A0A096M4D1_POEFO Loading...

Rhophilin Rho GTPase binding protein 1

AlphaFold DB , UniProt , Accession A0A096M4D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	28.9	Very low	242 Å²	242	148.9 Å²	148.9	100%	1.192	86%	0.86	S	S	*	*				0	116.8	0	-74.5	-162.5	178.6	0	0	108.7
2	P	26.6	Very low	29.2	Very low	132 Å²	132	146 Å²	146	86%	0.857	85%	0.854	S	S	*	*			trans	-111.7	143.3	161.6	25.1	-7.5	0	0	0	111.2
3	V	27.7	Very low	29.8	Very low	141 Å²	141	139.9 Å²	139.9	86%	0.855	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-74.1	135.4	-172.8	173.4	0	0	0	0	110.6
4	T	29.3	Very low	30.6	Very low	132 Å²	132	137 Å²	137	81%	0.81	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.8	129.4	172.3	41.4	0	0	0	0	111.9
5	L	26.3	Very low	32	Very low	164 Å²	164	133.2 Å²	133.2	86%	0.859	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93.4	143.1	160.6	-78.6	162.2	0	0	0	109.3
6	P	27.7	Very low	33.7	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.3	135.3	179.4	0.4	16.7	0	0	0	110.5	D8	P6-D8 PolarHBondContact O-N 3.22Å
7	T	28.5	Very low	35.1	Very low	137 Å²	137	134.3 Å²	134.3	84%	0.84	78%	0.778	S	S	*	*			trans	-68.6	111.9	166.7	46.9	0	0	0	0	109.3	S9	T7-S9 PolarHBondContact O-N 2.81Å
8	D	25.8	Very low	36.3	Very low	160 Å²	160	128 Å²	128	86%	0.856	75%	0.747	S	S	*	*			trans	-56	124.4	168.3	-101.6	-27.4	0	0	0	109.9	P6 S10	P6-D8 PolarHBondContact O-N 3.22Å; D8-S10 PolarHBondContact O-N 3.45Å
9	S	27	Very low	37.4	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	73%	0.727	S	S	*	*			trans	-60	101.1	171.3	51.3	0	0	0	0	109.5	T7 H11	T7-S9 PolarHBondContact O-N 2.81Å; S9-H11 PolarHBondContact O-N 3.36Å
10	S	28	Very low	38.1	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	71%	0.714	S	S	*	*			trans	-54.4	118.3	169.3	55.3	0	0	0	0	110	D8 S12	D8-S10 PolarHBondContact O-N 3.45Å; S10-S12 PolarHBondContact O-N 3.45Å
11	H	30.5	Very low	38.5	Very low	194 Å²	194	120.6 Å²	120.6	90%	0.898	71%	0.707	S	S	*	*			trans	-48.1	106	164.5	-80.5	-74.7	0	0	0	110.2	S9 G13	S9-H11 PolarHBondContact O-N 3.36Å; H11-G13 VanDerWaalsContact C-N 3.26Å; H11-G13 PolarHBondContact O-N 2.7Å
12	S	32.6	Very low	38.6	Very low	114 Å²	114	117.4 Å²	117.4	80%	0.797	69%	0.686	S	S	*	*			trans	-77.7	75.9	174.8	61.4	0	0	0	0	110.2	S10 S14	S10-S12 PolarHBondContact O-N 3.45Å; S12-S14 PolarHBondContact O-N 3.23Å
13	G	37.2	Very low	39.7	Very low	67 Å²	67	113.4 Å²	113.4	69%	0.691	66%	0.664	S	S	*	*			trans	-74	76.1	159.9	0	0	0	0	0	109.1	H11 I15	H11-G13 VanDerWaalsContact C-N 3.26Å; H11-G13 PolarHBondContact O-N 2.7Å; G13-I15 PolarHBondContact O-N 3.4Å
14	S	40.7	Very low	40.8	Very low	99 Å²	99	112.7 Å²	112.7	69%	0.692	65%	0.652	S	S	*	*			trans	-70.8	93.3	177.1	176.4	0	0	0	0	109.4	S12 R16	S12-S14 PolarHBondContact O-N 3.23Å; S14-R16 PolarHBondContact O-N 3.3Å; S14-R16 VanDerWaalsContact O-N 3.1Å
15	I	51.6	Low	42.4	Very low	80 Å²	80	109.9 Å²	109.9	41%	0.41	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-54.1	117.2	170.5	-65.5	170	0	0	0	108.3	G13 K17 V121 P122	G13-I15 PolarHBondContact O-N 3.4Å; I15-K17 PolarHBondContact O-N 2.85Å; I15-V121 HydrophobicContact CG2-CG1 4.19Å; I15-P122 HydrophobicContact CD1-CG 4.14Å; I15-P122 HydrophobicContact CG1-CG 4.29Å; I15-P122 HydrophobicContact CG2-CB 4.33Å; I15-P122 HydrophobicContact CG2-CG 3.73Å
16	R	59.8	Low	44.2	Very low	97 Å²	97	108.6 Å²	108.6	37%	0.366	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-68.5	127.1	-178.8	-67.7	172.6	176.4	-170.2	-14.6	109.4	S14 E137 L138 E141	S14-R16 PolarHBondContact O-N 3.3Å; S14-R16 VanDerWaalsContact O-N 3.1Å; R16-E137 IonicContact CZ-OE2 3.73Å; R16-E137 IonicContact NH1-OE2 3.6Å; R16-E137 PolarHBondContact NH1-OE2 3Å; R16-E137 IonicContact NH2-OE2 3.46Å; R16-E137 PolarHBondContact NH2-OE2 2.68Å; R16-L138 HydrophobicContact CB-CD1 4.19Å; R16-L138 WeakPolarHBondContact O-CD1 3.13Å; R16-E141 WeakPolarHBondContact CD-OE2 3.42Å
17	K	57.2	Low	46.2	Very low	188 Å²	188	104.7 Å²	104.7	82%	0.817	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-81.3	142.9	179.5	-64.6	-174.5	179.6	179.9	0	109.9	I15	I15-K17 PolarHBondContact O-N 2.85Å
18	G	56.7	Low	48.1	Very low	21 Å²	21	99 Å²	99	22%	0.216	56%	0.559	C	S	.	*			trans	-67	-174.3	170.7	0	0	0	0	0	111.8
19	C	56.8	Low	50.2	Low	53 Å²	53	95.7 Å²	95.7	36%	0.358	54%	0.537	S	S	.	.			trans	-59.7	144.2	170.5	-95.3	0	0	0	0	110.7	P21 T128 S130	C19-P21 VanDerWaalsContact O-CD 3.3Å; C19-P21 WeakPolarHBondContact O-CD 3.39Å; C19-T128 PolarHBondContact N-O 3.17Å; C19-S130 WeakPolarHBondContact SG-CA 3.31Å; C19-S130 WeakPolarHBondContact SG-CB 3.2Å
20	D	52.6	Low	52.4	Low	90 Å²	90	91.1 Å²	91.1	48%	0.481	50%	0.504	S	S	.	.			trans	-57.3	119.5	170.7	177.5	7.9	0	0	0	109.5	F22 A23	D20-F22 PolarHBondContact O-N 2.73Å; D20-F22 VanDerWaalsContact O-N 3.1Å; D20-F22 PolarHBondContact OD1-N 3.27Å; D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 PolarHBondContact O-N 3.47Å
21	P	45.8	Very low	54.5	Low	85 Å²	85	87.2 Å²	87.2	55%	0.552	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.9	176.8	-22.4	32.8	0	0	0	113.4	C19	C19-P21 VanDerWaalsContact O-CD 3.3Å; C19-P21 WeakPolarHBondContact O-CD 3.39Å
22	F	42.6	Very low	56.6	Low	175 Å²	175	82.5 Å²	82.5	77%	0.768	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-12.1	179.6	-62	-76.6	0	0	0	113.7	D20 Q24	D20-F22 PolarHBondContact O-N 2.73Å; D20-F22 VanDerWaalsContact O-N 3.1Å; D20-F22 PolarHBondContact OD1-N 3.27Å; F22-Q24 VanDerWaalsContact C-N 3.28Å; F22-Q24 PolarHBondContact O-N 3.29Å
23	A	50	Low	58.9	Low	48 Å²	48	83.2 Å²	83.2	40%	0.397	44%	0.438	S	S	.	.			trans	-76.4	80.2	170.6	0	0	0	0	0	109.7	D20 T25 S28	D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 PolarHBondContact O-N 3.47Å; A23-T25 PolarHBondContact O-N 2.88Å; A23-S28 PolarHBondContact O-OG 3.43Å
24	Q	50.6	Low	60.8	Low	126 Å²	126	80.7 Å²	80.7	59%	0.589	41%	0.408	S	S	*	.			trans	-75.4	64.3	-176	-61.8	-171.3	2.6	0	0	113.5	F22 K29	F22-Q24 VanDerWaalsContact C-N 3.28Å; F22-Q24 PolarHBondContact O-N 3.29Å; Q24-K29 HydrophobicContact CB-CG 4.19Å; Q24-K29 WeakPolarHBondContact O-CE 3.22Å; Q24-K29 VanDerWaalsContact OE1-CE 3.24Å
25	T	63.1	Low	62.5	Low	73 Å²	73	77.3 Å²	77.3	45%	0.448	39%	0.386	S	S	.	.			trans	-57.7	152.5	164	67.4	0	0	0	0	110.6	A23 R27 S28 K29	A23-T25 PolarHBondContact O-N 2.88Å; T25-R27 PolarHBondContact O-N 2.96Å; T25-R27 VanDerWaalsContact O-N 3.08Å; T25-S28 PolarHBondContact N-OG 3.48Å; T25-S28 PolarHBondContact O-N 3.37Å; T25-S28 PolarHBondContact O-OG 3.46Å; T25-S28 PolarHBondContact OG1-N 3.2Å; T25-S28 VanDerWaalsContact OG1-N 3.12Å; T25-S28 PolarHBondContact OG1-OG 3.16Å; T25-K29 PolarHBondContact O-N 3.39Å
26	Q	64.4	Low	64	Low	137 Å²	137	81.3 Å²	81.3	64%	0.64	40%	0.395	S	S	*	.	H	α-helix	trans	-52.8	-33.5	175.1	-69.4	-67.7	-7	0	0	112.2	L30	Q26-L30 WeakPolarHBondContact O-CB 3.4Å; Q26-L30 PolarHBondContact O-N 3.07Å
27	R	69.8	Low	65.2	Low	40 Å²	40	76.9 Å²	76.9	15%	0.151	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-45.7	176.7	-66.3	162.4	-176.3	129.9	7.5	113	T25 L30 Q31 V94 Q96	T25-R27 PolarHBondContact O-N 2.96Å; T25-R27 VanDerWaalsContact O-N 3.08Å; R27-L30 PolarHBondContact O-N 3.29Å; R27-Q31 PolarHBondContact O-N 2.95Å; R27-Q31 VanDerWaalsContact O-N 3.08Å; R27-V94 HydrophobicContact CB-CG1 4.16Å; R27-V94 HydrophobicContact CG-CG1 3.38Å; R27-V94 WeakPolarHBondContact CG-O 3.3Å; R27-V94 VanDerWaalsContact CZ-O 3.27Å; R27-V94 PolarHBondContact NE-O 3.33Å; R27-V94 PolarHBondContact NH2-O 3.49Å; R27-V94 VanDerWaalsContact NH2-O 3.1Å; R27-Q96 PolarHBondContact NH2-O 2.76Å
28	S	66.6	Low	66.4	Low	16 Å²	16	68.2 Å²	68.2	11%	0.112	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-36.7	176.8	51.5	0	0	0	0	111.6	A23 T25 L30 Q31 H32	A23-S28 PolarHBondContact O-OG 3.43Å; T25-S28 PolarHBondContact N-OG 3.48Å; T25-S28 PolarHBondContact O-N 3.37Å; T25-S28 PolarHBondContact O-OG 3.46Å; T25-S28 PolarHBondContact OG1-N 3.2Å; T25-S28 VanDerWaalsContact OG1-N 3.12Å; T25-S28 PolarHBondContact OG1-OG 3.16Å; S28-L30 PolarHBondContact O-N 2.97Å; S28-Q31 PolarHBondContact O-N 2.84Å; S28-H32 PolarHBondContact O-CD2 3.27Å; S28-H32 PolarHBondContact O-N 2.86Å
29	K	70.5	Confident	67.6	Low	91 Å²	91	73 Å²	73	40%	0.396	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-44.8	171.3	-68.3	-179.5	-177.4	-179.6	0	112.1	Q24 T25 H32 R33	Q24-K29 HydrophobicContact CB-CG 4.19Å; Q24-K29 WeakPolarHBondContact O-CE 3.22Å; Q24-K29 VanDerWaalsContact OE1-CE 3.24Å; T25-K29 PolarHBondContact O-N 3.39Å; K29-H32 PolarHBondContact O-N 2.99Å; K29-R33 WeakPolarHBondContact O-CB 3.39Å; K29-R33 PolarHBondContact O-N 3.16Å
30	L	72.9	Confident	69	Low	13 Å²	13	73.8 Å²	73.8	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-42.9	178.6	-167.5	146.1	0	0	0	111.5	Q26 R27 S28 R33 R34 L88 N91 V94	Q26-L30 WeakPolarHBondContact O-CB 3.4Å; Q26-L30 PolarHBondContact O-N 3.07Å; R27-L30 PolarHBondContact O-N 3.29Å; S28-L30 PolarHBondContact O-N 2.97Å; L30-R33 PolarHBondContact O-N 2.99Å; L30-R34 HydrophobicContact CD2-CG 4.29Å; L30-R34 WeakPolarHBondContact O-CG 3.34Å; L30-R34 PolarHBondContact O-N 2.77Å; L30-L88 HydrophobicContact CG-CD2 4.4Å; L30-N91 HydrophobicContact CD1-CB 3.98Å; L30-V94 HydrophobicContact CD1-CB 4.34Å; L30-V94 HydrophobicContact CD1-CG1 4.33Å; L30-V94 HydrophobicContact CD1-CG2 3.99Å
31	Q	72.5	Confident	70.5	Confident	25 Å²	25	69.8 Å²	69.8	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175.6	-171.4	169.7	-4.3	0	0	112.5	R27 S28 R33 R34 A35 R127	R27-Q31 PolarHBondContact O-N 2.95Å; R27-Q31 VanDerWaalsContact O-N 3.08Å; S28-Q31 PolarHBondContact O-N 2.84Å; Q31-R33 VanDerWaalsContact C-N 3.31Å; Q31-R33 PolarHBondContact O-N 2.87Å; Q31-R34 PolarHBondContact O-N 3.33Å; Q31-A35 WeakPolarHBondContact O-CB 3.43Å; Q31-A35 PolarHBondContact O-N 3.04Å; Q31-R127 PolarHBondContact NE2-O 3.09Å; Q31-R127 VanDerWaalsContact NE2-O 3.12Å
32	H	75.2	Confident	72.2	Confident	95 Å²	95	66.5 Å²	66.5	44%	0.44	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-37.2	174.3	-74	-52.4	0	0	0	112.6	S28 K29 A35 R36	S28-H32 PolarHBondContact O-CD2 3.27Å; S28-H32 PolarHBondContact O-N 2.86Å; K29-H32 PolarHBondContact O-N 2.99Å; H32-A35 PolarHBondContact O-N 2.87Å; H32-R36 WeakPolarHBondContact O-CB 3.48Å; H32-R36 PolarHBondContact O-N 3.31Å
33	R	79.9	Confident	74.3	Confident	129 Å²	129	64 Å²	64	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-44.7	176.3	-166.8	177.5	174.9	-179.3	-0.2	111.6	K29 L30 Q31 A35 R36 I37 E84 L88	K29-R33 WeakPolarHBondContact O-CB 3.39Å; K29-R33 PolarHBondContact O-N 3.16Å; L30-R33 PolarHBondContact O-N 2.99Å; Q31-R33 VanDerWaalsContact C-N 3.31Å; Q31-R33 PolarHBondContact O-N 2.87Å; R33-A35 VanDerWaalsContact C-N 3.35Å; R33-A35 PolarHBondContact O-N 3.26Å; R33-R36 PolarHBondContact O-N 2.85Å; R33-I37 HydrophobicContact CG-CD1 4.09Å; R33-I37 WeakPolarHBondContact O-CG1 3.12Å; R33-I37 PolarHBondContact O-N 3.01Å; R33-E84 IonicContact CZ-OE1 3.55Å; R33-E84 VanDerWaalsContact CZ-OE1 3.29Å; R33-E84 IonicContact NE-OE1 3.7Å; R33-E84 PolarHBondContact NE-OE1 2.79Å; R33-E84 IonicContact NH2-OE1 3.1Å; R33-E84 PolarHBondContact NH2-OE1 3.41Å; R33-L88 HydrophobicContact CB-CD1 4.15Å; R33-L88 HydrophobicContact CG-CD1 3.82Å
34	R	78.6	Confident	76.1	Confident	14 Å²	14	62.9 Å²	62.9	5%	0.053	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-47.3	173.3	-72.8	-174.9	-173.2	-177	5.3	111.3	L30 Q31 R36 I37 N38 L85 L88 N89 E113	L30-R34 HydrophobicContact CD2-CG 4.29Å; L30-R34 WeakPolarHBondContact O-CG 3.34Å; L30-R34 PolarHBondContact O-N 2.77Å; Q31-R34 PolarHBondContact O-N 3.33Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.21Å; R34-I37 PolarHBondContact O-N 2.73Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 PolarHBondContact O-N 3.17Å; R34-N38 PolarHBondContact O-ND2 2.93Å; R34-L85 HydrophobicContact CB-CD1 4.21Å; R34-L85 HydrophobicContact CG-CD1 4.04Å; R34-L88 HydrophobicContact CG-CB 3.97Å; R34-L88 HydrophobicContact CG-CD1 3.87Å; R34-L88 PolarHBondContact NH2-O 3.34Å; R34-N89 WeakPolarHBondContact CD-OD1 3.35Å; R34-N89 PolarHBondContact NE-OD1 3.46Å; R34-N89 VanDerWaalsContact NE-OD1 3.12Å; R34-N89 PolarHBondContact NH1-OD1 2.98Å; R34-N89 VanDerWaalsContact NH1-OD1 3.13Å; R34-E113 WeakPolarHBondContact CB-OE1 3.15Å
35	A	76.1	Confident	77.7	Confident	28 Å²	28	60.5 Å²	60.5	23%	0.231	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-42.5	176.3	0	0	0	0	0	113.1	Q31 H32 R33 N38 Q39 E113	Q31-A35 WeakPolarHBondContact O-CB 3.43Å; Q31-A35 PolarHBondContact O-N 3.04Å; H32-A35 PolarHBondContact O-N 2.87Å; R33-A35 VanDerWaalsContact C-N 3.35Å; R33-A35 PolarHBondContact O-N 3.26Å; A35-N38 PolarHBondContact O-N 3.11Å; A35-Q39 VanDerWaalsContact O-CG 3.31Å; A35-Q39 WeakPolarHBondContact O-CG 3.33Å; A35-Q39 PolarHBondContact O-N 2.94Å; A35-E113 WeakPolarHBondContact CA-OE2 3.27Å; A35-E113 PolarHBondContact N-OE1 3.37Å; A35-E113 PolarHBondContact N-OE2 3.19Å
36	R	83.1	Confident	78.8	Confident	164 Å²	164	65.6 Å²	65.6	62%	0.619	29%	0.289	S	S	*	.	H	α-helix	trans	-64.3	-44.3	176.7	-174.6	179.6	178.1	-179.4	0	112	H32 R33 R34 Q39 Q40	H32-R36 WeakPolarHBondContact O-CB 3.48Å; H32-R36 PolarHBondContact O-N 3.31Å; R33-R36 PolarHBondContact O-N 2.85Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.21Å; R36-Q39 WeakPolarHBondContact O-CB 3.45Å; R36-Q39 PolarHBondContact O-N 3.24Å; R36-Q40 WeakPolarHBondContact O-CG 3.5Å; R36-Q40 PolarHBondContact O-N 3.29Å
37	I	84.9	Confident	80	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-44.1	178.2	-68.7	161.6	0	0	0	110.3	R33 R34 Q39 Q40 I41 L81 E84 L85 L88	R33-I37 HydrophobicContact CG-CD1 4.09Å; R33-I37 WeakPolarHBondContact O-CG1 3.12Å; R33-I37 PolarHBondContact O-N 3.01Å; R34-I37 PolarHBondContact O-N 2.73Å; I37-Q39 VanDerWaalsContact C-N 3.28Å; I37-Q39 PolarHBondContact O-N 3.14Å; I37-Q40 CarbonylContact O-C 3.29Å; I37-Q40 WeakPolarHBondContact O-CA 3.36Å; I37-Q40 WeakPolarHBondContact O-CB 3.28Å; I37-Q40 PolarHBondContact O-N 3.37Å; I37-I41 HydrophobicContact CG2-CD1 3.81Å; I37-I41 HydrophobicContact CG2-CG1 4.21Å; I37-I41 WeakPolarHBondContact O-CG1 3.23Å; I37-I41 PolarHBondContact O-N 2.73Å; I37-L81 HydrophobicContact CG2-CB 4.37Å; I37-L81 HydrophobicContact CG2-CD2 4.36Å; I37-L81 WeakPolarHBondContact CG2-O 3.36Å; I37-E84 HydrophobicContact CD1-CB 4.25Å; I37-E84 VanDerWaalsContact CD1-CD 3.48Å; I37-E84 HydrophobicContact CD1-CG 3.67Å; I37-L85 HydrophobicContact CG2-CB 3.92Å; I37-L85 HydrophobicContact CG2-CD1 4.44Å; I37-L88 HydrophobicContact CD1-CD1 3.39Å
38	N	82.3	Confident	81	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.032	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-37.4	175.5	-80.7	-29.7	0	0	0	112.6	R34 A35 N42 L85 E113 Y167 G172	R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 PolarHBondContact O-N 3.17Å; R34-N38 PolarHBondContact O-ND2 2.93Å; A35-N38 PolarHBondContact O-N 3.11Å; N38-N42 WeakPolarHBondContact O-CB 3.39Å; N38-N42 PolarHBondContact O-N 2.95Å; N38-L85 VanDerWaalsContact OD1-CD2 3.26Å; N38-L85 WeakPolarHBondContact OD1-CD2 3.29Å; N38-E113 PolarHBondContact ND2-OE2 3.08Å; N38-Y167 HydrophobicContact CB-CD1 3.85Å; N38-Y167 HydrophobicContact CB-CE1 3.79Å; N38-Y167 HydrophobicContact CB-CG 4.39Å; N38-G172 WeakPolarHBondContact OD1-CA 3.38Å
39	Q	81.9	Confident	82.1	Confident	121 Å²	121	66.3 Å²	66.3	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-64.6	-40.8	172.3	-73.6	175.2	0.1	0	0	112.4	A35 R36 I37 N42 K43	A35-Q39 VanDerWaalsContact O-CG 3.31Å; A35-Q39 WeakPolarHBondContact O-CG 3.33Å; A35-Q39 PolarHBondContact O-N 2.94Å; R36-Q39 WeakPolarHBondContact O-CB 3.45Å; R36-Q39 PolarHBondContact O-N 3.24Å; I37-Q39 VanDerWaalsContact C-N 3.28Å; I37-Q39 PolarHBondContact O-N 3.14Å; Q39-N42 WeakPolarHBondContact O-CB 3.46Å; Q39-N42 PolarHBondContact O-N 2.66Å; Q39-K43 PolarHBondContact O-N 3.34Å
40	Q	85.9	Confident	83.1	Confident	71 Å²	71	63.9 Å²	63.9	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-46.6	176.5	-71	173.1	-29.8	0	0	111.6	R36 I37 N42 K43 E44 L81	R36-Q40 WeakPolarHBondContact O-CG 3.5Å; R36-Q40 PolarHBondContact O-N 3.29Å; I37-Q40 CarbonylContact O-C 3.29Å; I37-Q40 WeakPolarHBondContact O-CA 3.36Å; I37-Q40 WeakPolarHBondContact O-CB 3.28Å; I37-Q40 PolarHBondContact O-N 3.37Å; Q40-N42 PolarHBondContact O-N 3.36Å; Q40-K43 WeakPolarHBondContact O-CA 3.2Å; Q40-K43 WeakPolarHBondContact O-CB 3.42Å; Q40-K43 PolarHBondContact O-N 2.87Å; Q40-E44 WeakPolarHBondContact O-CG 3.3Å; Q40-E44 PolarHBondContact O-N 3.08Å; Q40-L81 HydrophobicContact CB-CD1 3.8Å; Q40-L81 HydrophobicContact CB-CD2 4.01Å; Q40-L81 VanDerWaalsContact OE1-CD2 3.32Å
41	I	83.8	Confident	83.9	Confident	5 Å²	5	64 Å²	64	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-54.8	-44	174.2	-68.8	172.1	0	0	0	110.1	I37 K43 E44 M45 L78 L81 K82 L85	I37-I41 HydrophobicContact CG2-CD1 3.81Å; I37-I41 HydrophobicContact CG2-CG1 4.21Å; I37-I41 WeakPolarHBondContact O-CG1 3.23Å; I37-I41 PolarHBondContact O-N 2.73Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 2.89Å; I41-E44 PolarHBondContact O-N 2.8Å; I41-M45 HydrophobicContact CG2-CG 4.18Å; I41-M45 WeakPolarHBondContact O-CB 3.32Å; I41-M45 VanDerWaalsContact O-CG 3.29Å; I41-M45 WeakPolarHBondContact O-CG 3.23Å; I41-M45 PolarHBondContact O-N 3.39Å; I41-L78 HydrophobicContact CG2-CD2 4.17Å; I41-L81 HydrophobicContact CD1-CB 4.22Å; I41-L81 HydrophobicContact CG1-CB 3.61Å; I41-L81 HydrophobicContact CG1-CD1 4.2Å; I41-K82 HydrophobicContact CD1-CG 4.35Å; I41-L85 HydrophobicContact CD1-CB 4.45Å; I41-L85 HydrophobicContact CD1-CD2 3.95Å
