Å; F159-V246 WeakPolarHBondContact CE1-O 3.27Å; F159-V246 VanDerWaalsContact CZ-O 3.25Å; F159-V246 WeakPolarHBondContact CZ-O 3.2Å; F159-P248 HydrophobicContact CE1-CB 4.31Å; F159-P248 HydrophobicContact CE2-CB 3.96Å; F159-P248 HydrophobicContact CE2-CG 4.35Å; F159-P248 HydrophobicContact CZ-CB 3.8Å; F159-P248 HydrophobicContact CZ-CG 4.22Å
160	D	71.4	Confident	75.4	Confident	102 Å²	102	76.2 Å²	76.2	55%	0.545	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-65.6	-19.2	-176.6	-61.8	-23.5	0	0	0	112.2	T157 K158 R169	T157-D160 WeakPolarHBondContact O-CB 3.35Å; T157-D160 PolarHBondContact O-N 2.6Å; T157-D160 VanDerWaalsContact O-N 3.13Å; K158-D160 VanDerWaalsContact C-N 3.29Å; K158-D160 PolarHBondContact O-N 3.04Å; D160-R169 IonicContact OD1-NH1 4Å; D160-R169 PolarHBondContact OD1-NH1 3.12Å; D160-R169 IonicContact OD2-NH1 3.02Å
161	K	71.9	Confident	76.5	Confident	199 Å²	199	76.3 Å²	76.3	87%	0.865	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-94.6	-1.8	177.8	-61.6	-179.6	-176.8	174.3	0	113.9	K158 F159	K158-K161 PolarHBondContact O-N 3.28Å; F159-K161 PolarHBondContact O-N 3.18Å; F159-K161 VanDerWaalsContact O-N 3.12Å
162	Q	78	Confident	77.4	Confident	61 Å²	61	71.5 Å²	71.5	29%	0.285	36%	0.363	S	S	.	.	S	Bend	trans	-105.9	152.4	-171.9	-65.2	-179.9	-10.2	0	0	113.1	F159 G165 P248	F159-Q162 PolarHBondContact O-N 2.89Å; Q162-G165 PolarHBondContact O-N 3.02Å; Q162-P248 PolarHBondContact NE2-O 3.09Å
163	L	68.8	Low	78	Confident	165 Å²	165	70.3 Å²	70.3	86%	0.864	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	133.5	171.5	-75.1	160	0	0	0	110.3	G165	L163-G165 PolarHBondContact O-N 3.3Å
164	L	77.9	Confident	78.8	Confident	146 Å²	146	71 Å²	71	76%	0.764	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	23.7	-169.4	-68.3	106.6	0	0	0	114.4	S166 A167 R168	L164-S166 VanDerWaalsContact C-N 3.29Å; L164-S166 PolarHBondContact O-N 3.28Å; L164-S166 VanDerWaalsContact O-N 3.16Å; L164-A167 PolarHBondContact O-N 2.91Å; L164-R168 PolarHBondContact O-N 3.41Å
165	G	77.4	Confident	79.5	Confident	6 Å²	6	68.2 Å²	68.2	6%	0.062	35%	0.348	C	S	.	.	H	α-helix	trans	-49.1	-44.3	-176.9	0	0	0	0	0	114.3	F159 Q162 L163 A167 R168 R169	F159-G165 VanDerWaalsContact O-CA 3.24Å; F159-G165 WeakPolarHBondContact O-CA 3.45Å; Q162-G165 PolarHBondContact O-N 3.02Å; L163-G165 PolarHBondContact O-N 3.3Å; G165-A167 PolarHBondContact O-N 2.94Å; G165-R168 PolarHBondContact O-N 3.36Å; G165-R169 WeakPolarHBondContact O-CB 3.34Å; G165-R169 PolarHBondContact O-N 3.21Å
166	S	78.6	Confident	79.8	Confident	93 Å²	93	68.8 Å²	68.8	65%	0.65	35%	0.351	S	S	*	.	H	α-helix	trans	-65	-39.5	-179.7	-44	0	0	0	0	113.4	L164 R170	L164-S166 VanDerWaalsContact C-N 3.29Å; L164-S166 PolarHBondContact O-N 3.28Å; L164-S166 VanDerWaalsContact O-N 3.16Å; S166-R170 WeakPolarHBondContact O-CB 3.39Å; S166-R170 PolarHBondContact O-N 3.31Å; S166-R170 VanDerWaalsContact O-N 3.11Å
167	A	82.9	Confident	80.1	Confident	54 Å²	54	69.4 Å²	69.4	45%	0.446	35%	0.354	S	S	.	.	H	α-helix	trans	-73	-42.8	178	0	0	0	0	0	111	L164 G165 R170 V171	L164-A167 PolarHBondContact O-N 2.91Å; G165-A167 PolarHBondContact O-N 2.94Å; A167-R170 PolarHBondContact O-N 3.24Å; A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 3.41Å; A167-V171 VanDerWaalsContact O-N 3.09Å
168	R	86.1	Confident	80.5	Confident	55 Å²	55	68.2 Å²	68.2	21%	0.208	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-49.3	175.7	-167.4	178.8	-173	-163.7	4.3	111	F159 L164 G165 R170 V171 W172 A245 V246 A247	F159-R168 HydrophobicContact CD1-CB 4.17Å; F159-R168 HydrophobicContact CD1-CG 3.98Å; F159-R168 HydrophobicContact CE1-CB 4.31Å; F159-R168 HydrophobicContact CE1-CG 3.66Å; L164-R168 PolarHBondContact O-N 3.41Å; G165-R168 PolarHBondContact O-N 3.36Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R168-R170 PolarHBondContact O-N 3.06Å; R168-V171 PolarHBondContact O-N 3.31Å; R168-W172 WeakPolarHBondContact O-CB 3.28Å; R168-W172 PolarHBondContact O-N 3.13Å; R168-A245 PolarHBondContact NE-O 3.4Å; R168-A245 VanDerWaalsContact NE-O 3.16Å; R168-A245 PolarHBondContact NH2-O 2.88Å; R168-V246 HydrophobicContact CG-CB 4.37Å; R168-V246 HydrophobicContact CG-CG1 3.94Å; R168-V246 PolarHBondContact NE-O 2.76Å; R168-V246 WeakPolarHBondContact O-CG1 3.45Å; R168-A247 PolarHBondContact NH2-O 2.83Å
169	R	84.6	Confident	80.4	Confident	51 Å²	51	65.3 Å²	65.3	19%	0.192	34%	0.34	C	S	.	.	H	α-helix	trans	-56.6	-42.9	175.2	-178.6	174.2	166.5	-172.7	-7.5	112.2	F159 D160 G165 W172 L173	F159-R169 HydrophobicContact CB-CB 3.88Å; F159-R169 HydrophobicContact CB-CG 4.44Å; F159-R169 HydrophobicContact CD1-CB 4.47Å; F159-R169 HydrophobicContact CD2-CB 4Å; F159-R169 HydrophobicContact CD2-CG 4.12Å; F159-R169 HydrophobicContact CG-CB 3.86Å; F159-R169 HydrophobicContact CG-CG 4.43Å; D160-R169 IonicContact OD1-NH1 4Å; D160-R169 PolarHBondContact OD1-NH1 3.12Å; D160-R169 IonicContact OD2-NH1 3.02Å; G165-R169 WeakPolarHBondContact O-CB 3.34Å; G165-R169 PolarHBondContact O-N 3.21Å; R169-W172 WeakPolarHBondContact O-CB 3.16Å; R169-W172 PolarHBondContact O-N 3.09Å; R169-L173 HydrophobicContact CG-CD1 4.03Å; R169-L173 HydrophobicContact CG-CG 4.4Å; R169-L173 WeakPolarHBondContact O-CB 3.33Å; R169-L173 VanDerWaalsContact O-CG 3.27Å; R169-L173 WeakPolarHBondContact O-CG 3.22Å; R169-L173 PolarHBondContact O-N 3.39Å
170	R	84.4	Confident	80.6	Confident	146 Å²	146	68.8 Å²	68.8	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-63	-43.8	178.1	-172.5	177.1	-67.1	163.9	-1	112.2	S166 A167 R168 W172 M174 Y180	S166-R170 WeakPolarHBondContact O-CB 3.39Å; S166-R170 PolarHBondContact O-N 3.31Å; S166-R170 VanDerWaalsContact O-N 3.11Å; A167-R170 PolarHBondContact O-N 3.24Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R168-R170 PolarHBondContact O-N 3.06Å; R170-W172 VanDerWaalsContact C-N 3.35Å; R170-M174 VanDerWaalsContact O-CB 3.28Å; R170-M174 WeakPolarHBondContact O-CB 3.48Å; R170-M174 PolarHBondContact O-N 2.99Å; R170-Y180 HydrophobicContact CG-CE1 4.09Å
171	V	87.4	Confident	81.3	Confident	65 Å²	65	65.7 Å²	65.7	39%	0.394	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-39.2	176.2	178.6	0	0	0	0	110.8	A167 R168 M174 L175 V246	A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 3.41Å; A167-V171 VanDerWaalsContact O-N 3.09Å; R168-V171 PolarHBondContact O-N 3.31Å; V171-M174 PolarHBondContact O-N 3.39Å; V171-L175 HydrophobicContact CG1-CD1 4.02Å; V171-L175 HydrophobicContact CG1-CG 4.45Å; V171-L175 WeakPolarHBondContact O-CG 3.37Å; V171-L175 PolarHBondContact O-N 3.3Å; V171-L175 VanDerWaalsContact O-N 3.08Å; V171-V246 HydrophobicContact CB-CG1 4.15Å; V171-V246 HydrophobicContact CB-CG2 4.29Å; V171-V246 HydrophobicContact CG1-CG1 4.23Å; V171-V246 HydrophobicContact CG1-CG2 3.85Å
172	W	88.5	Confident	82	Confident	16 Å²	16	61.5 Å²	61.5	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-53.5	177	-176.6	63.8	0	0	0	110.9	F152 D155 A156 F159 R168 R169 R170 M174 L175 D176 V246	F152-W172 HydrophobicContact CD1-CH2 4.33Å; F152-W172 AromaticContact CD2-CH2 3.48Å; F152-W172 HydrophobicContact CD2-CH2 3.48Å; F152-W172 VanDerWaalsContact CD2-CH2 3.48Å; F152-W172 HydrophobicContact CD2-CZ2 4.02Å; F152-W172 HydrophobicContact CD2-CZ3 4.38Å; F152-W172 HydrophobicContact CE1-CH2 4.11Å; F152-W172 HydrophobicContact CE1-CZ3 4.11Å; F152-W172 AromaticContact CE2-CH2 3.22Å; F152-W172 HydrophobicContact CE2-CH2 3.22Å; F152-W172 AromaticContact CE2-CZ2 3.76Å; F152-W172 HydrophobicContact CE2-CZ2 3.76Å; F152-W172 AromaticContact CE2-CZ3 3.82Å; F152-W172 HydrophobicContact CE2-CZ3 3.82Å; F152-W172 HydrophobicContact CG-CH2 4.04Å; F152-W172 AromaticContact CZ-CH2 3.58Å; F152-W172 HydrophobicContact CZ-CH2 3.58Å; F152-W172 HydrophobicContact CZ-CZ2 4.45Å; F152-W172 AromaticContact CZ-CZ3 3.67Å; F152-W172 HydrophobicContact CZ-CZ3 3.67Å; D155-W172 HydrophobicContact CB-CH2 4.24Å; D155-W172 HydrophobicContact CB-CZ2 4.4Å; A156-W172 HydrophobicContact CB-CZ3 4.1Å; F159-W172 HydrophobicContact CE2-CB 4.34Å; F159-W172 AromaticContact CE2-CD2 3.83Å; F159-W172 HydrophobicContact CE2-CD2 3.83Å; F159-W172 AromaticContact CE2-CE3 3.81Å; F159-W172 HydrophobicContact CE2-CE3 3.81Å; F159-W172 HydrophobicContact CE2-CG 4.06Å; F159-W172 HydrophobicContact CE2-CZ3 4.41Å; F159-W172 HydrophobicContact CZ-CB 4.04Å; F159-W172 HydrophobicContact CZ-CD2 4.11Å; F159-W172 AromaticContact CZ-CG 3.87Å; F159-W172 HydrophobicContact CZ-CG 3.87Å; R168-W172 WeakPolarHBondContact O-CB 3.28Å; R168-W172 PolarHBondContact O-N 3.13Å; R169-W172 WeakPolarHBondContact O-CB 3.16Å; R169-W172 PolarHBondContact O-N 3.09Å; R170-W172 VanDerWaalsContact C-N 3.35Å; W172-M174 VanDerWaalsContact C-N 3.25Å; W172-M174 PolarHBondContact O-N 3.47Å; W172-L175 PolarHBondContact O-N 2.77Å; W172-D176 PolarHBondContact NE1-OD2 3.42Å; W172-D176 PolarHBondContact O-N 3.31Å; W172-V246 VanDerWaalsContact CA-CG1 3.44Å; W172-V246 HydrophobicContact CB-CG1 3.42Å; W172-V246 VanDerWaalsContact CB-CG1 3.42Å; W172-V246 HydrophobicContact CG-CG1 4.27Å; W172-V246 VanDerWaalsContact N-CG1 3.29Å
173	L	83.3	Confident	82.5	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-37.4	177.7	-70.3	173.3	0	0	0	111.9	F152 R169 L175 N177 Y180 F430	F152-L173 HydrophobicContact CE1-CD2 3.97Å; F152-L173 HydrophobicContact CZ-CD2 3.69Å; R169-L173 HydrophobicContact CG-CD1 4.03Å; R169-L173 HydrophobicContact CG-CG 4.4Å; R169-L173 WeakPolarHBondContact O-CB 3.33Å; R169-L173 VanDerWaalsContact O-CG 3.27Å; R169-L173 WeakPolarHBondContact O-CG 3.22Å; R169-L173 PolarHBondContact O-N 3.39Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.71Å; L173-N177 WeakPolarHBondContact O-CA 3.19Å; L173-N177 WeakPolarHBondContact O-CB 3.46Å; L173-N177 PolarHBondContact O-N 3.31Å; L173-Y180 HydrophobicContact CB-CD1 3.99Å; L173-Y180 HydrophobicContact CB-CD2 4.09Å; L173-Y180 HydrophobicContact CB-CE1 4.12Å; L173-Y180 HydrophobicContact CB-CE2 4.22Å; L173-Y180 HydrophobicContact CB-CG 3.99Å; L173-Y180 HydrophobicContact CD1-CD2 4.32Å; L173-Y180 HydrophobicContact CD1-CE2 3.86Å; L173-F430 HydrophobicContact CD1-CB 4.42Å; L173-F430 HydrophobicContact CD1-CG 4.27Å; L173-F430 HydrophobicContact CD2-CZ 4.45Å
174	M	86.4	Confident	83.4	Confident	51 Å²	51	52.7 Å²	52.7	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-29	177.8	-178.9	168.3	146.8	0	0	113.4	R170 V171 W172 Y180 A183 S184 I187	R170-M174 VanDerWaalsContact O-CB 3.28Å; R170-M174 WeakPolarHBondContact O-CB 3.48Å; R170-M174 PolarHBondContact O-N 2.99Å; V171-M174 PolarHBondContact O-N 3.39Å; W172-M174 VanDerWaalsContact C-N 3.25Å; W172-M174 PolarHBondContact O-N 3.47Å; M174-Y180 HydrophobicContact CB-CD1 4.28Å; M174-A183 HydrophobicContact CE-CB 3.78Å; M174-A183 HydrophobicContact SD-CB 3.97Å; M174-S184 WeakPolarHBondContact O-CB 3.47Å; M174-I187 HydrophobicContact CE-CD1 3.15Å; M174-I187 HydrophobicContact CE-CG1 4.2Å
175	L	86.7	Confident	83.9	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-91	-30	-179.5	-70.3	175.4	0	0	0	114	V171 W172 L173 I187 R243	V171-L175 HydrophobicContact CG1-CD1 4.02Å; V171-L175 HydrophobicContact CG1-CG 4.45Å; V171-L175 WeakPolarHBondContact O-CG 3.37Å; V171-L175 PolarHBondContact O-N 3.3Å; V171-L175 VanDerWaalsContact O-N 3.08Å; W172-L175 PolarHBondContact O-N 2.77Å; L173-L175 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.71Å; L175-I187 HydrophobicContact CD2-CG2 4.33Å; L175-R243 HydrophobicContact CB-CG 4.37Å; L175-R243 HydrophobicContact CD1-CG 4.13Å; L175-R243 PolarHBondContact O-NH2 3.45Å; L175-R243 VanDerWaalsContact O-NH2 3.16Å
176	D	81.7	Confident	84.6	Confident	58 Å²	58	57.1 Å²	57.1	31%	0.31	30%	0.304	S	S	.	.	H	α-helix	trans	-97.1	-31.3	-178.6	-102.4	-10.4	0	0	0	113.6	W172 P178 R308	W172-D176 PolarHBondContact NE1-OD2 3.42Å; W172-D176 PolarHBondContact O-N 3.31Å; D176-P178 WeakPolarHBondContact O-CD 3.2Å; D176-R308 IonicContact OD1-NH1 3.36Å; D176-R308 PolarHBondContact OD1-NH1 2.83Å
177	N	79.8	Confident	85.2	Confident	14 Å²	14	54.6 Å²	54.6	8%	0.075	28%	0.283	C	S	.	.			trans	-110.3	101.8	178.9	-172.9	-9	0	0	0	111.1	L173 G179 Y180 S184 M425	L173-N177 WeakPolarHBondContact O-CA 3.19Å; L173-N177 WeakPolarHBondContact O-CB 3.46Å; L173-N177 PolarHBondContact O-N 3.31Å; N177-G179 PolarHBondContact O-N 3.47Å; N177-G179 VanDerWaalsContact O-N 3.08Å; N177-G179 WeakPolarHBondContact OD1-CA 3.25Å; N177-G179 PolarHBondContact OD1-N 2.73Å; N177-Y180 WeakPolarHBondContact O-CB 3.5Å; N177-Y180 PolarHBondContact O-N 2.92Å; N177-Y180 VanDerWaalsContact O-N 3.13Å; N177-S184 WeakPolarHBondContact O-CB 3.37Å; N177-S184 PolarHBondContact O-OG 3.27Å; N177-M425 PolarHBondContact ND2-O 3.42Å
178	P	80.4	Confident	85.5	Confident	48 Å²	48	52.6 Å²	52.6	31%	0.312	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.1	176	-24.7	33.6	0	0	0	113.1	D176 S184 R185 S188	D176-P178 WeakPolarHBondContact O-CD 3.2Å; P178-S184 PolarHBondContact O-OG 3.11Å; P178-R185 WeakPolarHBondContact O-CG 2.98Å; P178-R185 PolarHBondContact O-N 3.2Å; P178-S188 WeakPolarHBondContact CB-OG 3.32Å
179	G	75.4	Confident	85.8	Confident	17 Å²	17	54.9 Å²	54.9	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.2	-177.8	0	0	0	0	0	115.5	N177 S181	N177-G179 PolarHBondContact O-N 3.47Å; N177-G179 VanDerWaalsContact O-N 3.08Å; N177-G179 WeakPolarHBondContact OD1-CA 3.25Å; N177-G179 PolarHBondContact OD1-N 2.73Å; G179-S181 PolarHBondContact O-N 2.9Å
180	Y	80.4	Confident	86.2	Confident	73 Å²	73	55.8 Å²	55.8	29%	0.286	29%	0.289	S	S	.	.	S	Bend	trans	-63	-42	-171.5	176.4	-114.3	0	0	0	113.9	R170 L173 M174 N177 S184	R170-Y180 HydrophobicContact CG-CE1 4.09Å; L173-Y180 HydrophobicContact CB-CD1 3.99Å; L173-Y180 HydrophobicContact CB-CD2 4.09Å; L173-Y180 HydrophobicContact CB-CE1 4.12Å; L173-Y180 HydrophobicContact CB-CE2 4.22Å; L173-Y180 HydrophobicContact CB-CG 3.99Å; L173-Y180 HydrophobicContact CD1-CD2 4.32Å; L173-Y180 HydrophobicContact CD1-CE2 3.86Å; M174-Y180 HydrophobicContact CB-CD1 4.28Å; N177-Y180 WeakPolarHBondContact O-CB 3.5Å; N177-Y180 PolarHBondContact O-N 2.92Å; N177-Y180 VanDerWaalsContact O-N 3.13Å; Y180-S184 PolarHBondContact N-OG 2.86Å
181	S	86.1	Confident	86.7	Confident	37 Å²	37	48.9 Å²	48.9	26%	0.259	26%	0.263	S	S	.	.			trans	-150.5	168.4	-177.6	65.6	0	0	0	0	112.2	G179 A183 S184 R185	G179-S181 PolarHBondContact O-N 2.9Å; S181-A183 PolarHBondContact O-N 3.13Å; S181-A183 PolarHBondContact OG-N 2.78Å; S181-S184 PolarHBondContact N-OG 3.07Å; S181-S184 PolarHBondContact O-N 3.47Å; S181-S184 PolarHBondContact O-OG 2.74Å; S181-S184 PolarHBondContact OG-N 3.4Å; S181-S184 PolarHBondContact OG-OG 2.92Å; S181-R185 WeakPolarHBondContact O-CG 3.46Å; S181-R185 PolarHBondContact O-N 2.52Å
182	V	87.2	Confident	86.9	Confident	110 Å²	110	48.2 Å²	48.2	67%	0.667	26%	0.257	S	S	*	.	H	α-helix	trans	-60.6	-36.6	170.8	179.9	0	0	0	0	110.6	R185 I186	V182-R185 PolarHBondContact O-N 3.08Å; V182-I186 HydrophobicContact CG1-CD1 4.13Å; V182-I186 WeakPolarHBondContact O-CG1 3.45Å; V182-I186 PolarHBondContact O-N 3.29Å
183	A	88.6	Confident	87.2	Confident	42 Å²	42	52.5 Å²	52.5	35%	0.347	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-41.9	177.1	0	0	0	0	0	112.5	M174 S181 R185 I186 I187	M174-A183 HydrophobicContact CE-CB 3.78Å; M174-A183 HydrophobicContact SD-CB 3.97Å; S181-A183 PolarHBondContact O-N 3.13Å; S181-A183 PolarHBondContact OG-N 2.78Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.86Å; A183-I186 PolarHBondContact O-N 3.43Å; A183-I187 WeakPolarHBondContact O-CG1 3.33Å; A183-I187 PolarHBondContact O-N 2.82Å
184	S	87.7	Confident	87.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-35.6	176.2	60.9	0	0	0	0	112.1	M174 N177 P178 Y180 S181 S188	M174-S184 WeakPolarHBondContact O-CB 3.47Å; N177-S184 WeakPolarHBondContact O-CB 3.37Å; N177-S184 PolarHBondContact O-OG 3.27Å; P178-S184 PolarHBondContact O-OG 3.11Å; Y180-S184 PolarHBondContact N-OG 2.86Å; S181-S184 PolarHBondContact N-OG 3.07Å; S181-S184 PolarHBondContact O-N 3.47Å; S181-S184 PolarHBondContact O-OG 2.74Å; S181-S184 PolarHBondContact OG-N 3.4Å; S181-S184 PolarHBondContact OG-OG 2.92Å; S184-S188 VanDerWaalsContact O-CB 3.3Å; S184-S188 WeakPolarHBondContact O-CB 3.48Å; S184-S188 PolarHBondContact O-N 3.21Å; S184-S188 PolarHBondContact O-OG 3.42Å
185	R	89.3	Confident	88.1	Confident	137 Å²	137	50.8 Å²	50.8	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-45.9	173.7	-66.5	-178.7	-174.5	-178.4	3.1	111.6	P178 S181 V182 A183 S188 I189	P178-R185 WeakPolarHBondContact O-CG 2.98Å; P178-R185 PolarHBondContact O-N 3.2Å; S181-R185 WeakPolarHBondContact O-CG 3.46Å; S181-R185 PolarHBondContact O-N 2.52Å; V182-R185 PolarHBondContact O-N 3.08Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.86Å; R185-S188 PolarHBondContact O-N 2.92Å; R185-I189 WeakPolarHBondContact O-CB 3.4Å; R185-I189 VanDerWaalsContact O-CG1 3.27Å; R185-I189 WeakPolarHBondContact O-CG1 3.49Å; R185-I189 PolarHBondContact O-N 2.93Å
186	I	91.7	Very high	88.4	Confident	107 Å²	107	53.9 Å²	53.9	55%	0.549	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-47.9	178.2	-67.6	168.3	0	0	0	110.5	V182 A183 S188 I189 L190	V182-I186 HydrophobicContact CG1-CD1 4.13Å; V182-I186 WeakPolarHBondContact O-CG1 3.45Å; V182-I186 PolarHBondContact O-N 3.29Å; A183-I186 PolarHBondContact O-N 3.43Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.36Å; I186-I189 PolarHBondContact O-N 2.95Å; I186-L190 WeakPolarHBondContact O-CB 3.5Å; I186-L190 PolarHBondContact O-N 3.31Å
187	I	90.9	Very high	89	Confident	41 Å²	41	52.6 Å²	52.6	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-46.6	177	-69.9	-175.3	0	0	0	110.6	M174 L175 A183 I189 L190 S191	M174-I187 HydrophobicContact CE-CD1 3.15Å; M174-I187 HydrophobicContact CE-CG1 4.2Å; L175-I187 HydrophobicContact CD2-CG2 4.33Å; A183-I187 WeakPolarHBondContact O-CG1 3.33Å; A183-I187 PolarHBondContact O-N 2.82Å; I187-I189 VanDerWaalsContact C-N 3.34Å; I187-I189 PolarHBondContact O-N 3.39Å; I187-L190 WeakPolarHBondContact O-CB 3.49Å; I187-L190 PolarHBondContact O-N 3.49Å; I187-S191 PolarHBondContact O-N 3.05Å; I187-S191 PolarHBondContact O-OG 2.71Å
188	S	89.8	Confident	89.6	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-42.4	179.8	-61.3	0	0	0	0	112.3	P178 S184 R185 I186 S191 I192	P178-S188 WeakPolarHBondContact CB-OG 3.32Å; S184-S188 VanDerWaalsContact O-CB 3.3Å; S184-S188 WeakPolarHBondContact O-CB 3.48Å; S184-S188 PolarHBondContact O-N 3.21Å; S184-S188 PolarHBondContact O-OG 3.42Å; R185-S188 PolarHBondContact O-N 2.92Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 3.36Å; S188-S191 PolarHBondContact O-N 2.67Å; S188-I192 WeakPolarHBondContact O-CD1 3.29Å; S188-I192 VanDerWaalsContact O-CG1 3.23Å; S188-I192 WeakPolarHBondContact O-CG1 3.48Å; S188-I192 PolarHBondContact O-N 3.45Å
189	I	92.1	Very high	90.1	Very high	102 Å²	102	51.4 Å²	51.4	52%	0.523	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-44.3	175.6	-69.5	165.9	0	0	0	110.4	R185 I186 I187 I192 L193	R185-I189 WeakPolarHBondContact O-CB 3.4Å; R185-I189 VanDerWaalsContact O-CG1 3.27Å; R185-I189 WeakPolarHBondContact O-CG1 3.49Å; R185-I189 PolarHBondContact O-N 2.93Å; I186-I189 PolarHBondContact O-N 2.95Å; I187-I189 VanDerWaalsContact C-N 3.34Å; I187-I189 PolarHBondContact O-N 3.39Å; I189-I192 PolarHBondContact O-N 3.02Å; I189-L193 HydrophobicContact CG2-CD1 4.08Å; I189-L193 HydrophobicContact CG2-CG 4.43Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 2.91Å
190	L	93.4	Very high	90.8	Very high	71 Å²	71	53 Å²	53	37%	0.372	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-45	177.7	-177.5	60	0	0	0	111.6	I186 I187 I192 L193 V194 W235	I186-L190 WeakPolarHBondContact O-CB 3.5Å; I186-L190 PolarHBondContact O-N 3.31Å; I187-L190 WeakPolarHBondContact O-CB 3.49Å; I187-L190 PolarHBondContact O-N 3.49Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 PolarHBondContact O-N 3.16Å; L190-L193 PolarHBondContact O-N 3.12Å; L190-V194 HydrophobicContact CD1-CG2 4.46Å; L190-V194 WeakPolarHBondContact O-CG2 3.3Å; L190-V194 PolarHBondContact O-N 3.23Å; L190-W235 HydrophobicContact CB-CZ2 4.48Å; L190-W235 HydrophobicContact CD2-CH2 3.24Å; L190-W235 HydrophobicContact CD2-CZ2 3.57Å; L190-W235 HydrophobicContact CD2-CZ3 3.97Å; L190-W235 HydrophobicContact CG-CH2 3.98Å; L190-W235 HydrophobicContact CG-CZ2 3.81Å
191	S	92.9	Very high	91.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-46	174.3	-59.4	0	0	0	0	111.8	I187 S188 V194 V195 E239	I187-S191 PolarHBondContact O-N 3.05Å; I187-S191 PolarHBondContact O-OG 2.71Å; S188-S191 PolarHBondContact O-N 2.67Å; S191-V194 PolarHBondContact O-N 3.46Å; S191-V195 WeakPolarHBondContact O-CG2 3.13Å; S191-V195 PolarHBondContact O-N 2.76Å; S191-E239 WeakPolarHBondContact CB-OE1 3.25Å; S191-E239 PolarHBondContact OG-OE1 3.49Å
192	I	93.1	Very high	91.3	Very high	52 Å²	52	51 Å²	51	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-45	176.7	-65.6	162.8	0	0	0	110.7	S188 I189 L190 V194 V195 L196 H309	S188-I192 WeakPolarHBondContact O-CD1 3.29Å; S188-I192 VanDerWaalsContact O-CG1 3.23Å; S188-I192 WeakPolarHBondContact O-CG1 3.48Å; S188-I192 PolarHBondContact O-N 3.45Å; I189-I192 PolarHBondContact O-N 3.02Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 PolarHBondContact O-N 3.16Å; I192-V194 VanDerWaalsContact C-N 3.35Å; I192-V194 PolarHBondContact O-N 3.23Å; I192-V195 PolarHBondContact O-N 3.45Å; I192-L196 HydrophobicContact CG2-CD1 3.9Å; I192-L196 HydrophobicContact CG2-CG 4.25Å; I192-L196 WeakPolarHBondContact O-CG 3.18Å; I192-L196 PolarHBondContact O-N 3.43Å; I192-H309 HydrophobicContact CD1-CB 3.71Å; I192-H309 HydrophobicContact CG1-CB 3.67Å
193	L	94.6	Very high	91.3	Very high	106 Å²	106	48.8 Å²	48.8	56%	0.555	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-40.8	178.7	-71.5	173.7	0	0	0	112.2	I189 L190 L196 G197	I189-L193 HydrophobicContact CG2-CD1 4.08Å; I189-L193 HydrophobicContact CG2-CG 4.43Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 2.91Å; L190-L193 PolarHBondContact O-N 3.12Å; L193-L196 PolarHBondContact O-N 3.19Å; L193-G197 PolarHBondContact O-N 3.12Å
194	V	94.8	Very high	91.2	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-41	175.6	175.7	0	0	0	0	111	L190 S191 I192 G197 S198 F231 W235 F236	L190-V194 HydrophobicContact CD1-CG2 4.46Å; L190-V194 WeakPolarHBondContact O-CG2 3.3Å; L190-V194 PolarHBondContact O-N 3.23Å; S191-V194 PolarHBondContact O-N 3.46Å; I192-V194 VanDerWaalsContact C-N 3.35Å; I192-V194 PolarHBondContact O-N 3.23Å; V194-G197 PolarHBondContact O-N 3.41Å; V194-S198 VanDerWaalsContact O-CB 3.26Å; V194-S198 WeakPolarHBondContact O-CB 3.08Å; V194-S198 PolarHBondContact O-N 2.86Å; V194-F231 HydrophobicContact CG2-CE1 4.38Å; V194-W235 HydrophobicContact CB-CG 4.45Å; V194-W235 HydrophobicContact CG1-CB 4.09Å; V194-W235 HydrophobicContact CG1-CG 4.06Å; V194-W235 HydrophobicContact CG2-CD2 4.37Å; V194-W235 HydrophobicContact CG2-CG 4.13Å; V194-F236 HydrophobicContact CB-CE1 4.44Å; V194-F236 HydrophobicContact CG1-CD1 4.46Å; V194-F236 HydrophobicContact CG1-CE1 3.75Å; V194-F236 HydrophobicContact CG1-CZ 4.15Å