42	N	81.8	Confident	84.9	Confident	17 Å²	17	65.1 Å²	65.1	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-33.5	176.1	-96.2	-15.1	0	0	0	114.3	N38 Q39 Q40 R46 Y167 P174	N38-N42 WeakPolarHBondContact O-CB 3.39Å; N38-N42 PolarHBondContact O-N 2.95Å; Q39-N42 WeakPolarHBondContact O-CB 3.46Å; Q39-N42 PolarHBondContact O-N 2.66Å; Q40-N42 PolarHBondContact O-N 3.36Å; N42-R46 WeakPolarHBondContact O-CG 3.45Å; N42-R46 PolarHBondContact O-N 2.9Å; N42-R46 PolarHBondContact O-NE 3.07Å; N42-Y167 WeakPolarHBondContact ND2-CE1 3.11Å; N42-Y167 PolarHBondContact ND2-OH 2.7Å; N42-P174 VanDerWaalsContact OD1-CB 3.31Å; N42-P174 WeakPolarHBondContact OD1-CB 2.87Å; N42-P174 WeakPolarHBondContact OD1-CG 3.4Å
43	K	85.9	Confident	85.7	Confident	121 Å²	121	65.4 Å²	65.4	53%	0.526	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-50.6	174.5	-173.3	-172.5	174.5	-169.7	0	109.7	Q39 Q40 I41 M45 R46 M47	Q39-K43 PolarHBondContact O-N 3.34Å; Q40-K43 WeakPolarHBondContact O-CA 3.2Å; Q40-K43 WeakPolarHBondContact O-CB 3.42Å; Q40-K43 PolarHBondContact O-N 2.87Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 2.89Å; K43-M45 PolarHBondContact O-N 2.8Å; K43-R46 PolarHBondContact O-N 2.73Å; K43-M47 HydrophobicContact CG-CE 4.3Å; K43-M47 WeakPolarHBondContact O-CG 3.2Å; K43-M47 PolarHBondContact O-N 2.84Å
44	E	87.7	Confident	86.2	Confident	26 Å²	26	63.3 Å²	63.3	12%	0.121	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-42.2	-179.9	-65.6	-57.3	138.6	0	0	112.5	Q40 I41 R46 M47 R48 V74 N77 L78 L81	Q40-E44 WeakPolarHBondContact O-CG 3.3Å; Q40-E44 PolarHBondContact O-N 3.08Å; I41-E44 PolarHBondContact O-N 2.8Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.26Å; E44-M47 HydrophobicContact CG-CE 4.3Å; E44-M47 PolarHBondContact O-N 2.91Å; E44-M47 WeakPolarHBondContact OE1-CE 3.44Å; E44-M47 WeakPolarHBondContact OE2-CE 3.35Å; E44-R48 WeakPolarHBondContact O-CB 3.07Å; E44-R48 PolarHBondContact O-N 3.49Å; E44-V74 HydrophobicContact CB-CG1 4.38Å; E44-V74 WeakPolarHBondContact O-CG1 3.47Å; E44-N77 HydrophobicContact CG-CB 4.42Å; E44-L78 HydrophobicContact CB-CD1 4.39Å; E44-L78 HydrophobicContact CB-CD2 3.4Å; E44-L78 VanDerWaalsContact CB-CD2 3.4Å; E44-L78 HydrophobicContact CB-CG 3.62Å; E44-L78 HydrophobicContact CG-CD2 4.43Å; E44-L81 HydrophobicContact CG-CD1 3.81Å
45	M	84.6	Confident	86.8	Confident	76 Å²	76	65.9 Å²	65.9	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-38.4	175.5	-77.8	-65.8	-66	0	0	112.4	I41 K43 A49 L78	I41-M45 HydrophobicContact CG2-CG 4.18Å; I41-M45 WeakPolarHBondContact O-CB 3.32Å; I41-M45 VanDerWaalsContact O-CG 3.29Å; I41-M45 WeakPolarHBondContact O-CG 3.23Å; I41-M45 PolarHBondContact O-N 3.39Å; K43-M45 PolarHBondContact O-N 2.8Å; M45-A49 PolarHBondContact O-N 3.3Å; M45-L78 HydrophobicContact CG-CD1 4.49Å; M45-L78 HydrophobicContact CG-CD2 3.82Å; M45-L78 HydrophobicContact SD-CD1 3.88Å; M45-L78 HydrophobicContact SD-CD2 4.07Å
46	R	86.8	Confident	87.5	Confident	180 Å²	180	73.7 Å²	73.7	68%	0.679	34%	0.344	S	S	*	.	H	α-helix	trans	-69.3	-41.5	175.5	-76.5	-175.3	-70.4	163.1	-2.3	111.8	N42 K43 E44 R48 A49 G50	N42-R46 WeakPolarHBondContact O-CG 3.45Å; N42-R46 PolarHBondContact O-N 2.9Å; N42-R46 PolarHBondContact O-NE 3.07Å; K43-R46 PolarHBondContact O-N 2.73Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.26Å; R46-R48 VanDerWaalsContact C-N 3.33Å; R46-A49 PolarHBondContact O-N 2.86Å; R46-G50 PolarHBondContact O-N 3.47Å
47	M	89.4	Confident	87.9	Confident	78 Å²	78	69.6 Å²	69.6	38%	0.384	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-42.6	175.2	-67.5	-169.7	-56.5	0	0	110.9	K43 E44 G50 A51 V74	K43-M47 HydrophobicContact CG-CE 4.3Å; K43-M47 WeakPolarHBondContact O-CG 3.2Å; K43-M47 PolarHBondContact O-N 2.84Å; E44-M47 HydrophobicContact CG-CE 4.3Å; E44-M47 PolarHBondContact O-N 2.91Å; E44-M47 WeakPolarHBondContact OE1-CE 3.44Å; E44-M47 WeakPolarHBondContact OE2-CE 3.35Å; M47-G50 PolarHBondContact O-N 3.07Å; M47-A51 WeakPolarHBondContact O-CB 3.39Å; M47-A51 PolarHBondContact O-N 3.43Å; M47-V74 HydrophobicContact CB-CG2 4.36Å
48	R	91.3	Very high	88.2	Confident	83 Å²	83	70.9 Å²	70.9	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-57.1	-51.4	174	-172.6	-174.4	160.4	165.1	-4.6	111.8	E44 R46 G50 A51 E52 L71 V74 N75 L78	E44-R48 WeakPolarHBondContact O-CB 3.07Å; E44-R48 PolarHBondContact O-N 3.49Å; R46-R48 VanDerWaalsContact C-N 3.33Å; R48-G50 VanDerWaalsContact C-N 3.31Å; R48-G50 PolarHBondContact O-N 3.01Å; R48-A51 PolarHBondContact O-N 2.96Å; R48-E52 HydrophobicContact CG-CG 4.46Å; R48-E52 IonicContact CZ-OE1 2.94Å; R48-E52 IonicContact NE-OE1 2.75Å; R48-E52 PolarHBondContact NE-OE1 2.81Å; R48-E52 IonicContact NH2-OE1 3.56Å; R48-E52 PolarHBondContact NH2-OE1 3.42Å; R48-E52 WeakPolarHBondContact O-CB 3.5Å; R48-E52 WeakPolarHBondContact O-CG 3Å; R48-E52 PolarHBondContact O-N 2.86Å; R48-L71 HydrophobicContact CG-CD1 3.7Å; R48-V74 HydrophobicContact CB-CG1 3.69Å; R48-V74 HydrophobicContact CG-CG1 4.44Å; R48-N75 WeakPolarHBondContact CD-OD1 3.28Å; R48-N75 PolarHBondContact NE-OD1 3.24Å; R48-N75 PolarHBondContact NH1-OD1 3.01Å; R48-L78 HydrophobicContact CB-CD1 4.3Å
49	A	89.5	Confident	88.7	Confident	46 Å²	46	77.2 Å²	77.2	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-61.6	-40.3	179.2	0	0	0	0	0	112	M45 R46 N53	M45-A49 PolarHBondContact O-N 3.3Å; R46-A49 PolarHBondContact O-N 2.86Å; A49-N53 WeakPolarHBondContact O-CB 3.31Å; A49-N53 PolarHBondContact O-N 2.86Å; A49-N53 PolarHBondContact O-ND2 2.85Å
50	G	90.9	Very high	89.3	Confident	40 Å²	40	75.6 Å²	75.6	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-46.2	173.7	0	0	0	0	0	112.6	R46 M47 R48 N53 L54	R46-G50 PolarHBondContact O-N 3.47Å; M47-G50 PolarHBondContact O-N 3.07Å; R48-G50 VanDerWaalsContact C-N 3.31Å; R48-G50 PolarHBondContact O-N 3.01Å; G50-N53 PolarHBondContact O-N 2.95Å; G50-L54 WeakPolarHBondContact O-CB 3.46Å; G50-L54 PolarHBondContact O-N 3.25Å
51	A	90.5	Very high	89.6	Confident	15 Å²	15	77.7 Å²	77.7	12%	0.124	40%	0.402	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.7	0	0	0	0	0	112	M47 R48 N53 L54 F55 V67 L71	M47-A51 WeakPolarHBondContact O-CB 3.39Å; M47-A51 PolarHBondContact O-N 3.43Å; R48-A51 PolarHBondContact O-N 2.96Å; A51-N53 VanDerWaalsContact C-N 3.34Å; A51-N53 PolarHBondContact O-N 3.46Å; A51-L54 PolarHBondContact O-N 3.47Å; A51-F55 VanDerWaalsContact O-CB 3.29Å; A51-F55 WeakPolarHBondContact O-CB 3.49Å; A51-F55 PolarHBondContact O-N 2.93Å; A51-V67 HydrophobicContact CB-CG1 4.15Å; A51-V67 WeakPolarHBondContact O-CG1 3.42Å; A51-L71 HydrophobicContact CB-CD1 4.1Å
52	E	92.1	Very high	90	Very high	50 Å²	50	85.1 Å²	85.1	23%	0.234	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-42.1	176	-74.4	179.9	-177.9	0	0	111.9	R48 F55 R56 L71	R48-E52 HydrophobicContact CG-CG 4.46Å; R48-E52 IonicContact CZ-OE1 2.94Å; R48-E52 IonicContact NE-OE1 2.75Å; R48-E52 PolarHBondContact NE-OE1 2.81Å; R48-E52 IonicContact NH2-OE1 3.56Å; R48-E52 PolarHBondContact NH2-OE1 3.42Å; R48-E52 WeakPolarHBondContact O-CB 3.5Å; R48-E52 WeakPolarHBondContact O-CG 3Å; R48-E52 PolarHBondContact O-N 2.86Å; E52-F55 PolarHBondContact O-N 2.86Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.18Å; E52-R56 PolarHBondContact O-N 2.71Å; E52-L71 HydrophobicContact CG-CD1 3.77Å; E52-L71 HydrophobicContact CG-CD2 4.25Å
53	N	92.3	Very high	90.4	Very high	100 Å²	100	87 Å²	87	54%	0.535	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-44.2	176.1	-73.5	-24	0	0	0	111.6	A49 G50 A51 R56 A57	A49-N53 WeakPolarHBondContact O-CB 3.31Å; A49-N53 PolarHBondContact O-N 2.86Å; A49-N53 PolarHBondContact O-ND2 2.85Å; G50-N53 PolarHBondContact O-N 2.95Å; A51-N53 VanDerWaalsContact C-N 3.34Å; A51-N53 PolarHBondContact O-N 3.46Å; N53-R56 PolarHBondContact O-N 2.53Å; N53-A57 VanDerWaalsContact O-CB 3.3Å; N53-A57 WeakPolarHBondContact O-CB 3.04Å; N53-A57 PolarHBondContact O-N 2.95Å
54	L	91.1	Very high	90.6	Very high	85 Å²	85	85 Å²	85	45%	0.445	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-41.3	177.3	-176.8	60.2	0	0	0	111.6	G50 A51 R56 A57 T58 V67	G50-L54 WeakPolarHBondContact O-CB 3.46Å; G50-L54 PolarHBondContact O-N 3.25Å; A51-L54 PolarHBondContact O-N 3.47Å; L54-R56 VanDerWaalsContact C-N 3.3Å; L54-R56 PolarHBondContact O-N 2.72Å; L54-A57 PolarHBondContact O-N 2.81Å; L54-T58 VanDerWaalsContact O-CB 3.22Å; L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 2.77Å; L54-T58 PolarHBondContact O-OG1 3.19Å; L54-V67 HydrophobicContact CD2-CG2 3.66Å; L54-V67 HydrophobicContact CG-CG2 3.99Å
55	F	91	Very high	90.9	Very high	69 Å²	69	90 Å²	90	30%	0.303	46%	0.461	S	S	.	.	H	α-helix	trans	-59.8	-40.1	176.1	-171.9	-93.9	0	0	0	112.1	A51 E52 K64 V67 A68	A51-F55 VanDerWaalsContact O-CB 3.29Å; A51-F55 WeakPolarHBondContact O-CB 3.49Å; A51-F55 PolarHBondContact O-N 2.93Å; E52-F55 PolarHBondContact O-N 2.86Å; F55-K64 HydrophobicContact CD2-CG 3.66Å; F55-K64 HydrophobicContact CE1-CG 4.49Å; F55-K64 HydrophobicContact CE2-CB 4.46Å; F55-K64 HydrophobicContact CE2-CD 4.19Å; F55-K64 HydrophobicContact CE2-CG 3.27Å; F55-K64 WeakPolarHBondContact CE2-O 3.49Å; F55-K64 HydrophobicContact CG-CG 4.42Å; F55-K64 HydrophobicContact CZ-CD 4.18Å; F55-K64 HydrophobicContact CZ-CG 3.76Å; F55-V67 HydrophobicContact CB-CG1 3.7Å; F55-V67 HydrophobicContact CD2-CB 4.26Å; F55-V67 HydrophobicContact CD2-CG1 4.07Å; F55-V67 HydrophobicContact CG-CG1 4.39Å; F55-A68 HydrophobicContact CE2-CB 3.98Å
56	R	91.1	Very high	91.3	Very high	191 Å²	191	90.4 Å²	90.4	72%	0.721	47%	0.467	S	S	*	.	H	α-helix	trans	-73.1	-34.7	176.4	-71.5	175.1	-172.1	177.2	6.3	112.7	E52 N53 L54	E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.18Å; E52-R56 PolarHBondContact O-N 2.71Å; N53-R56 PolarHBondContact O-N 2.53Å; L54-R56 VanDerWaalsContact C-N 3.3Å; L54-R56 PolarHBondContact O-N 2.72Å
57	A	92	Very high	91.5	Very high	79 Å²	79	82.4 Å²	82.4	65%	0.653	44%	0.438	S	S	*	.	H	α-helix	trans	-83.6	-26.4	-175.9	0	0	0	0	0	113.7	N53 L54	N53-A57 VanDerWaalsContact O-CB 3.3Å; N53-A57 WeakPolarHBondContact O-CB 3.04Å; N53-A57 PolarHBondContact O-N 2.95Å; L54-A57 PolarHBondContact O-N 2.81Å
58	T	91.4	Very high	91.6	Very high	29 Å²	29	80.7 Å²	80.7	18%	0.178	44%	0.436	C	S	.	.			trans	-81.2	134.3	-176.2	-88	0	0	0	0	112.3	L54 N60 V63 K64	L54-T58 VanDerWaalsContact O-CB 3.22Å; L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 2.77Å; L54-T58 PolarHBondContact O-OG1 3.19Å; T58-N60 HydrophobicContact CG2-CB 4.16Å; T58-N60 VanDerWaalsContact CG2-O 3.26Å; T58-N60 WeakPolarHBondContact CG2-O 3.47Å; T58-V63 HydrophobicContact CG2-CB 3.73Å; T58-V63 HydrophobicContact CG2-CG1 3.76Å; T58-K64 HydrophobicContact CG2-CB 4.33Å
59	T	91.3	Very high	91.7	Very high	140 Å²	140	82.6 Å²	82.6	86%	0.859	45%	0.452	S	S	*	.			trans	-101.3	-9.6	172.4	53.7	0	0	0	0	113.3
60	N	94.8	Very high	91.7	Very high	87 Å²	87	85.5 Å²	85.5	47%	0.465	46%	0.458	S	S	.	.			trans	-82.5	117	178.8	-176	-33.2	0	0	0	111.2	T58 K62 V63 K64	T58-N60 HydrophobicContact CG2-CB 4.16Å; T58-N60 VanDerWaalsContact CG2-O 3.26Å; T58-N60 WeakPolarHBondContact CG2-O 3.47Å; N60-K62 VanDerWaalsContact C-N 3.35Å; N60-K62 PolarHBondContact O-N 2.92Å; N60-K62 PolarHBondContact OD1-N 3.24Å; N60-V63 HydrophobicContact CB-CB 4.2Å; N60-V63 HydrophobicContact CB-CG2 4.05Å; N60-V63 PolarHBondContact O-N 2.93Å; N60-K64 WeakPolarHBondContact O-CB 3.24Å; N60-K64 PolarHBondContact O-N 3.44Å
61	N	91.7	Very high	91.7	Very high	115 Å²	115	85.2 Å²	85.2	62%	0.615	45%	0.447	S	S	*	.	H	α-helix	trans	-59.2	-38.2	-177.9	-84.8	-3.2	0	0	0	114.1	K64 E65	N61-K64 WeakPolarHBondContact O-CB 3.13Å; N61-K64 PolarHBondContact O-N 2.73Å; N61-E65 WeakPolarHBondContact O-CG 3.45Å; N61-E65 PolarHBondContact O-N 3.1Å
62	K	92.1	Very high	91.8	Very high	161 Å²	161	87.8 Å²	87.8	70%	0.7	46%	0.464	S	S	*	.	H	α-helix	trans	-65	-45.3	179.1	-69	-175.2	177.5	-177.7	0	111.3	N60 K64 E65 T66	N60-K62 VanDerWaalsContact C-N 3.35Å; N60-K62 PolarHBondContact O-N 2.92Å; N60-K62 PolarHBondContact OD1-N 3.24Å; K62-K64 VanDerWaalsContact C-N 3.28Å; K62-K64 PolarHBondContact O-N 2.94Å; K62-E65 PolarHBondContact O-N 3.02Å; K62-T66 PolarHBondContact O-N 2.82Å; K62-T66 PolarHBondContact O-OG1 2.73Å
63	V	90.6	Very high	91.8	Very high	56 Å²	56	91 Å²	91	34%	0.339	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-38.6	176.3	178.3	0	0	0	0	110.1	T58 N60 T66 V67	T58-V63 HydrophobicContact CG2-CB 3.73Å; T58-V63 HydrophobicContact CG2-CG1 3.76Å; N60-V63 HydrophobicContact CB-CB 4.2Å; N60-V63 HydrophobicContact CB-CG2 4.05Å; N60-V63 PolarHBondContact O-N 2.93Å; V63-T66 PolarHBondContact O-N 3.2Å; V63-V67 HydrophobicContact CG1-CG2 4.23Å; V63-V67 WeakPolarHBondContact O-CB 3.45Å; V63-V67 WeakPolarHBondContact O-CG2 3.17Å; V63-V67 PolarHBondContact O-N 2.97Å
64	K	91.2	Very high	91.7	Very high	79 Å²	79	86.7 Å²	86.7	34%	0.343	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-42.1	177.9	-163.6	171.9	-176.2	176.4	0	112.6	F55 T58 N60 N61 K62 V67 A68	F55-K64 HydrophobicContact CD2-CG 3.66Å; F55-K64 HydrophobicContact CE1-CG 4.49Å; F55-K64 HydrophobicContact CE2-CB 4.46Å; F55-K64 HydrophobicContact CE2-CD 4.19Å; F55-K64 HydrophobicContact CE2-CG 3.27Å; F55-K64 WeakPolarHBondContact CE2-O 3.49Å; F55-K64 HydrophobicContact CG-CG 4.42Å; F55-K64 HydrophobicContact CZ-CD 4.18Å; F55-K64 HydrophobicContact CZ-CG 3.76Å; T58-K64 HydrophobicContact CG2-CB 4.33Å; N60-K64 WeakPolarHBondContact O-CB 3.24Å; N60-K64 PolarHBondContact O-N 3.44Å; N61-K64 WeakPolarHBondContact O-CB 3.13Å; N61-K64 PolarHBondContact O-N 2.73Å; K62-K64 VanDerWaalsContact C-N 3.28Å; K62-K64 PolarHBondContact O-N 2.94Å; K64-V67 PolarHBondContact O-N 2.97Å; K64-A68 WeakPolarHBondContact O-CB 3.28Å; K64-A68 PolarHBondContact O-N 2.84Å
65	E	92.9	Very high	91.6	Very high	132 Å²	132	85.2 Å²	85.2	62%	0.617	45%	0.447	S	S	*	.	H	α-helix	trans	-63.5	-44.9	173.7	-74.9	170.4	-174.7	0	0	111.8	N61 K62 V67 A68 L69	N61-E65 WeakPolarHBondContact O-CG 3.45Å; N61-E65 PolarHBondContact O-N 3.1Å; K62-E65 PolarHBondContact O-N 3.02Å; E65-V67 PolarHBondContact O-N 3.27Å; E65-A68 WeakPolarHBondContact O-CB 3.4Å; E65-A68 PolarHBondContact O-N 3.1Å; E65-L69 PolarHBondContact O-N 3.43Å; E65-L69 VanDerWaalsContact O-N 3.1Å
66	T	92.9	Very high	91.6	Very high	83 Å²	83	84.9 Å²	84.9	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-60.7	-45.8	175.6	-51.1	0	0	0	0	111.6	K62 V63 A68 L69 E70	K62-T66 PolarHBondContact O-N 2.82Å; K62-T66 PolarHBondContact O-OG1 2.73Å; V63-T66 PolarHBondContact O-N 3.2Å; T66-A68 VanDerWaalsContact C-N 3.3Å; T66-A68 PolarHBondContact O-N 3.01Å; T66-L69 PolarHBondContact O-N 3.02Å; T66-E70 PolarHBondContact O-N 3.11Å
67	V	92.1	Very high	91.6	Very high	12 Å²	12	77.5 Å²	77.5	7%	0.073	43%	0.428	C	S	.	.	H	α-helix	trans	-65.2	-33.8	178.1	176.2	0	0	0	0	111.7	A51 L54 F55 V63 K64 E65 E70 L71	A51-V67 HydrophobicContact CB-CG1 4.15Å; A51-V67 WeakPolarHBondContact O-CG1 3.42Å; L54-V67 HydrophobicContact CD2-CG2 3.66Å; L54-V67 HydrophobicContact CG-CG2 3.99Å; F55-V67 HydrophobicContact CB-CG1 3.7Å; F55-V67 HydrophobicContact CD2-CB 4.26Å; F55-V67 HydrophobicContact CD2-CG1 4.07Å; F55-V67 HydrophobicContact CG-CG1 4.39Å; V63-V67 HydrophobicContact CG1-CG2 4.23Å; V63-V67 WeakPolarHBondContact O-CB 3.45Å; V63-V67 WeakPolarHBondContact O-CG2 3.17Å; V63-V67 PolarHBondContact O-N 2.97Å; K64-V67 PolarHBondContact O-N 2.97Å; E65-V67 PolarHBondContact O-N 3.27Å; V67-E70 PolarHBondContact O-N 3.19Å; V67-L71 VanDerWaalsContact O-CB 3.26Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 PolarHBondContact O-N 2.91Å
68	A	91.1	Very high	91.3	Very high	42 Å²	42	74 Å²	74	35%	0.347	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-40.7	174.8	0	0	0	0	0	112.6	F55 K64 E65 T66 L71 S72	F55-A68 HydrophobicContact CE2-CB 3.98Å; K64-A68 WeakPolarHBondContact O-CB 3.28Å; K64-A68 PolarHBondContact O-N 2.84Å; E65-A68 WeakPolarHBondContact O-CB 3.4Å; E65-A68 PolarHBondContact O-N 3.1Å; T66-A68 VanDerWaalsContact C-N 3.3Å; T66-A68 PolarHBondContact O-N 3.01Å; A68-L71 PolarHBondContact O-N 2.87Å; A68-S72 PolarHBondContact O-N 2.83Å
69	L	92.1	Very high	91	Very high	123 Å²	123	78.1 Å²	78.1	64%	0.644	42%	0.416	S	S	*	.	H	α-helix	trans	-66.2	-44	175.2	-69.6	171.4	0	0	0	111.6	E65 T66 L71 S72 F73	E65-L69 PolarHBondContact O-N 3.43Å; E65-L69 VanDerWaalsContact O-N 3.1Å; T66-L69 PolarHBondContact O-N 3.02Å; L69-L71 VanDerWaalsContact C-N 3.3Å; L69-L71 PolarHBondContact O-N 3.23Å; L69-S72 PolarHBondContact O-N 2.87Å; L69-S72 PolarHBondContact O-OG 3Å; L69-F73 PolarHBondContact O-N 3.39Å
70	E	90.8	Very high	90.8	Very high	108 Å²	108	76.1 Å²	76.1	51%	0.505	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-40.1	174.3	-71.2	-62.6	154.5	0	0	111.6	T66 V67 S72 F73 V74	T66-E70 PolarHBondContact O-N 3.11Å; V67-E70 PolarHBondContact O-N 3.19Å; E70-S72 VanDerWaalsContact C-N 3.32Å; E70-S72 PolarHBondContact O-N 3.26Å; E70-F73 PolarHBondContact O-N 3.11Å; E70-V74 WeakPolarHBondContact O-CB 3.28Å; E70-V74 VanDerWaalsContact O-CG2 3.31Å; E70-V74 WeakPolarHBondContact O-CG2 2.98Å; E70-V74 PolarHBondContact O-N 3.3Å
71	L	91.2	Very high	90.4	Very high	33 Å²	33	73 Å²	73	17%	0.173	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-37.5	177.3	-170.2	69	0	0	0	111.9	R48 A51 E52 V67 A68 L69 N75	R48-L71 HydrophobicContact CG-CD1 3.7Å; A51-L71 HydrophobicContact CB-CD1 4.1Å; E52-L71 HydrophobicContact CG-CD1 3.77Å; E52-L71 HydrophobicContact CG-CD2 4.25Å; V67-L71 VanDerWaalsContact O-CB 3.26Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 PolarHBondContact O-N 2.91Å; A68-L71 PolarHBondContact O-N 2.87Å; L69-L71 VanDerWaalsContact C-N 3.3Å; L69-L71 PolarHBondContact O-N 3.23Å; L71-N75 WeakPolarHBondContact O-CB 3.49Å; L71-N75 PolarHBondContact O-N 2.71Å; L71-N75 PolarHBondContact O-ND2 3.48Å
72	S	91.8	Very high	89.9	Confident	69 Å²	69	72 Å²	72	48%	0.483	37%	0.373	S	S	.	.	H	α-helix	trans	-67.9	-40.7	175.6	75.2	0	0	0	0	111.6	A68 L69 E70 N75 S76	A68-S72 PolarHBondContact O-N 2.83Å; L69-S72 PolarHBondContact O-N 2.87Å; L69-S72 PolarHBondContact O-OG 3Å; E70-S72 VanDerWaalsContact C-N 3.32Å; E70-S72 PolarHBondContact O-N 3.26Å; S72-N75 PolarHBondContact O-N 3.3Å; S72-S76 PolarHBondContact O-N 3.17Å
73	F	91.9	Very high	89.4	Confident	119 Å²	119	68.7 Å²	68.7	52%	0.522	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-48.8	174.8	-176.9	-105.7	0	0	0	112.1	L69 E70 N75 S76 N77	L69-F73 PolarHBondContact O-N 3.39Å; E70-F73 PolarHBondContact O-N 3.11Å; F73-N75 VanDerWaalsContact C-N 3.32Å; F73-N75 PolarHBondContact O-N 3.33Å; F73-S76 PolarHBondContact O-N 3.25Å; F73-N77 WeakPolarHBondContact CD1-ND2 3.43Å; F73-N77 WeakPolarHBondContact CE1-ND2 3.36Å; F73-N77 VanDerWaalsContact CZ-ND2 3.32Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.31Å; F73-N77 PolarHBondContact O-N 3.15Å
74	V	89.9	Confident	89.2	Confident	9 Å²	9	69 Å²	69	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-40.6	177	172.5	0	0	0	0	111.3	E44 M47 R48 E70 N77 L78	E44-V74 HydrophobicContact CB-CG1 4.38Å; E44-V74 WeakPolarHBondContact O-CG1 3.47Å; M47-V74 HydrophobicContact CB-CG2 4.36Å; R48-V74 HydrophobicContact CB-CG1 3.69Å; R48-V74 HydrophobicContact CG-CG1 4.44Å; E70-V74 WeakPolarHBondContact O-CB 3.28Å; E70-V74 VanDerWaalsContact O-CG2 3.31Å; E70-V74 WeakPolarHBondContact O-CG2 2.98Å; E70-V74 PolarHBondContact O-N 3.3Å; V74-N77 PolarHBondContact O-N 2.83Å; V74-L78 HydrophobicContact CG1-CD1 4.12Å; V74-L78 WeakPolarHBondContact O-CB 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.45Å; V74-L78 PolarHBondContact O-N 2.63Å
75	N	89.1	Confident	88.8	Confident	54 Å²	54	65.3 Å²	65.3	29%	0.289	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-39.1	176	-77.4	-33.8	0	0	0	112.4	R48 L71 S72 F73 L78 Q79	R48-N75 WeakPolarHBondContact CD-OD1 3.28Å; R48-N75 PolarHBondContact NE-OD1 3.24Å; R48-N75 PolarHBondContact NH1-OD1 3.01Å; L71-N75 WeakPolarHBondContact O-CB 3.49Å; L71-N75 PolarHBondContact O-N 2.71Å; L71-N75 PolarHBondContact O-ND2 3.48Å; S72-N75 PolarHBondContact O-N 3.3Å; F73-N75 VanDerWaalsContact C-N 3.32Å; F73-N75 PolarHBondContact O-N 3.33Å; N75-L78 PolarHBondContact O-N 3.1Å; N75-Q79 PolarHBondContact O-N 2.92Å
76	S	91.7	Very high	88.1	Confident	62 Å²	62	63.5 Å²	63.5	43%	0.434	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-45.4	175.4	-176.2	0	0	0	0	111.9	S72 F73 L78 Q79 L80	S72-S76 PolarHBondContact O-N 3.17Å; F73-S76 PolarHBondContact O-N 3.25Å; S76-L78 PolarHBondContact O-N 3.41Å; S76-Q79 WeakPolarHBondContact O-CB 3.23Å; S76-Q79 PolarHBondContact O-N 2.86Å; S76-Q79 VanDerWaalsContact O-N 3.17Å; S76-L80 PolarHBondContact O-N 3.18Å
77	N	90.8	Very high	87.6	Confident	36 Å²	36	64 Å²	64	19%	0.193	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-42.2	175.3	-71.6	-18.2	0	0	0	112.2	E44 F73 V74 Q79 L80 L81	E44-N77 HydrophobicContact CG-CB 4.42Å; F73-N77 WeakPolarHBondContact CD1-ND2 3.43Å; F73-N77 WeakPolarHBondContact CE1-ND2 3.36Å; F73-N77 VanDerWaalsContact CZ-ND2 3.32Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.31Å; F73-N77 PolarHBondContact O-N 3.15Å; V74-N77 PolarHBondContact O-N 2.83Å; N77-Q79 VanDerWaalsContact C-N 3.27Å; N77-Q79 PolarHBondContact O-N 3.45Å; N77-L80 PolarHBondContact O-N 3.24Å; N77-L81 WeakPolarHBondContact O-CB 3.27Å; N77-L81 WeakPolarHBondContact O-CG 3.47Å; N77-L81 PolarHBondContact O-N 2.92Å
78	L	84.9	Confident	87.1	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-40.1	174.6	-82.5	170.7	0	0	0	112	I41 E44 M45 R48 V74 N75 S76 K82	I41-L78 HydrophobicContact CG2-CD2 4.17Å; E44-L78 HydrophobicContact CB-CD1 4.39Å; E44-L78 HydrophobicContact CB-CD2 3.4Å; E44-L78 VanDerWaalsContact CB-CD2 3.4Å; E44-L78 HydrophobicContact CB-CG 3.62Å; E44-L78 HydrophobicContact CG-CD2 4.43Å; M45-L78 HydrophobicContact CG-CD1 4.49Å; M45-L78 HydrophobicContact CG-CD2 3.82Å; M45-L78 HydrophobicContact SD-CD1 3.88Å; M45-L78 HydrophobicContact SD-CD2 4.07Å; R48-L78 HydrophobicContact CB-CD1 4.3Å; V74-L78 HydrophobicContact CG1-CD1 4.12Å; V74-L78 WeakPolarHBondContact O-CB 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.45Å; V74-L78 PolarHBondContact O-N 2.63Å; N75-L78 PolarHBondContact O-N 3.1Å; S76-L78 PolarHBondContact O-N 3.41Å; L78-K82 WeakPolarHBondContact O-CB 3.26Å; L78-K82 WeakPolarHBondContact O-CG 3.44Å; L78-K82 PolarHBondContact O-N 3.04Å
79	Q	85.2	Confident	86.5	Confident	116 Å²	116	62.8 Å²	62.8	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-49.1	177.3	-178	173.6	-10.7	0	0	110.9	N75 S76 N77 L81 K82 E83	N75-Q79 PolarHBondContact O-N 2.92Å; S76-Q79 WeakPolarHBondContact O-CB 3.23Å; S76-Q79 PolarHBondContact O-N 2.86Å; S76-Q79 VanDerWaalsContact O-N 3.17Å; N77-Q79 VanDerWaalsContact C-N 3.27Å; N77-Q79 PolarHBondContact O-N 3.45Å; Q79-L81 PolarHBondContact O-N 3.05Å; Q79-K82 PolarHBondContact O-N 3.45Å; Q79-K82 VanDerWaalsContact O-N 3.17Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.32Å; Q79-E83 PolarHBondContact NE2-OE1 3.42Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 2.82Å
80	L	88.6	Confident	86	Confident	98 Å²	98	57 Å²	57	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-44.6	177.7	-70.1	172	0	0	0	112.6	S76 N77 K82 E83 E84	S76-L80 PolarHBondContact O-N 3.18Å; N77-L80 PolarHBondContact O-N 3.24Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 2.78Å; L80-E83 PolarHBondContact O-N 3.15Å; L80-E84 PolarHBondContact O-N 3.28Å
81	L	85.2	Confident	85.4	Confident	20 Å²	20	54.2 Å²	54.2	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-36.1	178.6	-70.9	169.5	0	0	0	112.2	I37 Q40 I41 E44 N77 Q79 L85	I37-L81 HydrophobicContact CG2-CB 4.37Å; I37-L81 HydrophobicContact CG2-CD2 4.36Å; I37-L81 WeakPolarHBondContact CG2-O 3.36Å; Q40-L81 HydrophobicContact CB-CD1 3.8Å; Q40-L81 HydrophobicContact CB-CD2 4.01Å; Q40-L81 VanDerWaalsContact OE1-CD2 3.32Å; I41-L81 HydrophobicContact CD1-CB 4.22Å; I41-L81 HydrophobicContact CG1-CB 3.61Å; I41-L81 HydrophobicContact CG1-CD1 4.2Å; E44-L81 HydrophobicContact CG-CD1 3.81Å; N77-L81 WeakPolarHBondContact O-CB 3.27Å; N77-L81 WeakPolarHBondContact O-CG 3.47Å; N77-L81 PolarHBondContact O-N 2.92Å; Q79-L81 PolarHBondContact O-N 3.05Å; L81-L85 WeakPolarHBondContact O-CB 3.29Å; L81-L85 PolarHBondContact O-N 3.37Å
82	K	81.2	Confident	84.9	Confident	96 Å²	96	52.8 Å²	52.8	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-67.6	-41.8	174.9	-77.6	175.6	177.7	-172.5	0	111.7	I41 L78 Q79 L80 L85 E86	I41-K82 HydrophobicContact CD1-CG 4.35Å; L78-K82 WeakPolarHBondContact O-CB 3.26Å; L78-K82 WeakPolarHBondContact O-CG 3.44Å; L78-K82 PolarHBondContact O-N 3.04Å; Q79-K82 PolarHBondContact O-N 3.45Å; Q79-K82 VanDerWaalsContact O-N 3.17Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 2.78Å; K82-L85 PolarHBondContact O-N 2.78Å; K82-E86 WeakPolarHBondContact O-CB 3.22Å; K82-E86 PolarHBondContact O-N 3.44Å
83	E	83.3	Confident	84.1	Confident	91 Å²	91	54.5 Å²	54.5	43%	0.425	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-42.7	175.2	-71.6	171.6	-170.4	0	0	111.2	Q79 L80 L85 E86 E87	Q79-E83 WeakPolarHBondContact CG-OE1 3.32Å; Q79-E83 PolarHBondContact NE2-OE1 3.42Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 2.82Å; L80-E83 PolarHBondContact O-N 3.15Å; E83-L85 VanDerWaalsContact C-N 3.35Å; E83-L85 PolarHBondContact O-N 3.06Å; E83-E86 PolarHBondContact O-N 3.24Å; E83-E87 PolarHBondContact O-N 3.21Å
84	E	86.1	Confident	83.2	Confident	62 Å²	62	50.1 Å²	50.1	29%	0.29	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-41.6	175	-167.3	-177	173.8	0	0	111.5	R33 I37 L80 E87 L88	R33-E84 IonicContact CZ-OE1 3.55Å; R33-E84 VanDerWaalsContact CZ-OE1 3.29Å; R33-E84 IonicContact NE-OE1 3.7Å; R33-E84 PolarHBondContact NE-OE1 2.79Å; R33-E84 IonicContact NH2-OE1 3.1Å; R33-E84 PolarHBondContact NH2-OE1 3.41Å; I37-E84 HydrophobicContact CD1-CB 4.25Å; I37-E84 VanDerWaalsContact CD1-CD 3.48Å; I37-E84 HydrophobicContact CD1-CG 3.67Å; L80-E84 PolarHBondContact O-N 3.28Å; E84-E87 PolarHBondContact O-N 2.99Å; E84-L88 WeakPolarHBondContact O-CG 3.37Å; E84-L88 PolarHBondContact O-N 3.48Å; E84-L88 VanDerWaalsContact O-N 3.1Å
85	L	81.9	Confident	82.5	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-40.5	176.3	-174.5	62.7	0	0	0	112.1	R34 I37 N38 I41 L81 K82 E83 L88 N89 T171	R34-L85 HydrophobicContact CB-CD1 4.21Å; R34-L85 HydrophobicContact CG-CD1 4.04Å; I37-L85 HydrophobicContact CG2-CB 3.92Å; I37-L85 HydrophobicContact CG2-CD1 4.44Å; N38-L85 VanDerWaalsContact OD1-CD2 3.26Å; N38-L85 WeakPolarHBondContact OD1-CD2 3.29Å; I41-L85 HydrophobicContact CD1-CB 4.45Å; I41-L85 HydrophobicContact CD1-CD2 3.95Å; L81-L85 WeakPolarHBondContact O-CB 3.29Å; L81-L85 PolarHBondContact O-N 3.37Å; K82-L85 PolarHBondContact O-N 2.78Å; E83-L85 VanDerWaalsContact C-N 3.35Å; E83-L85 PolarHBondContact O-N 3.06Å; L85-L88 PolarHBondContact O-N 3.45Å; L85-N89 WeakPolarHBondContact O-CB 3.39Å; L85-N89 PolarHBondContact O-N 2.94Å; L85-T171 WeakPolarHBondContact CD2-O 3.29Å
86	E	78.9	Confident	82.1	Confident	94 Å²	94	48.3 Å²	48.3	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-40.9	176.5	-171.9	-177.9	172.3	0	0	111.5	K82 E83 L88 N89 S90	K82-E86 WeakPolarHBondContact O-CB 3.22Å; K82-E86 PolarHBondContact O-N 3.44Å; E83-E86 PolarHBondContact O-N 3.24Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.66Å; E86-N89 PolarHBondContact O-N 3.28Å; E86-S90 VanDerWaalsContact O-CB 3.3Å; E86-S90 WeakPolarHBondContact O-CB 3.36Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-S90 PolarHBondContact O-OG 3.18Å
87	E	82.8	Confident	81.5	Confident	93 Å²	93	46.9 Å²	46.9	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-42.3	173.8	-174.3	170.6	-159.8	0	0	110.9	E83 E84 S90 N91 K405	E83-E87 PolarHBondContact O-N 3.21Å; E84-E87 PolarHBondContact O-N 2.99Å; E87-S90 PolarHBondContact O-N 3.47Å; E87-N91 PolarHBondContact O-N 3.3Å; E87-K405 IonicContact OE1-NZ 2.87Å; E87-K405 PolarHBondContact OE1-NZ 3.11Å
88	L	80.1	Confident	80.4	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-39.1	175.5	-67.4	179.2	0	0	0	112.9	L30 R33 R34 I37 E84 L85 E86 S90 N91	L30-L88 HydrophobicContact CG-CD2 4.4Å; R33-L88 HydrophobicContact CB-CD1 4.15Å; R33-L88 HydrophobicContact CG-CD1 3.82Å; R34-L88 HydrophobicContact CG-CB 3.97Å; R34-L88 HydrophobicContact CG-CD1 3.87Å; R34-L88 PolarHBondContact NH2-O 3.34Å; I37-L88 HydrophobicContact CD1-CD1 3.39Å; E84-L88 WeakPolarHBondContact O-CG 3.37Å; E84-L88 PolarHBondContact O-N 3.48Å; E84-L88 VanDerWaalsContact O-N 3.1Å; L85-L88 PolarHBondContact O-N 3.45Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.66Å; L88-S90 PolarHBondContact O-N 3.05Å; L88-N91 WeakPolarHBondContact O-CB 3.34Å; L88-N91 PolarHBondContact O-N 3.37Å
89	N	79.2	Confident	79.4	Confident	14 Å²	14	53.8 Å²	53.8	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-25.1	177.9	-75.8	-16.4	0	0	0	112.5	R34 L85 E86 N91 L170	R34-N89 WeakPolarHBondContact CD-OD1 3.35Å; R34-N89 PolarHBondContact NE-OD1 3.46Å; R34-N89 VanDerWaalsContact NE-OD1 3.12Å; R34-N89 PolarHBondContact NH1-OD1 2.98Å; R34-N89 VanDerWaalsContact NH1-OD1 3.13Å; L85-N89 WeakPolarHBondContact O-CB 3.39Å; L85-N89 PolarHBondContact O-N 2.94Å; E86-N89 PolarHBondContact O-N 3.28Å; N89-N91 VanDerWaalsContact C-N 3.33Å; N89-L170 PolarHBondContact ND2-O 3.04Å
90	S	80.6	Confident	78.3	Confident	1 Å²	1	56 Å²	56	1%	0.007	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.9	173.4	-65.1	0	0	0	0	114.4	E86 E87 L88 M92 S308 I402	E86-S90 VanDerWaalsContact O-CB 3.3Å; E86-S90 WeakPolarHBondContact O-CB 3.36Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-S90 PolarHBondContact O-OG 3.18Å; E87-S90 PolarHBondContact O-N 3.47Å; L88-S90 PolarHBondContact O-N 3.05Å; S90-M92 PolarHBondContact O-N 3.09Å; S90-M92 VanDerWaalsContact O-N 3.14Å; S90-S308 WeakPolarHBondContact CB-OG 3.3Å; S90-S308 PolarHBondContact OG-OG 3.45Å; S90-I402 VanDerWaalsContact CB-CD1 3.41Å
91	N	78.9	Confident	77.2	Confident	49 Å²	49	52.3 Å²	52.3	26%	0.262	27%	0.267	S	S	.	.			trans	-76.1	104	179.9	-168.5	-26.5	0	0	0	111.3	L30 E87 L88 N89 E93 V94	L30-N91 HydrophobicContact CD1-CB 3.98Å; E87-N91 PolarHBondContact O-N 3.3Å; L88-N91 WeakPolarHBondContact O-CB 3.34Å; L88-N91 PolarHBondContact O-N 3.37Å; N89-N91 VanDerWaalsContact C-N 3.33Å; N91-E93 PolarHBondContact OD1-N 3.15Å; N91-V94 WeakPolarHBondContact ND2-CG2 3.28Å; N91-V94 WeakPolarHBondContact OD1-CG2 3.41Å; N91-V94 PolarHBondContact OD1-N 3.23Å
92	M	79.9	Confident	76.6	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.02	28%	0.284	C	S	.	.			trans	-99.3	-26	179.5	36.7	176.1	68.9	0	0	113.1	S90 V94 Y95 Q96 I107 M312 L403 M406	S90-M92 PolarHBondContact O-N 3.09Å; S90-M92 VanDerWaalsContact O-N 3.14Å; M92-V94 VanDerWaalsContact C-N 3.31Å; M92-V94 PolarHBondContact O-N 3.03Å; M92-Y95 PolarHBondContact O-N 2.84Å; M92-Q96 PolarHBondContact O-NE2 2.9Å; M92-I107 HydrophobicContact CE-CG1 4Å; M92-M312 HydrophobicContact CE-CB 4.23Å; M92-M312 HydrophobicContact CE-CE 4.2Å; M92-M312 HydrophobicContact CE-CG 4.34Å; M92-M312 HydrophobicContact SD-CE 3.27Å; M92-M312 WeakPolarHBondContact SD-CE 3.29Å; M92-L403 HydrophobicContact SD-CD2 4.26Å; M92-M406 HydrophobicContact CB-CE 4.42Å; M92-M406 HydrophobicContact CG-CE 3.59Å; M92-M406 HydrophobicContact CG-SD 3.71Å; M92-M406 HydrophobicContact SD-CE 3.72Å; M92-M406 HydrophobicContact SD-SD 3.47Å
93	E	75.8	Confident	76.7	Confident	104 Å²	104	52 Å²	52	49%	0.486	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.4	-39.8	-176.6	-170.9	176.9	-163.7	0	0	112.4	N91 Y95 Q96 M406	N91-E93 PolarHBondContact OD1-N 3.15Å; E93-Y95 PolarHBondContact O-N 3.44Å; E93-Q96 PolarHBondContact O-N 3.06Å; E93-M406 HydrophobicContact CB-CE 4.43Å
94	V	73	Confident	77	Confident	28 Å²	28	48 Å²	48	17%	0.17	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-58.3	-19	-179	170	0	0	0	0	113.1	R27 L30 N91 M92	R27-V94 HydrophobicContact CB-CG1 4.16Å; R27-V94 HydrophobicContact CG-CG1 3.38Å; R27-V94 WeakPolarHBondContact CG-O 3.3Å; R27-V94 VanDerWaalsContact CZ-O 3.27Å; R27-V94 PolarHBondContact NE-O 3.33Å; R27-V94 PolarHBondContact NH2-O 3.49Å; R27-V94 VanDerWaalsContact NH2-O 3.1Å; L30-V94 HydrophobicContact CD1-CB 4.34Å; L30-V94 HydrophobicContact CD1-CG1 4.33Å; L30-V94 HydrophobicContact CD1-CG2 3.99Å; N91-V94 WeakPolarHBondContact ND2-CG2 3.28Å; N91-V94 WeakPolarHBondContact OD1-CG2 3.41Å; N91-V94 PolarHBondContact OD1-N 3.23Å; M92-V94 VanDerWaalsContact C-N 3.31Å; M92-V94 PolarHBondContact O-N 3.03Å
95	Y	74.7	Confident	77.3	Confident	8 Å²	8	45.3 Å²	45.3	3%	0.031	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-103.6	-7.3	-179.9	-57.6	-81.1	0	0	0	114.3	M92 E93 P108 Q197 A200 R201	M92-Y95 PolarHBondContact O-N 2.84Å; E93-Y95 PolarHBondContact O-N 3.44Å; Y95-P108 HydrophobicContact CD2-CB 4.09Å; Y95-P108 HydrophobicContact CD2-CG 3.36Å; Y95-P108 HydrophobicContact CE2-CG 4.13Å; Y95-P108 HydrophobicContact CG-CB 3.98Å; Y95-P108 HydrophobicContact CG-CG 3.67Å; Y95-Q197 HydrophobicContact CD1-CB 4.06Å; Y95-Q197 HydrophobicContact CD1-CG 3.65Å; Y95-Q197 HydrophobicContact CE1-CG 3.78Å; Y95-Q197 HydrophobicContact CG-CG 4.41Å; Y95-A200 CarbonylContact O-C 3.6Å; Y95-R201 WeakPolarHBondContact O-CA 3.33Å; Y95-R201 PolarHBondContact O-N 2.81Å
96	Q	81.7	Confident	78	Confident	16 Å²	16	45.2 Å²	45.2	8%	0.075	24%	0.24	C	C	.	.	S	Bend	trans	-72.8	166	179	-50.5	-53.9	-51.6	0	0	110.7	R27 M92 E93 P105 M106	R27-Q96 PolarHBondContact NH2-O 2.76Å; M92-Q96 PolarHBondContact O-NE2 2.9Å; E93-Q96 PolarHBondContact O-N 3.06Å; Q96-P105 HydrophobicContact CG-CB 4.24Å; Q96-M106 PolarHBondContact NE2-O 3.11Å
97	T	78.4	Confident	78.7	Confident	32 Å²	32	40.7 Å²	40.7	20%	0.196	22%	0.219	C	C	.	.			trans	-69.2	149.7	169.9	-171.2	0	0	0	0	110.6	S99 R201	T97-S99 PolarHBondContact O-N 2.98Å; T97-S99 PolarHBondContact OG1-N 3.23Å; T97-R201 WeakPolarHBondContact CB-O 3.45Å
98	D	67.3	Low	79.2	Confident	149 Å²	149	36.6 Å²	36.6	80%	0.797	20%	0.2	S	C	*	.			trans	-86.9	14.4	172.5	-53.9	-46.6	0	0	0	111.3
99	S	65.1	Low	79.7	Confident	38 Å²	38	35.9 Å²	35.9	27%	0.266	20%	0.197	S	C	.	.			trans	-71.2	143.3	179.4	-176.6	0	0	0	0	111	T97 A101 D203	T97-S99 PolarHBondContact O-N 2.98Å; T97-S99 PolarHBondContact OG1-N 3.23Å; S99-A101 PolarHBondContact O-N 2.93Å; S99-A101 WeakPolarHBondContact OG-CB 3.44Å; S99-A101 PolarHBondContact OG-N 3.31Å; S99-D203 PolarHBondContact OG-OD1 2.75Å; S99-D203 VanDerWaalsContact OG-OD1 3.12Å
100	D	61.6	Low	80	Confident	163 Å²	163	35.5 Å²	35.5	87%	0.872	20%	0.197	S	C	*	.	S	Bend	trans	-67.3	-1.6	173.8	-63.5	-31.9	0	0	0	113.1	I102	D100-I102 PolarHBondContact O-N 3.32Å
101	A	65.3	Low	80.4	Confident	19 Å²	19	36.1 Å²	36.1	16%	0.157	20%	0.199	C	C	.	.			trans	-64.2	113.1	177.6	0	0	0	0	0	112.2	S99 S103 A205	S99-A101 PolarHBondContact O-N 2.93Å; S99-A101 WeakPolarHBondContact OG-CB 3.44Å; S99-A101 PolarHBondContact OG-N 3.31Å; A101-S103 VanDerWaalsContact C-N 3.32Å; A101-S103 PolarHBondContact O-N 3.05Å; A101-A205 HydrophobicContact CB-CB 3.6Å