195	V	93.6	Very high	91	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-49.1	174.7	174.1	0	0	0	0	111.4	S191 I192 G197 S198 I199 F236 K305 L306	S191-V195 WeakPolarHBondContact O-CG2 3.13Å; S191-V195 PolarHBondContact O-N 2.76Å; I192-V195 PolarHBondContact O-N 3.45Å; V195-G197 PolarHBondContact O-N 3.48Å; V195-S198 WeakPolarHBondContact O-CB 3.42Å; V195-S198 PolarHBondContact O-N 3.46Å; V195-I199 HydrophobicContact CG1-CD1 3.82Å; V195-I199 VanDerWaalsContact O-CG1 3.3Å; V195-I199 WeakPolarHBondContact O-CG1 3.38Å; V195-I199 PolarHBondContact O-N 3.19Å; V195-F236 HydrophobicContact CB-CZ 4.43Å; V195-F236 HydrophobicContact CG2-CE1 3.6Å; V195-F236 HydrophobicContact CG2-CZ 3.71Å; V195-K305 HydrophobicContact CG2-CB 4.2Å; V195-K305 HydrophobicContact CG2-CD 3.76Å; V195-K305 HydrophobicContact CG2-CG 4.1Å; V195-L306 HydrophobicContact CB-CD2 4.26Å; V195-L306 HydrophobicContact CG1-CD2 3.67Å; V195-L306 HydrophobicContact CG1-CG 3.8Å
196	L	93.6	Very high	90.7	Very high	88 Å²	88	50 Å²	50	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-42.7	178.7	-68.3	176.8	0	0	0	111.9	I192 L193 S198 I199 A200 L306	I192-L196 HydrophobicContact CG2-CD1 3.9Å; I192-L196 HydrophobicContact CG2-CG 4.25Å; I192-L196 WeakPolarHBondContact O-CG 3.18Å; I192-L196 PolarHBondContact O-N 3.43Å; L193-L196 PolarHBondContact O-N 3.19Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 3.46Å; L196-I199 PolarHBondContact O-N 2.99Å; L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 3.07Å; L196-L306 HydrophobicContact CD2-CD2 4.48Å
197	G	93.1	Very high	90.4	Very high	30 Å²	30	48.8 Å²	48.8	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-43.8	174.6	0	0	0	0	0	111.9	L193 V194 V195 I199 A200 T201	L193-G197 PolarHBondContact O-N 3.12Å; V194-G197 PolarHBondContact O-N 3.41Å; V195-G197 PolarHBondContact O-N 3.48Å; G197-I199 PolarHBondContact O-N 3.39Å; G197-A200 PolarHBondContact O-N 2.99Å; G197-T201 PolarHBondContact O-N 3.11Å; G197-T201 PolarHBondContact O-OG1 3.43Å; G197-T201 VanDerWaalsContact O-OG1 3.08Å
198	S	92	Very high	89.7	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-42.4	175.9	-165.1	0	0	0	0	112	V194 V195 L196 T201 M202 R302	V194-S198 VanDerWaalsContact O-CB 3.26Å; V194-S198 WeakPolarHBondContact O-CB 3.08Å; V194-S198 PolarHBondContact O-N 2.86Å; V195-S198 WeakPolarHBondContact O-CB 3.42Å; V195-S198 PolarHBondContact O-N 3.46Å; L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 3.46Å; S198-T201 PolarHBondContact O-N 3.37Å; S198-M202 PolarHBondContact O-N 3.48Å; S198-R302 PolarHBondContact O-NH2 2.93Å; S198-R302 VanDerWaalsContact OG-CD 3.3Å; S198-R302 WeakPolarHBondContact OG-CD 3.31Å; S198-R302 PolarHBondContact OG-NE 3.21Å; S198-R302 PolarHBondContact OG-NH1 2.86Å; S198-R302 VanDerWaalsContact OG-NH1 3.13Å
199	I	91.1	Very high	89.2	Confident	33 Å²	33	58.6 Å²	58.6	17%	0.169	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-45.3	174.4	-65.5	161.4	0	0	0	110.7	V195 L196 G197 T201 M202 C203 I303 L306	V195-I199 HydrophobicContact CG1-CD1 3.82Å; V195-I199 VanDerWaalsContact O-CG1 3.3Å; V195-I199 WeakPolarHBondContact O-CG1 3.38Å; V195-I199 PolarHBondContact O-N 3.19Å; L196-I199 PolarHBondContact O-N 2.99Å; G197-I199 PolarHBondContact O-N 3.39Å; I199-T201 PolarHBondContact O-N 3.11Å; I199-M202 WeakPolarHBondContact O-CA 3.36Å; I199-M202 WeakPolarHBondContact O-CB 3.25Å; I199-M202 PolarHBondContact O-N 2.88Å; I199-M202 VanDerWaalsContact O-N 3.08Å; I199-C203 PolarHBondContact O-N 3.37Å; I199-C203 PolarHBondContact O-SG 3.08Å; I199-C203 VanDerWaalsContact O-SG 3.37Å; I199-I303 HydrophobicContact CD1-CB 4.28Å; I199-I303 HydrophobicContact CD1-CD1 4.47Å; I199-I303 HydrophobicContact CD1-CG1 3.87Å; I199-L306 HydrophobicContact CD1-CD1 4.23Å
200	A	91.8	Very high	88.6	Confident	51 Å²	51	57.5 Å²	57.5	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-46.3	178	0	0	0	0	0	111.6	L196 G197 M202 C203 M204	L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 3.07Å; G197-A200 PolarHBondContact O-N 2.99Å; A200-M202 VanDerWaalsContact C-N 3.28Å; A200-M202 PolarHBondContact O-N 3.19Å; A200-C203 PolarHBondContact O-N 3.44Å; A200-C203 VanDerWaalsContact O-N 3.15Å; A200-M204 WeakPolarHBondContact O-CG 3.47Å; A200-M204 PolarHBondContact O-N 2.93Å
201	T	89.5	Confident	87.7	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-36.9	174.1	-57.9	0	0	0	0	112.2	G197 S198 I199 C203 M204 N205 F225 V228	G197-T201 PolarHBondContact O-N 3.11Å; G197-T201 PolarHBondContact O-OG1 3.43Å; G197-T201 VanDerWaalsContact O-OG1 3.08Å; S198-T201 PolarHBondContact O-N 3.37Å; I199-T201 PolarHBondContact O-N 3.11Å; T201-C203 PolarHBondContact O-N 3.27Å; T201-M204 PolarHBondContact O-N 3.04Å; T201-N205 WeakPolarHBondContact O-CB 3.4Å; T201-N205 PolarHBondContact O-N 2.82Å; T201-F225 HydrophobicContact CG2-CB 3.73Å; T201-F225 HydrophobicContact CG2-CD1 3.87Å; T201-F225 HydrophobicContact CG2-CG 4.16Å; T201-V228 WeakPolarHBondContact OG1-CG1 3.48Å
202	M	86.4	Confident	87.1	Confident	57 Å²	57	59.3 Å²	59.3	28%	0.281	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-47.9	173.8	-149.7	-178.8	70.7	0	0	111.8	S198 I199 A200 N205 S206 I300	S198-M202 PolarHBondContact O-N 3.48Å; I199-M202 WeakPolarHBondContact O-CA 3.36Å; I199-M202 WeakPolarHBondContact O-CB 3.25Å; I199-M202 PolarHBondContact O-N 2.88Å; I199-M202 VanDerWaalsContact O-N 3.08Å; A200-M202 VanDerWaalsContact C-N 3.28Å; A200-M202 PolarHBondContact O-N 3.19Å; M202-N205 PolarHBondContact O-N 3.46Å; M202-S206 PolarHBondContact O-N 2.89Å; M202-I300 HydrophobicContact CE-CB 4.28Å; M202-I300 HydrophobicContact CE-CD1 4.15Å; M202-I300 HydrophobicContact CE-CG1 3.98Å; M202-I300 HydrophobicContact SD-CB 4.24Å
203	C	87.5	Confident	86.3	Confident	62 Å²	62	62.9 Å²	62.9	42%	0.419	36%	0.362	S	S	.	.	H	α-helix	trans	-66.6	-42.6	-178.7	-63.3	0	0	0	0	110.4	I199 A200 T201 N205 S206	I199-C203 PolarHBondContact O-N 3.37Å; I199-C203 PolarHBondContact O-SG 3.08Å; I199-C203 VanDerWaalsContact O-SG 3.37Å; A200-C203 PolarHBondContact O-N 3.44Å; A200-C203 VanDerWaalsContact O-N 3.15Å; T201-C203 PolarHBondContact O-N 3.27Å; C203-N205 PolarHBondContact O-N 3.2Å; C203-S206 PolarHBondContact O-N 3.3Å; C203-S206 VanDerWaalsContact O-N 3.15Å; C203-S206 PolarHBondContact O-OG 3.5Å
204	M	87	Confident	85.3	Confident	64 Å²	64	60.6 Å²	60.6	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.8	-67.9	179.4	76.8	0	0	111.9	A200 T201 S206 M207 F210 F225	A200-M204 WeakPolarHBondContact O-CG 3.47Å; A200-M204 PolarHBondContact O-N 2.93Å; T201-M204 PolarHBondContact O-N 3.04Å; M204-S206 PolarHBondContact O-N 3.49Å; M204-M207 PolarHBondContact O-N 3.44Å; M204-M207 VanDerWaalsContact O-N 3.08Å; M204-F210 HydrophobicContact CB-CD2 4.28Å; M204-F210 HydrophobicContact CE-CD1 4.35Å; M204-F210 HydrophobicContact CE-CD2 4.46Å; M204-F210 HydrophobicContact CE-CE1 3.97Å; M204-F210 HydrophobicContact CE-CE2 4.12Å; M204-F210 HydrophobicContact CE-CZ 3.86Å; M204-F225 HydrophobicContact CB-CE1 4.19Å; M204-F225 HydrophobicContact CB-CZ 4.3Å; M204-F225 HydrophobicContact CE-CE1 3.61Å; M204-F225 HydrophobicContact CE-CZ 3.6Å; M204-F225 HydrophobicContact SD-CE1 3.92Å; M204-F225 HydrophobicContact SD-CZ 4.43Å
205	N	83.4	Confident	84.2	Confident	43 Å²	43	65.1 Å²	65.1	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-22.6	176.2	-79.5	-2.1	0	0	0	113.5	T201 M202 C203 M207 F225	T201-N205 WeakPolarHBondContact O-CB 3.4Å; T201-N205 PolarHBondContact O-N 2.82Å; M202-N205 PolarHBondContact O-N 3.46Å; C203-N205 PolarHBondContact O-N 3.2Å; N205-M207 VanDerWaalsContact C-N 3.35Å; N205-F225 WeakPolarHBondContact OD1-CB 3.41Å; N205-F225 WeakPolarHBondContact OD1-CD2 3.47Å; N205-F225 WeakPolarHBondContact OD1-CG 3.33Å
206	S	83.1	Confident	83.1	Confident	98 Å²	98	75.1 Å²	75.1	69%	0.685	42%	0.421	S	S	*	.	H	α-helix	trans	-80.1	-16	176.8	75	0	0	0	0	113.9	M202 C203 M204	M202-S206 PolarHBondContact O-N 2.89Å; C203-S206 PolarHBondContact O-N 3.3Å; C203-S206 VanDerWaalsContact O-N 3.15Å; C203-S206 PolarHBondContact O-OG 3.5Å; M204-S206 PolarHBondContact O-N 3.49Å
207	M	83.8	Confident	81.9	Confident	82 Å²	82	72.8 Å²	72.8	40%	0.404	42%	0.418	S	S	.	.	S	Bend	trans	-87.3	128.7	-179.3	-64.4	173.2	63.3	0	0	110.3	M204 N205 E209 F210	M204-M207 PolarHBondContact O-N 3.44Å; M204-M207 VanDerWaalsContact O-N 3.08Å; N205-M207 VanDerWaalsContact C-N 3.35Å; M207-E209 PolarHBondContact O-N 3.43Å; M207-F210 HydrophobicContact CB-CD2 3.94Å; M207-F210 HydrophobicContact CE-CD2 4.41Å; M207-F210 HydrophobicContact CE-CE2 3.93Å; M207-F210 PolarHBondContact O-N 3.45Å; M207-F210 VanDerWaalsContact O-N 3.16Å; M207-F210 HydrophobicContact SD-CD2 4.19Å; M207-F210 HydrophobicContact SD-CE2 3.92Å
208	S	76.9	Confident	80.8	Confident	98 Å²	98	77.6 Å²	77.6	69%	0.685	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.6	179.9	52.6	0	0	0	0	113.5	F210 S211	S208-F210 PolarHBondContact O-N 2.72Å; S208-S211 PolarHBondContact O-N 2.94Å; S208-S211 VanDerWaalsContact O-N 3.14Å; S208-S211 PolarHBondContact O-OG 3.32Å
209	E	80.2	Confident	79.7	Confident	160 Å²	160	81.7 Å²	81.7	75%	0.748	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-61	-28.1	177	-65	177.7	177.9	0	0	113.5	M207	M207-E209 PolarHBondContact O-N 3.43Å
210	F	78.3	Confident	78.8	Confident	79 Å²	79	82.9 Å²	82.9	35%	0.346	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-100	0	179.5	-65.1	-66.2	0	0	0	112.9	M204 M207 S208 F225	M204-F210 HydrophobicContact CB-CD2 4.28Å; M204-F210 HydrophobicContact CE-CD1 4.35Å; M204-F210 HydrophobicContact CE-CD2 4.46Å; M204-F210 HydrophobicContact CE-CE1 3.97Å; M204-F210 HydrophobicContact CE-CE2 4.12Å; M204-F210 HydrophobicContact CE-CZ 3.86Å; M207-F210 HydrophobicContact CB-CD2 3.94Å; M207-F210 HydrophobicContact CE-CD2 4.41Å; M207-F210 HydrophobicContact CE-CE2 3.93Å; M207-F210 PolarHBondContact O-N 3.45Å; M207-F210 VanDerWaalsContact O-N 3.16Å; M207-F210 HydrophobicContact SD-CD2 4.19Å; M207-F210 HydrophobicContact SD-CE2 3.92Å; S208-F210 PolarHBondContact O-N 2.72Å; F210-F225 HydrophobicContact CB-CE2 3.91Å; F210-F225 HydrophobicContact CB-CZ 4.41Å; F210-F225 HydrophobicContact CD1-CE2 4.35Å; F210-F225 HydrophobicContact CD1-CZ 4.15Å; F210-F225 HydrophobicContact CG-CE2 4.32Å; F210-F225 HydrophobicContact CG-CZ 4.34Å
211	S	76.3	Confident	77.9	Confident	43 Å²	43	83.1 Å²	83.1	30%	0.301	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-79.3	129.6	173.9	70.5	0	0	0	0	110.5	S208	S208-S211 PolarHBondContact O-N 2.94Å; S208-S211 VanDerWaalsContact O-N 3.14Å; S208-S211 PolarHBondContact O-OG 3.32Å
212	V	78.4	Confident	77.5	Confident	67 Å²	67	84.3 Å²	84.3	41%	0.406	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.8	178.5	-177.3	0	0	0	0	108.2	D214 T220 D222	V212-D214 PolarHBondContact O-N 3.37Å; V212-T220 PolarHBondContact N-O 3.45Å; V212-T220 WeakPolarHBondContact O-CA 3.25Å; V212-T220 PolarHBondContact O-N 2.88Å; V212-T220 PolarHBondContact O-OG1 3.31Å; V212-D222 HydrophobicContact CG2-CB 3.98Å
213	L	76.6	Confident	77.4	Confident	126 Å²	126	85.4 Å²	85.4	66%	0.66	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.4	174.1	-67.9	104.8	0	0	0	109.9	G217 E218	L213-G217 WeakPolarHBondContact CD2-O 3.24Å; L213-E218 WeakPolarHBondContact CA-O 3.36Å
214	D	73.8	Confident	77.4	Confident	58 Å²	58	91.6 Å²	91.6	31%	0.31	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-64.2	165	170.1	-173	15.9	0	0	0	110	V212 R216 G217 E218 T220	V212-D214 PolarHBondContact O-N 3.37Å; D214-R216 PolarHBondContact O-N 3.22Å; D214-R216 IonicContact OD2-NE 3.25Å; D214-G217 PolarHBondContact O-N 3.09Å; D214-E218 PolarHBondContact N-O 3.42Å; D214-T220 HydrophobicContact CB-CG2 3.78Å
215	S	71.9	Confident	77.3	Confident	113 Å²	113	89.9 Å²	89.9	79%	0.79	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-17.2	168.1	53.2	0	0	0	0	115.3
216	R	70.7	Confident	77.4	Confident	209 Å²	209	91.5 Å²	91.5	79%	0.789	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.5	175.2	-71.5	-177.4	-99.4	-155.3	-7	115.1	D214 E218	D214-R216 PolarHBondContact O-N 3.22Å; D214-R216 IonicContact OD2-NE 3.25Å; R216-E218 VanDerWaalsContact C-N 3.34Å
217	G	67.9	Low	77.7	Confident	40 Å²	40	91.3 Å²	91.3	41%	0.412	48%	0.484	S	S	.	.	S	Bend	trans	80.9	8.8	-177.9	0	0	0	0	0	114.8	L213 D214	L213-G217 WeakPolarHBondContact CD2-O 3.24Å; D214-G217 PolarHBondContact O-N 3.09Å
218	E	71.3	Confident	78	Confident	130 Å²	130	90.6 Å²	90.6	61%	0.607	48%	0.484	S	S	*	.			trans	-91	140.8	177.1	-65.1	-63.6	-66.8	0	0	110.6	L213 D214 R216 T220	L213-E218 WeakPolarHBondContact CA-O 3.36Å; D214-E218 PolarHBondContact N-O 3.42Å; R216-E218 VanDerWaalsContact C-N 3.34Å; E218-T220 PolarHBondContact O-N 3.43Å
219	P	68.1	Low	78.5	Confident	92 Å²	92	86.4 Å²	86.4	60%	0.597	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	123.4	176.5	26.9	-32	0	0	0	110.5
220	T	71.8	Confident	79.1	Confident	58 Å²	58	83.5 Å²	83.5	36%	0.356	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.7	178.4	48.6	0	0	0	0	111.3	V212 D214 E218	V212-T220 PolarHBondContact N-O 3.45Å; V212-T220 WeakPolarHBondContact O-CA 3.25Å; V212-T220 PolarHBondContact O-N 2.88Å; V212-T220 PolarHBondContact O-OG1 3.31Å; D214-T220 HydrophobicContact CB-CG2 3.78Å; E218-T220 PolarHBondContact O-N 3.43Å
221	E	73.8	Confident	79.8	Confident	56 Å²	56	86 Å²	86	26%	0.262	45%	0.451	S	S	.	.			trans	-68.6	136.7	179.1	-63.6	178.6	-152	0	0	109.6	P223 E226 R296	E221-P223 WeakPolarHBondContact O-CD 3.46Å; E221-E226 HydrophobicContact CB-CG 4.33Å; E221-R296 IonicContact OE1-NH1 2.71Å; E221-R296 PolarHBondContact OE1-NH1 3.4Å
222	D	81.5	Confident	80.7	Confident	36 Å²	36	84.1 Å²	84.1	19%	0.193	44%	0.438	C	S	.	.			trans	-65.9	127.9	176.6	-175.5	-28.4	0	0	0	109.4	V212 R224 F225 E226	V212-D222 HydrophobicContact CG2-CB 3.98Å; D222-R224 PolarHBondContact O-N 3.2Å; D222-R224 WeakPolarHBondContact OD1-CB 3.42Å; D222-R224 VanDerWaalsContact OD1-CG 3.32Å; D222-R224 WeakPolarHBondContact OD1-CG 3.32Å; D222-R224 PolarHBondContact OD1-N 2.75Å; D222-F225 HydrophobicContact CB-CD2 3.61Å; D222-F225 HydrophobicContact CB-CE2 3.92Å; D222-F225 PolarHBondContact O-N 2.87Å; D222-E226 PolarHBondContact O-N 2.79Å
223	P	84.1	Confident	81.4	Confident	80 Å²	80	81.3 Å²	81.3	52%	0.519	42%	0.421	S	S	.	.	H	α-helix	trans	-51.2	-26.2	177.7	-28.3	33.9	0	0	0	114.9	E221 T227	E221-P223 WeakPolarHBondContact O-CD 3.46Å; P223-T227 PolarHBondContact O-N 2.87Å; P223-T227 PolarHBondContact O-OG1 2.9Å
224	R	86.6	Confident	82.3	Confident	191 Å²	191	77.2 Å²	77.2	72%	0.721	41%	0.409	S	S	*	.	H	α-helix	trans	-66.5	-42.5	177	-63.3	172.8	-173.3	-153.6	3	111.8	D222 T227 V228	D222-R224 PolarHBondContact O-N 3.2Å; D222-R224 WeakPolarHBondContact OD1-CB 3.42Å; D222-R224 VanDerWaalsContact OD1-CG 3.32Å; D222-R224 WeakPolarHBondContact OD1-CG 3.32Å; D222-R224 PolarHBondContact OD1-N 2.75Å; R224-T227 WeakPolarHBondContact O-CB 3.41Å; R224-T227 PolarHBondContact O-N 3.47Å; R224-V228 WeakPolarHBondContact O-CG2 3.38Å; R224-V228 PolarHBondContact O-N 3.23Å
225	F	86.1	Confident	83.4	Confident	28 Å²	28	77.1 Å²	77.1	12%	0.123	40%	0.404	C	S	.	.	H	α-helix	trans	-71.9	-36.3	178.8	-64	-54.6	0	0	0	111.5	T201 M204 N205 F210 D222 T227 V228 E229	T201-F225 HydrophobicContact CG2-CB 3.73Å; T201-F225 HydrophobicContact CG2-CD1 3.87Å; T201-F225 HydrophobicContact CG2-CG 4.16Å; M204-F225 HydrophobicContact CB-CE1 4.19Å; M204-F225 HydrophobicContact CB-CZ 4.3Å; M204-F225 HydrophobicContact CE-CE1 3.61Å; M204-F225 HydrophobicContact CE-CZ 3.6Å; M204-F225 HydrophobicContact SD-CE1 3.92Å; M204-F225 HydrophobicContact SD-CZ 4.43Å; N205-F225 WeakPolarHBondContact OD1-CB 3.41Å; N205-F225 WeakPolarHBondContact OD1-CD2 3.47Å; N205-F225 WeakPolarHBondContact OD1-CG 3.33Å; F210-F225 HydrophobicContact CB-CE2 3.91Å; F210-F225 HydrophobicContact CB-CZ 4.41Å; F210-F225 HydrophobicContact CD1-CE2 4.35Å; F210-F225 HydrophobicContact CD1-CZ 4.15Å; F210-F225 HydrophobicContact CG-CE2 4.32Å; F210-F225 HydrophobicContact CG-CZ 4.34Å; D222-F225 HydrophobicContact CB-CD2 3.61Å; D222-F225 HydrophobicContact CB-CE2 3.92Å; D222-F225 PolarHBondContact O-N 2.87Å; F225-T227 VanDerWaalsContact C-N 3.3Å; F225-T227 PolarHBondContact O-N 3.37Å; F225-V228 PolarHBondContact O-N 3.44Å; F225-E229 WeakPolarHBondContact O-CB 3.5Å; F225-E229 PolarHBondContact O-N 2.86Å
226	E	84.1	Confident	84.5	Confident	78 Å²	78	71.8 Å²	71.8	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-58.7	-43.2	171.3	-66.5	-171.7	154.9	0	0	111.3	E221 D222 V228 E229 H230	E221-E226 HydrophobicContact CB-CG 4.33Å; D222-E226 PolarHBondContact O-N 2.79Å; E226-V228 PolarHBondContact O-N 3.42Å; E226-E229 PolarHBondContact O-N 2.69Å; E226-H230 PolarHBondContact O-CD2 3.44Å; E226-H230 VanDerWaalsContact O-CG 3.32Å; E226-H230 PolarHBondContact O-N 3.28Å
227	T	88.9	Confident	85.7	Confident	94 Å²	94	63.1 Å²	63.1	58%	0.577	34%	0.337	S	S	*	.	H	α-helix	trans	-60	-45	177.5	-57.5	0	0	0	0	111.9	P223 R224 F225 E229 H230 F231	P223-T227 PolarHBondContact O-N 2.87Å; P223-T227 PolarHBondContact O-OG1 2.9Å; R224-T227 WeakPolarHBondContact O-CB 3.41Å; R224-T227 PolarHBondContact O-N 3.47Å; F225-T227 VanDerWaalsContact C-N 3.3Å; F225-T227 PolarHBondContact O-N 3.37Å; T227-E229 VanDerWaalsContact C-N 3.33Å; T227-H230 PolarHBondContact O-N 3.05Å; T227-F231 WeakPolarHBondContact O-CB 3.34Å; T227-F231 PolarHBondContact O-N 2.79Å
228	V	90	Very high	87	Confident	67 Å²	67	65.9 Å²	65.9	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-38.8	177	175	0	0	0	0	111.1	T201 R224 F225 E226 F231 G232	T201-V228 WeakPolarHBondContact OG1-CG1 3.48Å; R224-V228 WeakPolarHBondContact O-CG2 3.38Å; R224-V228 PolarHBondContact O-N 3.23Å; F225-V228 PolarHBondContact O-N 3.44Å; E226-V228 PolarHBondContact O-N 3.42Å; V228-F231 PolarHBondContact O-N 2.67Å; V228-G232 PolarHBondContact O-N 3.25Å
229	E	89.4	Confident	88.1	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-46.3	177	179	156.1	-140	0	0	112	F225 E226 T227 F231 G232 I233 R299 R302	F225-E229 WeakPolarHBondContact O-CB 3.5Å; F225-E229 PolarHBondContact O-N 2.86Å; E226-E229 PolarHBondContact O-N 2.69Å; T227-E229 VanDerWaalsContact C-N 3.33Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 2.7Å; E229-G232 PolarHBondContact O-N 3.34Å; E229-G232 VanDerWaalsContact O-N 3.15Å; E229-I233 HydrophobicContact CG-CD1 3.58Å; E229-I233 HydrophobicContact CG-CG1 4.45Å; E229-I233 WeakPolarHBondContact O-CD1 3.47Å; E229-I233 WeakPolarHBondContact O-CG1 3.42Å; E229-I233 PolarHBondContact O-N 3.3Å; E229-R299 VanDerWaalsContact OE1-CD 3.28Å; E229-R299 WeakPolarHBondContact OE1-CD 3.33Å; E229-R299 IonicContact OE1-CZ 2.84Å; E229-R299 IonicContact OE1-NE 3.9Å; E229-R299 IonicContact OE1-NH1 2.73Å; E229-R299 PolarHBondContact OE1-NH1 2.84Å; E229-R299 IonicContact OE2-CZ 3.64Å; E229-R299 IonicContact OE2-NH1 3.68Å; E229-R299 PolarHBondContact OE2-NH1 3.45Å; E229-R302 IonicContact OE1-CZ 2.9Å; E229-R302 IonicContact OE1-NH1 4Å; E229-R302 PolarHBondContact OE1-NH1 3.47Å
230	H	91.1	Very high	89.3	Confident	98 Å²	98	56.1 Å²	56.1	45%	0.454	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-41.2	174.2	-70.3	-52.4	0	0	0	112.1	E226 T227 I233 G234 F269	E226-H230 PolarHBondContact O-CD2 3.44Å; E226-H230 VanDerWaalsContact O-CG 3.32Å; E226-H230 PolarHBondContact O-N 3.28Å; T227-H230 PolarHBondContact O-N 3.05Å; H230-I233 PolarHBondContact O-N 3.37Å; H230-G234 PolarHBondContact O-N 2.92Å; H230-F269 AromaticContact CE1-CE2 3.45Å; H230-F269 VanDerWaalsContact CE1-CE2 3.45Å; H230-F269 WeakPolarHBondContact CE1-CE2 3.41Å; H230-F269 AromaticContact CE1-CZ 3.69Å; H230-F269 AromaticContact ND1-CE2 3.4Å; H230-F269 WeakPolarHBondContact ND1-CE2 3.42Å; H230-F269 AromaticContact ND1-CZ 3.45Å; H230-F269 WeakPolarHBondContact ND1-CZ 3.48Å
231	F	94.3	Very high	90.4	Very high	133 Å²	133	57.5 Å²	57.5	58%	0.583	30%	0.297	S	S	*	.	H	α-helix	trans	-60.3	-47.5	173.3	174.7	-96.8	0	0	0	111.7	V194 T227 V228 E229 I233 G234 W235	V194-F231 HydrophobicContact CG2-CE1 4.38Å; T227-F231 WeakPolarHBondContact O-CB 3.34Å; T227-F231 PolarHBondContact O-N 2.79Å; V228-F231 PolarHBondContact O-N 2.67Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 2.7Å; F231-I233 PolarHBondContact O-N 3.2Å; F231-G234 PolarHBondContact O-N 3.4Å; F231-W235 PolarHBondContact O-N 2.88Å
232	G	93.9	Very high	91.3	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-43	178.6	0	0	0	0	0	113.2	V228 E229 W235 F236	V228-G232 PolarHBondContact O-N 3.25Å; E229-G232 PolarHBondContact O-N 3.34Å; E229-G232 VanDerWaalsContact O-N 3.15Å; G232-W235 WeakPolarHBondContact O-CB 3.04Å; G232-W235 PolarHBondContact O-N 2.95Å; G232-F236 WeakPolarHBondContact O-CD2 3.48Å; G232-F236 VanDerWaalsContact O-CG 3.25Å; G232-F236 WeakPolarHBondContact O-CG 3.28Å; G232-F236 PolarHBondContact O-N 3.09Å
233	I	94.3	Very high	91.7	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-39.3	176.9	-65.9	154	0	0	0	111.1	E229 H230 F231 W235 F236 T237 F269 Y270	E229-I233 HydrophobicContact CG-CD1 3.58Å; E229-I233 HydrophobicContact CG-CG1 4.45Å; E229-I233 WeakPolarHBondContact O-CD1 3.47Å; E229-I233 WeakPolarHBondContact O-CG1 3.42Å; E229-I233 PolarHBondContact O-N 3.3Å; H230-I233 PolarHBondContact O-N 3.37Å; F231-I233 PolarHBondContact O-N 3.2Å; I233-W235 VanDerWaalsContact C-N 3.3Å; I233-W235 PolarHBondContact O-N 3.13Å; I233-F236 PolarHBondContact O-N 3.19Å; I233-T237 WeakPolarHBondContact O-CB 3.13Å; I233-T237 PolarHBondContact O-N 3.31Å; I233-T237 PolarHBondContact O-OG1 3.15Å; I233-F269 HydrophobicContact CD1-CB 3.69Å; I233-F269 HydrophobicContact CD1-CD1 4.2Å; I233-F269 HydrophobicContact CD1-CD2 3.38Å; I233-F269 HydrophobicContact CD1-CE2 3.99Å; I233-F269 HydrophobicContact CD1-CG 3.49Å; I233-F269 VanDerWaalsContact CD1-CG 3.49Å; I233-F269 HydrophobicContact CG1-CB 4.32Å; I233-F269 HydrophobicContact CG1-CG 4.37Å; I233-F269 HydrophobicContact CG2-CB 4.23Å; I233-F269 HydrophobicContact CG2-CD1 3.69Å; I233-F269 HydrophobicContact CG2-CE1 4.23Å; I233-F269 HydrophobicContact CG2-CG 4.01Å; I233-Y270 HydrophobicContact CG2-CE2 4.17Å
234	G	95.6	Very high	92.1	Very high	40 Å²	40	56 Å²	56	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-57.4	-45.4	172.8	0	0	0	0	0	111.5	H230 F231 T237 L238	H230-G234 PolarHBondContact O-N 2.92Å; F231-G234 PolarHBondContact O-N 3.4Å; G234-T237 PolarHBondContact O-N 3.23Å; G234-L238 WeakPolarHBondContact O-CB 3.19Å; G234-L238 PolarHBondContact O-N 2.75Å
235	W	95.9	Very high	92.3	Very high	56 Å²	56	49.6 Å²	49.6	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-47.5	175	-174.8	-90.8	0	0	0	112.6	L190 V194 F231 G232 I233 T237 L238 E239	L190-W235 HydrophobicContact CB-CZ2 4.48Å; L190-W235 HydrophobicContact CD2-CH2 3.24Å; L190-W235 HydrophobicContact CD2-CZ2 3.57Å; L190-W235 HydrophobicContact CD2-CZ3 3.97Å; L190-W235 HydrophobicContact CG-CH2 3.98Å; L190-W235 HydrophobicContact CG-CZ2 3.81Å; V194-W235 HydrophobicContact CB-CG 4.45Å; V194-W235 HydrophobicContact CG1-CB 4.09Å; V194-W235 HydrophobicContact CG1-CG 4.06Å; V194-W235 HydrophobicContact CG2-CD2 4.37Å; V194-W235 HydrophobicContact CG2-CG 4.13Å; F231-W235 PolarHBondContact O-N 2.88Å; G232-W235 WeakPolarHBondContact O-CB 3.04Å; G232-W235 PolarHBondContact O-N 2.95Å; I233-W235 VanDerWaalsContact C-N 3.3Å; I233-W235 PolarHBondContact O-N 3.13Å; W235-T237 VanDerWaalsContact C-N 3.32Å; W235-T237 PolarHBondContact O-N 3.09Å; W235-L238 PolarHBondContact O-N 2.99Å; W235-E239 PolarHBondContact NE1-OE1 2.93Å; W235-E239 WeakPolarHBondContact O-CB 3.36Å; W235-E239 PolarHBondContact O-N 3.4Å