102	I	72.5	Confident	81	Confident	89 Å²	89	34 Å²	34	46%	0.456	19%	0.188	S	C	.	.			trans	-74.7	82.5	178.5	-52.2	-179.6	0	0	0	109.3	D100 V412	D100-I102 PolarHBondContact O-N 3.32Å; I102-V412 HydrophobicContact CG2-CB 4.32Å; I102-V412 HydrophobicContact CG2-CG2 3.4Å
103	S	83.3	Confident	81.2	Confident	21 Å²	21	35 Å²	35	15%	0.147	19%	0.192	C	C	.	.			trans	-121.1	150.3	176.4	62.6	0	0	0	0	110.5	A101 R204 I408	A101-S103 VanDerWaalsContact C-N 3.32Å; A101-S103 PolarHBondContact O-N 3.05Å; S103-R204 PolarHBondContact OG-NH2 3.43Å; S103-I408 WeakPolarHBondContact O-CG2 3.5Å
104	V	90.4	Very high	81.6	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.042	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-64.1	130.3	-179.7	-176.1	0	0	0	0	109.3	R204 K316 L409 V412	V104-R204 PolarHBondContact O-NH2 3.42Å; V104-K316 HydrophobicContact CG1-CD 4.3Å; V104-K316 VanDerWaalsContact CG1-CE 3.49Å; V104-K316 HydrophobicContact CG1-CG 3.97Å; V104-L409 HydrophobicContact CG1-CD1 4.01Å; V104-V412 HydrophobicContact CG2-CG1 3.85Å; V104-V412 HydrophobicContact CG2-CG2 4.48Å
105	P	92.8	Very high	81.8	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.032	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-59.1	144.1	179.6	-26.6	35.2	0	0	0	113.3	Q96 M312 K316 M406 L409	Q96-P105 HydrophobicContact CG-CB 4.24Å; P105-M312 HydrophobicContact CB-CE 4.16Å; P105-K316 WeakPolarHBondContact O-CE 3.44Å; P105-K316 PolarHBondContact O-NZ 2.92Å; P105-M406 HydrophobicContact CB-CE 3.53Å; P105-M406 HydrophobicContact CG-CE 3.57Å; P105-L409 HydrophobicContact CG-CB 4.37Å
106	M	94.9	Very high	81.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-89.3	156.3	174.1	-67	-67.6	178.5	0	0	110.9	Q96 P108 A200 F217 Q254 E257	Q96-M106 PolarHBondContact NE2-O 3.11Å; M106-P108 WeakPolarHBondContact O-CD 3.45Å; M106-A200 HydrophobicContact CB-CB 3.91Å; M106-F217 HydrophobicContact CB-CZ 3.95Å; M106-F217 HydrophobicContact CG-CE2 4.12Å; M106-F217 HydrophobicContact CG-CZ 3.99Å; M106-F217 HydrophobicContact SD-CE2 4.2Å; M106-F217 HydrophobicContact SD-CZ 4.38Å; M106-Q254 HydrophobicContact SD-CB 3.83Å; M106-Q254 HydrophobicContact SD-CG 3.7Å; M106-E257 HydrophobicContact CE-CB 4.26Å; M106-E257 HydrophobicContact CE-CG 3.83Å; M106-E257 WeakPolarHBondContact CE-OE1 3.29Å
107	I	95.1	Very high	80.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.			trans	-93.5	103	174.9	-53.8	-177.4	0	0	0	109.3	M92 L250 Q254 W309 M312 V313	M92-I107 HydrophobicContact CE-CG1 4Å; I107-L250 HydrophobicContact CB-CD2 4.31Å; I107-L250 HydrophobicContact CD1-CD1 4.13Å; I107-L250 HydrophobicContact CG2-CD2 4.11Å; I107-Q254 PolarHBondContact O-NE2 2.66Å; I107-Q254 PolarHBondContact O-OE1 3.19Å; I107-W309 HydrophobicContact CD1-CB 4.37Å; I107-W309 HydrophobicContact CG2-CD2 3.47Å; I107-W309 VanDerWaalsContact CG2-CD2 3.47Å; I107-W309 VanDerWaalsContact CG2-CE2 3.5Å; I107-W309 HydrophobicContact CG2-CE3 3.87Å; I107-W309 HydrophobicContact CG2-CG 3.85Å; I107-W309 HydrophobicContact CG2-CH2 4.3Å; I107-W309 HydrophobicContact CG2-CZ2 3.93Å; I107-W309 HydrophobicContact CG2-CZ3 4.26Å; I107-M312 HydrophobicContact CD1-CB 3.97Å; I107-M312 HydrophobicContact CD1-CG 3.8Å; I107-M312 HydrophobicContact CG1-CB 4.49Å; I107-M312 HydrophobicContact CG1-CG 3.92Å; I107-V313 HydrophobicContact CD1-CG2 3.78Å
108	P	92.8	Very high	79	Confident	6 Å²	6	48 Å²	48	4%	0.039	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-85.5	156	172.8	37.2	-39.2	0	0	0	111.4	Y95 M106 Q197 A200 W309	Y95-P108 HydrophobicContact CD2-CB 4.09Å; Y95-P108 HydrophobicContact CD2-CG 3.36Å; Y95-P108 HydrophobicContact CE2-CG 4.13Å; Y95-P108 HydrophobicContact CG-CB 3.98Å; Y95-P108 HydrophobicContact CG-CG 3.67Å; M106-P108 WeakPolarHBondContact O-CD 3.45Å; P108-Q197 HydrophobicContact CB-CG 4.15Å; P108-A200 HydrophobicContact CB-CB 4.23Å; P108-W309 WeakPolarHBondContact O-CZ2 3.34Å
109	L	91.1	Very high	78.5	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-94.9	138.6	171.8	-87.4	77.9	0	0	0	111.4	F189 A193 T196 Q197 F224 L247 M251 W309	L109-F189 HydrophobicContact CD2-CE1 4.3Å; L109-F189 HydrophobicContact CD2-CZ 3.84Å; L109-A193 HydrophobicContact CB-CB 3.79Å; L109-T196 HydrophobicContact CB-CG2 4.45Å; L109-T196 HydrophobicContact CD1-CG2 4.04Å; L109-T196 PolarHBondContact N-OG1 3.48Å; L109-Q197 PolarHBondContact O-NE2 3.1Å; L109-F224 HydrophobicContact CD2-CE1 4.27Å; L109-F224 HydrophobicContact CD2-CE2 4.12Å; L109-F224 HydrophobicContact CD2-CZ 3.6Å; L109-L247 HydrophobicContact CD1-CD2 4.01Å; L109-L247 HydrophobicContact CD2-CD1 3.63Å; L109-L247 HydrophobicContact CD2-CD2 3.63Å; L109-L247 HydrophobicContact CD2-CG 4.2Å; L109-L247 HydrophobicContact CG-CD2 4.23Å; L109-M251 HydrophobicContact CD1-CE 3.81Å; L109-W309 HydrophobicContact CD1-CH2 4.13Å; L109-W309 HydrophobicContact CD1-CZ3 4.4Å; L109-W309 HydrophobicContact CG-CH2 3.92Å; L109-W309 HydrophobicContact CG-CZ3 4.46Å
110	G	86.1	Confident	78.1	Confident	7 Å²	7	48.5 Å²	48.5	7%	0.072	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-66.3	146.5	165	0	0	0	0	0	111.5
111	L	88.6	Confident	77.9	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.068	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.7	139.8	169.2	-55.3	-179	0	0	0	109	P129 N190 A193 L194	L111-P129 HydrophobicContact CD1-CG 3.61Å; L111-N190 HydrophobicContact CD2-CB 4.34Å; L111-A193 HydrophobicContact CD2-CB 3.8Å; L111-L194 HydrophobicContact CD2-CB 4.15Å
112	K	90	Very high	77.6	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.026	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-60.7	140.7	163.5	-64.5	178.3	69	59.4	0	109	W166 Y167 F189 N190 D238	K112-W166 HydrophobicContact CB-CE3 3.7Å; K112-W166 HydrophobicContact CB-CZ3 4.01Å; K112-Y167 PolarHBondContact NZ-O 3.23Å; K112-F189 HydrophobicContact CD-CB 3.89Å; K112-F189 HydrophobicContact CD-CD1 3.53Å; K112-F189 HydrophobicContact CD-CD2 4.31Å; K112-F189 HydrophobicContact CD-CE1 4.14Å; K112-F189 HydrophobicContact CD-CG 3.64Å; K112-F189 HydrophobicContact CG-CD1 3.52Å; K112-F189 HydrophobicContact CG-CE1 3.82Å; K112-F189 HydrophobicContact CG-CG 4.18Å; K112-N190 WeakPolarHBondContact CA-OD1 3.35Å; K112-N190 WeakPolarHBondContact CB-OD1 3.39Å; K112-N190 PolarHBondContact N-OD1 3.37Å; K112-N190 PolarHBondContact O-ND2 3.28Å; K112-D238 IonicContact NZ-OD1 3.72Å; K112-D238 PolarHBondContact NZ-OD1 3.48Å; K112-D238 IonicContact NZ-OD2 2.66Å; K112-D238 PolarHBondContact NZ-OD2 3.43Å
113	E	84.8	Confident	77.2	Confident	23 Å²	23	42.2 Å²	42.2	11%	0.107	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-99.7	155.4	178	-63.6	179.7	172.8	0	0	110.4	R34 A35 N38 W166 Y167	R34-E113 WeakPolarHBondContact CB-OE1 3.15Å; A35-E113 WeakPolarHBondContact CA-OE2 3.27Å; A35-E113 PolarHBondContact N-OE1 3.37Å; A35-E113 PolarHBondContact N-OE2 3.19Å; N38-E113 PolarHBondContact ND2-OE2 3.08Å; E113-W166 WeakPolarHBondContact O-CA 3.46Å; E113-Y167 HydrophobicContact CB-CD2 3.9Å; E113-Y167 HydrophobicContact CB-CG 4.48Å; E113-Y167 WeakPolarHBondContact O-CD2 3.25Å; E113-Y167 PolarHBondContact O-N 2.94Å
114	T	84.5	Confident	76.4	Confident	13 Å²	13	45 Å²	45	8%	0.08	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-137	153.9	174.6	-176.8	0	0	0	0	110.2	R127 H165 W166	T114-R127 HydrophobicContact CG2-CG 3.71Å; T114-R127 PolarHBondContact O-NE 3.22Å; T114-R127 PolarHBondContact O-NH2 3.28Å; T114-R127 VanDerWaalsContact O-NH2 3.09Å; T114-H165 WeakPolarHBondContact CA-O 3.28Å; T114-H165 WeakPolarHBondContact CB-O 3.35Å; T114-H165 PolarHBondContact OG1-O 2.95Å; T114-W166 HydrophobicContact CG2-CH2 3.96Å; T114-W166 HydrophobicContact CG2-CZ2 4.2Å; T114-W166 HydrophobicContact CG2-CZ3 4.12Å
115	K	76.1	Confident	75.3	Confident	82 Å²	82	45.2 Å²	45.2	36%	0.357	24%	0.238	S	C	.	.			trans	-67.1	159.6	177.5	-71.3	-174.7	-178.5	172.8	0	110.8	V117 H165 Y167	K115-V117 PolarHBondContact O-N 3.23Å; K115-H165 HydrophobicContact CB-CB 4.34Å; K115-H165 HydrophobicContact CD-CB 3.93Å; K115-H165 HydrophobicContact CG-CB 4.04Å; K115-Y167 HydrophobicContact CG-CE2 4.22Å
116	E	64.3	Low	74.7	Confident	141 Å²	141	45.1 Å²	45.1	66%	0.659	24%	0.237	S	C	*	.			trans	-62	125.2	164.2	-81.6	178.9	175.4	0	0	108.8	Q124 R127	E116-Q124 PolarHBondContact OE1-NE2 3.25Å; E116-R127 VanDerWaalsContact CG-CZ 3.5Å; E116-R127 IonicContact OE1-NH1 3.43Å; E116-R127 PolarHBondContact OE1-NH1 2.9Å
117	V	59.6	Low	73.8	Confident	54 Å²	54	47.7 Å²	47.7	33%	0.327	25%	0.247	S	C	.	.			trans	-119.4	132.7	171.4	-156.5	0	0	0	0	106	K115 F119	K115-V117 PolarHBondContact O-N 3.23Å; V117-F119 HydrophobicContact CB-CD2 3.72Å; V117-F119 HydrophobicContact CB-CE2 4.17Å; V117-F119 HydrophobicContact CG1-CD2 3.28Å; V117-F119 HydrophobicContact CG1-CE2 3.26Å; V117-F119 HydrophobicContact CG1-CG 4.31Å; V117-F119 HydrophobicContact CG1-CZ 4.28Å; V117-F119 PolarHBondContact O-N 3.03Å
118	D	53.8	Low	72.8	Confident	172 Å²	172	49.8 Å²	49.8	92%	0.92	26%	0.26	S	S	*	.	S	Bend	trans	-75.5	65.3	-175.1	-149.5	6.3	0	0	0	110
119	F	55.3	Low	72.4	Confident	107 Å²	107	49.5 Å²	49.5	47%	0.469	26%	0.258	S	S	.	.			trans	-124.3	164.1	178.3	-69.6	-58	0	0	0	110.6	V117 I123	V117-F119 HydrophobicContact CB-CD2 3.72Å; V117-F119 HydrophobicContact CB-CE2 4.17Å; V117-F119 HydrophobicContact CG1-CD2 3.28Å; V117-F119 HydrophobicContact CG1-CE2 3.26Å; V117-F119 HydrophobicContact CG1-CG 4.31Å; V117-F119 HydrophobicContact CG1-CZ 4.28Å; V117-F119 PolarHBondContact O-N 3.03Å; F119-I123 HydrophobicContact CB-CB 4.12Å; F119-I123 HydrophobicContact CB-CD1 3.36Å; F119-I123 HydrophobicContact CB-CG1 4.31Å; F119-I123 HydrophobicContact CB-CG2 4.04Å; F119-I123 HydrophobicContact CD2-CD1 4.17Å; F119-I123 HydrophobicContact CG-CD1 3.94Å
120	T	58.4	Low	72	Confident	90 Å²	90	50.6 Å²	50.6	55%	0.552	27%	0.266	S	S	*	.			trans	-45.3	154.3	-176.4	53.7	0	0	0	0	115.1	P122 I123	T120-P122 VanDerWaalsContact O-CD 3.26Å; T120-P122 WeakPolarHBondContact O-CD 3.22Å; T120-I123 WeakPolarHBondContact O-CB 3.4Å; T120-I123 PolarHBondContact O-N 2.84Å
121	V	57	Low	71.9	Confident	94 Å²	94	52 Å²	52	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-38	-42.1	-178.7	-179	0	0	0	0	117	I15 I123 Q124 A125	I15-V121 HydrophobicContact CG2-CG1 4.19Å; V121-I123 PolarHBondContact O-N 3.07Å; V121-Q124 PolarHBondContact O-N 3.12Å; V121-A125 PolarHBondContact O-N 3Å; V121-A125 VanDerWaalsContact O-N 3.11Å
122	P	57.9	Low	71.8	Confident	23 Å²	23	53.5 Å²	53.5	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-33.3	177.9	-20.8	30.2	0	0	0	113.6	I15 T120 A125 M126	I15-P122 HydrophobicContact CD1-CG 4.14Å; I15-P122 HydrophobicContact CG1-CG 4.29Å; I15-P122 HydrophobicContact CG2-CB 4.33Å; I15-P122 HydrophobicContact CG2-CG 3.73Å; T120-P122 VanDerWaalsContact O-CD 3.26Å; T120-P122 WeakPolarHBondContact O-CD 3.22Å; P122-A125 PolarHBondContact O-N 3.39Å; P122-M126 PolarHBondContact O-N 3.12Å
123	I	64.3	Low	71.8	Confident	23 Å²	23	58.2 Å²	58.2	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-72.9	-31.4	-179.4	-74	159.7	0	0	0	111.7	F119 T120 V121 M126 Y142	F119-I123 HydrophobicContact CB-CB 4.12Å; F119-I123 HydrophobicContact CB-CD1 3.36Å; F119-I123 HydrophobicContact CB-CG1 4.31Å; F119-I123 HydrophobicContact CB-CG2 4.04Å; F119-I123 HydrophobicContact CD2-CD1 4.17Å; F119-I123 HydrophobicContact CG-CD1 3.94Å; T120-I123 WeakPolarHBondContact O-CB 3.4Å; T120-I123 PolarHBondContact O-N 2.84Å; V121-I123 PolarHBondContact O-N 3.07Å; I123-M126 VanDerWaalsContact CA-CE 3.44Å; I123-M126 HydrophobicContact CB-CE 4Å; I123-M126 HydrophobicContact CG1-CE 3.99Å; I123-M126 HydrophobicContact CG2-CE 4Å; I123-M126 WeakPolarHBondContact O-CE 3.18Å; I123-Y142 HydrophobicContact CD1-CE2 4.07Å; I123-Y142 HydrophobicContact CG1-CD2 4.05Å; I123-Y142 HydrophobicContact CG1-CE2 3.38Å
124	Q	65.7	Low	72	Confident	80 Å²	80	59.7 Å²	59.7	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-76.4	-35.8	174.9	-167.1	69.3	-13.5	0	0	111.3	E116 V121 R127	E116-Q124 PolarHBondContact OE1-NE2 3.25Å; V121-Q124 PolarHBondContact O-N 3.12Å; Q124-R127 PolarHBondContact O-N 2.99Å
125	A	68.4	Low	72.2	Confident	10 Å²	10	59.1 Å²	59.1	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-39.7	-179	0	0	0	0	0	112.9	V121 P122 R127 T128 L138	V121-A125 PolarHBondContact O-N 3Å; V121-A125 VanDerWaalsContact O-N 3.11Å; P122-A125 PolarHBondContact O-N 3.39Å; A125-R127 PolarHBondContact O-N 3.19Å; A125-T128 CarbonylContact O-C 3.53Å; A125-T128 PolarHBondContact O-N 3.27Å; A125-L138 HydrophobicContact CB-CD1 4.15Å; A125-L138 HydrophobicContact CB-CD2 3.97Å
126	M	80	Confident	73	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.7	-176.6	114.9	-71.7	-90.7	0	0	113.6	P122 I123 T128 P129 L139 Y142	P122-M126 PolarHBondContact O-N 3.12Å; I123-M126 VanDerWaalsContact CA-CE 3.44Å; I123-M126 HydrophobicContact CB-CE 4Å; I123-M126 HydrophobicContact CG1-CE 3.99Å; I123-M126 HydrophobicContact CG2-CE 4Å; I123-M126 WeakPolarHBondContact O-CE 3.18Å; M126-T128 PolarHBondContact O-N 2.86Å; M126-P129 VanDerWaalsContact O-CD 3.27Å; M126-P129 WeakPolarHBondContact O-CD 3.18Å; M126-L139 HydrophobicContact CB-CD2 4.03Å; M126-L139 HydrophobicContact CG-CD2 4.01Å; M126-Y142 HydrophobicContact CE-CD1 3.41Å; M126-Y142 VanDerWaalsContact CE-CD1 3.41Å; M126-Y142 HydrophobicContact CE-CD2 3.6Å; M126-Y142 HydrophobicContact CE-CE1 3.2Å; M126-Y142 HydrophobicContact CE-CE2 3.43Å; M126-Y142 VanDerWaalsContact CE-CE2 3.43Å; M126-Y142 HydrophobicContact CE-CG 3.57Å; M126-Y142 HydrophobicContact CG-CD1 4.06Å; M126-Y142 HydrophobicContact CG-CE1 4.5Å; M126-Y142 HydrophobicContact CG-CG 4.38Å
127	R	76.4	Confident	74.3	Confident	55 Å²	55	51.3 Å²	51.3	21%	0.208	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.3	176.9	-62.4	177.4	63.7	-131.5	0.9	112.3	Q31 T114 E116 Q124 A125	Q31-R127 PolarHBondContact NE2-O 3.09Å; Q31-R127 VanDerWaalsContact NE2-O 3.12Å; T114-R127 HydrophobicContact CG2-CG 3.71Å; T114-R127 PolarHBondContact O-NE 3.22Å; T114-R127 PolarHBondContact O-NH2 3.28Å; T114-R127 VanDerWaalsContact O-NH2 3.09Å; E116-R127 VanDerWaalsContact CG-CZ 3.5Å; E116-R127 IonicContact OE1-NH1 3.43Å; E116-R127 PolarHBondContact OE1-NH1 2.9Å; Q124-R127 PolarHBondContact O-N 2.99Å; A125-R127 PolarHBondContact O-N 3.19Å
128	T	74.3	Confident	75.8	Confident	43 Å²	43	49 Å²	49	26%	0.264	27%	0.266	S	S	.	.	S	Bend	trans	-130.6	60.5	-179.9	52	0	0	0	0	110.3	C19 A125 M126	C19-T128 PolarHBondContact N-O 3.17Å; A125-T128 CarbonylContact O-C 3.53Å; A125-T128 PolarHBondContact O-N 3.27Å; M126-T128 PolarHBondContact O-N 2.86Å
129	P	83.1	Confident	77.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.			trans	-67.8	144.9	-177.8	32.3	-30.4	0	0	0	109.1	L111 M126 L139 L194	L111-P129 HydrophobicContact CD1-CG 3.61Å; M126-P129 VanDerWaalsContact O-CD 3.27Å; M126-P129 WeakPolarHBondContact O-CD 3.18Å; P129-L139 HydrophobicContact CB-CD1 4.25Å; P129-L139 HydrophobicContact CB-CD2 4.41Å; P129-L139 HydrophobicContact CB-CG 4.1Å; P129-L139 HydrophobicContact CG-CD1 4.15Å; P129-L139 HydrophobicContact CG-CD2 4.34Å; P129-L139 HydrophobicContact CG-CG 4.34Å; P129-L194 HydrophobicContact CB-CD2 4.35Å; P129-L194 HydrophobicContact CG-CD2 4.49Å
130	S	84	Confident	79.5	Confident	24 Å²	24	36.6 Å²	36.6	17%	0.168	20%	0.204	C	C	.	.			trans	-67.6	147.1	174.3	69.5	0	0	0	0	110.5	C19 S132 G135	C19-S130 WeakPolarHBondContact SG-CA 3.31Å; C19-S130 WeakPolarHBondContact SG-CB 3.2Å; S130-S132 PolarHBondContact O-N 3.44Å; S130-S132 PolarHBondContact OG-OG 3.3Å; S130-G135 WeakPolarHBondContact O-CA 3.44Å; S130-G135 PolarHBondContact OG-N 3.07Å; S130-G135 VanDerWaalsContact OG-N 3.15Å
131	R	83.6	Confident	81.1	Confident	35 Å²	35	34 Å²	34	13%	0.132	19%	0.186	C	C	.	.	S	Bend	trans	-81.8	58.7	179.2	-70.1	159.6	-179.5	78.3	-3.2	110.9	L194	R131-L194 HydrophobicContact CB-CD1 4.38Å; R131-L194 HydrophobicContact CG-CD1 3.92Å
132	S	87.1	Confident	82.8	Confident	45 Å²	45	30.4 Å²	30.4	32%	0.315	16%	0.163	S	C	.	.	S	Bend	trans	-153.9	173.9	-172.4	76.2	0	0	0	0	110.3	S130 A134 G135 L136	S130-S132 PolarHBondContact O-N 3.44Å; S130-S132 PolarHBondContact OG-OG 3.3Å; S132-A134 PolarHBondContact O-N 2.93Å; S132-A134 PolarHBondContact OG-N 2.94Å; S132-G135 PolarHBondContact O-N 3.27Å; S132-L136 PolarHBondContact O-N 2.97Å; S132-L136 VanDerWaalsContact O-N 3.17Å
133	Q	89.1	Confident	84.4	Confident	105 Å²	105	30.6 Å²	30.6	49%	0.491	16%	0.16	S	C	.	.	H	α-helix	trans	-54.4	-39.1	172.8	-173.3	58.6	25.6	0	0	112.3	G135 L136 E137	Q133-G135 VanDerWaalsContact C-N 3.28Å; Q133-G135 PolarHBondContact O-N 3.04Å; Q133-L136 WeakPolarHBondContact O-CB 3.43Å; Q133-L136 PolarHBondContact O-N 3.19Å; Q133-E137 HydrophobicContact CG-CG 4.45Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.36Å; Q133-E137 PolarHBondContact NE2-OE1 2.72Å; Q133-E137 WeakPolarHBondContact O-CG 3.22Å; Q133-E137 PolarHBondContact O-N 3.17Å
134	A	88.7	Confident	85.8	Confident	55 Å²	55	30.6 Å²	30.6	46%	0.455	16%	0.161	S	C	.	.	H	α-helix	trans	-61.8	-35.2	178.1	0	0	0	0	0	112.9	S132 L138	S132-A134 PolarHBondContact O-N 2.93Å; S132-A134 PolarHBondContact OG-N 2.94Å; A134-L138 WeakPolarHBondContact O-CB 3.41Å; A134-L138 PolarHBondContact O-N 2.89Å
135	G	89.6	Confident	87	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-74.3	-35.3	176.4	0	0	0	0	0	113.1	S130 S132 Q133 E137 L138 L139	S130-G135 WeakPolarHBondContact O-CA 3.44Å; S130-G135 PolarHBondContact OG-N 3.07Å; S130-G135 VanDerWaalsContact OG-N 3.15Å; S132-G135 PolarHBondContact O-N 3.27Å; Q133-G135 VanDerWaalsContact C-N 3.28Å; Q133-G135 PolarHBondContact O-N 3.04Å; G135-E137 VanDerWaalsContact C-N 3.35Å; G135-L138 PolarHBondContact O-N 3.28Å; G135-L139 WeakPolarHBondContact O-CG 3.36Å; G135-L139 PolarHBondContact O-N 2.88Å
136	L	92.7	Very high	88	Confident	11 Å²	11	27.4 Å²	27.4	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-46.3	170.9	-75.1	168.9	0	0	0	110.9	S132 Q133 L138 L139 M140 I191 L194 H195 I198	S132-L136 PolarHBondContact O-N 2.97Å; S132-L136 VanDerWaalsContact O-N 3.17Å; Q133-L136 WeakPolarHBondContact O-CB 3.43Å; Q133-L136 PolarHBondContact O-N 3.19Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.47Å; L136-L139 PolarHBondContact O-N 2.65Å; L136-M140 WeakPolarHBondContact O-CB 3.27Å; L136-M140 PolarHBondContact O-N 3.24Å; L136-I191 HydrophobicContact CD2-CG2 4.18Å; L136-L194 HydrophobicContact CD2-CB 3.93Å; L136-L194 HydrophobicContact CD2-CD2 3.81Å; L136-L194 HydrophobicContact CD2-CG 3.98Å; L136-L194 HydrophobicContact CG-CD2 3.84Å; L136-L194 HydrophobicContact CG-CG 4.22Å; L136-H195 WeakPolarHBondContact CD1-CE1 3.44Å; L136-I198 HydrophobicContact CD1-CD1 3.52Å; L136-I198 HydrophobicContact CG-CD1 3.98Å
137	E	92.1	Very high	88.5	Confident	49 Å²	49	32.9 Å²	32.9	23%	0.229	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-32.6	-180	-60.4	172.8	-170.5	0	0	112.3	R16 Q133 G135 M140 E141 V460	R16-E137 IonicContact CZ-OE2 3.73Å; R16-E137 IonicContact NH1-OE2 3.6Å; R16-E137 PolarHBondContact NH1-OE2 3Å; R16-E137 IonicContact NH2-OE2 3.46Å; R16-E137 PolarHBondContact NH2-OE2 2.68Å; Q133-E137 HydrophobicContact CG-CG 4.45Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.36Å; Q133-E137 PolarHBondContact NE2-OE1 2.72Å; Q133-E137 WeakPolarHBondContact O-CG 3.22Å; Q133-E137 PolarHBondContact O-N 3.17Å; G135-E137 VanDerWaalsContact C-N 3.35Å; E137-M140 PolarHBondContact O-N 3.19Å; E137-E141 VanDerWaalsContact O-CB 3.28Å; E137-E141 WeakPolarHBondContact O-CB 3.35Å; E137-E141 PolarHBondContact O-N 3.22Å; E137-V460 HydrophobicContact CB-CG2 3.94Å; E137-V460 HydrophobicContact CG-CG2 4.11Å
138	L	91	Very high	89.1	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-44.9	170.7	173.2	65.2	0	0	0	111.9	R16 A125 A134 G135 L136 M140 E141 Y142	R16-L138 HydrophobicContact CB-CD1 4.19Å; R16-L138 WeakPolarHBondContact O-CD1 3.13Å; A125-L138 HydrophobicContact CB-CD1 4.15Å; A125-L138 HydrophobicContact CB-CD2 3.97Å; A134-L138 WeakPolarHBondContact O-CB 3.41Å; A134-L138 PolarHBondContact O-N 2.89Å; G135-L138 PolarHBondContact O-N 3.28Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 3.47Å; L138-M140 VanDerWaalsContact C-N 3.34Å; L138-E141 PolarHBondContact O-N 2.91Å; L138-Y142 PolarHBondContact O-N 2.97Å
139	L	92.7	Very high	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-40.5	176	-71.4	172.3	0	0	0	111.5	M126 P129 G135 L136 Y142 Y143 V187 N190 I191 L194	M126-L139 HydrophobicContact CB-CD2 4.03Å; M126-L139 HydrophobicContact CG-CD2 4.01Å; P129-L139 HydrophobicContact CB-CD1 4.25Å; P129-L139 HydrophobicContact CB-CD2 4.41Å; P129-L139 HydrophobicContact CB-CG 4.1Å; P129-L139 HydrophobicContact CG-CD1 4.15Å; P129-L139 HydrophobicContact CG-CD2 4.34Å; P129-L139 HydrophobicContact CG-CG 4.34Å; G135-L139 WeakPolarHBondContact O-CG 3.36Å; G135-L139 PolarHBondContact O-N 2.88Å; L136-L139 PolarHBondContact O-N 2.65Å; L139-Y142 PolarHBondContact O-N 3.37Å; L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 PolarHBondContact O-N 3.03Å; L139-V187 HydrophobicContact CD2-CG1 4.49Å; L139-N190 HydrophobicContact CD1-CB 4.25Å; L139-N190 HydrophobicContact CD2-CB 4.47Å; L139-I191 HydrophobicContact CB-CD1 4.2Å; L139-I191 HydrophobicContact CB-CG1 3.61Å; L139-I191 HydrophobicContact CD1-CG1 4.08Å; L139-I191 HydrophobicContact CG-CG1 4.48Å; L139-L194 HydrophobicContact CD1-CB 4.43Å; L139-L194 HydrophobicContact CD1-CD2 3.82Å
140	M	94.1	Very high	89.9	Confident	18 Å²	18	34.6 Å²	34.6	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-39	177.5	-173.1	62.1	99.3	0	0	112.1	L136 E137 L138 Y142 Y143 N144 I191 S456 F457 V460	L136-M140 WeakPolarHBondContact O-CB 3.27Å; L136-M140 PolarHBondContact O-N 3.24Å; E137-M140 PolarHBondContact O-N 3.19Å; L138-M140 VanDerWaalsContact C-N 3.34Å; M140-Y142 VanDerWaalsContact C-N 3.33Å; M140-Y142 PolarHBondContact O-N 2.97Å; M140-Y143 PolarHBondContact O-N 3.34Å; M140-Y143 HydrophobicContact SD-CD1 4.3Å; M140-N144 WeakPolarHBondContact O-CB 3.5Å; M140-N144 PolarHBondContact O-N 2.85Å; M140-I191 HydrophobicContact SD-CD1 4.41Å; M140-S456 VanDerWaalsContact CE-O 3.23Å; M140-S456 WeakPolarHBondContact CE-O 3.43Å; M140-F457 HydrophobicContact CE-CD1 3.9Å; M140-F457 HydrophobicContact CE-CE1 4.46Å; M140-F457 HydrophobicContact SD-CD1 3.85Å; M140-V460 HydrophobicContact CB-CB 4.31Å; M140-V460 HydrophobicContact CB-CG2 3.98Å; M140-V460 HydrophobicContact CG-CB 3.93Å; M140-V460 HydrophobicContact CG-CG2 3.92Å
141	E	91.7	Very high	90.1	Very high	36 Å²	36	36.2 Å²	36.2	17%	0.168	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-50.1	173	-166.9	-175.3	159	0	0	109.9	R16 E137 L138 N144 Q145 V460 V462	R16-E141 WeakPolarHBondContact CD-OE2 3.42Å; E137-E141 VanDerWaalsContact O-CB 3.28Å; E137-E141 WeakPolarHBondContact O-CB 3.35Å; E137-E141 PolarHBondContact O-N 3.22Å; L138-E141 PolarHBondContact O-N 2.91Å; E141-N144 PolarHBondContact O-N 3.07Å; E141-Q145 WeakPolarHBondContact O-CG 3.46Å; E141-Q145 PolarHBondContact O-N 3.49Å; E141-V460 HydrophobicContact CB-CG1 3.93Å; E141-V460 HydrophobicContact CG-CG1 4.32Å; E141-V462 HydrophobicContact CB-CG1 4.31Å; E141-V462 HydrophobicContact CG-CG1 3.56Å
142	Y	91.6	Very high	90.2	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-47.2	176.1	179.1	-112	0	0	0	112.3	I123 M126 L138 L139 M140 N144 Q145 L146 E183 V187	I123-Y142 HydrophobicContact CD1-CE2 4.07Å; I123-Y142 HydrophobicContact CG1-CD2 4.05Å; I123-Y142 HydrophobicContact CG1-CE2 3.38Å; M126-Y142 HydrophobicContact CE-CD1 3.41Å; M126-Y142 VanDerWaalsContact CE-CD1 3.41Å; M126-Y142 HydrophobicContact CE-CD2 3.6Å; M126-Y142 HydrophobicContact CE-CE1 3.2Å; M126-Y142 HydrophobicContact CE-CE2 3.43Å; M126-Y142 VanDerWaalsContact CE-CE2 3.43Å; M126-Y142 HydrophobicContact CE-CG 3.57Å; M126-Y142 HydrophobicContact CG-CD1 4.06Å; M126-Y142 HydrophobicContact CG-CE1 4.5Å; M126-Y142 HydrophobicContact CG-CG 4.38Å; L138-Y142 PolarHBondContact O-N 2.97Å; L139-Y142 PolarHBondContact O-N 3.37Å; M140-Y142 VanDerWaalsContact C-N 3.33Å; M140-Y142 PolarHBondContact O-N 2.97Å; Y142-N144 PolarHBondContact O-N 3.32Å; Y142-Q145 WeakPolarHBondContact O-CB 3.23Å; Y142-Q145 PolarHBondContact O-N 3.36Å; Y142-L146 HydrophobicContact CD1-CD1 4.23Å; Y142-L146 HydrophobicContact CD1-CG 4.41Å; Y142-L146 HydrophobicContact CE1-CD1 3.76Å; Y142-L146 HydrophobicContact CE1-CD2 4.02Å; Y142-L146 HydrophobicContact CE1-CG 4.02Å; Y142-L146 HydrophobicContact CE2-CD2 3.87Å; Y142-L146 HydrophobicContact CE2-CG 4.34Å; Y142-L146 WeakPolarHBondContact O-CG 3.41Å; Y142-L146 PolarHBondContact O-N 3.5Å; Y142-E183 HydrophobicContact CE1-CG 4.25Å; Y142-E183 WeakPolarHBondContact CE1-OE1 3.28Å; Y142-E183 PolarHBondContact OH-OE1 3.44Å; Y142-V187 HydrophobicContact CD1-CB 4.43Å; Y142-V187 HydrophobicContact CD1-CG1 4.05Å; Y142-V187 HydrophobicContact CD1-CG2 3.51Å; Y142-V187 HydrophobicContact CE1-CG2 3.42Å; Y142-V187 VanDerWaalsContact CE1-CG2 3.42Å
143	Y	93.1	Very high	90.1	Very high	26 Å²	26	36.3 Å²	36.3	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-54.1	-43.7	177.3	-177.2	-87.2	0	0	0	111.7	L139 M140 L146 K184 V187 L188 F457	L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 PolarHBondContact O-N 3.03Å; M140-Y143 PolarHBondContact O-N 3.34Å; M140-Y143 HydrophobicContact SD-CD1 4.3Å; Y143-L146 WeakPolarHBondContact O-CB 3.34Å; Y143-L146 PolarHBondContact O-N 3.15Å; Y143-K184 HydrophobicContact CE2-CB 4.03Å; Y143-K184 WeakPolarHBondContact CE2-O 3.44Å; Y143-V187 HydrophobicContact CD2-CB 4.39Å; Y143-V187 HydrophobicContact CD2-CG1 4.28Å; Y143-L188 HydrophobicContact CD2-CB 4.36Å; Y143-L188 HydrophobicContact CE2-CB 4Å; Y143-F457 AromaticContact CD1-CD1 3.8Å; Y143-F457 HydrophobicContact CD1-CD1 3.8Å; Y143-F457 AromaticContact CD1-CE1 3.95Å; Y143-F457 HydrophobicContact CD1-CE1 3.95Å; Y143-F457 AromaticContact CE1-CD1 3.41Å; Y143-F457 HydrophobicContact CE1-CD1 3.41Å; Y143-F457 VanDerWaalsContact CE1-CD1 3.41Å; Y143-F457 AromaticContact CE1-CE1 3.28Å; Y143-F457 HydrophobicContact CE1-CE1 3.28Å; Y143-F457 HydrophobicContact CE1-CG 4.44Å; Y143-F457 HydrophobicContact CE1-CZ 4.24Å; Y143-F457 AromaticContact CZ-CE1 3.66Å
144	N	92.5	Very high	89.8	Confident	23 Å²	23	33 Å²	33	12%	0.123	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-33.1	178.5	-69	-16.5	0	0	0	112	M140 E141 Y142 L146 Y147 F457 V460 V462	M140-N144 WeakPolarHBondContact O-CB 3.5Å; M140-N144 PolarHBondContact O-N 2.85Å; E141-N144 PolarHBondContact O-N 3.07Å; Y142-N144 PolarHBondContact O-N 3.32Å; N144-L146 VanDerWaalsContact C-N 3.26Å; N144-L146 PolarHBondContact O-N 3.08Å; N144-Y147 VanDerWaalsContact O-CB 3.25Å; N144-Y147 WeakPolarHBondContact O-CB 3.22Å; N144-Y147 PolarHBondContact O-N 3.13Å; N144-Y147 VanDerWaalsContact O-N 3.11Å; N144-F457 PolarHBondContact ND2-O 3.49Å; N144-V460 PolarHBondContact ND2-O 3.06Å; N144-V462 HydrophobicContact CB-CB 4.39Å; N144-V462 HydrophobicContact CB-CG1 4.11Å; N144-V462 HydrophobicContact CB-CG2 3.36Å
145	Q	90.5	Very high	89.1	Confident	20 Å²	20	31.5 Å²	31.5	9%	0.093	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-31.9	171.7	-70.5	-65	-12.7	0	0	112.8	E141 Y142 Y147 Y148 L149 V462 S463	E141-Q145 WeakPolarHBondContact O-CG 3.46Å; E141-Q145 PolarHBondContact O-N 3.49Å; Y142-Q145 WeakPolarHBondContact O-CB 3.23Å; Y142-Q145 PolarHBondContact O-N 3.36Å; Q145-Y147 PolarHBondContact O-N 3.19Å; Q145-Y147 VanDerWaalsContact O-N 3.15Å; Q145-Y148 PolarHBondContact O-N 2.91Å; Q145-Y148 VanDerWaalsContact O-N 3.09Å; Q145-L149 PolarHBondContact O-N 3.01Å; Q145-V462 HydrophobicContact CG-CG1 4.41Å; Q145-S463 PolarHBondContact NE2-O 3.45Å; Q145-S463 PolarHBondContact OE1-O 3.44Å
146	L	89.8	Confident	88.1	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-20.9	175.2	-62.9	177.3	0	0	0	112.6	Y142 Y143 N144 L149 D150 L180 E183 K184 V187	Y142-L146 HydrophobicContact CD1-CD1 4.23Å; Y142-L146 HydrophobicContact CD1-CG 4.41Å; Y142-L146 HydrophobicContact CE1-CD1 3.76Å; Y142-L146 HydrophobicContact CE1-CD2 4.02Å; Y142-L146 HydrophobicContact CE1-CG 4.02Å; Y142-L146 HydrophobicContact CE2-CD2 3.87Å; Y142-L146 HydrophobicContact CE2-CG 4.34Å; Y142-L146 WeakPolarHBondContact O-CG 3.41Å; Y142-L146 PolarHBondContact O-N 3.5Å; Y143-L146 WeakPolarHBondContact O-CB 3.34Å; Y143-L146 PolarHBondContact O-N 3.15Å; N144-L146 VanDerWaalsContact C-N 3.26Å; N144-L146 PolarHBondContact O-N 3.08Å; L146-L149 HydrophobicContact CD2-CD2 4.49Å; L146-D150 WeakPolarHBondContact O-CB 3.37Å; L146-D150 PolarHBondContact O-N 3.02Å; L146-L180 HydrophobicContact CD2-CD1 4.14Å; L146-E183 HydrophobicContact CD1-CB 4.4Å; L146-E183 HydrophobicContact CD1-CG 3.74Å; L146-E183 HydrophobicContact CD2-CG 4.05Å; L146-K184 HydrophobicContact CB-CD 4.33Å; L146-K184 HydrophobicContact CB-CG 3.79Å; L146-K184 HydrophobicContact CD1-CB 4.3Å; L146-K184 HydrophobicContact CD1-CG 3.59Å; L146-K184 HydrophobicContact CG-CG 4.35Å; L146-K184 VanDerWaalsContact O-CE 3.24Å; L146-K184 WeakPolarHBondContact O-CE 3.36Å; L146-K184 PolarHBondContact O-NZ 3.07Å; L146-V187 HydrophobicContact CD1-CG2 4.33Å
147	Y	89.8	Confident	86.9	Confident	118 Å²	118	43.7 Å²	43.7	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-50.4	170.7	170.8	-98.4	0	0	0	111.5	N144 Q145 L149 D150 Q151	N144-Y147 VanDerWaalsContact O-CB 3.25Å; N144-Y147 WeakPolarHBondContact O-CB 3.22Å; N144-Y147 PolarHBondContact O-N 3.13Å; N144-Y147 VanDerWaalsContact O-N 3.11Å; Q145-Y147 PolarHBondContact O-N 3.19Å; Q145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-L149 VanDerWaalsContact C-N 3.32Å; Y147-L149 PolarHBondContact O-N 3.47Å; Y147-D150 VanDerWaalsContact O-CB 3.28Å; Y147-D150 WeakPolarHBondContact O-CB 3.24Å; Y147-D150 PolarHBondContact O-N 2.93Å; Y147-Q151 HydrophobicContact CD1-CG 4.39Å; Y147-Q151 HydrophobicContact CD2-CG 4.27Å; Y147-Q151 HydrophobicContact CE1-CG 3.95Å; Y147-Q151 HydrophobicContact CE2-CG 3.82Å; Y147-Q151 WeakPolarHBondContact O-CG 3.36Å; Y147-Q151 PolarHBondContact O-N 2.99Å
148	Y	89	Confident	85.7	Confident	48 Å²	48	48.4 Å²	48.4	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-39.3	-180	-64.1	-59.5	0	0	0	112	Q145 D150 Q151 R152 V462 D464 L472	Q145-Y148 PolarHBondContact O-N 2.91Å; Q145-Y148 VanDerWaalsContact O-N 3.09Å; Y148-D150 VanDerWaalsContact C-N 3.32Å; Y148-D150 PolarHBondContact O-N 3.32Å; Y148-Q151 PolarHBondContact O-N 3.35Å; Y148-R152 WeakPolarHBondContact O-CB 3.46Å; Y148-R152 VanDerWaalsContact O-CG 3.29Å; Y148-R152 WeakPolarHBondContact O-CG 3.48Å; Y148-R152 PolarHBondContact O-N 3.36Å; Y148-V462 HydrophobicContact CE2-CG2 3.92Å; Y148-V462 PolarHBondContact OH-O 3.18Å; Y148-D464 HydrophobicContact CD1-CB 3.74Å; Y148-D464 HydrophobicContact CD2-CB 3.92Å; Y148-D464 HydrophobicContact CE1-CB 3.85Å; Y148-D464 HydrophobicContact CE2-CB 3.98Å; Y148-D464 HydrophobicContact CG-CB 3.78Å; Y148-L472 HydrophobicContact CD1-CD1 3.65Å; Y148-L472 HydrophobicContact CD1-CD2 4.45Å; Y148-L472 HydrophobicContact CE1-CD1 3.68Å
149	L	88.1	Confident	84.6	Confident	35 Å²	35	53.2 Å²	53.2	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-42.8	175.7	-172.2	131.9	0	0	0	111.5	Q145 L146 Y147 F153 F154 L180 F466	Q145-L149 PolarHBondContact O-N 3.01Å; L146-L149 HydrophobicContact CD2-CD2 4.49Å; Y147-L149 VanDerWaalsContact C-N 3.32Å; Y147-L149 PolarHBondContact O-N 3.47Å; L149-F153 HydrophobicContact CG-CD2 4.33Å; L149-F153 PolarHBondContact O-N 3.39Å; L149-F154 HydrophobicContact CD2-CD2 3.76Å; L149-F154 HydrophobicContact CD2-CE2 3.19Å; L149-F154 HydrophobicContact CD2-CZ 4Å; L149-F154 HydrophobicContact CG-CD2 4.44Å; L149-F154 HydrophobicContact CG-CE2 3.97Å; L149-F154 WeakPolarHBondContact O-CD2 3.35Å; L149-L180 HydrophobicContact CD2-CD1 3.38Å; L149-L180 HydrophobicContact CD2-CD2 3.77Å; L149-L180 HydrophobicContact CD2-CG 4.23Å; L149-F466 HydrophobicContact CB-CE2 4.42Å; L149-F466 HydrophobicContact CD1-CE2 4.27Å; L149-F466 HydrophobicContact CD1-CZ 4.35Å
150	D	87.3	Confident	83.7	Confident	51 Å²	51	57.3 Å²	57.3	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-56.2	173.3	-154.2	12.1	0	0	0	111.2	L146 Y147 Y148 R152 F154 L180 K184	L146-D150 WeakPolarHBondContact O-CB 3.37Å; L146-D150 PolarHBondContact O-N 3.02Å; Y147-D150 VanDerWaalsContact O-CB 3.28Å; Y147-D150 WeakPolarHBondContact O-CB 3.24Å; Y147-D150 PolarHBondContact O-N 2.93Å; Y148-D150 VanDerWaalsContact C-N 3.32Å; Y148-D150 PolarHBondContact O-N 3.32Å; D150-R152 VanDerWaalsContact C-N 3.25Å; D150-R152 PolarHBondContact O-N 3.47Å; D150-F154 PolarHBondContact O-N 3.43Å; D150-L180 VanDerWaalsContact CA-CD2 3.48Å; D150-L180 HydrophobicContact CB-CD2 3.37Å; D150-K184 IonicContact OD2-NZ 2.73Å; D150-K184 PolarHBondContact OD2-NZ 3.2Å
151	Q	87.8	Confident	82.9	Confident	57 Å²	57	58.3 Å²	58.3	27%	0.266	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-30.4	-175.4	-67.1	-55.7	-41.3	0	0	112.8	Y147 Y148 L472 C476 S477	Y147-Q151 HydrophobicContact CD1-CG 4.39Å; Y147-Q151 HydrophobicContact CD2-CG 4.27Å; Y147-Q151 HydrophobicContact CE1-CG 3.95Å; Y147-Q151 HydrophobicContact CE2-CG 3.82Å; Y147-Q151 WeakPolarHBondContact O-CG 3.36Å; Y147-Q151 PolarHBondContact O-N 2.99Å; Y148-Q151 PolarHBondContact O-N 3.35Å; Q151-L472 HydrophobicContact CB-CD2 4.11Å; Q151-C476 CarbonylContact O-C 3.54Å; Q151-C476 WeakPolarHBondContact O-CA 3.35Å; Q151-C476 WeakPolarHBondContact O-CB 3.39Å; Q151-S477 PolarHBondContact O-N 2.98Å; Q151-S477 PolarHBondContact O-OG 3.23Å
152	R	86.7	Confident	82.4	Confident	17 Å²	17	58.7 Å²	58.7	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-89.2	-40.1	-176.6	-71.2	-175.2	174.9	-84.1	6.3	113.8	Y148 D150 D464 F466 G470 L472 F475 S477	Y148-R152 WeakPolarHBondContact O-CB 3.46Å; Y148-R152 VanDerWaalsContact O-CG 3.29Å; Y148-R152 WeakPolarHBondContact O-CG 3.48Å; Y148-R152 PolarHBondContact O-N 3.36Å; D150-R152 VanDerWaalsContact C-N 3.25Å; D150-R152 PolarHBondContact O-N 3.47Å; R152-D464 IonicContact CZ-OD2 2.86Å; R152-D464 IonicContact NE-OD1 3.58Å; R152-D464 PolarHBondContact NE-OD1 3.31Å; R152-D464 IonicContact NE-OD2 2.73Å; R152-D464 PolarHBondContact NE-OD2 2.83Å; R152-D464 IonicContact NH2-OD1 3.38Å; R152-D464 IonicContact NH2-OD2 3.92Å; R152-D464 PolarHBondContact NH2-OD2 2.91Å; R152-F466 PolarHBondContact NH2-O 3.38Å; R152-G470 VanDerWaalsContact CZ-O 3.32Å; R152-G470 PolarHBondContact NH1-O 3.01Å; R152-G470 PolarHBondContact NH2-O 3.19Å; R152-L472 HydrophobicContact CG-CD2 3.5Å; R152-L472 VanDerWaalsContact CG-CD2 3.5Å; R152-F475 PolarHBondContact NH1-O 3.1Å; R152-S477 WeakPolarHBondContact O-CA 3.22Å; R152-S477 PolarHBondContact O-N 3.49Å