236	F	95.2	Very high	92.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-36.9	177.8	-62.9	-20.1	0	0	0	112.9	V194 V195 G232 I233 E239 L240 I266 R302 K305	V194-F236 HydrophobicContact CB-CE1 4.44Å; V194-F236 HydrophobicContact CG1-CD1 4.46Å; V194-F236 HydrophobicContact CG1-CE1 3.75Å; V194-F236 HydrophobicContact CG1-CZ 4.15Å; V195-F236 HydrophobicContact CB-CZ 4.43Å; V195-F236 HydrophobicContact CG2-CE1 3.6Å; V195-F236 HydrophobicContact CG2-CZ 3.71Å; G232-F236 WeakPolarHBondContact O-CD2 3.48Å; G232-F236 VanDerWaalsContact O-CG 3.25Å; G232-F236 WeakPolarHBondContact O-CG 3.28Å; G232-F236 PolarHBondContact O-N 3.09Å; I233-F236 PolarHBondContact O-N 3.19Å; F236-E239 WeakPolarHBondContact O-CB 3.27Å; F236-E239 PolarHBondContact O-N 2.88Å; F236-L240 PolarHBondContact O-N 2.93Å; F236-I266 HydrophobicContact CB-CG2 3.41Å; F236-I266 VanDerWaalsContact CB-CG2 3.41Å; F236-I266 HydrophobicContact CD2-CG2 4.38Å; F236-I266 HydrophobicContact CG-CG2 4.41Å; F236-R302 HydrophobicContact CE2-CB 4.28Å; F236-K305 HydrophobicContact CD1-CD 3.82Å; F236-K305 VanDerWaalsContact CD1-CE 3.45Å; F236-K305 HydrophobicContact CE1-CD 3.84Å; F236-K305 HydrophobicContact CG-CD 4.28Å; F236-K305 HydrophobicContact CZ-CD 4.29Å
237	T	96	Very high	92.5	Very high	27 Å²	27	45.7 Å²	45.7	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-45.8	175.4	-54	0	0	0	0	110.2	I233 G234 W235 E239 L240 V241 Y270	I233-T237 WeakPolarHBondContact O-CB 3.13Å; I233-T237 PolarHBondContact O-N 3.31Å; I233-T237 PolarHBondContact O-OG1 3.15Å; G234-T237 PolarHBondContact O-N 3.23Å; W235-T237 VanDerWaalsContact C-N 3.32Å; W235-T237 PolarHBondContact O-N 3.09Å; T237-E239 VanDerWaalsContact C-N 3.31Å; T237-E239 PolarHBondContact O-N 2.74Å; T237-L240 PolarHBondContact O-N 3.15Å; T237-V241 HydrophobicContact CG2-CG2 4.21Å; T237-V241 WeakPolarHBondContact O-CB 3.46Å; T237-V241 VanDerWaalsContact O-CG2 3.27Å; T237-V241 WeakPolarHBondContact O-CG2 3.37Å; T237-V241 PolarHBondContact O-N 3.3Å; T237-Y270 VanDerWaalsContact CG2-OH 3.29Å; T237-Y270 WeakPolarHBondContact CG2-OH 3.15Å; T237-Y270 PolarHBondContact OG1-OH 3.31Å
238	L	95.3	Very high	92.2	Very high	97 Å²	97	41.8 Å²	41.8	51%	0.508	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-44.2	176.3	179.8	141.9	0	0	0	111.2	G234 W235 T242	G234-L238 WeakPolarHBondContact O-CB 3.19Å; G234-L238 PolarHBondContact O-N 2.75Å; W235-L238 PolarHBondContact O-N 2.99Å; L238-T242 HydrophobicContact CD2-CG2 4.34Å; L238-T242 HydrophobicContact CG-CG2 4.4Å; L238-T242 VanDerWaalsContact O-CB 3.32Å; L238-T242 WeakPolarHBondContact O-CB 3.44Å; L238-T242 WeakPolarHBondContact O-CG2 3.45Å; L238-T242 PolarHBondContact O-N 3.4Å; L238-T242 PolarHBondContact O-OG1 2.99Å
239	E	94.1	Very high	91.8	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-46.2	174.5	-88.8	-168.5	-160.9	0	0	113.4	S191 W235 F236 T237 T242 R243 K305	S191-E239 WeakPolarHBondContact CB-OE1 3.25Å; S191-E239 PolarHBondContact OG-OE1 3.49Å; W235-E239 PolarHBondContact NE1-OE1 2.93Å; W235-E239 WeakPolarHBondContact O-CB 3.36Å; W235-E239 PolarHBondContact O-N 3.4Å; F236-E239 WeakPolarHBondContact O-CB 3.27Å; F236-E239 PolarHBondContact O-N 2.88Å; T237-E239 VanDerWaalsContact C-N 3.31Å; T237-E239 PolarHBondContact O-N 2.74Å; E239-T242 WeakPolarHBondContact CA-OG1 2.9Å; E239-T242 PolarHBondContact O-OG1 2.91Å; E239-R243 WeakPolarHBondContact O-CB 3.36Å; E239-R243 VanDerWaalsContact O-CG 3.28Å; E239-R243 WeakPolarHBondContact O-CG 3.5Å; E239-R243 PolarHBondContact O-N 3.33Å; E239-R243 IonicContact OE2-CZ 3.92Å; E239-R243 IonicContact OE2-NH1 3.93Å; E239-R243 PolarHBondContact OE2-NH1 3.32Å; E239-R243 IonicContact OE2-NH2 2.77Å; E239-K305 WeakPolarHBondContact OE2-CE 3.26Å; E239-K305 IonicContact OE2-NZ 3.53Å; E239-K305 PolarHBondContact OE2-NZ 3.46Å
240	L	93.4	Very high	91.5	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-44.6	179.3	179.8	64.4	0	0	0	111.3	F236 T237 R243 F244 F253 D262 L263 I266	F236-L240 PolarHBondContact O-N 2.93Å; T237-L240 PolarHBondContact O-N 3.15Å; L240-R243 PolarHBondContact O-N 3.46Å; L240-F244 WeakPolarHBondContact O-CB 3.34Å; L240-F244 PolarHBondContact O-N 3.49Å; L240-F253 HydrophobicContact CD1-CE1 3.85Å; L240-F253 HydrophobicContact CD1-CZ 4.11Å; L240-D262 HydrophobicContact CD1-CB 3.91Å; L240-L263 HydrophobicContact CD2-CB 4.37Å; L240-L263 HydrophobicContact CD2-CD1 4.1Å; L240-I266 HydrophobicContact CD2-CD1 3.51Å; L240-I266 HydrophobicContact CD2-CG1 4.37Å
241	V	94.2	Very high	91.1	Very high	87 Å²	87	48.2 Å²	48.2	53%	0.527	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-43.7	179.9	170.5	0	0	0	0	111	T237 F244 A245	T237-V241 HydrophobicContact CG2-CG2 4.21Å; T237-V241 WeakPolarHBondContact O-CB 3.46Å; T237-V241 VanDerWaalsContact O-CG2 3.27Å; T237-V241 WeakPolarHBondContact O-CG2 3.37Å; T237-V241 PolarHBondContact O-N 3.3Å; V241-F244 PolarHBondContact O-N 3.48Å; V241-A245 VanDerWaalsContact O-CB 3.31Å; V241-A245 WeakPolarHBondContact O-CB 3.31Å; V241-A245 PolarHBondContact O-N 3.17Å
242	T	92.4	Very high	90.6	Very high	48 Å²	48	47.6 Å²	47.6	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-42.7	177.2	50.4	0	0	0	0	111.4	L238 E239 A245 V246	L238-T242 HydrophobicContact CD2-CG2 4.34Å; L238-T242 HydrophobicContact CG-CG2 4.4Å; L238-T242 VanDerWaalsContact O-CB 3.32Å; L238-T242 WeakPolarHBondContact O-CB 3.44Å; L238-T242 WeakPolarHBondContact O-CG2 3.45Å; L238-T242 PolarHBondContact O-N 3.4Å; L238-T242 PolarHBondContact O-OG1 2.99Å; E239-T242 WeakPolarHBondContact CA-OG1 2.9Å; E239-T242 PolarHBondContact O-OG1 2.91Å; T242-A245 PolarHBondContact O-N 3.03Å; T242-V246 VanDerWaalsContact O-CB 3.23Å; T242-V246 WeakPolarHBondContact O-CB 3.35Å; T242-V246 WeakPolarHBondContact O-CG2 3.45Å; T242-V246 PolarHBondContact O-N 2.93Å
243	R	91.3	Very high	90.3	Very high	11 Å²	11	48 Å²	48	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-45.4	173.6	-75.3	-175.9	179.2	97.9	7.5	112.3	L175 E239 L240 V246 A247 F253 D262	L175-R243 HydrophobicContact CB-CG 4.37Å; L175-R243 HydrophobicContact CD1-CG 4.13Å; L175-R243 PolarHBondContact O-NH2 3.45Å; L175-R243 VanDerWaalsContact O-NH2 3.16Å; E239-R243 WeakPolarHBondContact O-CB 3.36Å; E239-R243 VanDerWaalsContact O-CG 3.28Å; E239-R243 WeakPolarHBondContact O-CG 3.5Å; E239-R243 PolarHBondContact O-N 3.33Å; E239-R243 IonicContact OE2-CZ 3.92Å; E239-R243 IonicContact OE2-NH1 3.93Å; E239-R243 PolarHBondContact OE2-NH1 3.32Å; E239-R243 IonicContact OE2-NH2 2.77Å; L240-R243 PolarHBondContact O-N 3.46Å; R243-V246 PolarHBondContact O-N 3Å; R243-A247 WeakPolarHBondContact O-CB 3.4Å; R243-A247 PolarHBondContact O-N 2.98Å; R243-F253 HydrophobicContact CB-CE2 4.14Å; R243-F253 HydrophobicContact CB-CZ 4.04Å; R243-D262 IonicContact NH1-OD2 3.64Å
244	F	92.4	Very high	90	Very high	81 Å²	81	51.7 Å²	51.7	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-48.9	177.1	-178.5	-104.5	0	0	0	111.5	L240 V241 V246 A247 L250 F253 F254	L240-F244 WeakPolarHBondContact O-CB 3.34Å; L240-F244 PolarHBondContact O-N 3.49Å; V241-F244 PolarHBondContact O-N 3.48Å; F244-V246 PolarHBondContact O-N 3.37Å; F244-A247 WeakPolarHBondContact O-CB 3.48Å; F244-A247 PolarHBondContact O-N 3.45Å; F244-L250 HydrophobicContact CD1-CD2 4.14Å; F244-L250 HydrophobicContact CD2-CD2 4.11Å; F244-L250 HydrophobicContact CE1-CD2 3.9Å; F244-L250 HydrophobicContact CE2-CB 4.24Å; F244-L250 HydrophobicContact CE2-CD2 3.87Å; F244-L250 HydrophobicContact CG-CD2 4.25Å; F244-L250 HydrophobicContact CZ-CB 4.19Å; F244-L250 HydrophobicContact CZ-CD2 3.77Å; F244-L250 HydrophobicContact CZ-CG 4.47Å; F244-L250 WeakPolarHBondContact O-CD2 3.49Å; F244-F253 HydrophobicContact CB-CE1 4.28Å; F244-F253 HydrophobicContact CB-CZ 4.26Å; F244-F253 HydrophobicContact CD2-CB 4.18Å; F244-F253 AromaticContact CD2-CD1 3.7Å; F244-F253 HydrophobicContact CD2-CD1 3.7Å; F244-F253 HydrophobicContact CD2-CD2 4.46Å; F244-F253 HydrophobicContact CD2-CE1 4.17Å; F244-F253 AromaticContact CD2-CG 3.85Å; F244-F253 HydrophobicContact CD2-CG 3.85Å; F244-F253 HydrophobicContact CE2-CB 4.39Å; F244-F253 HydrophobicContact CE2-CD1 4.47Å; F244-F254 HydrophobicContact CE2-CE2 4.42Å
245	A	90	Very high	89.5	Confident	58 Å²	58	55.4 Å²	55.4	48%	0.479	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-32.4	179.3	0	0	0	0	0	112.6	R168 V241 T242	R168-A245 PolarHBondContact NE-O 3.4Å; R168-A245 VanDerWaalsContact NE-O 3.16Å; R168-A245 PolarHBondContact NH2-O 2.88Å; V241-A245 VanDerWaalsContact O-CB 3.31Å; V241-A245 WeakPolarHBondContact O-CB 3.31Å; V241-A245 PolarHBondContact O-N 3.17Å; T242-A245 PolarHBondContact O-N 3.03Å
246	V	89.3	Confident	88.9	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-95.3	-10.5	-174.8	174.3	0	0	0	0	112.7	F159 R168 V171 W172 T242 R243 F244	F159-V246 WeakPolarHBondContact CE1-O 3.27Å; F159-V246 VanDerWaalsContact CZ-O 3.25Å; F159-V246 WeakPolarHBondContact CZ-O 3.2Å; R168-V246 HydrophobicContact CG-CB 4.37Å; R168-V246 HydrophobicContact CG-CG1 3.94Å; R168-V246 PolarHBondContact NE-O 2.76Å; R168-V246 WeakPolarHBondContact O-CG1 3.45Å; V171-V246 HydrophobicContact CB-CG1 4.15Å; V171-V246 HydrophobicContact CB-CG2 4.29Å; V171-V246 HydrophobicContact CG1-CG1 4.23Å; V171-V246 HydrophobicContact CG1-CG2 3.85Å; W172-V246 VanDerWaalsContact CA-CG1 3.44Å; W172-V246 HydrophobicContact CB-CG1 3.42Å; W172-V246 VanDerWaalsContact CB-CG1 3.42Å; W172-V246 HydrophobicContact CG-CG1 4.27Å; W172-V246 VanDerWaalsContact N-CG1 3.29Å; T242-V246 VanDerWaalsContact O-CB 3.23Å; T242-V246 WeakPolarHBondContact O-CB 3.35Å; T242-V246 WeakPolarHBondContact O-CG2 3.45Å; T242-V246 PolarHBondContact O-N 2.93Å; R243-V246 PolarHBondContact O-N 3Å; F244-V246 PolarHBondContact O-N 3.37Å
247	A	86.5	Confident	88.5	Confident	4 Å²	4	61 Å²	61	3%	0.033	33%	0.328	C	S	.	.			trans	-62.6	141.6	-177.9	0	0	0	0	0	113.7	R168 R243 F244 D249 F253	R168-A247 PolarHBondContact NH2-O 2.83Å; R243-A247 WeakPolarHBondContact O-CB 3.4Å; R243-A247 PolarHBondContact O-N 2.98Å; F244-A247 WeakPolarHBondContact O-CB 3.48Å; F244-A247 PolarHBondContact O-N 3.45Å; A247-D249 PolarHBondContact O-N 3.05Å; A247-F253 HydrophobicContact CB-CD2 3.52Å; A247-F253 HydrophobicContact CB-CE2 4.03Å
248	P	81.6	Confident	88.1	Confident	13 Å²	13	61.3 Å²	61.3	8%	0.084	33%	0.328	C	S	.	.	S	Bend	trans	-61.7	-43.2	-178.1	24.9	-32.5	0	0	0	112	D155 K158 F159 Q162	D155-P248 HydrophobicContact CB-CB 4.49Å; D155-P248 HydrophobicContact CB-CG 3.86Å; K158-P248 HydrophobicContact CB-CB 4.15Å; K158-P248 HydrophobicContact CD-CB 4.14Å; F159-P248 HydrophobicContact CE1-CB 4.31Å; F159-P248 HydrophobicContact CE2-CB 3.96Å; F159-P248 HydrophobicContact CE2-CG 4.35Å; F159-P248 HydrophobicContact CZ-CB 3.8Å; F159-P248 HydrophobicContact CZ-CG 4.22Å; Q162-P248 PolarHBondContact NE2-O 3.09Å
249	D	82.1	Confident	87.9	Confident	63 Å²	63	57.3 Å²	57.3	34%	0.337	31%	0.308	S	S	.	.			trans	-124.4	116	178.2	-69	-44.9	0	0	0	111.3	K158 A247 H252 F253	K158-D249 WeakPolarHBondContact CD-OD2 2.99Å; K158-D249 WeakPolarHBondContact CE-OD2 3.26Å; K158-D249 IonicContact NZ-OD2 2.72Å; K158-D249 PolarHBondContact NZ-OD2 2.92Å; A247-D249 PolarHBondContact O-N 3.05Å; D249-H252 HydrophobicContact CB-CB 4.44Å; D249-F253 PolarHBondContact O-N 3.4Å
250	L	83.6	Confident	87.8	Confident	83 Å²	83	59.9 Å²	59.9	44%	0.435	32%	0.324	S	S	.	.	S	Bend	trans	-73.8	-31.5	-177.4	-64.7	169.9	0	0	0	113.1	F244	F244-L250 HydrophobicContact CD1-CD2 4.14Å; F244-L250 HydrophobicContact CD2-CD2 4.11Å; F244-L250 HydrophobicContact CE1-CD2 3.9Å; F244-L250 HydrophobicContact CE2-CB 4.24Å; F244-L250 HydrophobicContact CE2-CD2 3.87Å; F244-L250 HydrophobicContact CG-CD2 4.25Å; F244-L250 HydrophobicContact CZ-CB 4.19Å; F244-L250 HydrophobicContact CZ-CD2 3.77Å; F244-L250 HydrophobicContact CZ-CG 4.47Å; F244-L250 WeakPolarHBondContact O-CD2 3.49Å
251	L	82.4	Confident	87.7	Confident	163 Å²	163	61.2 Å²	61.2	85%	0.853	33%	0.33	S	S	*	.	S	Bend	trans	-73.4	-37.4	-177.2	-68	174.1	0	0	0	112.3
252	H	84.3	Confident	87.6	Confident	121 Å²	121	57.1 Å²	57.1	56%	0.56	31%	0.305	S	S	*	.	S	Bend	trans	-92.3	3.4	-179.6	-71.1	-68.6	0	0	0	113.3	D249 F254 D255	D249-H252 HydrophobicContact CB-CB 4.44Å; H252-F254 VanDerWaalsContact C-N 3.25Å; H252-F254 PolarHBondContact O-N 3.06Å; H252-D255 IonicContact CE1-OD2 3.9Å; H252-D255 IonicContact CG-OD2 2.67Å; H252-D255 IonicContact ND1-OD2 3.21Å; H252-D255 PolarHBondContact ND1-OD2 3.33Å; H252-D255 WeakPolarHBondContact O-CB 3.35Å; H252-D255 PolarHBondContact O-N 2.88Å; H252-D255 VanDerWaalsContact O-N 3.08Å
253	F	86.4	Confident	87.7	Confident	11 Å²	11	57.7 Å²	57.7	5%	0.048	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.8	-38.6	-176.9	179.3	-99.3	0	0	0	113.1	L240 R243 F244 A247 D249 N259	L240-F253 HydrophobicContact CD1-CE1 3.85Å; L240-F253 HydrophobicContact CD1-CZ 4.11Å; R243-F253 HydrophobicContact CB-CE2 4.14Å; R243-F253 HydrophobicContact CB-CZ 4.04Å; F244-F253 HydrophobicContact CB-CE1 4.28Å; F244-F253 HydrophobicContact CB-CZ 4.26Å; F244-F253 HydrophobicContact CD2-CB 4.18Å; F244-F253 AromaticContact CD2-CD1 3.7Å; F244-F253 HydrophobicContact CD2-CD1 3.7Å; F244-F253 HydrophobicContact CD2-CD2 4.46Å; F244-F253 HydrophobicContact CD2-CE1 4.17Å; F244-F253 AromaticContact CD2-CG 3.85Å; F244-F253 HydrophobicContact CD2-CG 3.85Å; F244-F253 HydrophobicContact CE2-CB 4.39Å; F244-F253 HydrophobicContact CE2-CD1 4.47Å; A247-F253 HydrophobicContact CB-CD2 3.52Å; A247-F253 HydrophobicContact CB-CE2 4.03Å; D249-F253 PolarHBondContact O-N 3.4Å; F253-N259 HydrophobicContact CD1-CB 4.17Å; F253-N259 WeakPolarHBondContact CD2-ND2 3.5Å; F253-N259 HydrophobicContact CE1-CB 3.72Å; F253-N259 HydrophobicContact CE2-CB 4.34Å; F253-N259 VanDerWaalsContact CE2-ND2 3.27Å; F253-N259 WeakPolarHBondContact CE2-ND2 3.38Å; F253-N259 HydrophobicContact CZ-CB 3.82Å; F253-N259 WeakPolarHBondContact O-CB 3.38Å; F253-N259 PolarHBondContact O-ND2 3.22Å
254	F	87.7	Confident	87.7	Confident	85 Å²	85	59.4 Å²	59.4	37%	0.373	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-86.1	-3.6	-178.6	-67.6	-68	0	0	0	114.2	F244 H252 H256 V260 L263	F244-F254 HydrophobicContact CE2-CE2 4.42Å; H252-F254 VanDerWaalsContact C-N 3.25Å; H252-F254 PolarHBondContact O-N 3.06Å; F254-H256 PolarHBondContact O-N 2.96Å; F254-V260 WeakPolarHBondContact O-CG2 3.33Å; F254-L263 HydrophobicContact CD1-CD2 4.1Å; F254-L263 HydrophobicContact CE1-CB 4.15Å; F254-L263 HydrophobicContact CE1-CD2 3.8Å; F254-L263 HydrophobicContact CE1-CG 4.38Å; F254-L263 HydrophobicContact CZ-CD2 4.48Å
255	D	85.2	Confident	87.7	Confident	118 Å²	118	55.9 Å²	55.9	63%	0.631	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-72.7	-22.9	171.6	-64.8	-23.5	0	0	0	110.9	H252	H252-D255 IonicContact CE1-OD2 3.9Å; H252-D255 IonicContact CG-OD2 2.67Å; H252-D255 IonicContact ND1-OD2 3.21Å; H252-D255 PolarHBondContact ND1-OD2 3.33Å; H252-D255 WeakPolarHBondContact O-CB 3.35Å; H252-D255 PolarHBondContact O-N 2.88Å; H252-D255 VanDerWaalsContact O-N 3.08Å
256	H	83.9	Confident	87.9	Confident	93 Å²	93	53.6 Å²	53.6	43%	0.431	28%	0.283	S	S	.	.	S	Bend	trans	-79.3	121.8	179	-159.9	-77.2	0	0	0	111.4	F254 L258 N259 V260	F254-H256 PolarHBondContact O-N 2.96Å; H256-L258 VanDerWaalsContact C-N 3.29Å; H256-L258 PolarHBondContact O-N 2.66Å; H256-L258 VanDerWaalsContact O-N 3.16Å; H256-N259 WeakPolarHBondContact O-CB 3.25Å; H256-N259 PolarHBondContact O-N 3.18Å; H256-V260 PolarHBondContact O-N 3.2Å
257	P	86.3	Confident	88	Confident	81 Å²	81	56.3 Å²	56.3	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-32	-170	22.9	-33.9	0	0	0	113.7	N259 V260 I261	P257-N259 VanDerWaalsContact C-N 3.3Å; P257-N259 PolarHBondContact O-N 3.03Å; P257-V260 PolarHBondContact O-N 2.66Å; P257-I261 WeakPolarHBondContact O-CG1 3.44Å; P257-I261 PolarHBondContact O-N 3.27Å; P257-I261 VanDerWaalsContact O-N 3.07Å
258	L	88	Confident	88.3	Confident	34 Å²	34	56.4 Å²	56.4	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-31.8	176.4	-59.1	-178.6	0	0	0	112.8	H256 I261 D262 R308	H256-L258 VanDerWaalsContact C-N 3.29Å; H256-L258 PolarHBondContact O-N 2.66Å; H256-L258 VanDerWaalsContact O-N 3.16Å; L258-I261 HydrophobicContact CD2-CD1 4.4Å; L258-I261 PolarHBondContact O-N 2.83Å; L258-D262 PolarHBondContact O-N 2.97Å; L258-R308 PolarHBondContact O-NH2 3.43Å
259	N	91.2	Very high	88.7	Confident	13 Å²	13	57.4 Å²	57.4	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-77.4	-33.2	178.8	-64	-18.9	0	0	0	111	F253 H256 P257 I261 D262 L263 R308	F253-N259 HydrophobicContact CD1-CB 4.17Å; F253-N259 WeakPolarHBondContact CD2-ND2 3.5Å; F253-N259 HydrophobicContact CE1-CB 3.72Å; F253-N259 HydrophobicContact CE2-CB 4.34Å; F253-N259 VanDerWaalsContact CE2-ND2 3.27Å; F253-N259 WeakPolarHBondContact CE2-ND2 3.38Å; F253-N259 HydrophobicContact CZ-CB 3.82Å; F253-N259 WeakPolarHBondContact O-CB 3.38Å; F253-N259 PolarHBondContact O-ND2 3.22Å; H256-N259 WeakPolarHBondContact O-CB 3.25Å; H256-N259 PolarHBondContact O-N 3.18Å; P257-N259 VanDerWaalsContact C-N 3.3Å; P257-N259 PolarHBondContact O-N 3.03Å; N259-I261 VanDerWaalsContact C-N 3.34Å; N259-D262 PolarHBondContact O-N 3.24Å; N259-L263 PolarHBondContact O-N 3.15Å; N259-R308 PolarHBondContact OD1-NH2 3.41Å
260	V	91.3	Very high	89.2	Confident	58 Å²	58	59 Å²	59	35%	0.352	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-42.4	169.9	179.9	0	0	0	0	110.9	F254 H256 P257 D262 L263 V264	F254-V260 WeakPolarHBondContact O-CG2 3.33Å; H256-V260 PolarHBondContact O-N 3.2Å; P257-V260 PolarHBondContact O-N 2.66Å; V260-D262 VanDerWaalsContact C-N 3.32Å; V260-D262 PolarHBondContact O-N 2.94Å; V260-L263 WeakPolarHBondContact O-CB 3.23Å; V260-L263 PolarHBondContact O-N 3.13Å; V260-V264 HydrophobicContact CG1-CG2 4.16Å; V260-V264 WeakPolarHBondContact O-CG2 3.49Å; V260-V264 PolarHBondContact O-N 3.11Å
261	I	92.1	Very high	89.6	Confident	41 Å²	41	58 Å²	58	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-44.3	175	-70.3	168.7	0	0	0	111.1	P257 L258 N259 L263 V264 S265 L304 A307	P257-I261 WeakPolarHBondContact O-CG1 3.44Å; P257-I261 PolarHBondContact O-N 3.27Å; P257-I261 VanDerWaalsContact O-N 3.07Å; L258-I261 HydrophobicContact CD2-CD1 4.4Å; L258-I261 PolarHBondContact O-N 2.83Å; N259-I261 VanDerWaalsContact C-N 3.34Å; I261-L263 VanDerWaalsContact C-N 3.33Å; I261-L263 PolarHBondContact O-N 3.18Å; I261-V264 PolarHBondContact O-N 3.16Å; I261-S265 WeakPolarHBondContact O-CB 3.27Å; I261-S265 PolarHBondContact O-N 3.3Å; I261-L304 VanDerWaalsContact CG2-C 3.5Å; I261-L304 HydrophobicContact CG2-CB 3.8Å; I261-A307 HydrophobicContact CD1-CB 4.45Å
262	D	92.6	Very high	89.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-40.7	176.7	-75.2	-39.8	0	0	0	111.7	L240 R243 L258 N259 V260 S265 K305 R308	L240-D262 HydrophobicContact CD1-CB 3.91Å; R243-D262 IonicContact NH1-OD2 3.64Å; L258-D262 PolarHBondContact O-N 2.97Å; N259-D262 PolarHBondContact O-N 3.24Å; V260-D262 VanDerWaalsContact C-N 3.32Å; V260-D262 PolarHBondContact O-N 2.94Å; D262-S265 PolarHBondContact O-N 3.4Å; D262-S265 PolarHBondContact O-OG 3.09Å; D262-K305 IonicContact OD1-NZ 2.8Å; D262-K305 PolarHBondContact OD1-NZ 3.47Å; D262-R308 IonicContact OD1-NE 2.99Å; D262-R308 IonicContact OD2-CZ 3.77Å; D262-R308 VanDerWaalsContact OD2-CZ 3.25Å; D262-R308 IonicContact OD2-NE 4Å; D262-R308 PolarHBondContact OD2-NE 3.14Å; D262-R308 IonicContact OD2-NH2 2.91Å; D262-R308 PolarHBondContact OD2-NH2 2.94Å
263	L	93.1	Very high	90.1	Very high	61 Å²	61	48.6 Å²	48.6	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-49.8	175	178.4	64.8	0	0	0	112.4	L240 F254 N259 V260 I261 S265 I266 L267	L240-L263 HydrophobicContact CD2-CB 4.37Å; L240-L263 HydrophobicContact CD2-CD1 4.1Å; F254-L263 HydrophobicContact CD1-CD2 4.1Å; F254-L263 HydrophobicContact CE1-CB 4.15Å; F254-L263 HydrophobicContact CE1-CD2 3.8Å; F254-L263 HydrophobicContact CE1-CG 4.38Å; F254-L263 HydrophobicContact CZ-CD2 4.48Å; N259-L263 PolarHBondContact O-N 3.15Å; V260-L263 WeakPolarHBondContact O-CB 3.23Å; V260-L263 PolarHBondContact O-N 3.13Å; I261-L263 VanDerWaalsContact C-N 3.33Å; I261-L263 PolarHBondContact O-N 3.18Å; L263-S265 PolarHBondContact O-N 3.2Å; L263-I266 VanDerWaalsContact O-CG1 3.25Å; L263-I266 WeakPolarHBondContact O-CG1 3.5Å; L263-I266 PolarHBondContact O-N 2.88Å; L263-L267 WeakPolarHBondContact O-CB 3.26Å; L263-L267 PolarHBondContact O-N 3.07Å
264	V	92.3	Very high	90.3	Very high	46 Å²	46	53 Å²	53	28%	0.279	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-28.4	-179.6	172.3	0	0	0	0	111.2	V260 I261 I266 P268 F301	V260-V264 HydrophobicContact CG1-CG2 4.16Å; V260-V264 WeakPolarHBondContact O-CG2 3.49Å; V260-V264 PolarHBondContact O-N 3.11Å; I261-V264 PolarHBondContact O-N 3.16Å; V264-I266 VanDerWaalsContact C-N 3.33Å; V264-I266 PolarHBondContact O-N 3.2Å; V264-P268 WeakPolarHBondContact O-CD 3.32Å; V264-F301 HydrophobicContact CG1-CB 3.79Å; V264-F301 HydrophobicContact CG1-CD2 3.94Å; V264-F301 HydrophobicContact CG1-CG 4.05Å
265	S	92.2	Very high	90.3	Very high	7 Å²	7	49.9 Å²	49.9	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-27.2	178.8	77	0	0	0	0	114.6	I261 D262 L263	I261-S265 WeakPolarHBondContact O-CB 3.27Å; I261-S265 PolarHBondContact O-N 3.3Å; D262-S265 PolarHBondContact O-N 3.4Å; D262-S265 PolarHBondContact O-OG 3.09Å; L263-S265 PolarHBondContact O-N 3.2Å
266	I	93.3	Very high	90.2	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-103.9	-23.3	179.9	62.6	170.7	0	0	0	113	F236 L240 L263 V264 P268 F269 Y270	F236-I266 HydrophobicContact CB-CG2 3.41Å; F236-I266 VanDerWaalsContact CB-CG2 3.41Å; F236-I266 HydrophobicContact CD2-CG2 4.38Å; F236-I266 HydrophobicContact CG-CG2 4.41Å; L240-I266 HydrophobicContact CD2-CD1 3.51Å; L240-I266 HydrophobicContact CD2-CG1 4.37Å; L263-I266 VanDerWaalsContact O-CG1 3.25Å; L263-I266 WeakPolarHBondContact O-CG1 3.5Å; L263-I266 PolarHBondContact O-N 2.88Å; V264-I266 VanDerWaalsContact C-N 3.33Å; V264-I266 PolarHBondContact O-N 3.2Å; I266-P268 VanDerWaalsContact C-CD 3.42Å; I266-F269 PolarHBondContact O-N 3.31Å; I266-F269 VanDerWaalsContact O-N 3.15Å; I266-Y270 HydrophobicContact CB-CD2 4.19Å; I266-Y270 HydrophobicContact CB-CE2 4.02Å; I266-Y270 HydrophobicContact CD1-CD2 4.36Å; I266-Y270 HydrophobicContact CD1-CE2 3.99Å; I266-Y270 HydrophobicContact CG1-CD2 4.36Å; I266-Y270 HydrophobicContact CG1-CE2 4.31Å; I266-Y270 WeakPolarHBondContact O-CD2 3.43Å; I266-Y270 PolarHBondContact O-N 2.94Å
267	L	92.4	Very high	90.2	Very high	75 Å²	75	48.2 Å²	48.2	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-52.4	-43.7	-174.6	-177.4	68.4	0	0	0	113.7	L263 F269 Y270 L271	L263-L267 WeakPolarHBondContact O-CB 3.26Å; L263-L267 PolarHBondContact O-N 3.07Å; L267-F269 VanDerWaalsContact C-N 3.27Å; L267-F269 PolarHBondContact O-N 3.38Å; L267-Y270 PolarHBondContact O-N 2.93Å; L267-L271 HydrophobicContact CD1-CD1 3.93Å; L267-L271 HydrophobicContact CD1-CD2 4.22Å; L267-L271 HydrophobicContact CD1-CG 3.8Å; L267-L271 HydrophobicContact CD2-CD1 4.11Å; L267-L271 HydrophobicContact CG-CD1 3.64Å; L267-L271 HydrophobicContact CG-CG 3.95Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 WeakPolarHBondContact O-CG 3.32Å; L267-L271 PolarHBondContact O-N 3.13Å
268	P	91.6	Very high	90.1	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-34.9	-178.4	-24.3	33.6	0	0	0	113.8	V264 I266 T272 L295 M298 R299	V264-P268 WeakPolarHBondContact O-CD 3.32Å; I266-P268 VanDerWaalsContact C-CD 3.42Å; P268-T272 VanDerWaalsContact O-CB 3.32Å; P268-T272 WeakPolarHBondContact O-CB 3.16Å; P268-T272 PolarHBondContact O-N 3.42Å; P268-T272 PolarHBondContact O-OG1 2.97Å; P268-L295 VanDerWaalsContact CB-O 3.32Å; P268-L295 WeakPolarHBondContact CB-O 3.46Å; P268-M298 HydrophobicContact CB-CB 4.1Å; P268-M298 HydrophobicContact CG-CB 3.74Å; P268-R299 HydrophobicContact CB-CG 3.79Å; P268-R299 HydrophobicContact CG-CG 4.42Å
269	F	91.3	Very high	89.8	Confident	35 Å²	35	47.8 Å²	47.8	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-53.3	177.7	174.4	-102.1	0	0	0	111.4	H230 I233 I266 L267 L271 T272 L273	H230-F269 AromaticContact CE1-CE2 3.45Å; H230-F269 VanDerWaalsContact CE1-CE2 3.45Å; H230-F269 WeakPolarHBondContact CE1-CE2 3.41Å; H230-F269 AromaticContact CE1-CZ 3.69Å; H230-F269 AromaticContact ND1-CE2 3.4Å; H230-F269 WeakPolarHBondContact ND1-CE2 3.42Å; H230-F269 AromaticContact ND1-CZ 3.45Å; H230-F269 WeakPolarHBondContact ND1-CZ 3.48Å; I233-F269 HydrophobicContact CD1-CB 3.69Å; I233-F269 HydrophobicContact CD1-CD1 4.2Å; I233-F269 HydrophobicContact CD1-CD2 3.38Å; I233-F269 HydrophobicContact CD1-CE2 3.99Å; I233-F269 HydrophobicContact CD1-CG 3.49Å; I233-F269 VanDerWaalsContact CD1-CG 3.49Å; I233-F269 HydrophobicContact CG1-CB 4.32Å; I233-F269 HydrophobicContact CG1-CG 4.37Å; I233-F269 HydrophobicContact CG2-CB 4.23Å; I233-F269 HydrophobicContact CG2-CD1 3.69Å; I233-F269 HydrophobicContact CG2-CE1 4.23Å; I233-F269 HydrophobicContact CG2-CG 4.01Å; I266-F269 PolarHBondContact O-N 3.31Å; I266-F269 VanDerWaalsContact O-N 3.15Å; L267-F269 VanDerWaalsContact C-N 3.27Å; L267-F269 PolarHBondContact O-N 3.38Å; F269-L271 VanDerWaalsContact C-N 3.33Å; F269-L271 PolarHBondContact O-N 2.69Å; F269-T272 PolarHBondContact O-N 3.46Å; F269-L273 HydrophobicContact CE1-CD2 4.45Å; F269-L273 WeakPolarHBondContact O-CB 3.45Å; F269-L273 PolarHBondContact O-N 3.42Å
270	Y	92.9	Very high	89.2	Confident	97 Å²	97	55 Å²	55	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-36	-177.9	-70.3	-72.9	0	0	0	112.3	I233 T237 I266 L267 L273 L274	I233-Y270 HydrophobicContact CG2-CE2 4.17Å; T237-Y270 VanDerWaalsContact CG2-OH 3.29Å; T237-Y270 WeakPolarHBondContact CG2-OH 3.15Å; T237-Y270 PolarHBondContact OG1-OH 3.31Å; I266-Y270 HydrophobicContact CB-CD2 4.19Å; I266-Y270 HydrophobicContact CB-CE2 4.02Å; I266-Y270 HydrophobicContact CD1-CD2 4.36Å; I266-Y270 HydrophobicContact CD1-CE2 3.99Å; I266-Y270 HydrophobicContact CG1-CD2 4.36Å; I266-Y270 HydrophobicContact CG1-CE2 4.31Å; I266-Y270 WeakPolarHBondContact O-CD2 3.43Å; I266-Y270 PolarHBondContact O-N 2.94Å; L267-Y270 PolarHBondContact O-N 2.93Å; Y270-L273 PolarHBondContact O-N 3.22Å; Y270-L274 WeakPolarHBondContact O-CB 3.23Å; Y270-L274 PolarHBondContact O-N 3Å
271	L	91.6	Very high	88.5	Confident	61 Å²	61	57.2 Å²	57.2	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-42.6	172.7	-70.9	-179.4	0	0	0	111.9	L267 F269 L273 L274 I275 L295	L267-L271 HydrophobicContact CD1-CD1 3.93Å; L267-L271 HydrophobicContact CD1-CD2 4.22Å; L267-L271 HydrophobicContact CD1-CG 3.8Å; L267-L271 HydrophobicContact CD2-CD1 4.11Å; L267-L271 HydrophobicContact CG-CD1 3.64Å; L267-L271 HydrophobicContact CG-CG 3.95Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 WeakPolarHBondContact O-CG 3.32Å; L267-L271 PolarHBondContact O-N 3.13Å; F269-L271 VanDerWaalsContact C-N 3.33Å; F269-L271 PolarHBondContact O-N 2.69Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L271-L274 PolarHBondContact O-N 3.41Å; L271-I275 WeakPolarHBondContact O-CB 3.39Å; L271-I275 VanDerWaalsContact O-CG1 3.25Å; L271-I275 WeakPolarHBondContact O-CG1 3.38Å; L271-I275 PolarHBondContact O-N 3.46Å; L271-L295 HydrophobicContact CB-CD1 3.82Å; L271-L295 HydrophobicContact CB-CD2 4.49Å; L271-L295 HydrophobicContact CD1-CD2 4.01Å
272	T	88.6	Confident	87.8	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.043	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-43.7	176.3	-57	0	0	0	0	110.9	P268 F269 I275 N276 A292	P268-T272 VanDerWaalsContact O-CB 3.32Å; P268-T272 WeakPolarHBondContact O-CB 3.16Å; P268-T272 PolarHBondContact O-N 3.42Å; P268-T272 PolarHBondContact O-OG1 2.97Å; F269-T272 PolarHBondContact O-N 3.46Å; T272-I275 PolarHBondContact O-N 3.43Å; T272-N276 WeakPolarHBondContact O-CB 3.42Å; T272-N276 PolarHBondContact O-N 2.99Å; T272-N276 PolarHBondContact O-ND2 3.43Å; T272-A292 HydrophobicContact CG2-CB 4.29Å
273	L	88.9	Confident	86.6	Confident	79 Å²	79	63 Å²	63	41%	0.414	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-47.3	176.2	-178.4	65.8	0	0	0	111.4	F269 Y270 L271 I275 N276 L277	F269-L273 HydrophobicContact CE1-CD2 4.45Å; F269-L273 WeakPolarHBondContact O-CB 3.45Å; F269-L273 PolarHBondContact O-N 3.42Å; Y270-L273 PolarHBondContact O-N 3.22Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L273-I275 PolarHBondContact O-N 2.91Å; L273-N276 PolarHBondContact O-N 3.33Å; L273-L277 HydrophobicContact CG-CD1 4.32Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.09Å
274	L	89.2	Confident	85.5	Confident	103 Å²	103	64.2 Å²	64.2	54%	0.539	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-45.5	177.5	-178.2	68.9	0	0	0	111.7	Y270 L271 L277 V278	Y270-L274 WeakPolarHBondContact O-CB 3.23Å; Y270-L274 PolarHBondContact O-N 3Å; L271-L274 PolarHBondContact O-N 3.41Å; L274-L277 PolarHBondContact O-N 2.92Å; L274-V278 VanDerWaalsContact O-CG2 3.31Å; L274-V278 WeakPolarHBondContact O-CG2 3.1Å; L274-V278 PolarHBondContact O-N 3.37Å
275	I	87.5	Confident	84.5	Confident	21 Å²	21	64.8 Å²	64.8	11%	0.108	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-45.2	178.4	-71.9	166.9	0	0	0	110.7	L271 T272 L273 L277 V278 V279 L288 V291 A292 L295	L271-I275 WeakPolarHBondContact O-CB 3.39Å; L271-I275 VanDerWaalsContact O-CG1 3.25Å; L271-I275 WeakPolarHBondContact O-CG1 3.38Å; L271-I275 PolarHBondContact O-N 3.46Å; T272-I275 PolarHBondContact O-N 3.43Å; L273-I275 PolarHBondContact O-N 2.91Å; I275-L277 VanDerWaalsContact C-N 3.33Å; I275-L277 PolarHBondContact O-N 2.98Å; I275-V278 PolarHBondContact O-N 3.49Å; I275-V279 HydrophobicContact CG2-CG2 4.06Å; I275-V279 WeakPolarHBondContact O-CB 3.07Å; I275-V279 VanDerWaalsContact O-CG2 3.26Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.26Å; I275-L288 HydrophobicContact CG1-CD2 4.37Å; I275-L288 HydrophobicContact CG2-CB 3.82Å; I275-L288 HydrophobicContact CG2-CD2 4.2Å; I275-V291 HydrophobicContact CD1-CG1 4.21Å; I275-A292 HydrophobicContact CG2-CB 4.32Å; I275-L295 HydrophobicContact CD1-CD1 3.41Å; I275-L295 VanDerWaalsContact CD1-CD1 3.41Å
276	N	83.7	Confident	83.3	Confident	84 Å²	84	67.9 Å²	67.9	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-41.8	-179.8	-70.4	-14.1	0	0	0	111.8	T272 L273 V278 V279 E280	T272-N276 WeakPolarHBondContact O-CB 3.42Å; T272-N276 PolarHBondContact O-N 2.99Å; T272-N276 PolarHBondContact O-ND2 3.43Å; L273-N276 PolarHBondContact O-N 3.33Å; N276-V278 PolarHBondContact O-N 3.02Å; N276-V279 PolarHBondContact O-N 3.23Å; N276-E280 PolarHBondContact O-N 3.1Å
277	L	85.2	Confident	82.5	Confident	92 Å²	92	72.3 Å²	72.3	48%	0.482	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-39.3	175.8	-68.3	169.5	0	0	0	112.6	L273 L274 I275 S281	L273-L277 HydrophobicContact CG-CD1 4.32Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.09Å; L274-L277 PolarHBondContact O-N 2.92Å; I275-L277 VanDerWaalsContact C-N 3.33Å; I275-L277 PolarHBondContact O-N 2.98Å; L277-S281 PolarHBondContact O-N 2.88Å; L277-S281 PolarHBondContact O-OG 2.84Å
278	V	84	Confident	81.7	Confident	62 Å²	62	71.2 Å²	71.2	38%	0.376	41%	0.409	S	S	.	.	H	α-helix	trans	-71.3	-39.4	178.1	172.9	0	0	0	0	111.4	L274 I275 N276 S281 S282 L285	L274-V278 VanDerWaalsContact O-CG2 3.31Å; L274-V278 WeakPolarHBondContact O-CG2 3.1Å; L274-V278 PolarHBondContact O-N 3.37Å; I275-V278 PolarHBondContact O-N 3.49Å; N276-V278 PolarHBondContact O-N 3.02Å; V278-S281 WeakPolarHBondContact O-CB 3.4Å; V278-S281 PolarHBondContact O-N 3.3Å; V278-S281 VanDerWaalsContact O-N 3.13Å; V278-S282 PolarHBondContact O-N 3.47Å; V278-S282 VanDerWaalsContact O-N 3.11Å; V278-L285 HydrophobicContact CG1-CD2 4.14Å
279	V	81.3	Confident	80.8	Confident	43 Å²	43	72.8 Å²	72.8	26%	0.261	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-38.7	178.3	170.7	0	0	0	0	111.3	I275 N276 S281 S282 L285 L288	I275-V279 HydrophobicContact CG2-CG2 4.06Å; I275-V279 WeakPolarHBondContact O-CB 3.07Å; I275-V279 VanDerWaalsContact O-CG2 3.26Å; I275-V279 WeakPolarHBondContact O-CG2 3.37Å; I275-V279 PolarHBondContact O-N 3.26Å; N276-V279 PolarHBondContact O-N 3.23Å; V279-S281 PolarHBondContact O-N 2.63Å; V279-S282 CarbonylContact O-C 3.53Å; V279-S282 VanDerWaalsContact O-C 3.29Å; V279-S282 PolarHBondContact O-N 2.84Å; V279-L285 HydrophobicContact CG2-CB 4.48Å; V279-L288 HydrophobicContact CG2-CB 4.07Å
280	E	77.6	Confident	80.2	Confident	165 Å²	165	79.2 Å²	79.2	77%	0.771	45%	0.45	S	S	*	.	H	α-helix	trans	-57.8	-34.5	170.8	-99	-176.2	157.9	0	0	112.3	N276	N276-E280 PolarHBondContact O-N 3.1Å
281	S	77.4	Confident	79.7	Confident	105 Å²	105	78 Å²	78	73%	0.734	45%	0.453	S	S	*	.	H	α-helix	trans	-79.8	-22.4	-179.5	-56.1	0	0	0	0	113.4	L277 V278 V279	L277-S281 PolarHBondContact O-N 2.88Å; L277-S281 PolarHBondContact O-OG 2.84Å; V278-S281 WeakPolarHBondContact O-CB 3.4Å; V278-S281 PolarHBondContact O-N 3.3Å; V278-S281 VanDerWaalsContact O-N 3.13Å; V279-S281 PolarHBondContact O-N 2.63Å
282	S	76.2	Confident	79	Confident	45 Å²	45	75.3 Å²	75.3	32%	0.315	44%	0.439	S	S	.	.			trans	-149.7	102.5	-179.6	-174.2	0	0	0	0	112.4	V278 V279 A284 L285	V278-S282 PolarHBondContact O-N 3.47Å; V278-S282 VanDerWaalsContact O-N 3.11Å; V279-S282 CarbonylContact O-C 3.53Å; V279-S282 VanDerWaalsContact O-C 3.29Å; V279-S282 PolarHBondContact O-N 2.84Å; S282-A284 PolarHBondContact O-N 3.28Å; S282-L285 PolarHBondContact O-N 3.05Å
283	P	68.9	Low	78.6	Confident	118 Å²	118	81.3 Å²	81.3	77%	0.766	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-67.6	-8.2	-179.7	26.8	-34.1	0	0	0	113.8	L285	P283-L285 PolarHBondContact O-N 3.35Å
284	A	68.4	Low	78.3	Confident	86 Å²	86	81.8 Å²	81.8	71%	0.711	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-68.1	-13.6	174.2	0	0	0	0	0	113.3	S282	S282-A284 PolarHBondContact O-N 3.28Å
285	L	71.6	Confident	78	Confident	58 Å²	58	77.9 Å²	77.9	30%	0.304	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-97.2	27.5	-176.4	-92	77.3	0	0	0	113.8	V278 V279 S282 P283 N287 L288	V278-L285 HydrophobicContact CG1-CD2 4.14Å; V279-L285 HydrophobicContact CG2-CB 4.48Å; S282-L285 PolarHBondContact O-N 3.05Å; P283-L285 PolarHBondContact O-N 3.35Å; L285-N287 PolarHBondContact O-N 2.8Å; L285-L288 HydrophobicContact CB-CD1 3.86Å; L285-L288 HydrophobicContact CD2-CD1 3.62Å; L285-L288 HydrophobicContact CD2-CD2 3.83Å; L285-L288 HydrophobicContact CD2-CG 4.33Å; L285-L288 HydrophobicContact CG-CD1 3.72Å; L285-L288 WeakPolarHBondContact O-CB 3.49Å; L285-L288 PolarHBondContact O-N 3Å
286	A	68.3	Low	77.8	Confident	73 Å²	73	82.3 Å²	82.3	60%	0.603	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-28	179.4	0	0	0	0	0	114.4	L288 G289	A286-L288 PolarHBondContact O-N 3.15Å; A286-G289 PolarHBondContact O-N 3.4Å; A286-G289 VanDerWaalsContact O-N 3.09Å
287	N	75.1	Confident	77.7	Confident	104 Å²	104	84.4 Å²	84.4	56%	0.556	48%	0.478	S	S	*	.	H	α-helix	trans	-62.6	-25.8	173.9	-73.1	-36.2	0	0	0	113.9	L285 G289 R290	L285-N287 PolarHBondContact O-N 2.8Å; N287-G289 VanDerWaalsContact C-N 3.26Å; N287-G289 PolarHBondContact O-N 3.07Å; N287-R290 PolarHBondContact O-N 2.76Å; N287-R290 PolarHBondContact OD1-NH2 2.96Å
288	L	75.9	Confident	77.8	Confident	51 Å²	51	83.7 Å²	83.7	27%	0.267	47%	0.473	S	S	.	.	H	α-helix	trans	-71	-21.1	174.5	-82.6	75.3	0	0	0	112.7	I275 V279 L285 A286 R290 V291 A292	I275-L288 HydrophobicContact CG1-CD2 4.37Å; I275-L288 HydrophobicContact CG2-CB 3.82Å; I275-L288 HydrophobicContact CG2-CD2 4.2Å; V279-L288 HydrophobicContact CG2-CB 4.07Å; L285-L288 HydrophobicContact CB-CD1 3.86Å; L285-L288 HydrophobicContact CD2-CD1 3.62Å; L285-L288 HydrophobicContact CD2-CD2 3.83Å; L285-L288 HydrophobicContact CD2-CG 4.33Å; L285-L288 HydrophobicContact CG-CD1 3.72Å; L285-L288 WeakPolarHBondContact O-CB 3.49Å; L285-L288 PolarHBondContact O-N 3Å; A286-L288 PolarHBondContact O-N 3.15Å; L288-R290 VanDerWaalsContact C-N 3.28Å; L288-R290 PolarHBondContact O-N 3.03Å; L288-V291 WeakPolarHBondContact O-CB 3.5Å; L288-V291 PolarHBondContact O-N 3.37Å; L288-V291 VanDerWaalsContact O-N 3.09Å; L288-A292 PolarHBondContact O-N 3.35Å
289	G	74.1	Confident	77.9	Confident	40 Å²	40	82.3 Å²	82.3	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-61.3	-36.7	172.7	0	0	0	0	0	112.5	A286 N287 V291 A292 Q293	A286-G289 PolarHBondContact O-N 3.4Å; A286-G289 VanDerWaalsContact O-N 3.09Å; N287-G289 VanDerWaalsContact C-N 3.26Å; N287-G289 PolarHBondContact O-N 3.07Å; G289-V291 VanDerWaalsContact C-N 3.34Å; G289-A292 WeakPolarHBondContact O-CB 3.28Å; G289-A292 PolarHBondContact O-N 3.26Å; G289-Q293 PolarHBondContact O-N 2.85Å
290	R	78.6	Confident	78.3	Confident	169 Å²	169	84.4 Å²	84.4	64%	0.638	47%	0.47	S	S	*	.	H	α-helix	trans	-66.5	-36	172.7	-72.7	-171.6	-75.8	171	-5.6	112.1	N287 L288 Q293 V294	N287-R290 PolarHBondContact O-N 2.76Å; N287-R290 PolarHBondContact OD1-NH2 2.96Å; L288-R290 VanDerWaalsContact C-N 3.28Å; L288-R290 PolarHBondContact O-N 3.03Å; R290-Q293 WeakPolarHBondContact O-CB 3.27Å; R290-Q293 PolarHBondContact O-N 2.83Å; R290-V294 PolarHBondContact O-N 3.1Å
291	V	81.5	Confident	78.8	Confident	73 Å²	73	80 Å²	80	44%	0.442	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-41.4	175.2	-179.5	0	0	0	0	110.5	I275 L288 G289 Q293 V294 L295	I275-V291 HydrophobicContact CD1-CG1 4.21Å; L288-V291 WeakPolarHBondContact O-CB 3.5Å; L288-V291 PolarHBondContact O-N 3.37Å; L288-V291 VanDerWaalsContact O-N 3.09Å; G289-V291 VanDerWaalsContact C-N 3.34Å; V291-Q293 VanDerWaalsContact C-N 3.26Å; V291-Q293 PolarHBondContact O-N 2.87Å; V291-V294 PolarHBondContact O-N 3.49Å; V291-V294 VanDerWaalsContact O-N 3.16Å; V291-L295 HydrophobicContact CG1-CD1 4.22Å; V291-L295 HydrophobicContact CG1-CG 4.4Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.4Å
292	A	77.9	Confident	79.5	Confident	3 Å²	3	75.4 Å²	75.4	3%	0.025	42%	0.415	C	S	.	.	H	α-helix	trans	-58.9	-36	174.7	0	0	0	0	0	112.4	T272 I275 L288 G289 L295 R296	T272-A292 HydrophobicContact CG2-CB 4.29Å; I275-A292 HydrophobicContact CG2-CB 4.32Å; L288-A292 PolarHBondContact O-N 3.35Å; G289-A292 WeakPolarHBondContact O-CB 3.28Å; G289-A292 PolarHBondContact O-N 3.26Å; A292-L295 PolarHBondContact O-N 3.49Å; A292-R296 WeakPolarHBondContact O-CG 3.3Å; A292-R296 PolarHBondContact O-N 3.44Å; A292-R296 VanDerWaalsContact O-N 3.12Å
293	Q	78.2	Confident	80.2	Confident	134 Å²	134	76.9 Å²	76.9	63%	0.626	42%	0.419	S	S	*	.	H	α-helix	trans	-64.5	-43.3	175	-169.2	177.8	6.9	0	0	112.3	G289 R290 V291 L295 R296	G289-Q293 PolarHBondContact O-N 2.85Å; R290-Q293 WeakPolarHBondContact O-CB 3.27Å; R290-Q293 PolarHBondContact O-N 2.83Å; V291-Q293 VanDerWaalsContact C-N 3.26Å; V291-Q293 PolarHBondContact O-N 2.87Å; Q293-L295 VanDerWaalsContact C-N 3.35Å; Q293-R296 WeakPolarHBondContact O-CB 3.47Å; Q293-R296 PolarHBondContact O-N 2.96Å
294	V	83	Confident	81.2	Confident	88 Å²	88	75 Å²	75	53%	0.533	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.3	178.6	0	0	0	0	111.1	R290 V291 R296 L297 M298	R290-V294 PolarHBondContact O-N 3.1Å; V291-V294 PolarHBondContact O-N 3.49Å; V291-V294 VanDerWaalsContact O-N 3.16Å; V294-R296 VanDerWaalsContact C-N 3.26Å; V294-R296 PolarHBondContact O-N 3.21Å; V294-L297 WeakPolarHBondContact O-CB 3.4Å; V294-L297 PolarHBondContact O-N 2.9Å; V294-M298 PolarHBondContact O-N 2.75Å
295	L	84.3	Confident	82.3	Confident	22 Å²	22	71 Å²	71	12%	0.115	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-31.3	176.2	-70.9	172.2	0	0	0	112.6	P268 L271 I275 V291 A292 Q293 L297 M298	P268-L295 VanDerWaalsContact CB-O 3.32Å; P268-L295 WeakPolarHBondContact CB-O 3.46Å; L271-L295 HydrophobicContact CB-CD1 3.82Å; L271-L295 HydrophobicContact CB-CD2 4.49Å; L271-L295 HydrophobicContact CD1-CD2 4.01Å; I275-L295 HydrophobicContact CD1-CD1 3.41Å; I275-L295 VanDerWaalsContact CD1-CD1 3.41Å; V291-L295 HydrophobicContact CG1-CD1 4.22Å; V291-L295 HydrophobicContact CG1-CG 4.4Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.4Å; A292-L295 PolarHBondContact O-N 3.49Å; Q293-L295 VanDerWaalsContact C-N 3.35Å; L295-L297 VanDerWaalsContact C-N 3.26Å; L295-L297 PolarHBondContact O-N 3.4Å; L295-M298 HydrophobicContact CD2-CG 4.37Å; L295-M298 WeakPolarHBondContact O-CB 3.33Å; L295-M298 PolarHBondContact O-N 3.29Å
296	R	81.5	Confident	83.1	Confident	113 Å²	113	70 Å²	70	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-37.6	172	-67	-175.1	-143.5	-155.7	6	112.2	E221 A292 Q293 V294 M298 R299	E221-R296 IonicContact OE1-NH1 2.71Å; E221-R296 PolarHBondContact OE1-NH1 3.4Å; A292-R296 WeakPolarHBondContact O-CG 3.3Å; A292-R296 PolarHBondContact O-N 3.44Å; A292-R296 VanDerWaalsContact O-N 3.12Å; Q293-R296 WeakPolarHBondContact O-CB 3.47Å; Q293-R296 PolarHBondContact O-N 2.96Å; V294-R296 VanDerWaalsContact C-N 3.26Å; V294-R296 PolarHBondContact O-N 3.21Å; R296-M298 VanDerWaalsContact C-N 3.33Å; R296-M298 PolarHBondContact O-N 3.24Å; R296-R299 VanDerWaalsContact O-CB 3.29Å; R296-R299 WeakPolarHBondContact O-CB 3.27Å; R296-R299 WeakPolarHBondContact O-CD 3.19Å; R296-R299 VanDerWaalsContact O-CG 3.26Å; R296-R299 WeakPolarHBondContact O-CG 3.43Å; R296-R299 PolarHBondContact O-N 2.84Å
297	L	82.6	Confident	84	Confident	129 Å²	129	67.2 Å²	67.2	68%	0.675	34%	0.34	S	S	*	.	H	α-helix	trans	-67.2	-34.8	176.6	-58.6	175.8	0	0	0	112	V294 L295 R299 I300	V294-L297 WeakPolarHBondContact O-CB 3.4Å; V294-L297 PolarHBondContact O-N 2.9Å; L295-L297 VanDerWaalsContact C-N 3.26Å; L295-L297 PolarHBondContact O-N 3.4Å; L297-R299 PolarHBondContact O-N 2.85Å; L297-R299 VanDerWaalsContact O-N 3.08Å; L297-I300 WeakPolarHBondContact O-CB 3.49Å; L297-I300 WeakPolarHBondContact O-CG2 3.49Å; L297-I300 PolarHBondContact O-N 3.45Å; L297-I300 VanDerWaalsContact O-N 3.08Å
298	M	86.9	Confident	84.6	Confident	77 Å²	77	63.2 Å²	63.2	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-18.7	177.9	-58.6	-77.2	-80.1	0	0	112.8	P268 V294 L295 R296 I300 F301	P268-M298 HydrophobicContact CB-CB 4.1Å; P268-M298 HydrophobicContact CG-CB 3.74Å; V294-M298 PolarHBondContact O-N 2.75Å; L295-M298 HydrophobicContact CD2-CG 4.37Å; L295-M298 WeakPolarHBondContact O-CB 3.33Å; L295-M298 PolarHBondContact O-N 3.29Å; R296-M298 VanDerWaalsContact C-N 3.33Å; R296-M298 PolarHBondContact O-N 3.24Å; M298-I300 PolarHBondContact O-N 3.38Å; M298-I300 VanDerWaalsContact O-N 3.08Å; M298-F301 HydrophobicContact CB-CD2 4.12Å; M298-F301 HydrophobicContact CB-CE2 4.15Å; M298-F301 HydrophobicContact CE-CD2 4.24Å; M298-F301 HydrophobicContact CE-CE2 3.47Å; M298-F301 VanDerWaalsContact CE-CE2 3.47Å; M298-F301 HydrophobicContact CE-CZ 4.41Å; M298-F301 HydrophobicContact CG-CE2 4.44Å; M298-F301 WeakPolarHBondContact O-CB 3.43Å; M298-F301 WeakPolarHBondContact O-CD2 3.37Å; M298-F301 WeakPolarHBondContact O-CG 3.48Å; M298-F301 PolarHBondContact O-N 2.96Å; M298-F301 HydrophobicContact SD-CD2 4.36Å; M298-F301 HydrophobicContact SD-CE2 3.47Å; M298-F301 WeakPolarHBondContact SD-CE2 3.44Å; M298-F301 HydrophobicContact SD-CZ 4.19Å
299	R	87	Confident	85	Confident	32 Å²	32	62.6 Å²	62.6	12%	0.121	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-58.3	-20.8	174	-61.1	176	-174.3	179	5.8	112.3	E229 P268 R296 L297 F301 R302	E229-R299 VanDerWaalsContact OE1-CD 3.28Å; E229-R299 WeakPolarHBondContact OE1-CD 3.33Å; E229-R299 IonicContact OE1-CZ 2.84Å; E229-R299 IonicContact OE1-NE 3.9Å; E229-R299 IonicContact OE1-NH1 2.73Å; E229-R299 PolarHBondContact OE1-NH1 2.84Å; E229-R299 IonicContact OE2-CZ 3.64Å; E229-R299 IonicContact OE2-NH1 3.68Å; E229-R299 PolarHBondContact OE2-NH1 3.45Å; P268-R299 HydrophobicContact CB-CG 3.79Å; P268-R299 HydrophobicContact CG-CG 4.42Å; R296-R299 VanDerWaalsContact O-CB 3.29Å; R296-R299 WeakPolarHBondContact O-CB 3.27Å; R296-R299 WeakPolarHBondContact O-CD 3.19Å; R296-R299 VanDerWaalsContact O-CG 3.26Å; R296-R299 WeakPolarHBondContact O-CG 3.43Å; R296-R299 PolarHBondContact O-N 2.84Å; L297-R299 PolarHBondContact O-N 2.85Å; L297-R299 VanDerWaalsContact O-N 3.08Å; R299-F301 PolarHBondContact O-N 3.3Å; R299-F301 VanDerWaalsContact O-N 3.11Å; R299-R302 WeakPolarHBondContact O-CB 3.27Å; R299-R302 WeakPolarHBondContact O-CD 3.33Å; R299-R302 WeakPolarHBondContact O-CG 3.33Å; R299-R302 PolarHBondContact O-N 3.29Å
300	I	89.1	Confident	85.5	Confident	87 Å²	87	62.5 Å²	62.5	45%	0.446	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-55	-28.3	172.9	-164	160.4	0	0	0	112.5	M202 L297 M298 R302 I303	M202-I300 HydrophobicContact CE-CB 4.28Å; M202-I300 HydrophobicContact CE-CD1 4.15Å; M202-I300 HydrophobicContact CE-CG1 3.98Å; M202-I300 HydrophobicContact SD-CB 4.24Å; L297-I300 WeakPolarHBondContact O-CB 3.49Å; L297-I300 WeakPolarHBondContact O-CG2 3.49Å; L297-I300 PolarHBondContact O-N 3.45Å; L297-I300 VanDerWaalsContact O-N 3.08Å; M298-I300 PolarHBondContact O-N 3.38Å; M298-I300 VanDerWaalsContact O-N 3.08Å; I300-R302 PolarHBondContact O-N 3.08Å; I300-I303 WeakPolarHBondContact O-CB 3.46Å; I300-I303 WeakPolarHBondContact O-CG2 3.34Å; I300-I303 PolarHBondContact O-N 3.04Å