153	F	84.1	Confident	82	Confident	65 Å²	65	61.7 Å²	61.7	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-119	-28.5	-166.4	-54.1	-72.8	0	0	0	113.9	L149 L160 F466 L469	L149-F153 HydrophobicContact CG-CD2 4.33Å; L149-F153 PolarHBondContact O-N 3.39Å; F153-L160 HydrophobicContact CB-CD1 3.58Å; F153-L160 WeakPolarHBondContact O-CD1 3.45Å; F153-F466 AromaticContact CE2-CD1 3.85Å; F153-F466 HydrophobicContact CE2-CD1 3.85Å; F153-F466 AromaticContact CE2-CD2 3.76Å; F153-F466 HydrophobicContact CE2-CD2 3.76Å; F153-F466 AromaticContact CE2-CE1 3.82Å; F153-F466 HydrophobicContact CE2-CE1 3.82Å; F153-F466 AromaticContact CE2-CE2 3.73Å; F153-F466 HydrophobicContact CE2-CE2 3.73Å; F153-F466 AromaticContact CE2-CG 3.82Å; F153-F466 HydrophobicContact CE2-CG 3.82Å; F153-F466 AromaticContact CE2-CZ 3.76Å; F153-F466 HydrophobicContact CE2-CZ 3.76Å; F153-F466 AromaticContact CZ-CD1 3.81Å; F153-F466 HydrophobicContact CZ-CD1 3.81Å; F153-F466 HydrophobicContact CZ-CD2 4.45Å; F153-F466 AromaticContact CZ-CE1 4Å; F153-F466 HydrophobicContact CZ-CE1 4Å; F153-F466 HydrophobicContact CZ-CG 4.05Å; F153-F466 HydrophobicContact CZ-CZ 4.4Å; F153-L469 HydrophobicContact CE1-CD1 3.94Å; F153-L469 HydrophobicContact CZ-CD1 3.57Å
154	F	82.2	Confident	81.7	Confident	35 Å²	35	61.2 Å²	61.2	15%	0.154	31%	0.31	C	S	.	.			trans	-99.3	119.8	-174.2	-68.1	-101	0	0	0	110.9	L149 D150 L160 F164 L180 S477	L149-F154 HydrophobicContact CD2-CD2 3.76Å; L149-F154 HydrophobicContact CD2-CE2 3.19Å; L149-F154 HydrophobicContact CD2-CZ 4Å; L149-F154 HydrophobicContact CG-CD2 4.44Å; L149-F154 HydrophobicContact CG-CE2 3.97Å; L149-F154 WeakPolarHBondContact O-CD2 3.35Å; D150-F154 PolarHBondContact O-N 3.43Å; F154-L160 HydrophobicContact CD1-CD1 4.41Å; F154-L160 HydrophobicContact CD2-CD1 4.06Å; F154-L160 HydrophobicContact CE1-CD1 4.18Å; F154-L160 HydrophobicContact CE2-CD1 3.74Å; F154-L160 HydrophobicContact CG-CD1 4.37Å; F154-L160 HydrophobicContact CZ-CD1 3.83Å; F154-F164 HydrophobicContact CE1-CE2 4.07Å; F154-F164 HydrophobicContact CE1-CZ 4.25Å; F154-F164 HydrophobicContact CZ-CE2 4.16Å; F154-F164 AromaticContact CZ-CZ 3.87Å; F154-F164 HydrophobicContact CZ-CZ 3.87Å; F154-L180 HydrophobicContact CD1-CB 4.12Å; F154-L180 HydrophobicContact CD2-CD2 4.08Å; F154-L180 HydrophobicContact CE1-CB 4.29Å; F154-L180 HydrophobicContact CE2-CD1 4.44Å; F154-L180 HydrophobicContact CE2-CD2 4.49Å; F154-L180 HydrophobicContact CG-CB 4.31Å; F154-L180 HydrophobicContact CG-CD2 4.3Å; F154-L180 HydrophobicContact CZ-CD1 4.42Å; F154-S477 VanDerWaalsContact C-CB 3.46Å; F154-S477 WeakPolarHBondContact O-CB 3.43Å; F154-S477 PolarHBondContact O-OG 2.99Å
155	S	74.6	Confident	81.4	Confident	24 Å²	24	63 Å²	63	17%	0.168	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-134.6	149.8	176.5	164.2	0	0	0	0	109.3	H157 R158 S477	S155-H157 PolarHBondContact O-N 2.89Å; S155-R158 PolarHBondContact O-N 3.33Å; S155-R158 VanDerWaalsContact O-N 3.07Å; S155-S477 WeakPolarHBondContact CB-O 3.39Å; S155-S477 PolarHBondContact OG-O 3.2Å
156	S	69.1	Low	81.4	Confident	123 Å²	123	62.2 Å²	62.2	86%	0.86	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.4	-179.5	-54.4	0	0	0	0	113.7
157	H	66.2	Low	81.3	Confident	145 Å²	145	62.6 Å²	62.6	67%	0.671	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-9.2	-177.6	-54.5	-57.8	0	0	0	114.1	S155	S155-H157 PolarHBondContact O-N 2.89Å
158	R	67.9	Low	81.2	Confident	148 Å²	148	57.3 Å²	57.3	56%	0.558	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-116.5	122.6	179.8	-73.6	-169.7	-177.6	-160.1	2	110.5	S155	S155-R158 PolarHBondContact O-N 3.33Å; S155-R158 VanDerWaalsContact O-N 3.07Å
159	N	66.9	Low	81.1	Confident	106 Å²	106	55.4 Å²	55.4	57%	0.567	29%	0.288	S	S	*	.			trans	-110.5	109.3	178.1	-164.3	-27.4	0	0	0	110.1	G161 R178	N159-G161 PolarHBondContact O-N 2.97Å; N159-G161 PolarHBondContact OD1-N 3.48Å; N159-R178 VanDerWaalsContact CG-CZ 3.46Å; N159-R178 PolarHBondContact ND2-NE 3.23Å; N159-R178 VanDerWaalsContact ND2-NE 3.1Å; N159-R178 PolarHBondContact ND2-NH2 2.85Å; N159-R178 PolarHBondContact OD1-NE 3.08Å; N159-R178 PolarHBondContact OD1-NH2 3.37Å
160	L	75.5	Confident	80.9	Confident	86 Å²	86	54.2 Å²	54.2	45%	0.45	28%	0.282	S	S	.	.			trans	-73.3	-4.3	-177.2	-61.9	168.3	0	0	0	113.9	F153 F154 V162	F153-L160 HydrophobicContact CB-CD1 3.58Å; F153-L160 WeakPolarHBondContact O-CD1 3.45Å; F154-L160 HydrophobicContact CD1-CD1 4.41Å; F154-L160 HydrophobicContact CD2-CD1 4.06Å; F154-L160 HydrophobicContact CE1-CD1 4.18Å; F154-L160 HydrophobicContact CE2-CD1 3.74Å; F154-L160 HydrophobicContact CG-CD1 4.37Å; F154-L160 HydrophobicContact CZ-CD1 3.83Å; L160-V162 HydrophobicContact CB-CG2 4Å; L160-V162 PolarHBondContact O-N 3.17Å
161	G	75.6	Confident	80.6	Confident	38 Å²	38	53.9 Å²	53.9	39%	0.392	28%	0.281	S	S	.	.			trans	76.1	0.1	-177.1	0	0	0	0	0	114.8	N159 H163	N159-G161 PolarHBondContact O-N 2.97Å; N159-G161 PolarHBondContact OD1-N 3.48Å; G161-H163 PolarHBondContact O-CE1 3.4Å; G161-H163 PolarHBondContact O-ND1 3.02Å
162	V	81.9	Confident	80.2	Confident	44 Å²	44	51.2 Å²	51.2	27%	0.267	27%	0.27	S	S	.	.			trans	-73.8	135.5	179.6	-176.5	0	0	0	0	110.5	L160 F164 R178	L160-V162 HydrophobicContact CB-CG2 4Å; L160-V162 PolarHBondContact O-N 3.17Å; V162-F164 HydrophobicContact CG1-CE1 4.25Å; V162-F164 HydrophobicContact CG1-CE2 4.44Å; V162-F164 HydrophobicContact CG1-CZ 4.07Å; V162-R178 WeakPolarHBondContact O-CA 3.43Å
163	H	84	Confident	79.9	Confident	82 Å²	82	53.9 Å²	53.9	38%	0.38	29%	0.288	S	S	.	.			trans	-118.9	126.3	175.2	-66.3	75.4	0	0	0	109.3	G161 R178	G161-H163 PolarHBondContact O-CE1 3.4Å; G161-H163 PolarHBondContact O-ND1 3.02Å; H163-R178 WeakPolarHBondContact NE2-CG 3.44Å
164	F	86.8	Confident	79.9	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.075	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.6	172.5	-58.5	-74.3	0	0	0	108.7	F154 V162 S176 Q177 L180 F182 E183	F154-F164 HydrophobicContact CE1-CE2 4.07Å; F154-F164 HydrophobicContact CE1-CZ 4.25Å; F154-F164 HydrophobicContact CZ-CE2 4.16Å; F154-F164 AromaticContact CZ-CZ 3.87Å; F154-F164 HydrophobicContact CZ-CZ 3.87Å; V162-F164 HydrophobicContact CG1-CE1 4.25Å; V162-F164 HydrophobicContact CG1-CE2 4.44Å; V162-F164 HydrophobicContact CG1-CZ 4.07Å; F164-S176 VanDerWaalsContact O-CA 3.27Å; F164-S176 WeakPolarHBondContact O-CA 3.42Å; F164-Q177 PolarHBondContact N-O 2.75Å; F164-Q177 PolarHBondContact O-N 3.2Å; F164-L180 HydrophobicContact CE1-CD1 4.1Å; F164-L180 HydrophobicContact CE2-CB 4.28Å; F164-L180 HydrophobicContact CE2-CD1 3.93Å; F164-L180 HydrophobicContact CZ-CD1 3.43Å; F164-L180 VanDerWaalsContact CZ-CD1 3.43Å; F164-F182 HydrophobicContact CB-CD1 4.01Å; F164-F182 WeakPolarHBondContact O-CE1 3.47Å; F164-E183 HydrophobicContact CB-CB 4.44Å; F164-E183 HydrophobicContact CD1-CB 3.7Å; F164-E183 HydrophobicContact CD1-CG 3.88Å; F164-E183 WeakPolarHBondContact CD1-OE2 3.31Å; F164-E183 HydrophobicContact CD2-CB 4.35Å; F164-E183 HydrophobicContact CE1-CB 3.99Å; F164-E183 HydrophobicContact CE1-CG 4.02Å; F164-E183 HydrophobicContact CG-CB 3.9Å; F164-E183 HydrophobicContact CZ-CB 4.44Å
165	H	86.6	Confident	80.1	Confident	60 Å²	60	52.5 Å²	52.5	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.2	-174.9	-67.7	-73.5	0	0	0	110.3	T114 K115 S175 S176	T114-H165 WeakPolarHBondContact CA-O 3.28Å; T114-H165 WeakPolarHBondContact CB-O 3.35Å; T114-H165 PolarHBondContact OG1-O 2.95Å; K115-H165 HydrophobicContact CB-CB 4.34Å; K115-H165 HydrophobicContact CD-CB 3.93Å; K115-H165 HydrophobicContact CG-CB 4.04Å; H165-S175 WeakPolarHBondContact CA-O 3.16Å; H165-S176 PolarHBondContact CE1-OG 3.02Å; H165-S176 WeakPolarHBondContact ND1-CB 3.35Å; H165-S176 PolarHBondContact ND1-OG 3.13Å; H165-S176 VanDerWaalsContact ND1-OG 3.13Å
166	W	90.2	Very high	80.8	Confident	4 Å²	4	54 Å²	54	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.8	176.7	-69.5	85.9	0	0	0	111.4	K112 E113 T114 S175 F182 E183 V187	K112-W166 HydrophobicContact CB-CE3 3.7Å; K112-W166 HydrophobicContact CB-CZ3 4.01Å; E113-W166 WeakPolarHBondContact O-CA 3.46Å; T114-W166 HydrophobicContact CG2-CH2 3.96Å; T114-W166 HydrophobicContact CG2-CZ2 4.2Å; T114-W166 HydrophobicContact CG2-CZ3 4.12Å; W166-S175 PolarHBondContact N-O 2.84Å; W166-S175 PolarHBondContact O-N 3.01Å; W166-S175 VanDerWaalsContact O-O 3.09Å; W166-F182 HydrophobicContact CB-CE1 4.27Å; W166-F182 HydrophobicContact CB-CE2 4.05Å; W166-F182 HydrophobicContact CB-CZ 3.63Å; W166-F182 AromaticContact CD1-CE1 3.89Å; W166-F182 AromaticContact CD1-CZ 3.92Å; W166-F182 HydrophobicContact CG-CE1 4.48Å; W166-F182 HydrophobicContact CG-CE2 4.36Å; W166-F182 HydrophobicContact CG-CZ 4.13Å; W166-E183 PolarHBondContact NE1-OE2 3.2Å; W166-V187 HydrophobicContact CH2-CG2 4.35Å; W166-V187 HydrophobicContact CZ2-CG2 4.18Å
167	Y	86.6	Confident	81.6	Confident	12 Å²	12	51 Å²	51	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.8	174.2	-58.7	-99	0	0	0	109.5	N38 N42 K112 E113 K115 S169 G172 P174	N38-Y167 HydrophobicContact CB-CD1 3.85Å; N38-Y167 HydrophobicContact CB-CE1 3.79Å; N38-Y167 HydrophobicContact CB-CG 4.39Å; N42-Y167 WeakPolarHBondContact ND2-CE1 3.11Å; N42-Y167 PolarHBondContact ND2-OH 2.7Å; K112-Y167 PolarHBondContact NZ-O 3.23Å; E113-Y167 HydrophobicContact CB-CD2 3.9Å; E113-Y167 HydrophobicContact CB-CG 4.48Å; E113-Y167 WeakPolarHBondContact O-CD2 3.25Å; E113-Y167 PolarHBondContact O-N 2.94Å; K115-Y167 HydrophobicContact CG-CE2 4.22Å; Y167-S169 PolarHBondContact O-N 3.44Å; Y167-G172 WeakPolarHBondContact CD1-O 3.39Å; Y167-P174 HydrophobicContact CD1-CB 4.14Å; Y167-P174 HydrophobicContact CE1-CB 4.15Å
168	D	88.8	Confident	82.5	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.032	26%	0.259	C	S	.	.			trans	-55.5	129.5	170	-175.8	-81.9	0	0	0	110.2	L170 T171 G172 V173 D238 Y304	D168-L170 VanDerWaalsContact C-N 3.27Å; D168-L170 PolarHBondContact O-N 3.01Å; D168-L170 PolarHBondContact OD1-N 2.78Å; D168-T171 WeakPolarHBondContact CB-OG1 3.43Å; D168-T171 PolarHBondContact OD1-N 3.37Å; D168-T171 PolarHBondContact OD1-OG1 3.25Å; D168-G172 WeakPolarHBondContact O-CA 3.35Å; D168-G172 PolarHBondContact O-N 3.35Å; D168-V173 HydrophobicContact CB-CB 4.2Å; D168-V173 WeakPolarHBondContact CB-O 3.45Å; D168-V173 PolarHBondContact N-O 2.94Å; D168-D238 WeakPolarHBondContact CA-OD2 3.23Å; D168-D238 PolarHBondContact OD2-N 2.7Å; D168-D238 VanDerWaalsContact OD2-N 3.14Å; D168-Y304 PolarHBondContact OD1-OH 2.93Å; D168-Y304 PolarHBondContact OD2-OH 2.85Å
169	S	86.2	Confident	83.5	Confident	8 Å²	8	44.5 Å²	44.5	6%	0.056	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.9	-172.3	51.4	0	0	0	0	114.3	Y167 F189 D238	Y167-S169 PolarHBondContact O-N 3.44Å; S169-F189 WeakPolarHBondContact OG-CE1 3.4Å; S169-F189 WeakPolarHBondContact OG-CZ 3.44Å; S169-D238 PolarHBondContact N-OD2 3.41Å; S169-D238 WeakPolarHBondContact OG-CB 3.48Å; S169-D238 PolarHBondContact OG-OD2 3.44Å
170	L	84.2	Confident	84.4	Confident	11 Å²	11	39.8 Å²	39.8	6%	0.058	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-36.8	-176.2	-61.2	-179	0	0	0	112	N89 D168 Y304 W309	N89-L170 PolarHBondContact ND2-O 3.04Å; D168-L170 VanDerWaalsContact C-N 3.27Å; D168-L170 PolarHBondContact O-N 3.01Å; D168-L170 PolarHBondContact OD1-N 2.78Å; L170-Y304 HydrophobicContact CB-CE1 4.47Å; L170-Y304 HydrophobicContact CB-CE2 4.35Å; L170-Y304 HydrophobicContact CD1-CD1 4.19Å; L170-Y304 HydrophobicContact CD1-CE1 3.53Å; L170-Y304 HydrophobicContact CG-CE1 4.47Å; L170-W309 HydrophobicContact CD2-CH2 3.5Å; L170-W309 HydrophobicContact CD2-CZ2 4.22Å; L170-W309 HydrophobicContact CD2-CZ3 3.76Å
171	T	81.4	Confident	85.1	Confident	43 Å²	43	38.1 Å²	38.1	26%	0.264	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-12.7	-173.6	58.6	0	0	0	0	114.5	L85 D168 V173 Y304	L85-T171 WeakPolarHBondContact CD2-O 3.29Å; D168-T171 WeakPolarHBondContact CB-OG1 3.43Å; D168-T171 PolarHBondContact OD1-N 3.37Å; D168-T171 PolarHBondContact OD1-OG1 3.25Å; T171-V173 PolarHBondContact O-N 3.09Å; T171-V173 WeakPolarHBondContact OG1-CG2 3.4Å; T171-V173 PolarHBondContact OG1-N 3.28Å; T171-Y304 HydrophobicContact CG2-CD2 3.42Å; T171-Y304 VanDerWaalsContact CG2-CD2 3.42Å; T171-Y304 HydrophobicContact CG2-CE2 3.36Å
172	G	77.8	Confident	85.8	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.021	21%	0.207	C	C	.	.			trans	68.5	8.1	-173.8	0	0	0	0	0	114.8	N38 Y167 D168	N38-G172 WeakPolarHBondContact OD1-CA 3.38Å; Y167-G172 WeakPolarHBondContact CD1-O 3.39Å; D168-G172 WeakPolarHBondContact O-CA 3.35Å; D168-G172 PolarHBondContact O-N 3.35Å
173	V	81.7	Confident	86.3	Confident	73 Å²	73	34.9 Å²	34.9	44%	0.442	20%	0.197	S	C	.	.			trans	-61.5	125.1	177.6	173.7	0	0	0	0	109.2	D168 T171	D168-V173 HydrophobicContact CB-CB 4.2Å; D168-V173 WeakPolarHBondContact CB-O 3.45Å; D168-V173 PolarHBondContact N-O 2.94Å; T171-V173 PolarHBondContact O-N 3.09Å; T171-V173 WeakPolarHBondContact OG1-CG2 3.4Å; T171-V173 PolarHBondContact OG1-N 3.28Å
174	P	83.3	Confident	86.6	Confident	51 Å²	51	32.3 Å²	32.3	33%	0.331	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	139.2	179.9	32.5	-40	0	0	0	110.8	N42 Y167	N42-P174 VanDerWaalsContact OD1-CB 3.31Å; N42-P174 WeakPolarHBondContact OD1-CB 2.87Å; N42-P174 WeakPolarHBondContact OD1-CG 3.4Å; Y167-P174 HydrophobicContact CD1-CB 4.14Å; Y167-P174 HydrophobicContact CE1-CB 4.15Å
175	S	87.7	Confident	87	Confident	20 Å²	20	31.5 Å²	31.5	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.5	169.8	-175.1	0	0	0	0	110.1	H165 W166 P235	H165-S175 WeakPolarHBondContact CA-O 3.16Å; W166-S175 PolarHBondContact N-O 2.84Å; W166-S175 PolarHBondContact O-N 3.01Å; W166-S175 VanDerWaalsContact O-O 3.09Å; S175-P235 PolarHBondContact OG-O 3.44Å
176	S	87.7	Confident	87.4	Confident	55 Å²	55	28.7 Å²	28.7	39%	0.385	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.9	-174.9	-176.4	0	0	0	0	109.8	F164 H165	F164-S176 VanDerWaalsContact O-CA 3.27Å; F164-S176 WeakPolarHBondContact O-CA 3.42Å; H165-S176 PolarHBondContact CE1-OG 3.02Å; H165-S176 WeakPolarHBondContact ND1-CB 3.35Å; H165-S176 PolarHBondContact ND1-OG 3.13Å; H165-S176 VanDerWaalsContact ND1-OG 3.13Å
177	Q	87.4	Confident	87.6	Confident	59 Å²	59	28.5 Å²	28.5	28%	0.276	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.6	174.2	-54.3	-161.1	-3.1	0	0	112.1	F164 F182 P235	F164-Q177 PolarHBondContact N-O 2.75Å; F164-Q177 PolarHBondContact O-N 3.2Å; Q177-F182 HydrophobicContact CB-CB 4Å; Q177-F182 HydrophobicContact CB-CD1 3.5Å; Q177-F182 HydrophobicContact CB-CE1 4.21Å; Q177-F182 HydrophobicContact CB-CG 4.02Å; Q177-F182 HydrophobicContact CG-CB 4.35Å; Q177-F182 HydrophobicContact CG-CD1 3.68Å; Q177-F182 HydrophobicContact CG-CE1 4.06Å; Q177-F182 HydrophobicContact CG-CG 4.05Å; Q177-P235 HydrophobicContact CG-CB 4.2Å; Q177-P235 VanDerWaalsContact NE2-CG 3.28Å
178	R	85.1	Confident	88	Confident	110 Å²	110	27.9 Å²	27.9	42%	0.415	17%	0.165	S	C	.	.	S	Bend	trans	-89.5	-14.3	174.9	-60.2	172.1	77.7	147.7	4.5	112.5	N159 V162 H163	N159-R178 VanDerWaalsContact CG-CZ 3.46Å; N159-R178 PolarHBondContact ND2-NE 3.23Å; N159-R178 VanDerWaalsContact ND2-NE 3.1Å; N159-R178 PolarHBondContact ND2-NH2 2.85Å; N159-R178 PolarHBondContact OD1-NE 3.08Å; N159-R178 PolarHBondContact OD1-NH2 3.37Å; V162-R178 WeakPolarHBondContact O-CA 3.43Å; H163-R178 WeakPolarHBondContact NE2-CG 3.44Å
179	A	87.2	Confident	88.4	Confident	47 Å²	47	27.6 Å²	27.6	39%	0.388	16%	0.163	S	C	.	.			trans	-76.1	125.8	-177.5	0	0	0	0	0	110.4	A181 F182	A179-A181 PolarHBondContact O-N 3.47Å; A179-F182 VanDerWaalsContact O-CB 3.28Å; A179-F182 WeakPolarHBondContact O-CB 3.33Å; A179-F182 PolarHBondContact O-N 3.06Å
180	L	87.4	Confident	88.9	Confident	7 Å²	7	27.5 Å²	27.5	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-27	174.9	-173.6	67	0	0	0	112.7	L146 L149 D150 F154 F164 F182 E183 K184	L146-L180 HydrophobicContact CD2-CD1 4.14Å; L149-L180 HydrophobicContact CD2-CD1 3.38Å; L149-L180 HydrophobicContact CD2-CD2 3.77Å; L149-L180 HydrophobicContact CD2-CG 4.23Å; D150-L180 VanDerWaalsContact CA-CD2 3.48Å; D150-L180 HydrophobicContact CB-CD2 3.37Å; F154-L180 HydrophobicContact CD1-CB 4.12Å; F154-L180 HydrophobicContact CD2-CD2 4.08Å; F154-L180 HydrophobicContact CE1-CB 4.29Å; F154-L180 HydrophobicContact CE2-CD1 4.44Å; F154-L180 HydrophobicContact CE2-CD2 4.49Å; F154-L180 HydrophobicContact CG-CB 4.31Å; F154-L180 HydrophobicContact CG-CD2 4.3Å; F154-L180 HydrophobicContact CZ-CD1 4.42Å; F164-L180 HydrophobicContact CE1-CD1 4.1Å; F164-L180 HydrophobicContact CE2-CB 4.28Å; F164-L180 HydrophobicContact CE2-CD1 3.93Å; F164-L180 HydrophobicContact CZ-CD1 3.43Å; F164-L180 VanDerWaalsContact CZ-CD1 3.43Å; L180-F182 PolarHBondContact O-N 3.44Å; L180-E183 HydrophobicContact CD1-CB 4.22Å; L180-E183 WeakPolarHBondContact O-CB 3.27Å; L180-E183 PolarHBondContact O-N 3.43Å; L180-E183 VanDerWaalsContact O-N 3.08Å; L180-K184 PolarHBondContact O-N 3.36Å
181	A	89.4	Confident	89.4	Confident	52 Å²	52	27.3 Å²	27.3	43%	0.43	16%	0.161	S	C	.	.	H	α-helix	trans	-56	-31.6	172.2	0	0	0	0	0	112.3	A179 G185 F231	A179-A181 PolarHBondContact O-N 3.47Å; A181-G185 PolarHBondContact O-N 3.08Å; A181-F231 HydrophobicContact CB-CD1 4.4Å; A181-F231 HydrophobicContact CB-CE1 4.28Å; A181-F231 WeakPolarHBondContact O-CE1 3.49Å