301	F	88.9	Confident	85.5	Confident	74 Å²	74	55.3 Å²	55.3	33%	0.325	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.5	-16.1	177.3	-64.7	-49.5	0	0	0	114.1	V264 M298 R299 I303 L304	V264-F301 HydrophobicContact CG1-CB 3.79Å; V264-F301 HydrophobicContact CG1-CD2 3.94Å; V264-F301 HydrophobicContact CG1-CG 4.05Å; M298-F301 HydrophobicContact CB-CD2 4.12Å; M298-F301 HydrophobicContact CB-CE2 4.15Å; M298-F301 HydrophobicContact CE-CD2 4.24Å; M298-F301 HydrophobicContact CE-CE2 3.47Å; M298-F301 VanDerWaalsContact CE-CE2 3.47Å; M298-F301 HydrophobicContact CE-CZ 4.41Å; M298-F301 HydrophobicContact CG-CE2 4.44Å; M298-F301 WeakPolarHBondContact O-CB 3.43Å; M298-F301 WeakPolarHBondContact O-CD2 3.37Å; M298-F301 WeakPolarHBondContact O-CG 3.48Å; M298-F301 PolarHBondContact O-N 2.96Å; M298-F301 HydrophobicContact SD-CD2 4.36Å; M298-F301 HydrophobicContact SD-CE2 3.47Å; M298-F301 WeakPolarHBondContact SD-CE2 3.44Å; M298-F301 HydrophobicContact SD-CZ 4.19Å; R299-F301 PolarHBondContact O-N 3.3Å; R299-F301 VanDerWaalsContact O-N 3.11Å; F301-I303 PolarHBondContact O-N 3.5Å; F301-I303 VanDerWaalsContact O-N 3.14Å; F301-L304 HydrophobicContact CB-CD1 4.32Å; F301-L304 HydrophobicContact CD1-CD1 3.92Å; F301-L304 VanDerWaalsContact O-CB 3.23Å; F301-L304 WeakPolarHBondContact O-CB 3.45Å; F301-L304 WeakPolarHBondContact O-CG 3.46Å; F301-L304 PolarHBondContact O-N 3.34Å
302	R	90.6	Very high	85.5	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.6	-22.9	169.8	76	-163.6	173.7	-166.3	1.3	113.2	S198 E229 F236 R299 I300 L304 K305	S198-R302 PolarHBondContact O-NH2 2.93Å; S198-R302 VanDerWaalsContact OG-CD 3.3Å; S198-R302 WeakPolarHBondContact OG-CD 3.31Å; S198-R302 PolarHBondContact OG-NE 3.21Å; S198-R302 PolarHBondContact OG-NH1 2.86Å; S198-R302 VanDerWaalsContact OG-NH1 3.13Å; E229-R302 IonicContact OE1-CZ 2.9Å; E229-R302 IonicContact OE1-NH1 4Å; E229-R302 PolarHBondContact OE1-NH1 3.47Å; F236-R302 HydrophobicContact CE2-CB 4.28Å; R299-R302 WeakPolarHBondContact O-CB 3.27Å; R299-R302 WeakPolarHBondContact O-CD 3.33Å; R299-R302 WeakPolarHBondContact O-CG 3.33Å; R299-R302 PolarHBondContact O-N 3.29Å; I300-R302 PolarHBondContact O-N 3.08Å; R302-L304 PolarHBondContact O-N 3.36Å; R302-K305 WeakPolarHBondContact O-CB 3.32Å; R302-K305 PolarHBondContact O-N 3.03Å; R302-K305 VanDerWaalsContact O-N 3.11Å
303	I	91.4	Very high	85.8	Confident	77 Å²	77	56.6 Å²	56.6	40%	0.395	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.2	-32.1	172.3	-160.6	168.5	0	0	0	112.1	I199 I300 F301 K305 L306	I199-I303 HydrophobicContact CD1-CB 4.28Å; I199-I303 HydrophobicContact CD1-CD1 4.47Å; I199-I303 HydrophobicContact CD1-CG1 3.87Å; I300-I303 WeakPolarHBondContact O-CB 3.46Å; I300-I303 WeakPolarHBondContact O-CG2 3.34Å; I300-I303 PolarHBondContact O-N 3.04Å; F301-I303 PolarHBondContact O-N 3.5Å; F301-I303 VanDerWaalsContact O-N 3.14Å; I303-K305 PolarHBondContact O-N 3.23Å; I303-L306 HydrophobicContact CG1-CD1 4.05Å; I303-L306 VanDerWaalsContact O-CB 3.29Å; I303-L306 WeakPolarHBondContact O-CB 3.26Å; I303-L306 WeakPolarHBondContact O-CG 3.21Å; I303-L306 PolarHBondContact O-N 3.46Å; I303-L306 VanDerWaalsContact O-N 3.09Å
304	L	89.9	Confident	86	Confident	79 Å²	79	53.7 Å²	53.7	41%	0.414	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65	-22.1	179.3	-59.1	177.2	0	0	0	111.7	I261 F301 R302 L306 A307	I261-L304 VanDerWaalsContact CG2-C 3.5Å; I261-L304 HydrophobicContact CG2-CB 3.8Å; F301-L304 HydrophobicContact CB-CD1 4.32Å; F301-L304 HydrophobicContact CD1-CD1 3.92Å; F301-L304 VanDerWaalsContact O-CB 3.23Å; F301-L304 WeakPolarHBondContact O-CB 3.45Å; F301-L304 WeakPolarHBondContact O-CG 3.46Å; F301-L304 PolarHBondContact O-N 3.34Å; R302-L304 PolarHBondContact O-N 3.36Å; L304-L306 PolarHBondContact O-N 3.39Å; L304-L306 VanDerWaalsContact O-N 3.16Å; L304-A307 WeakPolarHBondContact O-CB 3.34Å; L304-A307 PolarHBondContact O-N 2.86Å
305	K	91.1	Very high	85.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.9	-24.4	174.7	-165.5	174.1	170.5	92.8	0	112.4	V195 F236 E239 D262 R302 I303 A307 R308	V195-K305 HydrophobicContact CG2-CB 4.2Å; V195-K305 HydrophobicContact CG2-CD 3.76Å; V195-K305 HydrophobicContact CG2-CG 4.1Å; F236-K305 HydrophobicContact CD1-CD 3.82Å; F236-K305 VanDerWaalsContact CD1-CE 3.45Å; F236-K305 HydrophobicContact CE1-CD 3.84Å; F236-K305 HydrophobicContact CG-CD 4.28Å; F236-K305 HydrophobicContact CZ-CD 4.29Å; E239-K305 WeakPolarHBondContact OE2-CE 3.26Å; E239-K305 IonicContact OE2-NZ 3.53Å; E239-K305 PolarHBondContact OE2-NZ 3.46Å; D262-K305 IonicContact OD1-NZ 2.8Å; D262-K305 PolarHBondContact OD1-NZ 3.47Å; R302-K305 WeakPolarHBondContact O-CB 3.32Å; R302-K305 PolarHBondContact O-N 3.03Å; R302-K305 VanDerWaalsContact O-N 3.11Å; I303-K305 PolarHBondContact O-N 3.23Å; K305-A307 PolarHBondContact O-N 3.43Å; K305-R308 WeakPolarHBondContact O-CB 3.27Å; K305-R308 PolarHBondContact O-N 3.04Å; K305-R308 VanDerWaalsContact O-N 3.13Å
306	L	89.5	Confident	85.7	Confident	39 Å²	39	52.7 Å²	52.7	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-24.7	171	-66.8	174.8	0	0	0	112.7	V195 L196 I199 I303 L304 R308 H309 S310 L313	V195-L306 HydrophobicContact CB-CD2 4.26Å; V195-L306 HydrophobicContact CG1-CD2 3.67Å; V195-L306 HydrophobicContact CG1-CG 3.8Å; L196-L306 HydrophobicContact CD2-CD2 4.48Å; I199-L306 HydrophobicContact CD1-CD1 4.23Å; I303-L306 HydrophobicContact CG1-CD1 4.05Å; I303-L306 VanDerWaalsContact O-CB 3.29Å; I303-L306 WeakPolarHBondContact O-CB 3.26Å; I303-L306 WeakPolarHBondContact O-CG 3.21Å; I303-L306 PolarHBondContact O-N 3.46Å; I303-L306 VanDerWaalsContact O-N 3.09Å; L304-L306 PolarHBondContact O-N 3.39Å; L304-L306 VanDerWaalsContact O-N 3.16Å; L306-R308 PolarHBondContact O-N 3.05Å; L306-H309 PolarHBondContact O-N 3.37Å; L306-S310 WeakPolarHBondContact O-CB 3.49Å; L306-S310 PolarHBondContact O-N 2.85Å; L306-L313 HydrophobicContact CB-CD2 4.18Å
307	A	87.1	Confident	85.8	Confident	13 Å²	13	49.1 Å²	49.1	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-34.9	176	0	0	0	0	0	112	I261 L304 K305 H309 S310 L313 R314	I261-A307 HydrophobicContact CD1-CB 4.45Å; L304-A307 WeakPolarHBondContact O-CB 3.34Å; L304-A307 PolarHBondContact O-N 2.86Å; K305-A307 PolarHBondContact O-N 3.43Å; A307-H309 PolarHBondContact O-N 2.84Å; A307-S310 PolarHBondContact O-N 3.01Å; A307-L313 HydrophobicContact CB-CB 4.05Å; A307-L313 HydrophobicContact CB-CD2 4.28Å; A307-R314 WeakPolarHBondContact O-CD 3.38Å; A307-R314 WeakPolarHBondContact O-CG 3.38Å
308	R	86.4	Confident	85.5	Confident	20 Å²	20	44.5 Å²	44.5	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-32.3	176.7	-176.1	173.4	-74.7	-81.6	4.8	112.4	D176 L258 N259 D262 K305 L306	D176-R308 IonicContact OD1-NH1 3.36Å; D176-R308 PolarHBondContact OD1-NH1 2.83Å; L258-R308 PolarHBondContact O-NH2 3.43Å; N259-R308 PolarHBondContact OD1-NH2 3.41Å; D262-R308 IonicContact OD1-NE 2.99Å; D262-R308 IonicContact OD2-CZ 3.77Å; D262-R308 VanDerWaalsContact OD2-CZ 3.25Å; D262-R308 IonicContact OD2-NE 4Å; D262-R308 PolarHBondContact OD2-NE 3.14Å; D262-R308 IonicContact OD2-NH2 2.91Å; D262-R308 PolarHBondContact OD2-NH2 2.94Å; K305-R308 WeakPolarHBondContact O-CB 3.27Å; K305-R308 PolarHBondContact O-N 3.04Å; K305-R308 VanDerWaalsContact O-N 3.13Å; L306-R308 PolarHBondContact O-N 3.05Å
309	H	84.4	Confident	85.1	Confident	38 Å²	38	41 Å²	41	18%	0.176	23%	0.225	C	C	.	.	H	α-helix	trans	-102.9	-9.8	-175	-58.9	-65.7	0	0	0	114	I192 L306 A307	I192-H309 HydrophobicContact CD1-CB 3.71Å; I192-H309 HydrophobicContact CG1-CB 3.67Å; L306-H309 PolarHBondContact O-N 3.37Å; A307-H309 PolarHBondContact O-N 2.84Å
310	S	85.4	Confident	85	Confident	38 Å²	38	43.3 Å²	43.3	27%	0.266	24%	0.24	S	C	.	.			trans	-112.6	110.4	-179.8	175.6	0	0	0	0	110.8	L306 A307 G312 L313 R314	L306-S310 WeakPolarHBondContact O-CB 3.49Å; L306-S310 PolarHBondContact O-N 2.85Å; A307-S310 PolarHBondContact O-N 3.01Å; S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.91Å; S310-L313 PolarHBondContact O-N 3.43Å; S310-L313 WeakPolarHBondContact OG-CD1 3.47Å; S310-L313 PolarHBondContact OG-N 3.28Å; S310-R314 WeakPolarHBondContact O-CG 3.49Å; S310-R314 PolarHBondContact O-N 3.48Å; S310-R314 VanDerWaalsContact O-N 3.13Å
311	T	79.5	Confident	84.6	Confident	19 Å²	19	48.3 Å²	48.3	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-34	171.4	-52.5	0	0	0	0	111.3	R314 S315 Q418 E422	T311-R314 PolarHBondContact O-N 2.89Å; T311-R314 PolarHBondContact OG1-NH2 3.49Å; T311-S315 WeakPolarHBondContact O-CB 3.36Å; T311-S315 PolarHBondContact O-N 2.88Å; T311-S315 PolarHBondContact O-OG 3.21Å; T311-Q418 HydrophobicContact CG2-CB 4.06Å; T311-Q418 HydrophobicContact CG2-CG 3.88Å; T311-E422 PolarHBondContact OG1-OE2 3.21Å
312	G	81.1	Confident	84.2	Confident	22 Å²	22	48.5 Å²	48.5	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-38.3	176.4	0	0	0	0	0	114.1	S310 S315 L316	S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.91Å; G312-S315 WeakPolarHBondContact CA-OG 3.34Å; G312-S315 PolarHBondContact O-OG 2.77Å; G312-L316 VanDerWaalsContact O-CB 3.31Å; G312-L316 WeakPolarHBondContact O-CB 3.3Å; G312-L316 PolarHBondContact O-N 3.04Å
313	L	84.3	Confident	83.8	Confident	80 Å²	80	48.5 Å²	48.5	42%	0.419	26%	0.259	S	S	.	.	H	α-helix	trans	-71.3	-37.6	176.2	-92.8	70.9	0	0	0	111.3	L306 A307 S310 L316 G317	L306-L313 HydrophobicContact CB-CD2 4.18Å; A307-L313 HydrophobicContact CB-CB 4.05Å; A307-L313 HydrophobicContact CB-CD2 4.28Å; S310-L313 PolarHBondContact O-N 3.43Å; S310-L313 WeakPolarHBondContact OG-CD1 3.47Å; S310-L313 PolarHBondContact OG-N 3.28Å; L313-L316 PolarHBondContact O-N 3.13Å; L313-G317 PolarHBondContact O-N 3.44Å
314	R	82.5	Confident	83.5	Confident	74 Å²	74	51.7 Å²	51.7	28%	0.279	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-43.7	173.9	-65	-179.8	-79.1	164.2	-1.3	111.1	A307 S310 T311 L316 G317 A318	A307-R314 WeakPolarHBondContact O-CD 3.38Å; A307-R314 WeakPolarHBondContact O-CG 3.38Å; S310-R314 WeakPolarHBondContact O-CG 3.49Å; S310-R314 PolarHBondContact O-N 3.48Å; S310-R314 VanDerWaalsContact O-N 3.13Å; T311-R314 PolarHBondContact O-N 2.89Å; T311-R314 PolarHBondContact OG1-NH2 3.49Å; R314-L316 VanDerWaalsContact C-N 3.32Å; R314-L316 PolarHBondContact O-N 3.23Å; R314-G317 PolarHBondContact O-N 2.94Å; R314-A318 WeakPolarHBondContact O-CB 3.33Å; R314-A318 PolarHBondContact O-N 2.99Å
315	S	77.1	Confident	83.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-36.4	179.5	70.6	0	0	0	0	111.1	T311 G312 T319 F411 Q418	T311-S315 WeakPolarHBondContact O-CB 3.36Å; T311-S315 PolarHBondContact O-N 2.88Å; T311-S315 PolarHBondContact O-OG 3.21Å; G312-S315 WeakPolarHBondContact CA-OG 3.34Å; G312-S315 PolarHBondContact O-OG 2.77Å; S315-T319 VanDerWaalsContact O-CB 3.27Å; S315-T319 WeakPolarHBondContact O-CB 3.49Å; S315-T319 PolarHBondContact O-N 3.45Å; S315-T319 PolarHBondContact O-OG1 2.92Å; S315-F411 VanDerWaalsContact OG-CE2 3.23Å; S315-F411 WeakPolarHBondContact OG-CE2 3.3Å; S315-Q418 VanDerWaalsContact CB-OE1 3.27Å
316	L	84.2	Confident	83.1	Confident	88 Å²	88	58.7 Å²	58.7	46%	0.461	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-47	173.1	-172.9	148.6	0	0	0	111.2	G312 L313 R314 T319 L320 F411	G312-L316 VanDerWaalsContact O-CB 3.31Å; G312-L316 WeakPolarHBondContact O-CB 3.3Å; G312-L316 PolarHBondContact O-N 3.04Å; L313-L316 PolarHBondContact O-N 3.13Å; R314-L316 VanDerWaalsContact C-N 3.32Å; R314-L316 PolarHBondContact O-N 3.23Å; L316-T319 PolarHBondContact O-N 2.84Å; L316-L320 HydrophobicContact CD2-CD1 3.56Å; L316-L320 HydrophobicContact CD2-CG 4.14Å; L316-L320 WeakPolarHBondContact O-CG 3.26Å; L316-L320 PolarHBondContact O-N 3.18Å; L316-F411 HydrophobicContact CB-CD2 4.42Å; L316-F411 HydrophobicContact CB-CE2 4.01Å
317	G	83.3	Confident	83	Confident	39 Å²	39	58.4 Å²	58.4	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.9	0	0	0	0	0	113	L313 R314 T319 L320 R321	L313-G317 PolarHBondContact O-N 3.44Å; R314-G317 PolarHBondContact O-N 2.94Å; G317-T319 VanDerWaalsContact C-N 3.34Å; G317-T319 PolarHBondContact O-N 3.41Å; G317-L320 PolarHBondContact O-N 3.29Å; G317-R321 PolarHBondContact O-N 2.91Å
318	A	75	Confident	83.1	Confident	31 Å²	31	59.4 Å²	59.4	26%	0.256	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-41.6	175.5	0	0	0	0	0	111.8	R314 R321 N322	R314-A318 WeakPolarHBondContact O-CB 3.33Å; R314-A318 PolarHBondContact O-N 2.99Å; A318-R321 PolarHBondContact O-N 3.37Å; A318-N322 PolarHBondContact O-N 3.45Å; A318-N322 PolarHBondContact O-ND2 2.93Å
319	T	79.4	Confident	83.3	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-49.9	175.9	-56	0	0	0	0	110.5	S315 L316 G317 R321 N322 S323 K410 F411 F414	S315-T319 VanDerWaalsContact O-CB 3.27Å; S315-T319 WeakPolarHBondContact O-CB 3.49Å; S315-T319 PolarHBondContact O-N 3.45Å; S315-T319 PolarHBondContact O-OG1 2.92Å; L316-T319 PolarHBondContact O-N 2.84Å; G317-T319 VanDerWaalsContact C-N 3.34Å; G317-T319 PolarHBondContact O-N 3.41Å; T319-R321 VanDerWaalsContact C-N 3.3Å; T319-R321 PolarHBondContact O-N 3.21Å; T319-N322 PolarHBondContact O-N 3.37Å; T319-N322 VanDerWaalsContact O-N 3.15Å; T319-S323 WeakPolarHBondContact O-CB 3.49Å; T319-S323 PolarHBondContact O-N 2.93Å; T319-S323 PolarHBondContact O-OG 3.09Å; T319-K410 HydrophobicContact CG2-CB 4.13Å; T319-F411 HydrophobicContact CG2-CB 3.99Å; T319-F411 WeakPolarHBondContact OG1-CA 3.5Å; T319-F414 HydrophobicContact CG2-CD2 4.36Å
320	L	84.1	Confident	83.6	Confident	82 Å²	82	60.9 Å²	60.9	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-38.8	178.8	-73.5	178.4	0	0	0	112.5	L316 G317 N322 Y324 V327	L316-L320 HydrophobicContact CD2-CD1 3.56Å; L316-L320 HydrophobicContact CD2-CG 4.14Å; L316-L320 WeakPolarHBondContact O-CG 3.26Å; L316-L320 PolarHBondContact O-N 3.18Å; G317-L320 PolarHBondContact O-N 3.29Å; L320-N322 VanDerWaalsContact C-N 3.33Å; L320-Y324 WeakPolarHBondContact O-CA 3.28Å; L320-Y324 PolarHBondContact O-N 3.33Å; L320-V327 HydrophobicContact CD2-CG2 3.92Å
321	R	81.8	Confident	83.9	Confident	192 Å²	192	64.2 Å²	64.2	73%	0.725	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-41.6	176.1	-177.6	177.3	179.5	-179.3	-0.7	111.4	G317 A318 T319 Y324	G317-R321 PolarHBondContact O-N 2.91Å; A318-R321 PolarHBondContact O-N 3.37Å; T319-R321 VanDerWaalsContact C-N 3.3Å; T319-R321 PolarHBondContact O-N 3.21Å; R321-Y324 VanDerWaalsContact O-CD1 3.28Å; R321-Y324 WeakPolarHBondContact O-CD1 3.32Å
322	N	78.9	Confident	84.6	Confident	77 Å²	77	68 Å²	68	41%	0.412	35%	0.35	S	S	.	.	H	α-helix	trans	-83.1	-28.6	-177.2	-68	-19.6	0	0	0	112.5	A318 T319 L320 F414	A318-N322 PolarHBondContact O-N 3.45Å; A318-N322 PolarHBondContact O-ND2 2.93Å; T319-N322 PolarHBondContact O-N 3.37Å; T319-N322 VanDerWaalsContact O-N 3.15Å; L320-N322 VanDerWaalsContact C-N 3.33Å; N322-F414 HydrophobicContact CB-CE2 4.07Å; N322-F414 HydrophobicContact CB-CZ 4Å; N322-F414 WeakPolarHBondContact ND2-CE1 3.49Å; N322-F414 WeakPolarHBondContact ND2-CZ 3.38Å
323	S	82.8	Confident	85.2	Confident	7 Å²	7	72.6 Å²	72.6	5%	0.049	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	17.7	176.6	71.4	0	0	0	0	113.4	T319 K325 E326 V327	T319-S323 WeakPolarHBondContact O-CB 3.49Å; T319-S323 PolarHBondContact O-N 2.93Å; T319-S323 PolarHBondContact O-OG 3.09Å; S323-K325 PolarHBondContact O-N 3.16Å; S323-K325 VanDerWaalsContact O-N 3.1Å; S323-E326 PolarHBondContact O-N 3.28Å; S323-V327 WeakPolarHBondContact O-CG2 3.26Å; S323-V327 PolarHBondContact O-N 3.28Å
324	Y	84.9	Confident	85.6	Confident	145 Å²	145	70.4 Å²	70.4	57%	0.569	35%	0.35	S	S	*	.	H	α-helix	trans	-57.2	-32.3	-175.7	81.6	-87.3	0	0	0	113	L320 R321 G328	L320-Y324 WeakPolarHBondContact O-CA 3.28Å; L320-Y324 PolarHBondContact O-N 3.33Å; R321-Y324 VanDerWaalsContact O-CD1 3.28Å; R321-Y324 WeakPolarHBondContact O-CD1 3.32Å; Y324-G328 WeakPolarHBondContact O-CA 3.29Å; Y324-G328 PolarHBondContact O-N 3.32Å
325	K	85.9	Confident	86.2	Confident	143 Å²	143	69.2 Å²	69.2	62%	0.622	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-44.9	175.1	-66.5	-176.1	-178.1	173.8	0	111.5	S323 G328 L329	S323-K325 PolarHBondContact O-N 3.16Å; S323-K325 VanDerWaalsContact O-N 3.1Å; K325-G328 PolarHBondContact O-N 3.28Å; K325-L329 WeakPolarHBondContact O-CB 3.11Å; K325-L329 PolarHBondContact O-N 3.12Å
326	E	86.6	Confident	87.1	Confident	82 Å²	82	73.6 Å²	73.6	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-69.6	-43.5	179.7	-56.5	-53.7	152.6	0	0	111.8	S323 G328 L329 L330	S323-E326 PolarHBondContact O-N 3.28Å; E326-G328 VanDerWaalsContact C-N 3.32Å; E326-L329 PolarHBondContact O-N 3.29Å; E326-L330 PolarHBondContact O-N 3.11Å
327	V	88.1	Confident	87.7	Confident	33 Å²	33	70 Å²	70	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-43.6	173.3	175.7	0	0	0	0	110.2	L320 S323 L329 L330 L331 I407	L320-V327 HydrophobicContact CD2-CG2 3.92Å; S323-V327 WeakPolarHBondContact O-CG2 3.26Å; S323-V327 PolarHBondContact O-N 3.28Å; V327-L329 VanDerWaalsContact C-N 3.34Å; V327-L329 PolarHBondContact O-N 3.49Å; V327-L330 PolarHBondContact O-N 3.17Å; V327-L331 HydrophobicContact CG1-CD1 4.28Å; V327-L331 WeakPolarHBondContact O-CG 3.41Å; V327-L331 PolarHBondContact O-N 3.28Å; V327-I407 HydrophobicContact CG2-CD1 3.74Å; V327-I407 HydrophobicContact CG2-CG1 4.23Å
328	G	90.1	Very high	88.3	Confident	35 Å²	35	68.6 Å²	68.6	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-40.2	175.9	0	0	0	0	0	112.6	Y324 K325 E326 L331 L332	Y324-G328 WeakPolarHBondContact O-CA 3.29Å; Y324-G328 PolarHBondContact O-N 3.32Å; K325-G328 PolarHBondContact O-N 3.28Å; E326-G328 VanDerWaalsContact C-N 3.32Å; G328-L331 PolarHBondContact O-N 3.37Å; G328-L332 WeakPolarHBondContact O-CB 3.3Å; G328-L332 PolarHBondContact O-N 3.03Å
329	L	89.6	Confident	89.4	Confident	62 Å²	62	69.6 Å²	69.6	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-42.1	176.6	-170.5	65.9	0	0	0	111.9	K325 E326 V327 L332 Y333	K325-L329 WeakPolarHBondContact O-CB 3.11Å; K325-L329 PolarHBondContact O-N 3.12Å; E326-L329 PolarHBondContact O-N 3.29Å; V327-L329 VanDerWaalsContact C-N 3.34Å; V327-L329 PolarHBondContact O-N 3.49Å; L329-L332 HydrophobicContact CD1-CD2 4.4Å; L329-L332 WeakPolarHBondContact O-CB 3.47Å; L329-L332 PolarHBondContact O-N 3.08Å; L329-Y333 HydrophobicContact CD1-CD1 4.44Å; L329-Y333 HydrophobicContact CD1-CE1 3.76Å; L329-Y333 HydrophobicContact CD1-CE2 4Å; L329-Y333 HydrophobicContact CD2-CE2 3.88Å; L329-Y333 HydrophobicContact CG-CD2 4.15Å; L329-Y333 HydrophobicContact CG-CE1 4.26Å; L329-Y333 HydrophobicContact CG-CE2 3.58Å; L329-Y333 PolarHBondContact O-N 3.32Å
330	L	90.9	Very high	90.2	Very high	26 Å²	26	75.2 Å²	75.2	14%	0.136	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-49.7	172.8	171.5	62.5	0	0	0	111.2	E326 V327 L332 Y333 L334 P403 I407	E326-L330 PolarHBondContact O-N 3.11Å; V327-L330 PolarHBondContact O-N 3.17Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 3.03Å; L330-Y333 PolarHBondContact O-N 3.03Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 PolarHBondContact O-N 3.08Å; L330-P403 HydrophobicContact CB-CB 3.76Å; L330-P403 HydrophobicContact CB-CG 3.92Å; L330-P403 HydrophobicContact CD1-CB 4.08Å; L330-P403 HydrophobicContact CD1-CG 3.79Å; L330-P403 HydrophobicContact CD2-CB 4.2Å; L330-P403 HydrophobicContact CG-CB 4.21Å; L330-P403 HydrophobicContact CG-CG 4.34Å; L330-I407 HydrophobicContact CD2-CD1 4.37Å
331	L	92.3	Very high	90.8	Very high	108 Å²	108	72.3 Å²	72.3	57%	0.565	36%	0.364	S	S	*	.	H	α-helix	trans	-62.9	-37.9	178.4	-69.8	175.7	0	0	0	111.8	V327 G328 L334 A335	V327-L331 HydrophobicContact CG1-CD1 4.28Å; V327-L331 WeakPolarHBondContact O-CG 3.41Å; V327-L331 PolarHBondContact O-N 3.28Å; G328-L331 PolarHBondContact O-N 3.37Å; L331-L334 PolarHBondContact O-N 3.08Å; L331-A335 VanDerWaalsContact O-CB 3.29Å; L331-A335 WeakPolarHBondContact O-CB 3.39Å; L331-A335 PolarHBondContact O-N 3.19Å
332	L	93.2	Very high	91.5	Very high	99 Å²	99	63.1 Å²	63.1	52%	0.518	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-49.1	175.8	-179.5	66.9	0	0	0	111.6	G328 L329 L330 L334 A335 V336	G328-L332 WeakPolarHBondContact O-CB 3.3Å; G328-L332 PolarHBondContact O-N 3.03Å; L329-L332 HydrophobicContact CD1-CD2 4.4Å; L329-L332 WeakPolarHBondContact O-CB 3.47Å; L329-L332 PolarHBondContact O-N 3.08Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 3.03Å; L332-L334 VanDerWaalsContact C-N 3.32Å; L332-L334 PolarHBondContact O-N 2.96Å; L332-A335 PolarHBondContact O-N 3.42Å; L332-V336 HydrophobicContact CD1-CG2 4.49Å; L332-V336 WeakPolarHBondContact O-CG2 3.04Å; L332-V336 PolarHBondContact O-N 2.81Å
333	Y	93.3	Very high	92.3	Very high	118 Å²	118	62.7 Å²	62.7	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-38.7	178.4	-67.3	-22.9	0	0	0	112.3	L329 L330 G337	L329-Y333 HydrophobicContact CD1-CD1 4.44Å; L329-Y333 HydrophobicContact CD1-CE1 3.76Å; L329-Y333 HydrophobicContact CD1-CE2 4Å; L329-Y333 HydrophobicContact CD2-CE2 3.88Å; L329-Y333 HydrophobicContact CG-CD2 4.15Å; L329-Y333 HydrophobicContact CG-CE1 4.26Å; L329-Y333 HydrophobicContact CG-CE2 3.58Å; L329-Y333 PolarHBondContact O-N 3.32Å; L330-Y333 PolarHBondContact O-N 3.03Å; Y333-G337 PolarHBondContact O-N 2.94Å
334	L	94.1	Very high	92.9	Very high	35 Å²	35	65.6 Å²	65.6	18%	0.183	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-44.9	174.8	-165.7	148.4	0	0	0	111.1	L330 L331 L332 V336 G337 V338 T371 V400	L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 PolarHBondContact O-N 3.08Å; L331-L334 PolarHBondContact O-N 3.08Å; L332-L334 VanDerWaalsContact C-N 3.32Å; L332-L334 PolarHBondContact O-N 2.96Å; L334-V336 PolarHBondContact O-N 3.31Å; L334-G337 PolarHBondContact O-N 3.05Å; L334-V338 HydrophobicContact CD2-CG2 3.79Å; L334-V338 HydrophobicContact CG-CG2 4.45Å; L334-V338 WeakPolarHBondContact O-CB 3.45Å; L334-V338 VanDerWaalsContact O-CG2 3.24Å; L334-V338 WeakPolarHBondContact O-CG2 3.45Å; L334-V338 PolarHBondContact O-N 3.09Å; L334-T371 HydrophobicContact CD1-CG2 4.03Å; L334-V400 HydrophobicContact CD1-CG2 4.42Å
335	A	95.6	Very high	93.4	Very high	49 Å²	49	58.7 Å²	58.7	41%	0.405	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-41.5	177.9	0	0	0	0	0	112.9	L331 L332 S339	L331-A335 VanDerWaalsContact O-CB 3.29Å; L331-A335 WeakPolarHBondContact O-CB 3.39Å; L331-A335 PolarHBondContact O-N 3.19Å; L332-A335 PolarHBondContact O-N 3.42Å; A335-S339 WeakPolarHBondContact O-CB 3.22Å; A335-S339 PolarHBondContact O-N 3.41Å; A335-S339 PolarHBondContact O-OG 3.1Å
336	V	95.9	Very high	93.8	Very high	91 Å²	91	55.5 Å²	55.5	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-64.8	-47.4	175.4	171.2	0	0	0	0	110.7	L332 L334 S339 F340	L332-V336 HydrophobicContact CD1-CG2 4.49Å; L332-V336 WeakPolarHBondContact O-CG2 3.04Å; L332-V336 PolarHBondContact O-N 2.81Å; L334-V336 PolarHBondContact O-N 3.31Å; V336-S339 PolarHBondContact O-N 3.35Å; V336-F340 WeakPolarHBondContact O-CB 3.35Å; V336-F340 PolarHBondContact O-N 3.32Å
337	G	95.8	Very high	94.2	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-46.8	178.8	0	0	0	0	0	112.5	Y333 L334 S339 F340 F341	Y333-G337 PolarHBondContact O-N 2.94Å; L334-G337 PolarHBondContact O-N 3.05Å; G337-S339 PolarHBondContact O-N 3.42Å; G337-F340 PolarHBondContact O-N 2.87Å; G337-F341 VanDerWaalsContact O-CD2 3.23Å; G337-F341 WeakPolarHBondContact O-CD2 3.29Å; G337-F341 PolarHBondContact O-N 2.99Å
338	V	96.8	Very high	94.5	Very high	10 Å²	10	56 Å²	56	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-57.4	-51.4	176	166.3	0	0	0	0	109.5	L334 F340 F341 S342 W363 A366 T367 M370	L334-V338 HydrophobicContact CD2-CG2 3.79Å; L334-V338 HydrophobicContact CG-CG2 4.45Å; L334-V338 WeakPolarHBondContact O-CB 3.45Å; L334-V338 VanDerWaalsContact O-CG2 3.24Å; L334-V338 WeakPolarHBondContact O-CG2 3.45Å; L334-V338 PolarHBondContact O-N 3.09Å; V338-F340 VanDerWaalsContact C-N 3.31Å; V338-F340 PolarHBondContact O-N 3.26Å; V338-F341 PolarHBondContact O-N 2.97Å; V338-S342 WeakPolarHBondContact O-CB 3.38Å; V338-S342 PolarHBondContact O-N 3.48Å; V338-S342 PolarHBondContact O-OG 3.41Å; V338-W363 HydrophobicContact CG1-CB 4.2Å; V338-W363 HydrophobicContact CG1-CG 4.28Å; V338-A366 HydrophobicContact CG1-CB 4.19Å; V338-T367 WeakPolarHBondContact CG1-OG1 3.04Å; V338-T367 WeakPolarHBondContact CG2-OG1 3.34Å; V338-M370 HydrophobicContact CB-SD 4.46Å; V338-M370 HydrophobicContact CG2-SD 3.78Å; V338-M370 PolarHBondContact N-SD 2.95Å
339	S	96.6	Very high	94.6	Very high	53 Å²	53	54.3 Å²	54.3	37%	0.371	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-43.1	-180	-59.2	0	0	0	0	112.4	A335 V336 G337 V343	A335-S339 WeakPolarHBondContact O-CB 3.22Å; A335-S339 PolarHBondContact O-N 3.41Å; A335-S339 PolarHBondContact O-OG 3.1Å; V336-S339 PolarHBondContact O-N 3.35Å; G337-S339 PolarHBondContact O-N 3.42Å; S339-V343 WeakPolarHBondContact O-CG2 3.08Å; S339-V343 PolarHBondContact O-N 2.83Å
340	F	96.9	Very high	94.6	Very high	120 Å²	120	56 Å²	56	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-53.7	179.8	176.9	-100.1	0	0	0	112.4	V336 G337 V338 S342 V343 M344	V336-F340 WeakPolarHBondContact O-CB 3.35Å; V336-F340 PolarHBondContact O-N 3.32Å; G337-F340 PolarHBondContact O-N 2.87Å; V338-F340 VanDerWaalsContact C-N 3.31Å; V338-F340 PolarHBondContact O-N 3.26Å; F340-S342 VanDerWaalsContact C-N 3.31Å; F340-S342 PolarHBondContact O-N 3.41Å; F340-V343 PolarHBondContact O-N 3.07Å; F340-M344 HydrophobicContact CD1-SD 4.12Å; F340-M344 HydrophobicContact CE1-CG 4.37Å; F340-M344 HydrophobicContact CE1-SD 3.35Å; F340-M344 WeakPolarHBondContact CE1-SD 3.35Å; F340-M344 HydrophobicContact CE2-SD 4.35Å; F340-M344 HydrophobicContact CZ-CG 4.35Å; F340-M344 HydrophobicContact CZ-SD 3.49Å; F340-M344 WeakPolarHBondContact CZ-SD 3.39Å; F340-M344 PolarHBondContact O-N 3.3Å; F340-M344 VanDerWaalsContact O-N 3.12Å
341	F	96.6	Very high	94.4	Very high	21 Å²	21	62.2 Å²	62.2	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-29.4	-177.9	-74.4	-66.3	0	0	0	112.7	G337 V338 M344 A345 A366 M370 T388 A391 C392 A395	G337-F341 VanDerWaalsContact O-CD2 3.23Å; G337-F341 WeakPolarHBondContact O-CD2 3.29Å; G337-F341 PolarHBondContact O-N 2.99Å; V338-F341 PolarHBondContact O-N 2.97Å; F341-M344 HydrophobicContact CD1-SD 4.42Å; F341-M344 PolarHBondContact O-N 3.36Å; F341-A345 VanDerWaalsContact O-CB 3.31Å; F341-A345 WeakPolarHBondContact O-CB 3.16Å; F341-A345 PolarHBondContact O-N 2.91Å; F341-A366 HydrophobicContact CB-CB 4.43Å; F341-M370 HydrophobicContact CD2-SD 4.16Å; F341-T388 HydrophobicContact CD1-CG2 4.31Å; F341-A391 HydrophobicContact CE1-CB 4.12Å; F341-C392 HydrophobicContact CB-CB 4.14Å; F341-C392 HydrophobicContact CD1-CB 3.68Å; F341-C392 HydrophobicContact CD2-CB 4.06Å; F341-C392 HydrophobicContact CE1-CB 4.05Å; F341-C392 HydrophobicContact CE2-CB 4.42Å; F341-C392 HydrophobicContact CG-CB 3.69Å; F341-C392 HydrophobicContact CZ-CB 4.41Å; F341-A395 HydrophobicContact CE2-CB 3.63Å; F341-A395 HydrophobicContact CZ-CB 3.72Å
342	S	96.4	Very high	94	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-39.2	173.8	-62.7	0	0	0	0	112.9	V338 F340 Y346 C362 W363 A366	V338-S342 WeakPolarHBondContact O-CB 3.38Å; V338-S342 PolarHBondContact O-N 3.48Å; V338-S342 PolarHBondContact O-OG 3.41Å; F340-S342 VanDerWaalsContact C-N 3.31Å; F340-S342 PolarHBondContact O-N 3.41Å; S342-Y346 VanDerWaalsContact O-CB 3.29Å; S342-Y346 WeakPolarHBondContact O-CB 3.31Å; S342-Y346 PolarHBondContact O-N 2.88Å; S342-C362 WeakPolarHBondContact O-CB 3.06Å; S342-C362 PolarHBondContact OG-O 2.88Å; S342-W363 VanDerWaalsContact OG-CA 3.26Å; S342-W363 WeakPolarHBondContact OG-CA 3.45Å; S342-W363 PolarHBondContact OG-N 3.29Å; S342-A366 WeakPolarHBondContact OG-CB 3.48Å
343	V	96.5	Very high	93.4	Very high	67 Å²	67	58.1 Å²	58.1	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-43.4	174.4	172.4	0	0	0	0	110.3	S339 F340 Y346 T347 I359	S339-V343 WeakPolarHBondContact O-CG2 3.08Å; S339-V343 PolarHBondContact O-N 2.83Å; F340-V343 PolarHBondContact O-N 3.07Å; V343-Y346 PolarHBondContact O-N 3.43Å; V343-T347 HydrophobicContact CG1-CG2 4.42Å; V343-T347 VanDerWaalsContact O-CG2 3.32Å; V343-T347 WeakPolarHBondContact O-CG2 3.47Å; V343-T347 PolarHBondContact O-N 3.31Å; V343-T347 PolarHBondContact O-OG1 3.39Å; V343-I359 HydrophobicContact CG2-CG2 4.47Å
344	M	95.3	Very high	93	Very high	68 Å²	68	61 Å²	61	34%	0.335	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-49.9	175.3	-70.8	-171.6	67.8	0	0	111.9	F340 F341 Y346 T347 V348 T388	F340-M344 HydrophobicContact CD1-SD 4.12Å; F340-M344 HydrophobicContact CE1-CG 4.37Å; F340-M344 HydrophobicContact CE1-SD 3.35Å; F340-M344 WeakPolarHBondContact CE1-SD 3.35Å; F340-M344 HydrophobicContact CE2-SD 4.35Å; F340-M344 HydrophobicContact CZ-CG 4.35Å; F340-M344 HydrophobicContact CZ-SD 3.49Å; F340-M344 WeakPolarHBondContact CZ-SD 3.39Å; F340-M344 PolarHBondContact O-N 3.3Å; F340-M344 VanDerWaalsContact O-N 3.12Å; F341-M344 HydrophobicContact CD1-SD 4.42Å; F341-M344 PolarHBondContact O-N 3.36Å; M344-Y346 VanDerWaalsContact C-N 3.35Å; M344-Y346 PolarHBondContact O-N 3.27Å; M344-T347 PolarHBondContact O-N 2.89Å; M344-T347 PolarHBondContact O-OG1 2.98Å; M344-V348 WeakPolarHBondContact O-CG2 3.23Å; M344-V348 PolarHBondContact O-N 3.01Å; M344-V348 VanDerWaalsContact O-N 3.08Å; M344-T388 HydrophobicContact CB-CG2 3.71Å; M344-T388 HydrophobicContact CE-CG2 4.22Å; M344-T388 HydrophobicContact SD-CG2 4.5Å
345	A	94.6	Very high	92.6	Very high	1 Å²	1	64 Å²	64	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-44.2	178.5	0	0	0	0	0	111.7	F341 T347 V348 E349 W365	F341-A345 VanDerWaalsContact O-CB 3.31Å; F341-A345 WeakPolarHBondContact O-CB 3.16Å; F341-A345 PolarHBondContact O-N 2.91Å; A345-T347 PolarHBondContact O-N 2.91Å; A345-V348 PolarHBondContact O-N 3.29Å; A345-E349 VanDerWaalsContact O-CB 3.27Å; A345-E349 WeakPolarHBondContact O-CB 3.33Å; A345-E349 PolarHBondContact O-N 2.9Å; A345-W365 HydrophobicContact CB-CE3 3.8Å; A345-W365 HydrophobicContact CB-CH2 4.05Å; A345-W365 HydrophobicContact CB-CZ3 3.4Å; A345-W365 VanDerWaalsContact CB-CZ3 3.4Å
346	Y	95.3	Very high	92.3	Very high	76 Å²	76	61.7 Å²	61.7	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-48.9	173.9	170	-106.3	0	0	0	111.6	S342 V343 M344 V348 E349 K350 S357 I359	S342-Y346 VanDerWaalsContact O-CB 3.29Å; S342-Y346 WeakPolarHBondContact O-CB 3.31Å; S342-Y346 PolarHBondContact O-N 2.88Å; V343-Y346 PolarHBondContact O-N 3.43Å; M344-Y346 VanDerWaalsContact C-N 3.35Å; M344-Y346 PolarHBondContact O-N 3.27Å; Y346-V348 PolarHBondContact O-N 3.48Å; Y346-E349 PolarHBondContact O-N 3.47Å; Y346-K350 HydrophobicContact CD2-CB 4.01Å; Y346-K350 HydrophobicContact CE2-CB 3.78Å; Y346-K350 WeakPolarHBondContact O-CB 3.34Å; Y346-K350 WeakPolarHBondContact O-CG 3.38Å; Y346-K350 PolarHBondContact O-N 3.38Å; Y346-S357 VanDerWaalsContact CE2-O 3.25Å; Y346-S357 WeakPolarHBondContact CE2-O 3.35Å; Y346-I359 HydrophobicContact CD1-CD1 4.43Å; Y346-I359 HydrophobicContact CD1-CG1 3.97Å; Y346-I359 HydrophobicContact CD2-CG1 4.43Å; Y346-I359 HydrophobicContact CE1-CG1 4.43Å; Y346-I359 HydrophobicContact CG-CG1 3.96Å
347	T	93.9	Very high	92	Very high	83 Å²	83	60.1 Å²	60.1	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-31.2	-177.6	54.4	0	0	0	0	113.4	V343 M344 A345	V343-T347 HydrophobicContact CG1-CG2 4.42Å; V343-T347 VanDerWaalsContact O-CG2 3.32Å; V343-T347 WeakPolarHBondContact O-CG2 3.47Å; V343-T347 PolarHBondContact O-N 3.31Å; V343-T347 PolarHBondContact O-OG1 3.39Å; M344-T347 PolarHBondContact O-N 2.89Å; M344-T347 PolarHBondContact O-OG1 2.98Å; A345-T347 PolarHBondContact O-N 2.91Å
348	V	94.1	Very high	91.8	Very high	42 Å²	42	62.8 Å²	62.8	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-87.8	-39	-177.4	174	0	0	0	0	112	M344 A345 Y346 S382 P384	M344-V348 WeakPolarHBondContact O-CG2 3.23Å; M344-V348 PolarHBondContact O-N 3.01Å; M344-V348 VanDerWaalsContact O-N 3.08Å; A345-V348 PolarHBondContact O-N 3.29Å; Y346-V348 PolarHBondContact O-N 3.48Å; V348-S382 WeakPolarHBondContact CG1-OG 3.35Å; V348-P384 HydrophobicContact CG1-CB 3.69Å; V348-P384 HydrophobicContact CG1-CG 3.56Å
349	E	92.3	Very high	91.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-104.6	-7.4	-169.2	-64.1	-77.1	150.1	0	0	114	A345 Y346 E351 D352 S353 L356 P380 V381 S382 G385	A345-E349 VanDerWaalsContact O-CB 3.27Å; A345-E349 WeakPolarHBondContact O-CB 3.33Å; A345-E349 PolarHBondContact O-N 2.9Å; Y346-E349 PolarHBondContact O-N 3.47Å; E349-E351 PolarHBondContact O-N 3.31Å; E349-D352 PolarHBondContact O-N 3.36Å; E349-S353 PolarHBondContact O-N 3.43Å; E349-L356 HydrophobicContact CB-CB 3.92Å; E349-L356 HydrophobicContact CB-CD1 3.8Å; E349-L356 HydrophobicContact CG-CD1 3.8Å; E349-P380 HydrophobicContact CG-CB 3.83Å; E349-P380 WeakPolarHBondContact OE1-CB 3.16Å; E349-V381 PolarHBondContact OE1-N 2.88Å; E349-V381 PolarHBondContact OE2-N 3.27Å; E349-S382 WeakPolarHBondContact OE1-CA 3.45Å; E349-S382 WeakPolarHBondContact OE1-CB 3.22Å; E349-S382 PolarHBondContact OE1-N 2.93Å; E349-S382 PolarHBondContact OE1-OG 3.38Å; E349-S382 PolarHBondContact OE2-N 3.06Å; E349-G385 VanDerWaalsContact OE1-CA 3.29Å; E349-G385 WeakPolarHBondContact OE1-CA 3.46Å
350	K	89.6	Confident	91.6	Very high	97 Å²	97	66.9 Å²	66.9	42%	0.422	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.1	-177	66.9	177.6	-172.7	160.1	0	114.4	Y346	Y346-K350 HydrophobicContact CD2-CB 4.01Å; Y346-K350 HydrophobicContact CE2-CB 3.78Å; Y346-K350 WeakPolarHBondContact O-CB 3.34Å; Y346-K350 WeakPolarHBondContact O-CG 3.38Å; Y346-K350 PolarHBondContact O-N 3.38Å
351	E	87	Confident	91.4	Very high	157 Å²	157	62.6 Å²	62.6	73%	0.734	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-21	-178.8	-52.8	-172.3	179.3	0	0	112	E349	E349-E351 PolarHBondContact O-N 3.31Å
352	D	83.7	Confident	91.4	Very high	107 Å²	107	61.6 Å²	61.6	57%	0.572	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-18.3	-172.6	-70.8	-30.7	0	0	0	113.2	E349 S382	E349-D352 PolarHBondContact O-N 3.36Å; D352-S382 WeakPolarHBondContact OD2-CB 3.32Å
353	S	81.9	Confident	91.3	Very high	14 Å²	14	67.6 Å²	67.6	10%	0.098	35%	0.353	C	S	.	.			trans	-140.1	126.8	-177.9	178.4	0	0	0	0	112.4	E349 D355	E349-S353 PolarHBondContact O-N 3.43Å; S353-D355 VanDerWaalsContact C-N 3.32Å; S353-D355 PolarHBondContact OG-N 2.94Å
354	E	83.9	Confident	91.3	Very high	178 Å²	178	70 Å²	70	83%	0.832	36%	0.355	S	S	*	.	S	Bend	trans	-70.4	-29.4	174	-66.7	-171.4	173.2	0	0	112	L356 S357	E354-L356 VanDerWaalsContact C-N 3.33Å; E354-L356 PolarHBondContact O-N 3.32Å; E354-S357 WeakPolarHBondContact O-CB 3.47Å; E354-S357 PolarHBondContact O-N 2.96Å; E354-S357 PolarHBondContact O-OG 2.92Å
355	D	86.7	Confident	91.3	Very high	99 Å²	99	67.3 Å²	67.3	53%	0.529	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.5	-178.5	-60.9	-41.5	0	0	0	112.7	S353 A361 V378	S353-D355 VanDerWaalsContact C-N 3.32Å; S353-D355 PolarHBondContact OG-N 2.94Å; D355-A361 WeakPolarHBondContact O-CB 3.43Å; D355-V378 HydrophobicContact CB-CG1 3.87Å; D355-V378 HydrophobicContact CB-CG2 4.23Å
356	L	88.9	Confident	91.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	23	176.7	-66	173	0	0	0	112.6	E349 E354 T358 C362 W365 V378 P380	E349-L356 HydrophobicContact CB-CB 3.92Å; E349-L356 HydrophobicContact CB-CD1 3.8Å; E349-L356 HydrophobicContact CG-CD1 3.8Å; E354-L356 VanDerWaalsContact C-N 3.33Å; E354-L356 PolarHBondContact O-N 3.32Å; L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 3.08Å; L356-C362 HydrophobicContact CD2-CB 4.4Å; L356-W365 HydrophobicContact CD2-CB 3.97Å; L356-W365 HydrophobicContact CD2-CG 4.14Å; L356-V378 HydrophobicContact CD1-CG1 4.39Å; L356-V378 HydrophobicContact CD2-CG1 3.5Å; L356-V378 VanDerWaalsContact CD2-CG1 3.5Å; L356-V378 HydrophobicContact CG-CG1 3.7Å; L356-P380 HydrophobicContact CD1-CB 4.24Å
357	S	88.4	Confident	91.5	Very high	58 Å²	58	66.1 Å²	66.1	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-77.2	-9.2	-176.8	62	0	0	0	0	114.9	Y346 E354	Y346-S357 VanDerWaalsContact CE2-O 3.25Å; Y346-S357 WeakPolarHBondContact CE2-O 3.35Å; E354-S357 WeakPolarHBondContact O-CB 3.47Å; E354-S357 PolarHBondContact O-N 2.96Å; E354-S357 PolarHBondContact O-OG 2.92Å
358	T	93.5	Very high	91.6	Very high	68 Å²	68	62.6 Å²	62.6	42%	0.417	32%	0.32	S	S	.	.	S	Bend	trans	-134.8	145	178.1	68.7	0	0	0	0	111.8	L356 A361 C362	L356-T358 VanDerWaalsContact C-N 3.31Å; L356-T358 PolarHBondContact O-N 3.08Å; T358-A361 WeakPolarHBondContact O-CB 3.42Å; T358-A361 PolarHBondContact O-N 3.5Å; T358-A361 VanDerWaalsContact O-N 3.1Å; T358-A361 VanDerWaalsContact OG1-CB 3.31Å; T358-A361 WeakPolarHBondContact OG1-CB 3.45Å; T358-A361 PolarHBondContact OG1-N 3.45Å; T358-C362 PolarHBondContact O-N 3.47Å; T358-C362 PolarHBondContact O-SG 2.9Å; T358-C362 VanDerWaalsContact O-SG 3.4Å
359	I	94.4	Very high	91.7	Very high	65 Å²	65	61.3 Å²	61.3	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-57.1	-42.6	179.6	-60	173.7	0	0	0	112.2	V343 Y346 A361 C362 W363	V343-I359 HydrophobicContact CG2-CG2 4.47Å; Y346-I359 HydrophobicContact CD1-CD1 4.43Å; Y346-I359 HydrophobicContact CD1-CG1 3.97Å; Y346-I359 HydrophobicContact CD2-CG1 4.43Å; Y346-I359 HydrophobicContact CE1-CG1 4.43Å; Y346-I359 HydrophobicContact CG-CG1 3.96Å; I359-A361 VanDerWaalsContact C-N 3.35Å; I359-A361 PolarHBondContact O-N 3.25Å; I359-C362 CarbonylContact O-C 3.54Å; I359-C362 WeakPolarHBondContact O-CA 3.18Å; I359-C362 WeakPolarHBondContact O-CB 3.5Å; I359-C362 PolarHBondContact O-N 3.5Å; I359-C362 VanDerWaalsContact O-N 3.15Å; I359-W363 PolarHBondContact O-N 3.46Å
360	P	94.4	Very high	91.8	Very high	83 Å²	83	61.4 Å²	61.4	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-34.2	175.6	-24.5	36.5	0	0	0	114.1	C362 W363 W364	P360-C362 VanDerWaalsContact C-N 3.32Å; P360-W363 HydrophobicContact CB-CE3 4.47Å; P360-W363 WeakPolarHBondContact O-CB 3.48Å; P360-W363 PolarHBondContact O-N 3.27Å; P360-W364 PolarHBondContact O-N 3.08Å
361	A	92.6	Very high	92	Very high	30 Å²	30	59.2 Å²	59.2	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-40	172.2	0	0	0	0	0	110.8	D355 T358 I359 W363 W364 W365	D355-A361 WeakPolarHBondContact O-CB 3.43Å; T358-A361 WeakPolarHBondContact O-CB 3.42Å; T358-A361 PolarHBondContact O-N 3.5Å; T358-A361 VanDerWaalsContact O-N 3.1Å; T358-A361 VanDerWaalsContact OG1-CB 3.31Å; T358-A361 WeakPolarHBondContact OG1-CB 3.45Å; T358-A361 PolarHBondContact OG1-N 3.45Å; I359-A361 VanDerWaalsContact C-N 3.35Å; I359-A361 PolarHBondContact O-N 3.25Å; A361-W363 VanDerWaalsContact C-N 3.27Å; A361-W363 PolarHBondContact O-N 2.85Å; A361-W364 WeakPolarHBondContact O-CB 3.15Å; A361-W364 PolarHBondContact O-N 3Å; A361-W365 PolarHBondContact O-N 3.46Å
362	C	95.2	Very high	92.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-26.2	172.4	-61.5	0	0	0	0	113.2	S342 L356 T358 I359 P360 A366	S342-C362 WeakPolarHBondContact O-CB 3.06Å; S342-C362 PolarHBondContact OG-O 2.88Å; L356-C362 HydrophobicContact CD2-CB 4.4Å; T358-C362 PolarHBondContact O-N 3.47Å; T358-C362 PolarHBondContact O-SG 2.9Å; T358-C362 VanDerWaalsContact O-SG 3.4Å; I359-C362 CarbonylContact O-C 3.54Å; I359-C362 WeakPolarHBondContact O-CA 3.18Å; I359-C362 WeakPolarHBondContact O-CB 3.5Å; I359-C362 PolarHBondContact O-N 3.5Å; I359-C362 VanDerWaalsContact O-N 3.15Å; P360-C362 VanDerWaalsContact C-N 3.32Å; C362-A366 VanDerWaalsContact O-CB 3.3Å; C362-A366 WeakPolarHBondContact O-CB 3.48Å; C362-A366 PolarHBondContact O-N 3.46Å
363	W	96	Very high	92.9	Very high	126 Å²	126	54.7 Å²	54.7	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-64.7	-41.9	173.6	-74	-16.6	0	0	0	112	V338 S342 I359 P360 A361 A366 T367	V338-W363 HydrophobicContact CG1-CB 4.2Å; V338-W363 HydrophobicContact CG1-CG 4.28Å; S342-W363 VanDerWaalsContact OG-CA 3.26Å; S342-W363 WeakPolarHBondContact OG-CA 3.45Å; S342-W363 PolarHBondContact OG-N 3.29Å; I359-W363 PolarHBondContact O-N 3.46Å; P360-W363 HydrophobicContact CB-CE3 4.47Å; P360-W363 WeakPolarHBondContact O-CB 3.48Å; P360-W363 PolarHBondContact O-N 3.27Å; A361-W363 VanDerWaalsContact C-N 3.27Å; A361-W363 PolarHBondContact O-N 2.85Å; W363-A366 PolarHBondContact O-N 3.26Å; W363-T367 VanDerWaalsContact O-CB 3.27Å; W363-T367 WeakPolarHBondContact O-CB 3.29Å; W363-T367 PolarHBondContact O-N 2.68Å; W363-T367 PolarHBondContact O-OG1 3.5Å
364	W	95.9	Very high	93.5	Very high	119 Å²	119	56.6 Å²	56.6	45%	0.451	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-53.4	174	171.4	-111.9	0	0	0	110.6	P360 A361 A366 T367 V368 Y375 D377	P360-W364 PolarHBondContact O-N 3.08Å; A361-W364 WeakPolarHBondContact O-CB 3.15Å; A361-W364 PolarHBondContact O-N 3Å; W364-A366 PolarHBondContact O-N 3.37Å; W364-T367 PolarHBondContact O-N 3.05Å; W364-V368 HydrophobicContact CD2-CG2 3.98Å; W364-V368 HydrophobicContact CE3-CG2 4.13Å; W364-V368 HydrophobicContact CH2-CG2 4.02Å; W364-V368 HydrophobicContact CZ2-CG2 3.85Å; W364-V368 HydrophobicContact CZ3-CG2 4.15Å; W364-V368 WeakPolarHBondContact O-CG2 3.48Å; W364-V368 PolarHBondContact O-N 2.85Å; W364-Y375 HydrophobicContact CH2-CD2 4.04Å; W364-Y375 AromaticContact CH2-CE2 3.62Å; W364-Y375 HydrophobicContact CH2-CE2 3.62Å; W364-Y375 AromaticContact CZ2-CD2 3.59Å; W364-Y375 HydrophobicContact CZ2-CD2 3.59Å; W364-Y375 AromaticContact CZ2-CE2 3.68Å; W364-Y375 HydrophobicContact CZ2-CE2 3.68Å; W364-D377 PolarHBondContact NE1-OD2 2.87Å
365	W	96.1	Very high	94	Very high	10 Å²	10	55.4 Å²	55.4	4%	0.038	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-47.6	177.9	168.7	75.3	0	0	0	112.8	A345 L356 A361 V368 S369 V378 P380 A389 C392	A345-W365 HydrophobicContact CB-CE3 3.8Å; A345-W365 HydrophobicContact CB-CH2 4.05Å; A345-W365 HydrophobicContact CB-CZ3 3.4Å; A345-W365 VanDerWaalsContact CB-CZ3 3.4Å; L356-W365 HydrophobicContact CD2-CB 3.97Å; L356-W365 HydrophobicContact CD2-CG 4.14Å; A361-W365 PolarHBondContact O-N 3.46Å; W365-V368 PolarHBondContact O-N 3.36Å; W365-S369 PolarHBondContact NE1-OG 3.49Å; W365-S369 VanDerWaalsContact O-CB 3.28Å; W365-S369 WeakPolarHBondContact O-CB 3.32Å; W365-S369 PolarHBondContact O-N 3.38Å; W365-S369 PolarHBondContact O-OG 3.28Å; W365-V378 HydrophobicContact CB-CG1 4.32Å; W365-P380 HydrophobicContact CZ2-CG 3.97Å; W365-A389 HydrophobicContact CH2-CB 4.27Å; W365-A389 HydrophobicContact CZ2-CB 3.7Å; W365-C392 HydrophobicContact CH2-CB 4.32Å
366	A	96.4	Very high	94.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-36.8	-177.8	0	0	0	0	0	111.7	V338 F341 S342 C362 W363 W364 S369 M370	V338-A366 HydrophobicContact CG1-CB 4.19Å; F341-A366 HydrophobicContact CB-CB 4.43Å; S342-A366 WeakPolarHBondContact OG-CB 3.48Å; C362-A366 VanDerWaalsContact O-CB 3.3Å; C362-A366 WeakPolarHBondContact O-CB 3.48Å; C362-A366 PolarHBondContact O-N 3.46Å; W363-A366 PolarHBondContact O-N 3.26Å; W364-A366 PolarHBondContact O-N 3.37Å; A366-S369 PolarHBondContact O-N 2.88Å; A366-M370 VanDerWaalsContact O-CB 3.27Å; A366-M370 WeakPolarHBondContact O-CB 3.44Å; A366-M370 VanDerWaalsContact O-CG 3.29Å; A366-M370 WeakPolarHBondContact O-CG 3.25Å; A366-M370 PolarHBondContact O-N 3.41Å
367	T	96.1	Very high	94.5	Very high	52 Å²	52	57.3 Å²	57.3	32%	0.319	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-47.9	176	-63.3	0	0	0	0	110.9	V338 W363 W364 S369 T371	V338-T367 WeakPolarHBondContact CG1-OG1 3.04Å; V338-T367 WeakPolarHBondContact CG2-OG1 3.34Å; W363-T367 VanDerWaalsContact O-CB 3.27Å; W363-T367 WeakPolarHBondContact O-CB 3.29Å; W363-T367 PolarHBondContact O-N 2.68Å; W363-T367 PolarHBondContact O-OG1 3.5Å; W364-T367 PolarHBondContact O-N 3.05Å; T367-S369 VanDerWaalsContact C-N 3.3Å; T367-S369 PolarHBondContact O-N 3.22Å; T367-T371 WeakPolarHBondContact O-CB 3.38Å; T367-T371 WeakPolarHBondContact O-CG2 3.49Å; T367-T371 PolarHBondContact O-N 3.49Å; T367-T371 PolarHBondContact O-OG1 3.49Å
368	V	96.3	Very high	94.6	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-35.6	178.3	171.1	0	0	0	0	111.6	W364 W365 T371 T372 V373 G374 Y375	W364-V368 HydrophobicContact CD2-CG2 3.98Å; W364-V368 HydrophobicContact CE3-CG2 4.13Å; W364-V368 HydrophobicContact CH2-CG2 4.02Å; W364-V368 HydrophobicContact CZ2-CG2 3.85Å; W364-V368 HydrophobicContact CZ3-CG2 4.15Å; W364-V368 WeakPolarHBondContact O-CG2 3.48Å; W364-V368 PolarHBondContact O-N 2.85Å; W365-V368 PolarHBondContact O-N 3.36Å; V368-T371 PolarHBondContact O-OG1 3.28Å; V368-T372 PolarHBondContact O-N 3.35Å; V368-V373 HydrophobicContact CG1-CB 4.14Å; V368-V373 HydrophobicContact CG1-CG1 4.34Å; V368-V373 PolarHBondContact O-N 3.5Å; V368-G374 VanDerWaalsContact CG1-N 3.27Å; V368-G374 PolarHBondContact O-N 2.95Å; V368-Y375 HydrophobicContact CB-CD2 4.45Å; V368-Y375 HydrophobicContact CG1-CD2 3.75Å; V368-Y375 HydrophobicContact CG1-CE2 4.46Å; V368-Y375 HydrophobicContact CG1-CG 4.33Å; V368-Y375 HydrophobicContact CG2-CD2 3.75Å; V368-Y375 HydrophobicContact CG2-CE2 3.98Å
369	S	95.7	Very high	94.6	Very high	16 Å²	16	56.3 Å²	56.3	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-75.4	-46.5	178.4	-60.9	0	0	0	0	112.8	W365 A366 T367 T371 T372	W365-S369 PolarHBondContact NE1-OG 3.49Å; W365-S369 VanDerWaalsContact O-CB 3.28Å; W365-S369 WeakPolarHBondContact O-CB 3.32Å; W365-S369 PolarHBondContact O-N 3.38Å; W365-S369 PolarHBondContact O-OG 3.28Å; A366-S369 PolarHBondContact O-N 2.88Å; T367-S369 VanDerWaalsContact C-N 3.3Å; T367-S369 PolarHBondContact O-N 3.22Å; S369-T371 VanDerWaalsContact C-N 3.32Å; S369-T371 PolarHBondContact O-N 3.45Å; S369-T372 PolarHBondContact O-N 2.92Å; S369-T372 VanDerWaalsContact O-N 3.09Å
370	M	94.8	Very high	94.5	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-33.7	179.4	-75.5	-170.5	70.7	0	0	112.7	V338 F341 A366 T372 C392 G396	V338-M370 HydrophobicContact CB-SD 4.46Å; V338-M370 HydrophobicContact CG2-SD 3.78Å; V338-M370 PolarHBondContact N-SD 2.95Å; F341-M370 HydrophobicContact CD2-SD 4.16Å; A366-M370 VanDerWaalsContact O-CB 3.27Å; A366-M370 WeakPolarHBondContact O-CB 3.44Å; A366-M370 VanDerWaalsContact O-CG 3.29Å; A366-M370 WeakPolarHBondContact O-CG 3.25Å; A366-M370 PolarHBondContact O-N 3.41Å; M370-T372 PolarHBondContact O-N 2.87Å; M370-C392 WeakPolarHBondContact CG-SG 3.41Å; M370-G396 CarbonylContact O-C 3.57Å; M370-G396 WeakPolarHBondContact O-CA 3.36Å
371	T	94.1	Very high	94.4	Very high	50 Å²	50	53.9 Å²	53.9	31%	0.307	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1	174.8	56.7	0	0	0	0	113	L334 T367 V368 S369 V373	L334-T371 HydrophobicContact CD1-CG2 4.03Å; T367-T371 WeakPolarHBondContact O-CB 3.38Å; T367-T371 WeakPolarHBondContact O-CG2 3.49Å; T367-T371 PolarHBondContact O-N 3.49Å; T367-T371 PolarHBondContact O-OG1 3.49Å; V368-T371 PolarHBondContact O-OG1 3.28Å; S369-T371 VanDerWaalsContact C-N 3.32Å; S369-T371 PolarHBondContact O-N 3.45Å; T371-V373 PolarHBondContact O-N 3.43Å; T371-V373 WeakPolarHBondContact OG1-CG2 3.48Å