182	F	90.7	Very high	90.2	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.022	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-41.9	175.6	178.5	-146.2	0	0	0	112.2	F164 W166 Q177 A179 L180 S186 P235 M239	F164-F182 HydrophobicContact CB-CD1 4.01Å; F164-F182 WeakPolarHBondContact O-CE1 3.47Å; W166-F182 HydrophobicContact CB-CE1 4.27Å; W166-F182 HydrophobicContact CB-CE2 4.05Å; W166-F182 HydrophobicContact CB-CZ 3.63Å; W166-F182 AromaticContact CD1-CE1 3.89Å; W166-F182 AromaticContact CD1-CZ 3.92Å; W166-F182 HydrophobicContact CG-CE1 4.48Å; W166-F182 HydrophobicContact CG-CE2 4.36Å; W166-F182 HydrophobicContact CG-CZ 4.13Å; Q177-F182 HydrophobicContact CB-CB 4Å; Q177-F182 HydrophobicContact CB-CD1 3.5Å; Q177-F182 HydrophobicContact CB-CE1 4.21Å; Q177-F182 HydrophobicContact CB-CG 4.02Å; Q177-F182 HydrophobicContact CG-CB 4.35Å; Q177-F182 HydrophobicContact CG-CD1 3.68Å; Q177-F182 HydrophobicContact CG-CE1 4.06Å; Q177-F182 HydrophobicContact CG-CG 4.05Å; A179-F182 VanDerWaalsContact O-CB 3.28Å; A179-F182 WeakPolarHBondContact O-CB 3.33Å; A179-F182 PolarHBondContact O-N 3.06Å; L180-F182 PolarHBondContact O-N 3.44Å; F182-S186 WeakPolarHBondContact CE2-OG 3.5Å; F182-S186 WeakPolarHBondContact O-CB 3.36Å; F182-S186 PolarHBondContact O-N 3.34Å; F182-S186 PolarHBondContact O-OG 3.01Å; F182-P235 HydrophobicContact CB-CG 4.32Å; F182-P235 HydrophobicContact CD2-CB 3.59Å; F182-P235 HydrophobicContact CD2-CG 3.34Å; F182-P235 HydrophobicContact CE2-CB 3.45Å; F182-P235 VanDerWaalsContact CE2-CB 3.45Å; F182-P235 HydrophobicContact CE2-CG 3.75Å; F182-P235 HydrophobicContact CG-CB 4.23Å; F182-P235 HydrophobicContact CG-CG 3.96Å; F182-P235 HydrophobicContact CZ-CB 3.99Å; F182-M239 HydrophobicContact CD2-CE 3.71Å; F182-M239 HydrophobicContact CE2-CE 3.4Å
183	E	91.2	Very high	91.1	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-52.1	174.6	-175.6	68.4	-165.9	0	0	110.4	Y142 L146 F164 W166 L180 G185 S186 V187	Y142-E183 HydrophobicContact CE1-CG 4.25Å; Y142-E183 WeakPolarHBondContact CE1-OE1 3.28Å; Y142-E183 PolarHBondContact OH-OE1 3.44Å; L146-E183 HydrophobicContact CD1-CB 4.4Å; L146-E183 HydrophobicContact CD1-CG 3.74Å; L146-E183 HydrophobicContact CD2-CG 4.05Å; F164-E183 HydrophobicContact CB-CB 4.44Å; F164-E183 HydrophobicContact CD1-CB 3.7Å; F164-E183 HydrophobicContact CD1-CG 3.88Å; F164-E183 WeakPolarHBondContact CD1-OE2 3.31Å; F164-E183 HydrophobicContact CD2-CB 4.35Å; F164-E183 HydrophobicContact CE1-CB 3.99Å; F164-E183 HydrophobicContact CE1-CG 4.02Å; F164-E183 HydrophobicContact CG-CB 3.9Å; F164-E183 HydrophobicContact CZ-CB 4.44Å; W166-E183 PolarHBondContact NE1-OE2 3.2Å; L180-E183 HydrophobicContact CD1-CB 4.22Å; L180-E183 WeakPolarHBondContact O-CB 3.27Å; L180-E183 PolarHBondContact O-N 3.43Å; L180-E183 VanDerWaalsContact O-N 3.08Å; E183-G185 VanDerWaalsContact C-N 3.34Å; E183-G185 PolarHBondContact O-N 2.98Å; E183-S186 PolarHBondContact O-N 3.05Å; E183-V187 VanDerWaalsContact O-CG2 3.28Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 3.1Å
184	K	92.3	Very high	91.7	Very high	28 Å²	28	21.7 Å²	21.7	12%	0.122	13%	0.127	C	C	.	.	H	α-helix	trans	-55.2	-48.1	178	-73.9	-179.7	175.7	175.3	0	111.6	Y143 L146 D150 L180 S186 V187 L188 F231	Y143-K184 HydrophobicContact CE2-CB 4.03Å; Y143-K184 WeakPolarHBondContact CE2-O 3.44Å; L146-K184 HydrophobicContact CB-CD 4.33Å; L146-K184 HydrophobicContact CB-CG 3.79Å; L146-K184 HydrophobicContact CD1-CB 4.3Å; L146-K184 HydrophobicContact CD1-CG 3.59Å; L146-K184 HydrophobicContact CG-CG 4.35Å; L146-K184 VanDerWaalsContact O-CE 3.24Å; L146-K184 WeakPolarHBondContact O-CE 3.36Å; L146-K184 PolarHBondContact O-NZ 3.07Å; D150-K184 IonicContact OD2-NZ 2.73Å; D150-K184 PolarHBondContact OD2-NZ 3.2Å; L180-K184 PolarHBondContact O-N 3.36Å; K184-S186 PolarHBondContact O-N 2.81Å; K184-V187 PolarHBondContact O-N 2.89Å; K184-L188 PolarHBondContact O-N 2.99Å; K184-F231 HydrophobicContact CB-CE1 4.23Å; K184-F231 HydrophobicContact CB-CZ 4.31Å
185	G	94.6	Very high	92.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-40.2	179.6	0	0	0	0	0	113	A181 E183 L188 F189	A181-G185 PolarHBondContact O-N 3.08Å; E183-G185 VanDerWaalsContact C-N 3.34Å; E183-G185 PolarHBondContact O-N 2.98Å; G185-L188 PolarHBondContact O-N 3.21Å; G185-F189 PolarHBondContact O-N 2.97Å
186	S	94.6	Very high	92.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-36.6	179	-59.1	0	0	0	0	112.7	F182 E183 K184 F189 N190	F182-S186 WeakPolarHBondContact CE2-OG 3.5Å; F182-S186 WeakPolarHBondContact O-CB 3.36Å; F182-S186 PolarHBondContact O-N 3.34Å; F182-S186 PolarHBondContact O-OG 3.01Å; E183-S186 PolarHBondContact O-N 3.05Å; K184-S186 PolarHBondContact O-N 2.81Å; S186-F189 WeakPolarHBondContact O-CB 3.25Å; S186-F189 PolarHBondContact O-N 3Å; S186-N190 PolarHBondContact O-N 3.08Å
187	V	94.4	Very high	93.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-44.3	172.3	176.2	0	0	0	0	110.7	L139 Y142 Y143 L146 W166 E183 K184 F189 N190 I191	L139-V187 HydrophobicContact CD2-CG1 4.49Å; Y142-V187 HydrophobicContact CD1-CB 4.43Å; Y142-V187 HydrophobicContact CD1-CG1 4.05Å; Y142-V187 HydrophobicContact CD1-CG2 3.51Å; Y142-V187 HydrophobicContact CE1-CG2 3.42Å; Y142-V187 VanDerWaalsContact CE1-CG2 3.42Å; Y143-V187 HydrophobicContact CD2-CB 4.39Å; Y143-V187 HydrophobicContact CD2-CG1 4.28Å; L146-V187 HydrophobicContact CD1-CG2 4.33Å; W166-V187 HydrophobicContact CH2-CG2 4.35Å; W166-V187 HydrophobicContact CZ2-CG2 4.18Å; E183-V187 VanDerWaalsContact O-CG2 3.28Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 3.1Å; K184-V187 PolarHBondContact O-N 2.89Å; V187-F189 VanDerWaalsContact C-N 3.31Å; V187-F189 PolarHBondContact O-N 2.88Å; V187-N190 WeakPolarHBondContact O-CA 3.47Å; V187-N190 WeakPolarHBondContact O-CB 3.45Å; V187-N190 PolarHBondContact O-N 2.88Å; V187-I191 HydrophobicContact CG1-CD1 4.49Å; V187-I191 WeakPolarHBondContact O-CG1 3.42Å; V187-I191 PolarHBondContact O-N 3.07Å
188	L	95.9	Very high	93.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-38.2	177.3	-176.9	61.9	0	0	0	112.1	Y143 K184 G185 N190 I191 G192 A223 Y226 L227 F231 P455 F457	Y143-L188 HydrophobicContact CD2-CB 4.36Å; Y143-L188 HydrophobicContact CE2-CB 4Å; K184-L188 PolarHBondContact O-N 2.99Å; G185-L188 PolarHBondContact O-N 3.21Å; L188-N190 VanDerWaalsContact C-N 3.29Å; L188-N190 PolarHBondContact O-N 3.22Å; L188-I191 HydrophobicContact CD1-CD1 4.33Å; L188-I191 WeakPolarHBondContact O-CB 3.46Å; L188-I191 PolarHBondContact O-N 2.98Å; L188-G192 PolarHBondContact O-N 3.02Å; L188-G192 VanDerWaalsContact O-N 3.08Å; L188-A223 HydrophobicContact CD1-CB 4.33Å; L188-Y226 HydrophobicContact CD2-CD1 3.45Å; L188-Y226 VanDerWaalsContact CD2-CD1 3.45Å; L188-Y226 HydrophobicContact CD2-CE1 4.09Å; L188-Y226 HydrophobicContact CD2-CG 4.34Å; L188-L227 HydrophobicContact CD2-CB 4.33Å; L188-F231 HydrophobicContact CD2-CE2 4.41Å; L188-P455 HydrophobicContact CD1-CB 4.25Å; L188-P455 HydrophobicContact CD1-CG 4.27Å; L188-F457 HydrophobicContact CD1-CE1 4.5Å
189	F	96.4	Very high	93.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57	-45.4	170.4	-173.9	-77	0	0	0	110.9	L109 K112 S169 G185 S186 V187 I191 G192 A193 F224 L227 D238 M239 L244 L247	L109-F189 HydrophobicContact CD2-CE1 4.3Å; L109-F189 HydrophobicContact CD2-CZ 3.84Å; K112-F189 HydrophobicContact CD-CB 3.89Å; K112-F189 HydrophobicContact CD-CD1 3.53Å; K112-F189 HydrophobicContact CD-CD2 4.31Å; K112-F189 HydrophobicContact CD-CE1 4.14Å; K112-F189 HydrophobicContact CD-CG 3.64Å; K112-F189 HydrophobicContact CG-CD1 3.52Å; K112-F189 HydrophobicContact CG-CE1 3.82Å; K112-F189 HydrophobicContact CG-CG 4.18Å; S169-F189 WeakPolarHBondContact OG-CE1 3.4Å; S169-F189 WeakPolarHBondContact OG-CZ 3.44Å; G185-F189 PolarHBondContact O-N 2.97Å; S186-F189 WeakPolarHBondContact O-CB 3.25Å; S186-F189 PolarHBondContact O-N 3Å; V187-F189 VanDerWaalsContact C-N 3.31Å; V187-F189 PolarHBondContact O-N 2.88Å; F189-I191 VanDerWaalsContact C-N 3.33Å; F189-I191 PolarHBondContact O-N 3.2Å; F189-G192 PolarHBondContact O-N 3.05Å; F189-G192 VanDerWaalsContact O-N 3.16Å; F189-A193 HydrophobicContact CD1-CB 4.41Å; F189-A193 HydrophobicContact CE1-CB 4.26Å; F189-A193 WeakPolarHBondContact O-CB 3.3Å; F189-A193 PolarHBondContact O-N 3.31Å; F189-F224 HydrophobicContact CD1-CE1 4.47Å; F189-F224 HydrophobicContact CD2-CD1 4.2Å; F189-F224 AromaticContact CD2-CE1 3.92Å; F189-F224 HydrophobicContact CD2-CE1 3.92Å; F189-F224 HydrophobicContact CE1-CE1 4.48Å; F189-F224 HydrophobicContact CE2-CD1 4.35Å; F189-F224 AromaticContact CE2-CE1 3.94Å; F189-F224 HydrophobicContact CE2-CE1 3.94Å; F189-F224 HydrophobicContact CG-CE1 4.19Å; F189-F224 HydrophobicContact CZ-CE1 4.22Å; F189-L227 HydrophobicContact CB-CD2 3.98Å; F189-L227 HydrophobicContact CD2-CD2 3.97Å; F189-L227 HydrophobicContact CG-CD2 4.5Å; F189-D238 HydrophobicContact CE2-CB 4.23Å; F189-D238 HydrophobicContact CZ-CB 4.43Å; F189-M239 HydrophobicContact CD2-CG 4.36Å; F189-L244 HydrophobicContact CD2-CD2 4.31Å; F189-L244 HydrophobicContact CE2-CD2 4.35Å; F189-L247 HydrophobicContact CE2-CD1 3.93Å; F189-L247 HydrophobicContact CZ-CD1 4.17Å
190	N	95.8	Very high	94.2	Very high	5 Å²	5	8.1 Å²	8.1	3%	0.027	5%	0.048	C	C	.	.	H	α-helix	trans	-64.7	-33.6	177.7	-80.6	1.5	0	0	0	113.5	L111 K112 L139 S186 V187 L188 A193 L194	L111-N190 HydrophobicContact CD2-CB 4.34Å; K112-N190 WeakPolarHBondContact CA-OD1 3.35Å; K112-N190 WeakPolarHBondContact CB-OD1 3.39Å; K112-N190 PolarHBondContact N-OD1 3.37Å; K112-N190 PolarHBondContact O-ND2 3.28Å; L139-N190 HydrophobicContact CD1-CB 4.25Å; L139-N190 HydrophobicContact CD2-CB 4.47Å; S186-N190 PolarHBondContact O-N 3.08Å; V187-N190 WeakPolarHBondContact O-CA 3.47Å; V187-N190 WeakPolarHBondContact O-CB 3.45Å; V187-N190 PolarHBondContact O-N 2.88Å; L188-N190 VanDerWaalsContact C-N 3.29Å; L188-N190 PolarHBondContact O-N 3.22Å; N190-A193 PolarHBondContact O-N 2.95Å; N190-L194 VanDerWaalsContact O-CB 3.25Å; N190-L194 WeakPolarHBondContact O-CB 3.36Å; N190-L194 PolarHBondContact O-N 3.45Å
191	I	96.5	Very high	94.3	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.041	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-48.7	171.1	-67.4	170.1	0	0	0	109.8	L136 L139 M140 V187 L188 F189 L194 H195	L136-I191 HydrophobicContact CD2-CG2 4.18Å; L139-I191 HydrophobicContact CB-CD1 4.2Å; L139-I191 HydrophobicContact CB-CG1 3.61Å; L139-I191 HydrophobicContact CD1-CG1 4.08Å; L139-I191 HydrophobicContact CG-CG1 4.48Å; M140-I191 HydrophobicContact SD-CD1 4.41Å; V187-I191 HydrophobicContact CG1-CD1 4.49Å; V187-I191 WeakPolarHBondContact O-CG1 3.42Å; V187-I191 PolarHBondContact O-N 3.07Å; L188-I191 HydrophobicContact CD1-CD1 4.33Å; L188-I191 WeakPolarHBondContact O-CB 3.46Å; L188-I191 PolarHBondContact O-N 2.98Å; F189-I191 VanDerWaalsContact C-N 3.33Å; F189-I191 PolarHBondContact O-N 3.2Å; I191-L194 PolarHBondContact O-N 3.47Å; I191-H195 PolarHBondContact O-CD2 2.81Å; I191-H195 VanDerWaalsContact O-CD2 3.28Å; I191-H195 PolarHBondContact O-N 3.28Å; I191-H195 VanDerWaalsContact O-N 3.09Å
192	G	97.5	Very high	94.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.8	-48.1	175.9	0	0	0	0	0	112.6	L188 F189 L194 H195 T196 A220	L188-G192 PolarHBondContact O-N 3.02Å; L188-G192 VanDerWaalsContact O-N 3.08Å; F189-G192 PolarHBondContact O-N 3.05Å; F189-G192 VanDerWaalsContact O-N 3.16Å; G192-L194 VanDerWaalsContact C-N 3.35Å; G192-L194 PolarHBondContact O-N 3.06Å; G192-H195 WeakPolarHBondContact O-CB 3.18Å; G192-H195 PolarHBondContact O-N 3.43Å; G192-T196 WeakPolarHBondContact O-CG2 3.43Å; G192-T196 PolarHBondContact O-N 3.01Å; G192-A220 WeakPolarHBondContact O-CB 3.44Å
193	A	95.5	Very high	94.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.7	-39.9	177.9	0	0	0	0	0	112.4	L109 L111 F189 N190 H195 T196 Q197	L109-A193 HydrophobicContact CB-CB 3.79Å; L111-A193 HydrophobicContact CD2-CB 3.8Å; F189-A193 HydrophobicContact CD1-CB 4.41Å; F189-A193 HydrophobicContact CE1-CB 4.26Å; F189-A193 WeakPolarHBondContact O-CB 3.3Å; F189-A193 PolarHBondContact O-N 3.31Å; N190-A193 PolarHBondContact O-N 2.95Å; A193-H195 PolarHBondContact O-N 3.29Å; A193-T196 PolarHBondContact O-N 2.95Å; A193-T196 VanDerWaalsContact O-N 3.15Å; A193-T196 PolarHBondContact O-OG1 2.98Å; A193-Q197 PolarHBondContact O-N 2.93Å
194	L	94.7	Very high	94.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.8	-39.1	177.3	-169.8	58.7	0	0	0	112	L111 P129 R131 L136 L139 N190 I191 G192 T196 Q197 I198	L111-L194 HydrophobicContact CD2-CB 4.15Å; P129-L194 HydrophobicContact CB-CD2 4.35Å; P129-L194 HydrophobicContact CG-CD2 4.49Å; R131-L194 HydrophobicContact CB-CD1 4.38Å; R131-L194 HydrophobicContact CG-CD1 3.92Å; L136-L194 HydrophobicContact CD2-CB 3.93Å; L136-L194 HydrophobicContact CD2-CD2 3.81Å; L136-L194 HydrophobicContact CD2-CG 3.98Å; L136-L194 HydrophobicContact CG-CD2 3.84Å; L136-L194 HydrophobicContact CG-CG 4.22Å; L139-L194 HydrophobicContact CD1-CB 4.43Å; L139-L194 HydrophobicContact CD1-CD2 3.82Å; N190-L194 VanDerWaalsContact O-CB 3.25Å; N190-L194 WeakPolarHBondContact O-CB 3.36Å; N190-L194 PolarHBondContact O-N 3.45Å; I191-L194 PolarHBondContact O-N 3.47Å; G192-L194 VanDerWaalsContact C-N 3.35Å; G192-L194 PolarHBondContact O-N 3.06Å; L194-T196 VanDerWaalsContact C-N 3.31Å; L194-T196 PolarHBondContact O-N 3.4Å; L194-Q197 PolarHBondContact O-N 2.92Å; L194-I198 HydrophobicContact CG-CD1 4.3Å; L194-I198 WeakPolarHBondContact O-CG1 3.44Å; L194-I198 PolarHBondContact O-N 3.35Å
195	H	97.4	Very high	94.5	Very high	22 Å²	22	17.1 Å²	17.1	10%	0.102	9%	0.087	C	C	.	.	H	α-helix	trans	-58.4	-41.6	171.3	-84.6	-62.8	0	0	0	112.1	L136 I191 G192 A193 Q197 I198 G199 A216 R219 A220	L136-H195 WeakPolarHBondContact CD1-CE1 3.44Å; I191-H195 PolarHBondContact O-CD2 2.81Å; I191-H195 VanDerWaalsContact O-CD2 3.28Å; I191-H195 PolarHBondContact O-N 3.28Å; I191-H195 VanDerWaalsContact O-N 3.09Å; G192-H195 WeakPolarHBondContact O-CB 3.18Å; G192-H195 PolarHBondContact O-N 3.43Å; A193-H195 PolarHBondContact O-N 3.29Å; H195-Q197 VanDerWaalsContact C-N 3.3Å; H195-Q197 PolarHBondContact O-N 2.69Å; H195-I198 PolarHBondContact O-N 3.36Å; H195-G199 PolarHBondContact O-N 3.12Å; H195-A216 WeakPolarHBondContact CB-O 3.07Å; H195-R219 VanDerWaalsContact CE1-CD 3.42Å; H195-R219 WeakPolarHBondContact CE1-CD 3.46Å; H195-A220 HydrophobicContact CB-CB 3.83Å
196	T	97.1	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-37.2	177	74.6	0	0	0	0	113.1	L109 G192 A193 L194 G199 A200 A220 F224 M251	L109-T196 HydrophobicContact CB-CG2 4.45Å; L109-T196 HydrophobicContact CD1-CG2 4.04Å; L109-T196 PolarHBondContact N-OG1 3.48Å; G192-T196 WeakPolarHBondContact O-CG2 3.43Å; G192-T196 PolarHBondContact O-N 3.01Å; A193-T196 PolarHBondContact O-N 2.95Å; A193-T196 VanDerWaalsContact O-N 3.15Å; A193-T196 PolarHBondContact O-OG1 2.98Å; L194-T196 VanDerWaalsContact C-N 3.31Å; L194-T196 PolarHBondContact O-N 3.4Å; T196-G199 PolarHBondContact O-N 3.21Å; T196-A200 WeakPolarHBondContact O-CB 3.48Å; T196-A200 PolarHBondContact O-N 2.96Å; T196-A220 HydrophobicContact CG2-CB 3.62Å; T196-F224 HydrophobicContact CG2-CE2 4.25Å; T196-M251 HydrophobicContact CG2-CE 4.02Å; T196-M251 HydrophobicContact CG2-SD 3.31Å; T196-M251 WeakPolarHBondContact CG2-SD 3.42Å
197	Q	93.5	Very high	94.3	Very high	5 Å²	5	22 Å²	22	2%	0.023	12%	0.121	C	C	.	.	H	α-helix	trans	-70	-36.7	177.2	-65.5	177.9	25.7	0	0	111.5	Y95 P108 L109 A193 L194 H195 R201	Y95-Q197 HydrophobicContact CD1-CB 4.06Å; Y95-Q197 HydrophobicContact CD1-CG 3.65Å; Y95-Q197 HydrophobicContact CE1-CG 3.78Å; Y95-Q197 HydrophobicContact CG-CG 4.41Å; P108-Q197 HydrophobicContact CB-CG 4.15Å; L109-Q197 PolarHBondContact O-NE2 3.1Å; A193-Q197 PolarHBondContact O-N 2.93Å; L194-Q197 PolarHBondContact O-N 2.92Å; H195-Q197 VanDerWaalsContact C-N 3.3Å; H195-Q197 PolarHBondContact O-N 2.69Å; Q197-R201 WeakPolarHBondContact O-CB 3.4Å; Q197-R201 PolarHBondContact O-N 2.73Å
198	I	93.4	Very high	94.3	Very high	30 Å²	30	24.8 Å²	24.8	15%	0.154	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-43.4	174.2	-69.6	165.5	0	0	0	110.2	L136 L194 H195 R201 Q202 A216	L136-I198 HydrophobicContact CD1-CD1 3.52Å; L136-I198 HydrophobicContact CG-CD1 3.98Å; L194-I198 HydrophobicContact CG-CD1 4.3Å; L194-I198 WeakPolarHBondContact O-CG1 3.44Å; L194-I198 PolarHBondContact O-N 3.35Å; H195-I198 PolarHBondContact O-N 3.36Å; I198-R201 PolarHBondContact O-N 3.46Å; I198-Q202 WeakPolarHBondContact O-CG 3.44Å; I198-Q202 PolarHBondContact O-NE2 3.19Å; I198-A216 HydrophobicContact CG2-CB 4.36Å
199	G	95.1	Very high	94.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-47.1	178.1	0	0	0	0	0	112.9	H195 T196 R201 Q202	H195-G199 PolarHBondContact O-N 3.12Å; T196-G199 PolarHBondContact O-N 3.21Å; G199-R201 PolarHBondContact O-N 2.87Å; G199-Q202 PolarHBondContact O-N 3.02Å; G199-Q202 VanDerWaalsContact O-N 3.17Å
200	A	93.7	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-25.4	178	0	0	0	0	0	113.6	Y95 M106 P108 T196	Y95-A200 CarbonylContact O-C 3.6Å; M106-A200 HydrophobicContact CB-CB 3.91Å; P108-A200 HydrophobicContact CB-CB 4.23Å; T196-A200 WeakPolarHBondContact O-CB 3.48Å; T196-A200 PolarHBondContact O-N 2.96Å
201	R	91.2	Very high	94.2	Very high	124 Å²	124	28.5 Å²	28.5	47%	0.468	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.7	179.9	-173.6	175.3	175.6	-160.1	-1.2	113.8	Y95 T97 Q197 I198 G199	Y95-R201 WeakPolarHBondContact O-CA 3.33Å; Y95-R201 PolarHBondContact O-N 2.81Å; T97-R201 WeakPolarHBondContact CB-O 3.45Å; Q197-R201 WeakPolarHBondContact O-CB 3.4Å; Q197-R201 PolarHBondContact O-N 2.73Å; I198-R201 PolarHBondContact O-N 3.46Å; G199-R201 PolarHBondContact O-N 2.87Å