372	T	94.5	Very high	94.5	Very high	92 Å²	92	53.2 Å²	53.2	56%	0.564	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	21	-179.7	68.4	0	0	0	0	114.7	V368 S369 M370 I397	V368-T372 PolarHBondContact O-N 3.35Å; S369-T372 PolarHBondContact O-N 2.92Å; S369-T372 VanDerWaalsContact O-N 3.09Å; M370-T372 PolarHBondContact O-N 2.87Å; T372-I397 HydrophobicContact CG2-CD1 4.35Å; T372-I397 HydrophobicContact CG2-CG1 3.71Å
373	V	95.8	Very high	94.4	Very high	78 Å²	78	59.6 Å²	59.6	47%	0.473	33%	0.333	S	S	.	.			trans	-72.5	-50	176.8	174	0	0	0	0	110.8	V368 T371 Y375	V368-V373 HydrophobicContact CG1-CB 4.14Å; V368-V373 HydrophobicContact CG1-CG1 4.34Å; V368-V373 PolarHBondContact O-N 3.5Å; T371-V373 PolarHBondContact O-N 3.43Å; T371-V373 WeakPolarHBondContact OG1-CG2 3.48Å; V373-Y375 HydrophobicContact CG1-CD1 4.11Å; V373-Y375 HydrophobicContact CG1-CD2 4.06Å; V373-Y375 HydrophobicContact CG1-CE1 3.79Å; V373-Y375 HydrophobicContact CG1-CE2 3.72Å; V373-Y375 HydrophobicContact CG1-CG 4.23Å
374	G	94.3	Very high	94.3	Very high	53 Å²	53	56.8 Å²	56.8	55%	0.546	33%	0.331	S	S	.	.			trans	57.8	57.7	172.1	0	0	0	0	0	115.8	V368 G376	V368-G374 VanDerWaalsContact CG1-N 3.27Å; V368-G374 PolarHBondContact O-N 2.95Å; G374-G376 PolarHBondContact O-N 2.89Å; G374-G376 VanDerWaalsContact O-N 3.16Å
375	Y	94.3	Very high	94.2	Very high	154 Å²	154	51.2 Å²	51.2	60%	0.604	31%	0.31	S	S	*	.			trans	-55.9	-30.6	177.4	-69.4	-59.4	0	0	0	113.9	W364 V368 V373 D377	W364-Y375 HydrophobicContact CH2-CD2 4.04Å; W364-Y375 AromaticContact CH2-CE2 3.62Å; W364-Y375 HydrophobicContact CH2-CE2 3.62Å; W364-Y375 AromaticContact CZ2-CD2 3.59Å; W364-Y375 HydrophobicContact CZ2-CD2 3.59Å; W364-Y375 AromaticContact CZ2-CE2 3.68Å; W364-Y375 HydrophobicContact CZ2-CE2 3.68Å; V368-Y375 HydrophobicContact CB-CD2 4.45Å; V368-Y375 HydrophobicContact CG1-CD2 3.75Å; V368-Y375 HydrophobicContact CG1-CE2 4.46Å; V368-Y375 HydrophobicContact CG1-CG 4.33Å; V368-Y375 HydrophobicContact CG2-CD2 3.75Å; V368-Y375 HydrophobicContact CG2-CE2 3.98Å; V373-Y375 HydrophobicContact CG1-CD1 4.11Å; V373-Y375 HydrophobicContact CG1-CD2 4.06Å; V373-Y375 HydrophobicContact CG1-CE1 3.79Å; V373-Y375 HydrophobicContact CG1-CE2 3.72Å; V373-Y375 HydrophobicContact CG1-CG 4.23Å; Y375-D377 VanDerWaalsContact C-N 3.28Å; Y375-D377 WeakPolarHBondContact CB-OD1 3.15Å; Y375-D377 PolarHBondContact O-N 2.79Å
376	G	92.5	Very high	94.1	Very high	54 Å²	54	56 Å²	56	56%	0.557	33%	0.331	S	S	*	.	S	Bend	trans	77.9	11.8	179.3	0	0	0	0	0	114.2	G374	G374-G376 PolarHBondContact O-N 2.89Å; G374-G376 VanDerWaalsContact O-N 3.16Å
377	D	92.8	Very high	94	Very high	85 Å²	85	61.7 Å²	61.7	46%	0.455	36%	0.361	S	S	.	.	S	Bend	trans	-72.2	-35.1	174.2	59.4	-34.4	0	0	0	112.4	W364 Y375	W364-D377 PolarHBondContact NE1-OD2 2.87Å; Y375-D377 VanDerWaalsContact C-N 3.28Å; Y375-D377 WeakPolarHBondContact CB-OD1 3.15Å; Y375-D377 PolarHBondContact O-N 2.79Å
378	V	91.9	Very high	94	Very high	22 Å²	22	59.7 Å²	59.7	13%	0.133	35%	0.349	C	S	.	.	S	Bend	trans	-129.3	129	174.2	-175.8	0	0	0	0	109.2	D355 L356 W365	D355-V378 HydrophobicContact CB-CG1 3.87Å; D355-V378 HydrophobicContact CB-CG2 4.23Å; L356-V378 HydrophobicContact CD1-CG1 4.39Å; L356-V378 HydrophobicContact CD2-CG1 3.5Å; L356-V378 VanDerWaalsContact CD2-CG1 3.5Å; L356-V378 HydrophobicContact CG-CG1 3.7Å; W365-V378 HydrophobicContact CB-CG1 4.32Å
379	V	92.9	Very high	93.9	Very high	82 Å²	82	59.9 Å²	59.9	50%	0.497	35%	0.351	S	S	.	.			trans	-143.9	142.9	179.1	-65	0	0	0	0	111.6
380	P	92.9	Very high	94	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.071	37%	0.371	C	S	.	.			trans	-71.1	135.6	173.4	25.5	-29	0	0	0	110.7	E349 L356 W365 A389	E349-P380 HydrophobicContact CG-CB 3.83Å; E349-P380 WeakPolarHBondContact OE1-CB 3.16Å; L356-P380 HydrophobicContact CD1-CB 4.24Å; W365-P380 HydrophobicContact CZ2-CG 3.97Å; P380-A389 HydrophobicContact CG-CB 3.76Å
381	V	91.8	Very high	94	Very high	87 Å²	87	64.9 Å²	64.9	53%	0.527	39%	0.389	S	S	.	.			trans	-99.1	-35.3	-174.2	-170.7	0	0	0	0	110.5	E349 K386	E349-V381 PolarHBondContact OE1-N 2.88Å; E349-V381 PolarHBondContact OE2-N 3.27Å; V381-K386 WeakPolarHBondContact O-CE 3.41Å; V381-K386 PolarHBondContact O-NZ 3.42Å; V381-K386 VanDerWaalsContact O-NZ 3.11Å
382	S	93.6	Very high	94.1	Very high	15 Å²	15	62.5 Å²	62.5	11%	0.105	38%	0.375	C	S	.	.	S	Bend	trans	-68	155.4	-177.4	85	0	0	0	0	111.9	V348 E349 D352 P384 G385 K386	V348-S382 WeakPolarHBondContact CG1-OG 3.35Å; E349-S382 WeakPolarHBondContact OE1-CA 3.45Å; E349-S382 WeakPolarHBondContact OE1-CB 3.22Å; E349-S382 PolarHBondContact OE1-N 2.93Å; E349-S382 PolarHBondContact OE1-OG 3.38Å; E349-S382 PolarHBondContact OE2-N 3.06Å; D352-S382 WeakPolarHBondContact OD2-CB 3.32Å; S382-P384 WeakPolarHBondContact OG-CD 3.47Å; S382-P384 WeakPolarHBondContact OG-CG 3.45Å; S382-G385 PolarHBondContact O-N 2.77Å; S382-G385 PolarHBondContact OG-N 3.32Å; S382-K386 WeakPolarHBondContact O-CG 3.42Å; S382-K386 PolarHBondContact O-N 3.46Å
383	I	93.2	Very high	94.2	Very high	134 Å²	134	61.6 Å²	61.6	69%	0.687	37%	0.365	S	S	*	.	H	α-helix	trans	-58.6	-50.9	173.5	-59.7	172.4	0	0	0	111.6	G385 K386 L387	I383-G385 VanDerWaalsContact C-N 3.28Å; I383-G385 PolarHBondContact O-N 2.92Å; I383-K386 PolarHBondContact O-N 3.08Å; I383-L387 PolarHBondContact O-N 3.19Å; I383-L387 VanDerWaalsContact O-N 3.09Å
384	P	93.9	Very high	94.2	Very high	68 Å²	68	63.2 Å²	63.2	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-30.8	176.9	22.5	-32.3	0	0	0	113.4	V348 S382 L387 T388	V348-P384 HydrophobicContact CG1-CB 3.69Å; V348-P384 HydrophobicContact CG1-CG 3.56Å; S382-P384 WeakPolarHBondContact OG-CD 3.47Å; S382-P384 WeakPolarHBondContact OG-CG 3.45Å; P384-L387 PolarHBondContact O-N 3.4Å; P384-T388 WeakPolarHBondContact O-CB 3.42Å; P384-T388 PolarHBondContact O-N 2.91Å; P384-T388 PolarHBondContact O-OG1 3.15Å
385	G	93.7	Very high	94.2	Very high	1 Å²	1	62 Å²	62	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-70.1	-38.5	175.2	0	0	0	0	0	112.3	E349 S382 I383 L387 T388 A389	E349-G385 VanDerWaalsContact OE1-CA 3.29Å; E349-G385 WeakPolarHBondContact OE1-CA 3.46Å; S382-G385 PolarHBondContact O-N 2.77Å; S382-G385 PolarHBondContact OG-N 3.32Å; I383-G385 VanDerWaalsContact C-N 3.28Å; I383-G385 PolarHBondContact O-N 2.92Å; G385-L387 VanDerWaalsContact C-N 3.33Å; G385-L387 PolarHBondContact O-N 3.48Å; G385-T388 CarbonylContact O-C 3.57Å; G385-T388 WeakPolarHBondContact O-CB 3.21Å; G385-T388 PolarHBondContact O-N 3.5Å; G385-A389 WeakPolarHBondContact O-CB 3.24Å; G385-A389 PolarHBondContact O-N 3.27Å
386	K	94.6	Very high	94.2	Very high	112 Å²	112	54.7 Å²	54.7	49%	0.487	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-36.5	172	-72.5	169.7	-177.1	165.2	0	112.7	V381 S382 I383 A389 S390	V381-K386 WeakPolarHBondContact O-CE 3.41Å; V381-K386 PolarHBondContact O-NZ 3.42Å; V381-K386 VanDerWaalsContact O-NZ 3.11Å; S382-K386 WeakPolarHBondContact O-CG 3.42Å; S382-K386 PolarHBondContact O-N 3.46Å; I383-K386 PolarHBondContact O-N 3.08Å; K386-A389 PolarHBondContact O-N 2.63Å; K386-S390 WeakPolarHBondContact O-CB 3.35Å; K386-S390 PolarHBondContact O-N 2.83Å; K386-S390 PolarHBondContact O-OG 3.02Å
387	L	95.8	Very high	94.3	Very high	118 Å²	118	55.9 Å²	55.9	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-43.8	171.9	-69.7	174.8	0	0	0	111.3	I383 P384 G385 A389 S390 A391	I383-L387 PolarHBondContact O-N 3.19Å; I383-L387 VanDerWaalsContact O-N 3.09Å; P384-L387 PolarHBondContact O-N 3.4Å; G385-L387 VanDerWaalsContact C-N 3.33Å; G385-L387 PolarHBondContact O-N 3.48Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A389 PolarHBondContact O-N 2.83Å; L387-S390 PolarHBondContact O-N 3.33Å; L387-A391 PolarHBondContact O-N 3.47Å
388	T	95.1	Very high	94.2	Very high	11 Å²	11	57 Å²	57	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-42.3	175.2	-57.1	0	0	0	0	111.4	F341 M344 P384 G385 A391 C392	F341-T388 HydrophobicContact CD1-CG2 4.31Å; M344-T388 HydrophobicContact CB-CG2 3.71Å; M344-T388 HydrophobicContact CE-CG2 4.22Å; M344-T388 HydrophobicContact SD-CG2 4.5Å; P384-T388 WeakPolarHBondContact O-CB 3.42Å; P384-T388 PolarHBondContact O-N 2.91Å; P384-T388 PolarHBondContact O-OG1 3.15Å; G385-T388 CarbonylContact O-C 3.57Å; G385-T388 WeakPolarHBondContact O-CB 3.21Å; G385-T388 PolarHBondContact O-N 3.5Å; T388-A391 PolarHBondContact O-N 3.15Å; T388-C392 VanDerWaalsContact O-CB 3.28Å; T388-C392 WeakPolarHBondContact O-CB 3.29Å; T388-C392 PolarHBondContact O-N 3.36Å
389	A	95.1	Very high	94.2	Very high	13 Å²	13	57.7 Å²	57.7	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-44.6	174.9	0	0	0	0	0	112	W365 P380 G385 K386 L387 A391 C392 I393	W365-A389 HydrophobicContact CH2-CB 4.27Å; W365-A389 HydrophobicContact CZ2-CB 3.7Å; P380-A389 HydrophobicContact CG-CB 3.76Å; G385-A389 WeakPolarHBondContact O-CB 3.24Å; G385-A389 PolarHBondContact O-N 3.27Å; K386-A389 PolarHBondContact O-N 2.63Å; L387-A389 VanDerWaalsContact C-N 3.34Å; L387-A389 PolarHBondContact O-N 2.83Å; A389-A391 VanDerWaalsContact C-N 3.33Å; A389-A391 PolarHBondContact O-N 3.45Å; A389-C392 WeakPolarHBondContact O-CB 3.36Å; A389-C392 PolarHBondContact O-N 3.31Å; A389-I393 VanDerWaalsContact O-CG1 3.31Å; A389-I393 WeakPolarHBondContact O-CG1 3.36Å; A389-I393 PolarHBondContact O-N 2.94Å
390	S	95.8	Very high	94	Very high	74 Å²	74	55.4 Å²	55.4	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-43.3	178.5	-57.2	0	0	0	0	111.3	K386 L387 L394	K386-S390 WeakPolarHBondContact O-CB 3.35Å; K386-S390 PolarHBondContact O-N 2.83Å; K386-S390 PolarHBondContact O-OG 3.02Å; L387-S390 PolarHBondContact O-N 3.33Å; S390-L394 PolarHBondContact O-N 3.46Å
391	A	96.1	Very high	93.9	Very high	48 Å²	48	58.4 Å²	58.4	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-41.1	174.7	0	0	0	0	0	112.3	F341 L387 T388 A389 L394 A395	F341-A391 HydrophobicContact CE1-CB 4.12Å; L387-A391 PolarHBondContact O-N 3.47Å; T388-A391 PolarHBondContact O-N 3.15Å; A389-A391 VanDerWaalsContact C-N 3.33Å; A389-A391 PolarHBondContact O-N 3.45Å; A391-L394 PolarHBondContact O-N 2.95Å; A391-A395 VanDerWaalsContact O-CB 3.3Å; A391-A395 WeakPolarHBondContact O-CB 3.34Å; A391-A395 PolarHBondContact O-N 3.47Å
392	C	96.6	Very high	93.4	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-47.6	177.3	179.9	0	0	0	0	112	F341 W365 M370 T388 A389 A395 G396	F341-C392 HydrophobicContact CB-CB 4.14Å; F341-C392 HydrophobicContact CD1-CB 3.68Å; F341-C392 HydrophobicContact CD2-CB 4.06Å; F341-C392 HydrophobicContact CE1-CB 4.05Å; F341-C392 HydrophobicContact CE2-CB 4.42Å; F341-C392 HydrophobicContact CG-CB 3.69Å; F341-C392 HydrophobicContact CZ-CB 4.41Å; W365-C392 HydrophobicContact CH2-CB 4.32Å; M370-C392 WeakPolarHBondContact CG-SG 3.41Å; T388-C392 VanDerWaalsContact O-CB 3.28Å; T388-C392 WeakPolarHBondContact O-CB 3.29Å; T388-C392 PolarHBondContact O-N 3.36Å; A389-C392 WeakPolarHBondContact O-CB 3.36Å; A389-C392 PolarHBondContact O-N 3.31Å; C392-A395 PolarHBondContact O-N 3.27Å; C392-G396 PolarHBondContact O-N 3.38Å
393	I	96.3	Very high	92.9	Very high	73 Å²	73	59.9 Å²	59.9	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-46.8	178.8	-66.4	163	0	0	0	110.6	A389 A395 G396 I397	A389-I393 VanDerWaalsContact O-CG1 3.31Å; A389-I393 WeakPolarHBondContact O-CG1 3.36Å; A389-I393 PolarHBondContact O-N 2.94Å; I393-A395 PolarHBondContact O-N 2.78Å; I393-G396 PolarHBondContact O-N 3.23Å; I393-I397 HydrophobicContact CG2-CD1 4.08Å; I393-I397 WeakPolarHBondContact O-CG1 3.49Å; I393-I397 PolarHBondContact O-N 2.93Å
394	L	95.6	Very high	92.6	Very high	113 Å²	113	57.7 Å²	57.7	59%	0.592	33%	0.326	S	S	*	.	H	α-helix	trans	-61.8	-44.7	179	-176.8	65	0	0	0	111.7	S390 A391 L398	S390-L394 PolarHBondContact O-N 3.46Å; A391-L394 PolarHBondContact O-N 2.95Å; L394-L398 WeakPolarHBondContact O-CG 3.35Å; L394-L398 PolarHBondContact O-N 2.95Å
395	A	94.9	Very high	92.3	Very high	28 Å²	28	57.7 Å²	57.7	23%	0.231	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.3	0	0	0	0	0	111.9	F341 A391 C392 I393 L398 V399	F341-A395 HydrophobicContact CE2-CB 3.63Å; F341-A395 HydrophobicContact CZ-CB 3.72Å; A391-A395 VanDerWaalsContact O-CB 3.3Å; A391-A395 WeakPolarHBondContact O-CB 3.34Å; A391-A395 PolarHBondContact O-N 3.47Å; C392-A395 PolarHBondContact O-N 3.27Å; I393-A395 PolarHBondContact O-N 2.78Å; A395-L398 PolarHBondContact O-N 2.8Å; A395-V399 WeakPolarHBondContact O-CB 3.49Å; A395-V399 VanDerWaalsContact O-CG2 3.3Å; A395-V399 WeakPolarHBondContact O-CG2 3.49Å; A395-V399 PolarHBondContact O-N 2.71Å
396	G	94.4	Very high	91.6	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-58.4	-48.1	177	0	0	0	0	0	112.8	M370 C392 I393 L398 V399 V400	M370-G396 CarbonylContact O-C 3.57Å; M370-G396 WeakPolarHBondContact O-CA 3.36Å; C392-G396 PolarHBondContact O-N 3.38Å; I393-G396 PolarHBondContact O-N 3.23Å; G396-L398 VanDerWaalsContact C-N 3.33Å; G396-L398 PolarHBondContact O-N 2.97Å; G396-V399 PolarHBondContact O-N 3Å; G396-V400 WeakPolarHBondContact O-CB 3.44Å; G396-V400 VanDerWaalsContact O-CG2 3.29Å; G396-V400 WeakPolarHBondContact O-CG2 3.32Å; G396-V400 PolarHBondContact O-N 3.14Å
397	I	93.6	Very high	91.1	Very high	78 Å²	78	58.3 Å²	58.3	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-56.8	-47.3	176.2	-67.6	166.4	0	0	0	110.7	T372 I393 V400 V401	T372-I397 HydrophobicContact CG2-CD1 4.35Å; T372-I397 HydrophobicContact CG2-CG1 3.71Å; I393-I397 HydrophobicContact CG2-CD1 4.08Å; I393-I397 WeakPolarHBondContact O-CG1 3.49Å; I393-I397 PolarHBondContact O-N 2.93Å; I397-V400 PolarHBondContact O-N 3.27Å; I397-V401 HydrophobicContact CG2-CG2 4.14Å; I397-V401 WeakPolarHBondContact O-CB 3.45Å; I397-V401 WeakPolarHBondContact O-CG2 3.3Å; I397-V401 PolarHBondContact O-N 3.2Å
398	L	91.4	Very high	90.6	Very high	109 Å²	109	58.6 Å²	58.6	57%	0.571	33%	0.329	S	S	*	.	H	α-helix	trans	-64.1	-42.7	-179.4	-68.3	171.1	0	0	0	112.4	L394 A395 G396	L394-L398 WeakPolarHBondContact O-CG 3.35Å; L394-L398 PolarHBondContact O-N 2.95Å; A395-L398 PolarHBondContact O-N 2.8Å; G396-L398 VanDerWaalsContact C-N 3.33Å; G396-L398 PolarHBondContact O-N 2.97Å
399	V	90.6	Very high	90	Very high	36 Å²	36	63 Å²	63	22%	0.218	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-39.1	180	168.2	0	0	0	0	111.6	A395 G396 P403	A395-V399 WeakPolarHBondContact O-CB 3.49Å; A395-V399 VanDerWaalsContact O-CG2 3.3Å; A395-V399 WeakPolarHBondContact O-CG2 3.49Å; A395-V399 PolarHBondContact O-N 2.71Å; G396-V399 PolarHBondContact O-N 3Å; V399-P403 WeakPolarHBondContact O-CD 3.33Å
400	V	90.3	Very high	89.2	Confident	34 Å²	34	65 Å²	65	21%	0.206	36%	0.359	C	S	.	.	H	α-helix	trans	-79.5	-38.9	-175.3	171.1	0	0	0	0	112	L334 G396 I397 L402 I404	L334-V400 HydrophobicContact CD1-CG2 4.42Å; G396-V400 WeakPolarHBondContact O-CB 3.44Å; G396-V400 VanDerWaalsContact O-CG2 3.29Å; G396-V400 WeakPolarHBondContact O-CG2 3.32Å; G396-V400 PolarHBondContact O-N 3.14Å; I397-V400 PolarHBondContact O-N 3.27Å; V400-L402 PolarHBondContact O-N 3.16Å; V400-I404 HydrophobicContact CG1-CD1 3.3Å; V400-I404 HydrophobicContact CG1-CG1 4.17Å; V400-I404 WeakPolarHBondContact O-CB 3.37Å; V400-I404 WeakPolarHBondContact O-CG1 3.27Å; V400-I404 PolarHBondContact O-N 3.29Å
401	V	89.8	Confident	88.4	Confident	75 Å²	75	64.2 Å²	64.2	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-43.5	-174.5	166.8	0	0	0	0	112.6	I397 I404 T405	I397-V401 HydrophobicContact CG2-CG2 4.14Å; I397-V401 WeakPolarHBondContact O-CB 3.45Å; I397-V401 WeakPolarHBondContact O-CG2 3.3Å; I397-V401 PolarHBondContact O-N 3.2Å; V401-I404 PolarHBondContact O-N 3.01Å; V401-T405 WeakPolarHBondContact O-CG2 3.31Å; V401-T405 PolarHBondContact O-N 3.4Å; V401-T405 PolarHBondContact O-OG1 2.65Å
402	L	80.8	Confident	87.7	Confident	121 Å²	121	63.8 Å²	63.8	63%	0.634	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-52.6	-172.5	-62.7	171.4	0	0	0	112.3	V400 I404 T405	V400-L402 PolarHBondContact O-N 3.16Å; L402-I404 PolarHBondContact O-N 3.25Å; L402-T405 PolarHBondContact O-N 3.45Å; L402-T405 PolarHBondContact O-OG1 3.4Å
403	P	83.6	Confident	86.7	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.071	36%	0.361	C	S	.	.	H	α-helix	trans	-72.6	-31.4	-179.1	-20.5	37.3	0	0	0	113	L330 V399 T405 L406 I407	L330-P403 HydrophobicContact CB-CB 3.76Å; L330-P403 HydrophobicContact CB-CG 3.92Å; L330-P403 HydrophobicContact CD1-CB 4.08Å; L330-P403 HydrophobicContact CD1-CG 3.79Å; L330-P403 HydrophobicContact CD2-CB 4.2Å; L330-P403 HydrophobicContact CG-CB 4.21Å; L330-P403 HydrophobicContact CG-CG 4.34Å; V399-P403 WeakPolarHBondContact O-CD 3.33Å; P403-T405 VanDerWaalsContact C-N 3.32Å; P403-T405 PolarHBondContact O-N 3.41Å; P403-L406 PolarHBondContact O-N 3.03Å; P403-I407 HydrophobicContact CB-CD1 4.48Å; P403-I407 WeakPolarHBondContact O-CB 3.37Å; P403-I407 WeakPolarHBondContact O-CD1 3.48Å; P403-I407 VanDerWaalsContact O-CG1 3.22Å; P403-I407 WeakPolarHBondContact O-CG1 3.39Å; P403-I407 PolarHBondContact O-N 3.21Å
404	I	87.3	Confident	85.6	Confident	88 Å²	88	65 Å²	65	45%	0.451	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-44.2	177.2	-74.2	-177.4	0	0	0	110.9	V400 V401 L402 L406 I407 F408	V400-I404 HydrophobicContact CG1-CD1 3.3Å; V400-I404 HydrophobicContact CG1-CG1 4.17Å; V400-I404 WeakPolarHBondContact O-CB 3.37Å; V400-I404 WeakPolarHBondContact O-CG1 3.27Å; V400-I404 PolarHBondContact O-N 3.29Å; V401-I404 PolarHBondContact O-N 3.01Å; L402-I404 PolarHBondContact O-N 3.25Å; I404-L406 VanDerWaalsContact C-N 3.34Å; I404-L406 PolarHBondContact O-N 3.43Å; I404-I407 PolarHBondContact O-N 3.45Å; I404-F408 VanDerWaalsContact O-CB 3.25Å; I404-F408 WeakPolarHBondContact O-CB 3.46Å; I404-F408 PolarHBondContact O-N 3.02Å
405	T	86.3	Confident	84.8	Confident	68 Å²	68	64 Å²	64	42%	0.417	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-39.3	179.3	60	0	0	0	0	112.4	V401 L402 P403 F408 N409	V401-T405 WeakPolarHBondContact O-CG2 3.31Å; V401-T405 PolarHBondContact O-N 3.4Å; V401-T405 PolarHBondContact O-OG1 2.65Å; L402-T405 PolarHBondContact O-N 3.45Å; L402-T405 PolarHBondContact O-OG1 3.4Å; P403-T405 VanDerWaalsContact C-N 3.32Å; P403-T405 PolarHBondContact O-N 3.41Å; T405-F408 PolarHBondContact O-N 3.44Å; T405-N409 VanDerWaalsContact O-CG 3.3Å; T405-N409 PolarHBondContact O-N 3.1Å; T405-N409 PolarHBondContact O-ND2 3.17Å
406	L	79.5	Confident	83.7	Confident	92 Å²	92	68.8 Å²	68.8	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-48	175.8	-68.4	170.4	0	0	0	111.8	P403 I404 F408 N409 K410	P403-L406 PolarHBondContact O-N 3.03Å; I404-L406 VanDerWaalsContact C-N 3.34Å; I404-L406 PolarHBondContact O-N 3.43Å; L406-F408 VanDerWaalsContact C-N 3.3Å; L406-F408 PolarHBondContact O-N 3.09Å; L406-N409 PolarHBondContact O-N 3.44Å; L406-K410 PolarHBondContact O-N 3.41Å; L406-K410 VanDerWaalsContact O-N 3.07Å
407	I	84.9	Confident	82.6	Confident	34 Å²	34	71 Å²	71	17%	0.174	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-41.2	177.1	-65.8	162	0	0	0	110.3	V327 L330 P403 I404 K410 F411	V327-I407 HydrophobicContact CG2-CD1 3.74Å; V327-I407 HydrophobicContact CG2-CG1 4.23Å; L330-I407 HydrophobicContact CD2-CD1 4.37Å; P403-I407 HydrophobicContact CB-CD1 4.48Å; P403-I407 WeakPolarHBondContact O-CB 3.37Å; P403-I407 WeakPolarHBondContact O-CD1 3.48Å; P403-I407 VanDerWaalsContact O-CG1 3.22Å; P403-I407 WeakPolarHBondContact O-CG1 3.39Å; P403-I407 PolarHBondContact O-N 3.21Å; I404-I407 PolarHBondContact O-N 3.45Å; I407-K410 PolarHBondContact O-N 3.39Å; I407-F411 WeakPolarHBondContact O-CB 3.26Å; I407-F411 PolarHBondContact O-N 3.15Å
408	F	85.7	Confident	81.6	Confident	125 Å²	125	68.7 Å²	68.7	55%	0.548	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178	177.4	-98.4	0	0	0	112.4	I404 T405 L406 F411 S412	I404-F408 VanDerWaalsContact O-CB 3.25Å; I404-F408 WeakPolarHBondContact O-CB 3.46Å; I404-F408 PolarHBondContact O-N 3.02Å; T405-F408 PolarHBondContact O-N 3.44Å; L406-F408 VanDerWaalsContact C-N 3.3Å; L406-F408 PolarHBondContact O-N 3.09Å; F408-F411 PolarHBondContact O-N 3.49Å; F408-S412 WeakPolarHBondContact O-CB 3.14Å; F408-S412 PolarHBondContact O-N 3.25Å
409	N	81.9	Confident	80.9	Confident	103 Å²	103	68.4 Å²	68.4	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-62.9	-44.5	177.4	-73.3	-21.2	0	0	0	111.4	T405 L406 S412 L413	T405-N409 VanDerWaalsContact O-CG 3.3Å; T405-N409 PolarHBondContact O-N 3.1Å; T405-N409 PolarHBondContact O-ND2 3.17Å; L406-N409 PolarHBondContact O-N 3.44Å; N409-S412 PolarHBondContact O-N 3.34Å; N409-L413 PolarHBondContact O-N 2.7Å; N409-L413 VanDerWaalsContact O-N 3.1Å
410	K	77.9	Confident	79.9	Confident	56 Å²	56	73 Å²	73	24%	0.243	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-42.1	173.7	-70.4	-69.1	-170.6	-176	0	111.4	D134 D138 T319 L406 I407 S412 L413 F414	D134-K410 IonicContact OD1-NZ 3.74Å; D138-K410 IonicContact OD1-NZ 3.38Å; D138-K410 IonicContact OD2-NZ 3.88Å; D138-K410 PolarHBondContact OD2-NZ 2.78Å; T319-K410 HydrophobicContact CG2-CB 4.13Å; L406-K410 PolarHBondContact O-N 3.41Å; L406-K410 VanDerWaalsContact O-N 3.07Å; I407-K410 PolarHBondContact O-N 3.39Å; K410-S412 PolarHBondContact O-N 2.94Å; K410-L413 WeakPolarHBondContact O-CB 3.27Å; K410-L413 PolarHBondContact O-N 3.4Å; K410-F414 WeakPolarHBondContact O-CD2 3.39Å; K410-F414 PolarHBondContact O-N 3.31Å
411	F	80.3	Confident	78.9	Confident	57 Å²	57	72.4 Å²	72.4	25%	0.25	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-45.5	175	174.5	-98.6	0	0	0	112.3	S315 L316 T319 I407 F408 L413 F414 Y415	S315-F411 VanDerWaalsContact OG-CE2 3.23Å; S315-F411 WeakPolarHBondContact OG-CE2 3.3Å; L316-F411 HydrophobicContact CB-CD2 4.42Å; L316-F411 HydrophobicContact CB-CE2 4.01Å; T319-F411 HydrophobicContact CG2-CB 3.99Å; T319-F411 WeakPolarHBondContact OG1-CA 3.5Å; I407-F411 WeakPolarHBondContact O-CB 3.26Å; I407-F411 PolarHBondContact O-N 3.15Å; F408-F411 PolarHBondContact O-N 3.49Å; F411-L413 VanDerWaalsContact C-N 3.3Å; F411-L413 PolarHBondContact O-N 2.9Å; F411-F414 PolarHBondContact O-N 2.91Å; F411-Y415 HydrophobicContact CZ-CD2 4.46Å; F411-Y415 WeakPolarHBondContact O-CB 3.14Å; F411-Y415 PolarHBondContact O-N 3.38Å
412	S	81.3	Confident	78.1	Confident	38 Å²	38	71.4 Å²	71.4	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-40.7	178.5	-174.3	0	0	0	0	111.6	F408 N409 K410 K416	F408-S412 WeakPolarHBondContact O-CB 3.14Å; F408-S412 PolarHBondContact O-N 3.25Å; N409-S412 PolarHBondContact O-N 3.34Å; K410-S412 PolarHBondContact O-N 2.94Å; S412-K416 WeakPolarHBondContact O-CG 3.29Å; S412-K416 PolarHBondContact O-N 3.29Å
413	L	75.6	Confident	77.6	Confident	85 Å²	85	70.5 Å²	70.5	45%	0.445	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-55	174.7	-172.6	74.1	0	0	0	111.4	N409 K410 F411 Y415 K416 R417	N409-L413 PolarHBondContact O-N 2.7Å; N409-L413 VanDerWaalsContact O-N 3.1Å; K410-L413 WeakPolarHBondContact O-CB 3.27Å; K410-L413 PolarHBondContact O-N 3.4Å; F411-L413 VanDerWaalsContact C-N 3.3Å; F411-L413 PolarHBondContact O-N 2.9Å; L413-Y415 VanDerWaalsContact C-N 3.3Å; L413-Y415 PolarHBondContact O-N 3.28Å; L413-K416 PolarHBondContact O-N 3.29Å; L413-R417 WeakPolarHBondContact O-CB 3.21Å; L413-R417 PolarHBondContact O-N 2.79Å
414	F	72.1	Confident	76.8	Confident	15 Å²	15	71.6 Å²	71.6	7%	0.066	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-37.4	179.5	-79.1	-66.6	0	0	0	112.5	T319 N322 K410 F411 R417 Q418	T319-F414 HydrophobicContact CG2-CD2 4.36Å; N322-F414 HydrophobicContact CB-CE2 4.07Å; N322-F414 HydrophobicContact CB-CZ 4Å; N322-F414 WeakPolarHBondContact ND2-CE1 3.49Å; N322-F414 WeakPolarHBondContact ND2-CZ 3.38Å; K410-F414 WeakPolarHBondContact O-CD2 3.39Å; K410-F414 PolarHBondContact O-N 3.31Å; F411-F414 PolarHBondContact O-N 2.91Å; F414-R417 PolarHBondContact O-N 2.82Å; F414-Q418 WeakPolarHBondContact O-CB 3.23Å; F414-Q418 PolarHBondContact O-N 2.92Å
415	Y	77.9	Confident	75.8	Confident	91 Å²	91	69.3 Å²	69.3	36%	0.357	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-48	176.6	176.7	-103.2	0	0	0	112	F411 L413 R417 Q418 K419	F411-Y415 HydrophobicContact CZ-CD2 4.46Å; F411-Y415 WeakPolarHBondContact O-CB 3.14Å; F411-Y415 PolarHBondContact O-N 3.38Å; L413-Y415 VanDerWaalsContact C-N 3.3Å; L413-Y415 PolarHBondContact O-N 3.28Å; Y415-R417 VanDerWaalsContact C-N 3.3Å; Y415-R417 PolarHBondContact O-N 3.25Å; Y415-Q418 PolarHBondContact O-N 3.03Å; Y415-K419 VanDerWaalsContact O-CB 3.3Å; Y415-K419 WeakPolarHBondContact O-CB 3.29Å; Y415-K419 PolarHBondContact O-N 3.42Å
416	K	73.7	Confident	74.8	Confident	129 Å²	129	72.6 Å²	72.6	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-58.8	-44.6	175.7	-75.4	174.9	-174.9	175.5	0	110.9	S412 L413 K419 Q420	S412-K416 WeakPolarHBondContact O-CG 3.29Å; S412-K416 PolarHBondContact O-N 3.29Å; L413-K416 PolarHBondContact O-N 3.29Å; K416-K419 PolarHBondContact O-N 2.92Å; K416-Q420 WeakPolarHBondContact O-CG 3.39Å; K416-Q420 PolarHBondContact O-N 3.12Å
417	R	69.8	Low	74	Confident	45 Å²	45	72.4 Å²	72.4	17%	0.17	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-47.3	-179.7	-172.4	170.1	-177.5	-175.9	-12.4	112.5	S141 T142 S145 L413 F414 Y415 K419 Q420 L421	S141-R417 VanDerWaalsContact C-NH1 3.32Å; S141-R417 PolarHBondContact O-NH1 3.47Å; S141-R417 PolarHBondContact O-NH2 3.41Å; T142-R417 VanDerWaalsContact C-NH2 3.34Å; T142-R417 VanDerWaalsContact CA-NH2 3.29Å; T142-R417 PolarHBondContact O-NH2 3.45Å; S145-R417 VanDerWaalsContact N-NH2 3.16Å; S145-R417 VanDerWaalsContact OG-CZ 3.23Å; S145-R417 PolarHBondContact OG-NE 2.82Å; S145-R417 PolarHBondContact OG-NH2 2.88Å; L413-R417 WeakPolarHBondContact O-CB 3.21Å; L413-R417 PolarHBondContact O-N 2.79Å; F414-R417 PolarHBondContact O-N 2.82Å; Y415-R417 VanDerWaalsContact C-N 3.3Å; Y415-R417 PolarHBondContact O-N 3.25Å; R417-K419 VanDerWaalsContact C-N 3.27Å; R417-K419 PolarHBondContact O-N 2.9Å; R417-Q420 WeakPolarHBondContact O-CB 3.3Å; R417-Q420 PolarHBondContact O-N 2.92Å; R417-Q420 VanDerWaalsContact O-N 3.11Å; R417-L421 PolarHBondContact O-N 2.75Å
418	Q	72.4	Confident	72.7	Confident	30 Å²	30	72.1 Å²	72.1	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-67.8	-31.8	179.8	-158	162	16.6	0	0	112.2	T311 S315 F414 Y415 L421 E422	T311-Q418 HydrophobicContact CG2-CB 4.06Å; T311-Q418 HydrophobicContact CG2-CG 3.88Å; S315-Q418 VanDerWaalsContact CB-OE1 3.27Å; F414-Q418 WeakPolarHBondContact O-CB 3.23Å; F414-Q418 PolarHBondContact O-N 2.92Å; Y415-Q418 PolarHBondContact O-N 3.03Å; Q418-L421 WeakPolarHBondContact O-CB 3.49Å; Q418-L421 PolarHBondContact O-N 2.84Å; Q418-E422 WeakPolarHBondContact O-CB 3.45Å; Q418-E422 PolarHBondContact O-N 3.28Å
419	K	76.6	Confident	71.1	Confident	104 Å²	104	72.6 Å²	72.6	45%	0.452	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-39.2	171	-172.5	172.9	-177.7	176.1	0	112.3	Y415 K416 R417 E422 I423	Y415-K419 VanDerWaalsContact O-CB 3.3Å; Y415-K419 WeakPolarHBondContact O-CB 3.29Å; Y415-K419 PolarHBondContact O-N 3.42Å; K416-K419 PolarHBondContact O-N 2.92Å; R417-K419 VanDerWaalsContact C-N 3.27Å; R417-K419 PolarHBondContact O-N 2.9Å; K419-E422 PolarHBondContact O-N 2.92Å; K419-I423 HydrophobicContact CG-CD1 4.34Å; K419-I423 WeakPolarHBondContact O-CD1 3.38Å; K419-I423 VanDerWaalsContact O-CG1 3.28Å; K419-I423 WeakPolarHBondContact O-CG1 3.2Å; K419-I423 PolarHBondContact O-N 2.98Å; K419-I423 VanDerWaalsContact O-N 3.08Å
420	Q	71.6	Confident	69.8	Low	131 Å²	131	69 Å²	69	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-65	-42.6	173.8	-73.5	172	-12.9	0	0	111.7	K416 R417 E422 I423 A424	K416-Q420 WeakPolarHBondContact O-CG 3.39Å; K416-Q420 PolarHBondContact O-N 3.12Å; R417-Q420 WeakPolarHBondContact O-CB 3.3Å; R417-Q420 PolarHBondContact O-N 2.92Å; R417-Q420 VanDerWaalsContact O-N 3.11Å; Q420-E422 VanDerWaalsContact C-N 3.33Å; Q420-E422 PolarHBondContact O-N 3.42Å; Q420-I423 PolarHBondContact O-N 3.39Å; Q420-A424 WeakPolarHBondContact O-CB 3.28Å; Q420-A424 PolarHBondContact O-N 3.38Å
421	L	68.3	Low	68.3	Low	23 Å²	23	73.4 Å²	73.4	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-56.9	-47.9	174.6	-163.5	81.4	0	0	0	111.1	S145 L149 R417 Q418 I423 A424 M425	S145-L421 VanDerWaalsContact O-CD1 3.28Å; S145-L421 WeakPolarHBondContact O-CD1 3.35Å; L149-L421 HydrophobicContact CB-CD1 4.07Å; L149-L421 HydrophobicContact CD1-CD1 3.22Å; L149-L421 HydrophobicContact CD1-CG 3.85Å; L149-L421 HydrophobicContact CG-CD1 4.24Å; R417-L421 PolarHBondContact O-N 2.75Å; Q418-L421 WeakPolarHBondContact O-CB 3.49Å; Q418-L421 PolarHBondContact O-N 2.84Å; L421-I423 VanDerWaalsContact C-N 3.31Å; L421-I423 PolarHBondContact O-N 2.67Å; L421-A424 PolarHBondContact O-N 3.35Å; L421-M425 HydrophobicContact CD2-SD 4.49Å; L421-M425 HydrophobicContact CG-SD 4.36Å; L421-M425 WeakPolarHBondContact O-CB 3.31Å; L421-M425 VanDerWaalsContact O-CG 3.27Å; L421-M425 WeakPolarHBondContact O-CG 3.25Å; L421-M425 PolarHBondContact O-N 3.48Å
422	E	72.5	Confident	66.5	Low	54 Å²	54	78.4 Å²	78.4	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-40.4	177.4	-172.6	-176.5	164.9	0	0	112.1	T311 Q418 K419 Q420 R426	T311-E422 PolarHBondContact OG1-OE2 3.21Å; Q418-E422 WeakPolarHBondContact O-CB 3.45Å; Q418-E422 PolarHBondContact O-N 3.28Å; K419-E422 PolarHBondContact O-N 2.92Å; Q420-E422 VanDerWaalsContact C-N 3.33Å; Q420-E422 PolarHBondContact O-N 3.42Å; E422-R426 VanDerWaalsContact O-CG 3.24Å; E422-R426 WeakPolarHBondContact O-CG 3.31Å; E422-R426 PolarHBondContact O-N 3.44Å; E422-R426 VanDerWaalsContact O-N 3.12Å; E422-R426 IonicContact OE1-CZ 2.7Å; E422-R426 IonicContact OE1-NE 3.54Å; E422-R426 IonicContact OE1-NH2 3.15Å; E422-R426 PolarHBondContact OE1-NH2 3.3Å
423	I	71.6	Confident	64.5	Low	101 Å²	101	80 Å²	80	52%	0.518	41%	0.41	S	S	.	.	H	α-helix	trans	-66.5	-45.1	176	-67.7	164.3	0	0	0	110.7	K419 Q420 L421 M425 R426 S427	K419-I423 HydrophobicContact CG-CD1 4.34Å; K419-I423 WeakPolarHBondContact O-CD1 3.38Å; K419-I423 VanDerWaalsContact O-CG1 3.28Å; K419-I423 WeakPolarHBondContact O-CG1 3.2Å; K419-I423 PolarHBondContact O-N 2.98Å; K419-I423 VanDerWaalsContact O-N 3.08Å; Q420-I423 PolarHBondContact O-N 3.39Å; L421-I423 VanDerWaalsContact C-N 3.31Å; L421-I423 PolarHBondContact O-N 2.67Å; I423-M425 PolarHBondContact O-N 3.28Å; I423-R426 WeakPolarHBondContact O-CB 3.27Å; I423-R426 PolarHBondContact O-N 3.39Å; I423-R426 VanDerWaalsContact O-N 3.12Å; I423-S427 PolarHBondContact O-N 3.47Å; I423-S427 PolarHBondContact O-OG 3.44Å
424	A	66.8	Low	62.8	Low	34 Å²	34	79.8 Å²	79.8	28%	0.281	41%	0.409	S	S	.	.	H	α-helix	trans	-59.2	-47.8	177.7	0	0	0	0	0	111	L149 Q420 L421 R426 S427 C428	L149-A424 HydrophobicContact CD1-CB 4.42Å; Q420-A424 WeakPolarHBondContact O-CB 3.28Å; Q420-A424 PolarHBondContact O-N 3.38Å; L421-A424 PolarHBondContact O-N 3.35Å; A424-R426 PolarHBondContact O-N 2.82Å; A424-S427 WeakPolarHBondContact CA-OG 3.39Å; A424-S427 PolarHBondContact O-N 2.87Å; A424-S427 PolarHBondContact O-OG 2.84Å; A424-C428 PolarHBondContact O-N 2.88Å; A424-C428 VanDerWaalsContact O-N 3.15Å; A424-C428 PolarHBondContact O-SG 2.94Å
425	M	65.3	Low	61.2	Low	40 Å²	40	88.8 Å²	88.8	20%	0.197	45%	0.448	C	S	.	.	H	α-helix	trans	-62	-25.7	176.2	-68.3	179.5	93	0	0	113.7	L149 F152 N177 L421 I423	L149-M425 HydrophobicContact CD1-CG 3.99Å; F152-M425 HydrophobicContact CB-CE 4.48Å; F152-M425 HydrophobicContact CD1-CE 3.74Å; F152-M425 HydrophobicContact CD2-CE 3.71Å; F152-M425 HydrophobicContact CE1-CE 3.79Å; F152-M425 HydrophobicContact CE2-CE 3.75Å; F152-M425 HydrophobicContact CG-CE 3.7Å; F152-M425 HydrophobicContact CZ-CE 3.79Å; N177-M425 PolarHBondContact ND2-O 3.42Å; L421-M425 HydrophobicContact CD2-SD 4.49Å; L421-M425 HydrophobicContact CG-SD 4.36Å; L421-M425 WeakPolarHBondContact O-CB 3.31Å; L421-M425 VanDerWaalsContact O-CG 3.27Å; L421-M425 WeakPolarHBondContact O-CG 3.25Å; L421-M425 PolarHBondContact O-N 3.48Å; I423-M425 PolarHBondContact O-N 3.28Å
426	R	65.8	Low	59.1	Low	138 Å²	138	92.8 Å²	92.8	52%	0.521	47%	0.47	S	S	.	.	H	α-helix	trans	-80.3	-28.5	173.3	-73.8	171.2	-178.6	-155.6	3.7	113	E422 I423 A424	E422-R426 VanDerWaalsContact O-CG 3.24Å; E422-R426 WeakPolarHBondContact O-CG 3.31Å; E422-R426 PolarHBondContact O-N 3.44Å; E422-R426 VanDerWaalsContact O-N 3.12Å; E422-R426 IonicContact OE1-CZ 2.7Å; E422-R426 IonicContact OE1-NE 3.54Å; E422-R426 IonicContact OE1-NH2 3.15Å; E422-R426 PolarHBondContact OE1-NH2 3.3Å; I423-R426 WeakPolarHBondContact O-CB 3.27Å; I423-R426 PolarHBondContact O-N 3.39Å; I423-R426 VanDerWaalsContact O-N 3.12Å; A424-R426 PolarHBondContact O-N 2.82Å
427	S	61.4	Low	57.2	Low	88 Å²	88	91 Å²	91	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-85.6	-14.8	-178.9	62.8	0	0	0	0	114.3	I423 A424 D429	I423-S427 PolarHBondContact O-N 3.47Å; I423-S427 PolarHBondContact O-OG 3.44Å; A424-S427 WeakPolarHBondContact CA-OG 3.39Å; A424-S427 PolarHBondContact O-N 2.87Å; A424-S427 PolarHBondContact O-OG 2.84Å; S427-D429 PolarHBondContact O-N 3.22Å
428	C	57.8	Low	55.6	Low	28 Å²	28	92.5 Å²	92.5	19%	0.189	49%	0.485	C	S	.	.			trans	-77.6	105.3	176.7	-65.3	0	0	0	0	110.3	Y153 A424 F430	Y153-C428 WeakPolarHBondContact OH-CB 3.28Å; Y153-C428 PolarHBondContact OH-SG 3.37Å; A424-C428 PolarHBondContact O-N 2.88Å; A424-C428 VanDerWaalsContact O-N 3.15Å; A424-C428 PolarHBondContact O-SG 2.94Å; C428-F430 HydrophobicContact CB-CE2 4.19Å; C428-F430 HydrophobicContact CB-CZ 4.37Å; C428-F430 VanDerWaalsContact O-CD2 3.22Å; C428-F430 WeakPolarHBondContact O-CD2 3.4Å; C428-F430 PolarHBondContact O-N 3.43Å
429	D	52	Low	53.8	Low	135 Å²	135	94.7 Å²	94.7	72%	0.722	50%	0.504	S	S	*	.			trans	-69.8	107.7	166.3	-88	-31.3	0	0	0	109.1	S427 D431	S427-D429 PolarHBondContact O-N 3.22Å; D429-D431 PolarHBondContact O-N 3.46Å
430	F	55.4	Low	52.1	Low	27 Å²	27	95 Å²	95	12%	0.118	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.4	179	-72	-85.6	0	0	0	113.7	F152 Y153 L173 C428	F152-F430 HydrophobicContact CD1-CZ 4.49Å; F152-F430 HydrophobicContact CE1-CE1 4.22Å; F152-F430 AromaticContact CE1-CZ 3.78Å; F152-F430 HydrophobicContact CE1-CZ 3.78Å; Y153-F430 HydrophobicContact CD1-CE1 4.3Å; Y153-F430 HydrophobicContact CE1-CD1 4.34Å; Y153-F430 AromaticContact CE1-CE1 3.62Å; Y153-F430 HydrophobicContact CE1-CE1 3.62Å; Y153-F430 HydrophobicContact CE1-CZ 4.3Å; L173-F430 HydrophobicContact CD1-CB 4.42Å; L173-F430 HydrophobicContact CD1-CG 4.27Å; L173-F430 HydrophobicContact CD2-CZ 4.45Å; C428-F430 HydrophobicContact CB-CE2 4.19Å; C428-F430 HydrophobicContact CB-CZ 4.37Å; C428-F430 VanDerWaalsContact O-CD2 3.22Å; C428-F430 WeakPolarHBondContact O-CD2 3.4Å; C428-F430 PolarHBondContact O-N 3.43Å
431	D	46.8	Very low	50.7	Low	148 Å²	148	92.1 Å²	92.1	79%	0.791	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.2	-177.8	-112.7	9	0	0	0	113.1	D429	D429-D431 PolarHBondContact O-N 3.46Å
432	E	41.3	Very low	49.6	Very low	163 Å²	163	95.9 Å²	95.9	76%	0.762	52%	0.523	S	S	*	.	S	Bend	trans	-95.1	113.3	166.7	-74.9	-169.9	160.5	0	0	108.6	I434	E432-I434 PolarHBondContact O-N 3.18Å
433	G	40	Very low	48.2	Very low	70 Å²	70	102 Å²	102	72%	0.722	54%	0.543	S	S	*	.			trans	-48.2	119.9	171.8	0	0	0	0	0	109.8	K435	G433-K435 PolarHBondContact O-N 3.01Å
434	I	40.2	Very low	46.6	Very low	82 Å²	82	102 Å²	102	42%	0.421	54%	0.544	S	S	.	.			trans	-60	100.4	-176.8	-65.6	178.5	0	0	0	108.1	Y153 E432 E436	Y153-I434 HydrophobicContact CD1-CD1 3.9Å; Y153-I434 HydrophobicContact CE1-CD1 3.18Å; E432-I434 PolarHBondContact O-N 3.18Å; I434-E436 WeakPolarHBondContact CG2-O 3.32Å; I434-E436 PolarHBondContact O-N 3.2Å
435	K	37.3	Very low	45.6	Very low	204 Å²	204	107 Å²	107	89%	0.887	56%	0.557	S	S	*	*	S	Bend	trans	-74.7	-12.1	172.6	-93.6	-174.9	176.5	178.1	0	112.9	G433	G433-K435 PolarHBondContact O-N 3.01Å
436	E	33.9	Very low	44.6	Very low	174 Å²	174	110.4 Å²	110.4	81%	0.813	57%	0.569	S	S	*	*	S	Bend	trans	-160.9	124.8	170.3	-104.4	160.2	-150.2	0	0	106.9	I434	I434-E436 WeakPolarHBondContact CG2-O 3.32Å; I434-E436 PolarHBondContact O-N 3.2Å
437	V	34.1	Very low	43.6	Very low	93 Å²	93	106.2 Å²	106.2	56%	0.564	56%	0.564	S	S	*	*			trans	-46.8	134.8	167.4	-176.5	0	0	0	0	106.3	S439	V437-S439 PolarHBondContact O-N 2.91Å
438	P	35.6	Very low	42.6	Very low	75 Å²	75	109.1 Å²	109.1	49%	0.487	57%	0.567	S	S	.	*			trans	-66.7	82.6	164.8	27.8	-27.8	0	0	0	105.9	V440	P438-V440 VanDerWaalsContact C-N 3.31Å; P438-V440 PolarHBondContact O-N 3.21Å
439	S	36.5	Very low	41.9	Very low	77 Å²	77	113.7 Å²	113.7	54%	0.538	58%	0.584	S	S	.	*			trans	-44.5	118.3	135.8	62.1	0	0	0	0	102.7	V437 N441	V437-S439 PolarHBondContact O-N 2.91Å; S439-N441 PolarHBondContact O-N 2.74Å
440	V	40	Very low	41.9	Very low	111 Å²	111	110.7 Å²	110.7	67%	0.673	57%	0.57	S	S	*	*			trans	-59.1	89.5	162.8	175.6	0	0	0	0	102.6	P438 L442	P438-V440 VanDerWaalsContact C-N 3.31Å; P438-V440 PolarHBondContact O-N 3.21Å; V440-L442 PolarHBondContact O-N 3.49Å
441	N	42.4	Very low	41.5	Very low	69 Å²	69	117 Å²	117	37%	0.369	60%	0.598	S	S	.	*			trans	-70.7	93.7	179.6	-159.4	-36.3	0	0	0	100.2	S439 R443 N444 Y445	S439-N441 PolarHBondContact O-N 2.74Å; N441-R443 CarbonylContact O-C 3.57Å; N441-R443 PolarHBondContact O-N 3.24Å; N441-R443 VanDerWaalsContact OD1-CB 3.26Å; N441-R443 WeakPolarHBondContact OD1-CB 3.34Å; N441-N444 PolarHBondContact O-N 3.08Å; N441-Y445 PolarHBondContact O-N 2.96Å
442	L	44.3	Very low	41.3	Very low	103 Å²	103	113.9 Å²	113.9	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-48.8	-32	-174.2	-87.5	115.7	0	0	0	109	V440 N444 Y445 Y446	V440-L442 PolarHBondContact O-N 3.49Å; L442-N444 PolarHBondContact O-N 3.46Å; L442-Y445 PolarHBondContact O-N 2.9Å; L442-Y446 HydrophobicContact CB-CD2 4Å; L442-Y446 HydrophobicContact CB-CE2 3.9Å; L442-Y446 HydrophobicContact CD2-CD2 4.47Å; L442-Y446 HydrophobicContact CD2-CE2 3.59Å; L442-Y446 HydrophobicContact CG-CE2 4.37Å; L442-Y446 WeakPolarHBondContact O-CB 3.5Å; L442-Y446 WeakPolarHBondContact O-CD2 3.45Å; L442-Y446 PolarHBondContact O-N 3.01Å
443	R	42.9	Very low	41.6	Very low	181 Å²	181	110.6 Å²	110.6	68%	0.683	58%	0.575	S	S	*	*	H	α-helix	trans	-47.9	-46.2	168.7	-160.5	175.7	76.4	-179.5	3.7	114.7	N441 A447	N441-R443 CarbonylContact O-C 3.57Å; N441-R443 PolarHBondContact O-N 3.24Å; N441-R443 VanDerWaalsContact OD1-CB 3.26Å; N441-R443 WeakPolarHBondContact OD1-CB 3.34Å; R443-A447 WeakPolarHBondContact O-CB 3.1Å; R443-A447 PolarHBondContact O-N 3.16Å
444	N	39.2	Very low	42.1	Very low	101 Å²	101	113.3 Å²	113.3	54%	0.54	57%	0.57	S	S	.	*	H	α-helix	trans	-74	-37.4	180	-73.4	-10	0	0	0	112.4	N441 L442 A447 H448	N441-N444 PolarHBondContact O-N 3.08Å; L442-N444 PolarHBondContact O-N 3.46Å; N444-A447 PolarHBondContact O-N 3.37Å; N444-H448 WeakPolarHBondContact O-CB 3.29Å; N444-H448 PolarHBondContact O-N 2.99Å
445	Y	44.5	Very low	42.6	Very low	139 Å²	139	112 Å²	112	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-65.7	-44.7	173.5	179.2	-103.8	0	0	0	111.3	N441 L442 H448 K449	N441-Y445 PolarHBondContact O-N 2.96Å; L442-Y445 PolarHBondContact O-N 2.9Å; Y445-H448 PolarHBondContact O-N 2.9Å; Y445-K449 PolarHBondContact O-N 3.43Å; Y445-K449 VanDerWaalsContact O-N 3.11Å
446	Y	45.6	Very low	43.1	Very low	112 Å²	112	105.9 Å²	105.9	44%	0.439	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-42.1	173.5	-75.1	-64.5	0	0	0	111.8	L442 H448 K449 V450	L442-Y446 HydrophobicContact CB-CD2 4Å; L442-Y446 HydrophobicContact CB-CE2 3.9Å; L442-Y446 HydrophobicContact CD2-CD2 4.47Å; L442-Y446 HydrophobicContact CD2-CE2 3.59Å; L442-Y446 HydrophobicContact CG-CE2 4.37Å; L442-Y446 WeakPolarHBondContact O-CB 3.5Å; L442-Y446 WeakPolarHBondContact O-CD2 3.45Å; L442-Y446 PolarHBondContact O-N 3.01Å; Y446-H448 VanDerWaalsContact C-N 3.31Å; Y446-H448 PolarHBondContact O-N 2.98Å; Y446-K449 PolarHBondContact O-N 2.49Å; Y446-V450 VanDerWaalsContact O-CB 3.26Å; Y446-V450 WeakPolarHBondContact O-CB 3.13Å; Y446-V450 WeakPolarHBondContact O-CG2 3.38Å; Y446-V450 PolarHBondContact O-N 3.46Å
447	A	45.3	Very low	43.7	Very low	51 Å²	51	103 Å²	103	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-61.5	-38.1	177.5	0	0	0	0	0	112.4	R443 N444 K451	R443-A447 WeakPolarHBondContact O-CB 3.1Å; R443-A447 PolarHBondContact O-N 3.16Å; N444-A447 PolarHBondContact O-N 3.37Å; A447-K451 WeakPolarHBondContact O-CB 3.46Å; A447-K451 PolarHBondContact O-N 3.48Å
448	H	40.3	Very low	44.5	Very low	149 Å²	149	102.9 Å²	102.9	69%	0.69	55%	0.547	S	S	*	.	H	α-helix	trans	-70.8	-39.1	178.2	-151.6	-66.3	0	0	0	112.1	N444 Y445 Y446 S452	N444-H448 WeakPolarHBondContact O-CB 3.29Å; N444-H448 PolarHBondContact O-N 2.99Å; Y445-H448 PolarHBondContact O-N 2.9Å; Y446-H448 VanDerWaalsContact C-N 3.31Å; Y446-H448 PolarHBondContact O-N 2.98Å; H448-S452 WeakPolarHBondContact O-CB 3.38Å; H448-S452 PolarHBondContact O-N 3.48Å
449	K	43	Very low	44.9	Very low	124 Å²	124	106.3 Å²	106.3	54%	0.539	56%	0.561	S	S	.	*	H	α-helix	trans	-70	-38.9	176.7	-150.6	175.5	-175.1	-176.5	0	111.5	Y445 Y446 S452 L453	Y445-K449 PolarHBondContact O-N 3.43Å; Y445-K449 VanDerWaalsContact O-N 3.11Å; Y446-K449 PolarHBondContact O-N 2.49Å; K449-S452 PolarHBondContact O-N 3.46Å; K449-L453 WeakPolarHBondContact O-CB 3.43Å; K449-L453 PolarHBondContact O-N 3.4Å
450	V	51.7	Low	45.1	Very low	72 Å²	72	112.7 Å²	112.7	44%	0.436	59%	0.585	S	S	.	*	H	α-helix	trans	-67.6	-42	174.6	170.3	0	0	0	0	111.3	Y446 S452 L453 M454	Y446-V450 VanDerWaalsContact O-CB 3.26Å; Y446-V450 WeakPolarHBondContact O-CB 3.13Å; Y446-V450 WeakPolarHBondContact O-CG2 3.38Å; Y446-V450 PolarHBondContact O-N 3.46Å; V450-S452 PolarHBondContact O-N 3.09Å; V450-L453 PolarHBondContact O-N 2.77Å; V450-M454 HydrophobicContact CG1-CE 3.73Å; V450-M454 HydrophobicContact CG1-CG 4.37Å; V450-M454 WeakPolarHBondContact O-CG 3.45Å; V450-M454 PolarHBondContact O-N 3.26Å
451	K	47.4	Very low	45.3	Very low	160 Å²	160	112.8 Å²	112.8	70%	0.696	58%	0.581	S	S	*	*	H	α-helix	trans	-61.2	-42.3	173	-101	-178.9	173.6	178.2	0	112.4	A447 L453 M454 A455	A447-K451 WeakPolarHBondContact O-CB 3.46Å; A447-K451 PolarHBondContact O-N 3.48Å; K451-L453 VanDerWaalsContact C-N 3.29Å; K451-L453 PolarHBondContact O-N 3.48Å; K451-M454 PolarHBondContact O-N 3.2Å; K451-A455 VanDerWaalsContact O-CB 3.27Å; K451-A455 WeakPolarHBondContact O-CB 3.33Å; K451-A455 PolarHBondContact O-N 2.86Å
452	S	41.7	Very low	45.5	Very low	81 Å²	81	115.1 Å²	115.1	57%	0.566	59%	0.592	S	S	*	*	H	α-helix	trans	-62	-38.2	175.1	-176.9	0	0	0	0	112	H448 K449 V450 S456	H448-S452 WeakPolarHBondContact O-CB 3.38Å; H448-S452 PolarHBondContact O-N 3.48Å; K449-S452 PolarHBondContact O-N 3.46Å; V450-S452 PolarHBondContact O-N 3.09Å; S452-S456 WeakPolarHBondContact O-CB 3.45Å; S452-S456 PolarHBondContact O-N 2.92Å; S452-S456 VanDerWaalsContact O-N 3.1Å
453	L	48.6	Very low	45.5	Very low	95 Å²	95	115.8 Å²	115.8	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-71	-44.1	177.2	-119.4	147.8	0	0	0	111.9	K449 V450 K451 A455 S456 L457	K449-L453 WeakPolarHBondContact O-CB 3.43Å; K449-L453 PolarHBondContact O-N 3.4Å; V450-L453 PolarHBondContact O-N 2.77Å; K451-L453 VanDerWaalsContact C-N 3.29Å; K451-L453 PolarHBondContact O-N 3.48Å; L453-A455 PolarHBondContact O-N 2.94Å; L453-S456 WeakPolarHBondContact O-CB 3.46Å; L453-S456 PolarHBondContact O-N 3.11Å; L453-L457 HydrophobicContact CD2-CD1 4.04Å; L453-L457 WeakPolarHBondContact O-CB 3.4Å; L453-L457 WeakPolarHBondContact O-CG 3.41Å; L453-L457 PolarHBondContact O-N 2.95Å
454	M	49	Very low	45.7	Very low	127 Å²	127	111.9 Å²	111.9	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-64	-38.8	175	-72.7	-166.8	-170.8	0	0	112.1	V450 K451 S456 L457 S458	V450-M454 HydrophobicContact CG1-CE 3.73Å; V450-M454 HydrophobicContact CG1-CG 4.37Å; V450-M454 WeakPolarHBondContact O-CG 3.45Å; V450-M454 PolarHBondContact O-N 3.26Å; K451-M454 PolarHBondContact O-N 3.2Å; M454-S456 VanDerWaalsContact C-N 3.32Å; M454-S456 PolarHBondContact O-N 2.75Å; M454-L457 PolarHBondContact O-N 2.95Å; M454-S458 WeakPolarHBondContact O-CB 3.21Å; M454-S458 PolarHBondContact O-N 3.26Å
455	A	50.7	Low	46.1	Very low	53 Å²	53	112.6 Å²	112.6	44%	0.438	59%	0.593	S	S	.	*	H	α-helix	trans	-66.3	-34.7	175.1	0	0	0	0	0	112.2	K451 L453 N459	K451-A455 VanDerWaalsContact O-CB 3.27Å; K451-A455 WeakPolarHBondContact O-CB 3.33Å; K451-A455 PolarHBondContact O-N 2.86Å; L453-A455 PolarHBondContact O-N 2.94Å; A455-N459 PolarHBondContact O-N 3.37Å; A455-N459 PolarHBondContact O-ND2 3.33Å
456	S	47.6	Very low	46.2	Very low	76 Å²	76	110.9 Å²	110.9	53%	0.531	60%	0.596	S	S	.	*	H	α-helix	trans	-70.5	-34.4	173.7	-172	0	0	0	0	112.6	S452 L453 M454	S452-S456 WeakPolarHBondContact O-CB 3.45Å; S452-S456 PolarHBondContact O-N 2.92Å; S452-S456 VanDerWaalsContact O-N 3.1Å; L453-S456 WeakPolarHBondContact O-CB 3.46Å; L453-S456 PolarHBondContact O-N 3.11Å; M454-S456 VanDerWaalsContact C-N 3.32Å; M454-S456 PolarHBondContact O-N 2.75Å
457	L	47.7	Very low	46.2	Very low	114 Å²	114	110.8 Å²	110.8	60%	0.597	61%	0.607	S	S	*	*	H	α-helix	trans	-80.2	-24.4	178.8	-72.8	165.3	0	0	0	113.1	L453 M454 N459	L453-L457 HydrophobicContact CD2-CD1 4.04Å; L453-L457 WeakPolarHBondContact O-CB 3.4Å; L453-L457 WeakPolarHBondContact O-CG 3.41Å; L453-L457 PolarHBondContact O-N 2.95Å; M454-L457 PolarHBondContact O-N 2.95Å; L457-N459 VanDerWaalsContact C-N 3.35Å
458	S	50.6	Low	46.3	Very low	91 Å²	91	115.4 Å²	115.4	64%	0.636	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-13.4	174.8	-178.9	0	0	0	0	113.6	M454	M454-S458 WeakPolarHBondContact O-CB 3.21Å; M454-S458 PolarHBondContact O-N 3.26Å
459	N	43.9	Very low	46.8	Very low	146 Å²	146	112.6 Å²	112.6	78%	0.781	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	7.3	178.1	-77.8	-19.2	0	0	0	112.8	A455 L457	A455-N459 PolarHBondContact O-N 3.37Å; A455-N459 PolarHBondContact O-ND2 3.33Å; L457-N459 VanDerWaalsContact C-N 3.35Å
460	M	40	Very low	47.2	Very low	212 Å²	212	111.5 Å²	111.5	100%	1.044	62%	0.623	S	S	*	*			trans	-105.7	0	161.5	-72	-176.2	74.1	0	0	108.5

Retrieved 460 of 460 residues in 1168.1 ms (Link to these results)

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