202	Q	92.3	Very high	94.2	Very high	37 Å²	37	34.2 Å²	34.2	17%	0.173	19%	0.191	C	C	.	.	S	Bend	trans	-68.5	144.6	-177.1	-58.6	-52.8	-57.5	0	0	111.4	I198 G199 R204 G209 K212 A213	I198-Q202 WeakPolarHBondContact O-CG 3.44Å; I198-Q202 PolarHBondContact O-NE2 3.19Å; G199-Q202 PolarHBondContact O-N 3.02Å; G199-Q202 VanDerWaalsContact O-N 3.17Å; Q202-R204 PolarHBondContact O-N 3.41Å; Q202-G209 VanDerWaalsContact CB-O 3.32Å; Q202-G209 WeakPolarHBondContact CB-O 3.33Å; Q202-K212 HydrophobicContact CG-CB 3.88Å; Q202-A213 HydrophobicContact CB-CB 4.05Å; Q202-A213 HydrophobicContact CG-CB 4.07Å
203	D	90.8	Very high	94.2	Very high	61 Å²	61	34.2 Å²	34.2	33%	0.326	19%	0.191	S	C	.	.			trans	-77.7	105.9	171.6	177.7	26.2	0	0	0	110.3	S99 A205 G209	S99-D203 PolarHBondContact OG-OD1 2.75Å; S99-D203 VanDerWaalsContact OG-OD1 3.12Å; D203-A205 VanDerWaalsContact C-N 3.34Å; D203-A205 PolarHBondContact OD1-N 3.13Å; D203-G209 VanDerWaalsContact O-CA 3.31Å; D203-G209 WeakPolarHBondContact O-CA 3.45Å
204	R	92.9	Very high	94.3	Very high	8 Å²	8	34.6 Å²	34.6	3%	0.03	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10.1	-175	-59.7	-166.3	-49.1	-75.4	-1	113.8	S103 V104 Q202 A206 I210 A213 E261	S103-R204 PolarHBondContact OG-NH2 3.43Å; V104-R204 PolarHBondContact O-NH2 3.42Å; Q202-R204 PolarHBondContact O-N 3.41Å; R204-A206 PolarHBondContact O-N 3.12Å; R204-I210 HydrophobicContact CB-CG1 3.89Å; R204-I210 HydrophobicContact CG-CG1 4.25Å; R204-I210 WeakPolarHBondContact O-CD1 3.49Å; R204-A213 HydrophobicContact CG-CB 4.44Å; R204-E261 WeakPolarHBondContact CD-OE2 3.45Å; R204-E261 IonicContact CZ-OE1 2.71Å; R204-E261 IonicContact NE-OE1 2.72Å; R204-E261 PolarHBondContact NE-OE1 3.05Å; R204-E261 IonicContact NE-OE2 3.11Å; R204-E261 PolarHBondContact NE-OE2 3.37Å; R204-E261 IonicContact NH2-OE1 3.89Å; R204-E261 PolarHBondContact NH2-OE1 3.22Å
205	A	90.6	Very high	94.4	Very high	58 Å²	58	37.6 Å²	37.6	48%	0.479	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.6	166	0	0	0	0	0	113.3	A101 D203	A101-A205 HydrophobicContact CB-CB 3.6Å; D203-A205 VanDerWaalsContact C-N 3.34Å; D203-A205 PolarHBondContact OD1-N 3.13Å
206	A	91.9	Very high	94.4	Very high	45 Å²	45	36.6 Å²	36.6	37%	0.372	21%	0.205	S	C	.	.	S	Bend	trans	-124.7	144	-179.3	0	0	0	0	0	111.7	R204 A208 G209 I210	R204-A206 PolarHBondContact O-N 3.12Å; A206-A208 VanDerWaalsContact C-N 3.27Å; A206-A208 PolarHBondContact O-N 3.17Å; A206-G209 PolarHBondContact O-N 3.33Å; A206-I210 WeakPolarHBondContact O-CG1 3.48Å; A206-I210 PolarHBondContact O-N 3.33Å; A206-I210 VanDerWaalsContact O-N 3.08Å
207	T	93.9	Very high	94.5	Very high	58 Å²	58	36.6 Å²	36.6	36%	0.356	21%	0.205	S	C	.	.	H	α-helix	trans	-55.4	-39.8	-179	53.9	0	0	0	0	112.8	G209 I210 D211 R262 I265 T266	T207-G209 VanDerWaalsContact C-N 3.31Å; T207-G209 PolarHBondContact O-N 3.3Å; T207-I210 WeakPolarHBondContact O-CB 3.35Å; T207-I210 PolarHBondContact O-N 3.19Å; T207-D211 PolarHBondContact O-N 3.32Å; T207-R262 HydrophobicContact CG2-CG 4.31Å; T207-I265 HydrophobicContact CG2-CG2 4.14Å; T207-T266 HydrophobicContact CG2-CG2 4.19Å
208	A	95	Very high	94.7	Very high	59 Å²	59	37.7 Å²	37.7	49%	0.488	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-34.3	178.3	0	0	0	0	0	113.7	A206 K212	A206-A208 VanDerWaalsContact C-N 3.27Å; A206-A208 PolarHBondContact O-N 3.17Å; A208-K212 WeakPolarHBondContact O-CG 3.13Å; A208-K212 PolarHBondContact O-N 3.2Å
209	G	94.3	Very high	94.9	Very high	9 Å²	9	40.9 Å²	40.9	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-77.4	-35.5	175.2	0	0	0	0	0	111.8	Q202 D203 A206 T207 K212 A213	Q202-G209 VanDerWaalsContact CB-O 3.32Å; Q202-G209 WeakPolarHBondContact CB-O 3.33Å; D203-G209 VanDerWaalsContact O-CA 3.31Å; D203-G209 WeakPolarHBondContact O-CA 3.45Å; A206-G209 PolarHBondContact O-N 3.33Å; T207-G209 VanDerWaalsContact C-N 3.31Å; T207-G209 PolarHBondContact O-N 3.3Å; G209-K212 PolarHBondContact O-N 2.98Å; G209-A213 PolarHBondContact O-N 3.36Å
210	I	95.4	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-47.1	171.5	-62.8	174	0	0	0	111.2	R204 A206 T207 K212 A213 V214 C258 E261 R262 I265	R204-I210 HydrophobicContact CB-CG1 3.89Å; R204-I210 HydrophobicContact CG-CG1 4.25Å; R204-I210 WeakPolarHBondContact O-CD1 3.49Å; A206-I210 WeakPolarHBondContact O-CG1 3.48Å; A206-I210 PolarHBondContact O-N 3.33Å; A206-I210 VanDerWaalsContact O-N 3.08Å; T207-I210 WeakPolarHBondContact O-CB 3.35Å; T207-I210 PolarHBondContact O-N 3.19Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.48Å; I210-A213 WeakPolarHBondContact O-CA 3.26Å; I210-A213 WeakPolarHBondContact O-CB 3.39Å; I210-A213 PolarHBondContact O-N 2.81Å; I210-V214 HydrophobicContact CG2-CG2 4.29Å; I210-V214 WeakPolarHBondContact O-CG2 3.5Å; I210-V214 PolarHBondContact O-N 3.42Å; I210-C258 HydrophobicContact CG2-CB 3.82Å; I210-C258 WeakPolarHBondContact CG2-O 3.44Å; I210-E261 HydrophobicContact CD1-CB 3.89Å; I210-R262 HydrophobicContact CD1-CB 4.17Å; I210-R262 HydrophobicContact CG2-CB 4.03Å; I210-I265 HydrophobicContact CD1-CD1 3.59Å
211	D	96.2	Very high	95.3	Very high	74 Å²	74	41 Å²	41	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-36.4	-179.3	-68	-31.5	0	0	0	112	T207 V214 D215 R262	T207-D211 PolarHBondContact O-N 3.32Å; D211-V214 PolarHBondContact O-N 2.81Å; D211-D215 PolarHBondContact O-N 2.64Å; D211-R262 IonicContact OD1-CZ 3.85Å; D211-R262 IonicContact OD1-NH1 3.7Å; D211-R262 PolarHBondContact OD1-NH1 2.85Å
212	K	96.4	Very high	95.6	Very high	129 Å²	129	35.2 Å²	35.2	56%	0.561	20%	0.2	S	C	*	.	H	α-helix	trans	-66.5	-37.6	171.6	-71.3	173.9	-175.7	174.9	0	112.4	Q202 A208 G209 I210 A216	Q202-K212 HydrophobicContact CG-CB 3.88Å; A208-K212 WeakPolarHBondContact O-CG 3.13Å; A208-K212 PolarHBondContact O-N 3.2Å; G209-K212 PolarHBondContact O-N 2.98Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.48Å; K212-A216 VanDerWaalsContact O-CB 3.29Å; K212-A216 WeakPolarHBondContact O-CB 3.31Å; K212-A216 PolarHBondContact O-N 3.15Å
213	A	96.6	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176.8	0	0	0	0	0	110.8	Q202 R204 G209 I210 A216 F217	Q202-A213 HydrophobicContact CB-CB 4.05Å; Q202-A213 HydrophobicContact CG-CB 4.07Å; R204-A213 HydrophobicContact CG-CB 4.44Å; G209-A213 PolarHBondContact O-N 3.36Å; I210-A213 WeakPolarHBondContact O-CA 3.26Å; I210-A213 WeakPolarHBondContact O-CB 3.39Å; I210-A213 PolarHBondContact O-N 2.81Å; A213-A216 PolarHBondContact O-N 3.41Å; A213-F217 HydrophobicContact CB-CE2 4.35Å; A213-F217 WeakPolarHBondContact O-CD2 3.44Å; A213-F217 PolarHBondContact O-N 2.64Å
214	V	97.4	Very high	96.3	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-57.3	173.8	169.1	0	0	0	0	110.3	I210 D211 A216 F217 Q218 V255 C258	I210-V214 HydrophobicContact CG2-CG2 4.29Å; I210-V214 WeakPolarHBondContact O-CG2 3.5Å; I210-V214 PolarHBondContact O-N 3.42Å; D211-V214 PolarHBondContact O-N 2.81Å; V214-A216 VanDerWaalsContact C-N 3.28Å; V214-A216 PolarHBondContact O-N 3.35Å; V214-F217 PolarHBondContact O-N 3.28Å; V214-Q218 HydrophobicContact CG1-CG 4.18Å; V214-Q218 WeakPolarHBondContact O-CB 3.38Å; V214-Q218 VanDerWaalsContact O-CG 3.23Å; V214-Q218 WeakPolarHBondContact O-CG 3.16Å; V214-Q218 PolarHBondContact O-N 2.78Å; V214-V255 HydrophobicContact CG1-CG1 3.98Å; V214-V255 HydrophobicContact CG2-CG1 4.4Å; V214-C258 HydrophobicContact CG2-CB 3.48Å; V214-C258 VanDerWaalsContact CG2-CB 3.48Å
215	D	97.2	Very high	96.5	Very high	63 Å²	63	31.2 Å²	31.2	34%	0.337	18%	0.181	S	C	.	.	H	α-helix	trans	-55.4	-43.5	179.6	173.2	83.1	0	0	0	111.7	D211 Q218 R219	D211-D215 PolarHBondContact O-N 2.64Å; D215-Q218 PolarHBondContact O-N 3.18Å; D215-R219 WeakPolarHBondContact O-CB 3.48Å; D215-R219 VanDerWaalsContact O-CG 3.3Å; D215-R219 WeakPolarHBondContact O-CG 3.39Å; D215-R219 PolarHBondContact O-N 3.01Å; D215-R219 IonicContact OD1-CZ 3.66Å; D215-R219 IonicContact OD1-NE 3.14Å; D215-R219 PolarHBondContact OD1-NE 3.17Å; D215-R219 IonicContact OD1-NH2 3.74Å; D215-R219 PolarHBondContact OD1-NH2 2.95Å; D215-R219 IonicContact OD2-CZ 2.68Å; D215-R219 IonicContact OD2-NE 3.23Å; D215-R219 PolarHBondContact OD2-NE 3.03Å; D215-R219 IonicContact OD2-NH2 2.77Å
216	A	97.9	Very high	96.8	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-48.7	179	0	0	0	0	0	112.5	H195 I198 K212 A213 V214 R219 A220	H195-A216 WeakPolarHBondContact CB-O 3.07Å; I198-A216 HydrophobicContact CG2-CB 4.36Å; K212-A216 VanDerWaalsContact O-CB 3.29Å; K212-A216 WeakPolarHBondContact O-CB 3.31Å; K212-A216 PolarHBondContact O-N 3.15Å; A213-A216 PolarHBondContact O-N 3.41Å; V214-A216 VanDerWaalsContact C-N 3.28Å; V214-A216 PolarHBondContact O-N 3.35Å; A216-R219 PolarHBondContact O-N 3.03Å; A216-A220 PolarHBondContact O-N 3.21Å
217	F	98.5	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-33.1	179.4	-68.3	-51.8	0	0	0	112.8	M106 A213 V214 A220 A221 M251 Q254 V255	M106-F217 HydrophobicContact CB-CZ 3.95Å; M106-F217 HydrophobicContact CG-CE2 4.12Å; M106-F217 HydrophobicContact CG-CZ 3.99Å; M106-F217 HydrophobicContact SD-CE2 4.2Å; M106-F217 HydrophobicContact SD-CZ 4.38Å; A213-F217 HydrophobicContact CB-CE2 4.35Å; A213-F217 WeakPolarHBondContact O-CD2 3.44Å; A213-F217 PolarHBondContact O-N 2.64Å; V214-F217 PolarHBondContact O-N 3.28Å; F217-A220 PolarHBondContact O-N 3.42Å; F217-A221 WeakPolarHBondContact O-CB 3.05Å; F217-A221 PolarHBondContact O-N 3.08Å; F217-M251 HydrophobicContact CD1-SD 3.66Å; F217-M251 HydrophobicContact CE1-SD 4.31Å; F217-Q254 HydrophobicContact CD2-CB 3.99Å; F217-Q254 HydrophobicContact CE2-CB 4.11Å; F217-Q254 HydrophobicContact CG-CB 4.25Å; F217-Q254 HydrophobicContact CZ-CB 4.45Å; F217-V255 HydrophobicContact CB-CG2 3.54Å
218	Q	98.3	Very high	97	Very high	27 Å²	27	29.8 Å²	29.8	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-41.4	173.6	-68.6	-175	-58.4	0	0	112.1	V214 D215 A221 G222 V255 D451 T453	V214-Q218 HydrophobicContact CG1-CG 4.18Å; V214-Q218 WeakPolarHBondContact O-CB 3.38Å; V214-Q218 VanDerWaalsContact O-CG 3.23Å; V214-Q218 WeakPolarHBondContact O-CG 3.16Å; V214-Q218 PolarHBondContact O-N 2.78Å; D215-Q218 PolarHBondContact O-N 3.18Å; Q218-A221 PolarHBondContact O-N 3.37Å; Q218-G222 PolarHBondContact O-N 2.95Å; Q218-V255 HydrophobicContact CG-CG1 4.22Å; Q218-V255 HydrophobicContact CG-CG2 3.78Å; Q218-D451 WeakPolarHBondContact CG-O 3.36Å; Q218-D451 PolarHBondContact NE2-O 2.95Å; Q218-T453 PolarHBondContact O-N 3.38Å
219	R	98	Very high	97	Very high	98 Å²	98	32.7 Å²	32.7	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-67.4	-38.6	173.8	-70.7	175.8	-167.7	-114.5	-1.1	112.5	H195 D215 A216 G222 A223 T453	H195-R219 VanDerWaalsContact CE1-CD 3.42Å; H195-R219 WeakPolarHBondContact CE1-CD 3.46Å; D215-R219 WeakPolarHBondContact O-CB 3.48Å; D215-R219 VanDerWaalsContact O-CG 3.3Å; D215-R219 WeakPolarHBondContact O-CG 3.39Å; D215-R219 PolarHBondContact O-N 3.01Å; D215-R219 IonicContact OD1-CZ 3.66Å; D215-R219 IonicContact OD1-NE 3.14Å; D215-R219 PolarHBondContact OD1-NE 3.17Å; D215-R219 IonicContact OD1-NH2 3.74Å; D215-R219 PolarHBondContact OD1-NH2 2.95Å; D215-R219 IonicContact OD2-CZ 2.68Å; D215-R219 IonicContact OD2-NE 3.23Å; D215-R219 PolarHBondContact OD2-NE 3.03Å; D215-R219 IonicContact OD2-NH2 2.77Å; A216-R219 PolarHBondContact O-N 3.03Å; R219-G222 PolarHBondContact O-N 2.9Å; R219-A223 WeakPolarHBondContact O-CB 3.44Å; R219-A223 PolarHBondContact O-N 2.88Å; R219-T453 HydrophobicContact CG-CG2 4.09Å
220	A	98.4	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-47.5	173.5	0	0	0	0	0	111.3	G192 H195 T196 A216 F217 G222 A223 F224 M251	G192-A220 WeakPolarHBondContact O-CB 3.44Å; H195-A220 HydrophobicContact CB-CB 3.83Å; T196-A220 HydrophobicContact CG2-CB 3.62Å; A216-A220 PolarHBondContact O-N 3.21Å; F217-A220 PolarHBondContact O-N 3.42Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.83Å; A220-A223 PolarHBondContact O-N 3.5Å; A220-F224 HydrophobicContact CB-CE2 4.26Å; A220-F224 WeakPolarHBondContact O-CD2 3.42Å; A220-F224 WeakPolarHBondContact O-CG 3.31Å; A220-F224 PolarHBondContact O-N 3.16Å; A220-M251 HydrophobicContact CB-CG 4.05Å; A220-M251 HydrophobicContact CB-SD 4.01Å
221	A	98.5	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-44.4	175.3	0	0	0	0	0	111.7	F217 Q218 F224 N225 V248 M251 I452	F217-A221 WeakPolarHBondContact O-CB 3.05Å; F217-A221 PolarHBondContact O-N 3.08Å; Q218-A221 PolarHBondContact O-N 3.37Å; A221-F224 PolarHBondContact O-N 2.86Å; A221-N225 WeakPolarHBondContact O-CB 3.32Å; A221-N225 PolarHBondContact O-N 3.08Å; A221-V248 HydrophobicContact CB-CG1 4.46Å; A221-V248 WeakPolarHBondContact O-CG2 3Å; A221-M251 HydrophobicContact CB-CB 3.76Å; A221-M251 HydrophobicContact CB-CG 4.43Å; A221-I452 HydrophobicContact CB-CB 4.31Å; A221-I452 HydrophobicContact CB-CG2 3.67Å
222	G	98.1	Very high	95.8	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-38.2	177.6	0	0	0	0	0	113.7	Q218 R219 A220 N225 Y226 T453	Q218-G222 PolarHBondContact O-N 2.95Å; R219-G222 PolarHBondContact O-N 2.9Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.83Å; G222-N225 PolarHBondContact O-N 2.85Å; G222-Y226 WeakPolarHBondContact O-CB 3.11Å; G222-Y226 PolarHBondContact O-N 3.44Å; G222-T453 WeakPolarHBondContact CA-O 3.4Å
223	A	97.9	Very high	95	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-46.3	174.5	0	0	0	0	0	111.9	L188 R219 A220 Y226 L227	L188-A223 HydrophobicContact CD1-CB 4.33Å; R219-A223 WeakPolarHBondContact O-CB 3.44Å; R219-A223 PolarHBondContact O-N 2.88Å; A220-A223 PolarHBondContact O-N 3.5Å; A223-Y226 PolarHBondContact O-N 2.86Å; A223-L227 WeakPolarHBondContact O-CB 3.46Å; A223-L227 PolarHBondContact O-N 3.33Å
224	F	97.8	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-37.2	177	-61.3	-45.4	0	0	0	112.6	L109 F189 T196 A220 A221 L227 K228 L244 L247 V248 M251	L109-F224 HydrophobicContact CD2-CE1 4.27Å; L109-F224 HydrophobicContact CD2-CE2 4.12Å; L109-F224 HydrophobicContact CD2-CZ 3.6Å; F189-F224 HydrophobicContact CD1-CE1 4.47Å; F189-F224 HydrophobicContact CD2-CD1 4.2Å; F189-F224 AromaticContact CD2-CE1 3.92Å; F189-F224 HydrophobicContact CD2-CE1 3.92Å; F189-F224 HydrophobicContact CE1-CE1 4.48Å; F189-F224 HydrophobicContact CE2-CD1 4.35Å; F189-F224 AromaticContact CE2-CE1 3.94Å; F189-F224 HydrophobicContact CE2-CE1 3.94Å; F189-F224 HydrophobicContact CG-CE1 4.19Å; F189-F224 HydrophobicContact CZ-CE1 4.22Å; T196-F224 HydrophobicContact CG2-CE2 4.25Å; A220-F224 HydrophobicContact CB-CE2 4.26Å; A220-F224 WeakPolarHBondContact O-CD2 3.42Å; A220-F224 WeakPolarHBondContact O-CG 3.31Å; A220-F224 PolarHBondContact O-N 3.16Å; A221-F224 PolarHBondContact O-N 2.86Å; F224-L227 PolarHBondContact O-N 2.98Å; F224-K228 WeakPolarHBondContact O-CB 3.48Å; F224-K228 PolarHBondContact O-N 3.49Å; F224-L244 HydrophobicContact CB-CD2 4.22Å; F224-L244 HydrophobicContact CD1-CD2 4.11Å; F224-L244 HydrophobicContact CG-CD2 4.5Å; F224-L247 HydrophobicContact CD1-CD1 4.49Å; F224-L247 HydrophobicContact CD2-CB 4Å; F224-L247 HydrophobicContact CE1-CD1 4.47Å; F224-L247 HydrophobicContact CE2-CB 4.37Å; F224-L247 HydrophobicContact CG-CB 4.34Å; F224-V248 HydrophobicContact CB-CG2 3.74Å; F224-M251 HydrophobicContact CD2-CG 4.31Å; F224-M251 HydrophobicContact CE2-CG 4.25Å
225	N	97.6	Very high	93.5	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176.2	-167.7	67.6	0	0	0	111.5	A221 G222 L227 K228 E229 V248 I452	A221-N225 WeakPolarHBondContact O-CB 3.32Å; A221-N225 PolarHBondContact O-N 3.08Å; G222-N225 PolarHBondContact O-N 2.85Å; N225-L227 VanDerWaalsContact C-N 3.33Å; N225-L227 PolarHBondContact O-N 2.97Å; N225-K228 WeakPolarHBondContact O-CB 3.49Å; N225-K228 PolarHBondContact O-N 3.26Å; N225-K228 WeakPolarHBondContact OD1-CE 3.29Å; N225-K228 PolarHBondContact OD1-NZ 3.39Å; N225-E229 VanDerWaalsContact ND2-CD 3.3Å; N225-E229 PolarHBondContact ND2-OE1 3.21Å; N225-E229 WeakPolarHBondContact O-CG 3.47Å; N225-E229 PolarHBondContact O-N 2.9Å; N225-V248 HydrophobicContact CB-CG2 4Å; N225-I452 HydrophobicContact CB-CD1 3.94Å
226	Y	97	Very high	93	Very high	66 Å²	66	41.5 Å²	41.5	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-44.4	174.6	-174.2	-81.3	0	0	0	111.3	L188 G222 A223 K228 E229 N230 F231 P455 F457	L188-Y226 HydrophobicContact CD2-CD1 3.45Å; L188-Y226 VanDerWaalsContact CD2-CD1 3.45Å; L188-Y226 HydrophobicContact CD2-CE1 4.09Å; L188-Y226 HydrophobicContact CD2-CG 4.34Å; G222-Y226 WeakPolarHBondContact O-CB 3.11Å; G222-Y226 PolarHBondContact O-N 3.44Å; A223-Y226 PolarHBondContact O-N 2.86Å; Y226-K228 VanDerWaalsContact C-N 3.31Å; Y226-K228 PolarHBondContact O-N 3Å; Y226-E229 PolarHBondContact O-N 3.06Å; Y226-N230 HydrophobicContact CD1-CB 4.31Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.39Å; Y226-N230 HydrophobicContact CE1-CB 3.98Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.43Å; Y226-N230 WeakPolarHBondContact O-CB 3.48Å; Y226-N230 PolarHBondContact O-N 3.45Å; Y226-N230 PolarHBondContact O-ND2 3.27Å; Y226-F231 HydrophobicContact CD1-CE2 4.5Å; Y226-F231 HydrophobicContact CE1-CE2 4.26Å; Y226-P455 HydrophobicContact CD1-CG 4.48Å; Y226-P455 HydrophobicContact CD2-CG 4.12Å; Y226-P455 HydrophobicContact CG-CG 3.92Å; Y226-F457 HydrophobicContact CD1-CZ 4.28Å; Y226-F457 HydrophobicContact CD2-CE2 4.48Å; Y226-F457 HydrophobicContact CE1-CE2 4.3Å; Y226-F457 AromaticContact CE1-CZ 3.82Å; Y226-F457 HydrophobicContact CE1-CZ 3.82Å; Y226-F457 AromaticContact CE2-CE2 3.84Å; Y226-F457 HydrophobicContact CE2-CE2 3.84Å; Y226-F457 HydrophobicContact CE2-CZ 4.11Å; Y226-F457 AromaticContact CZ-CE2 3.73Å; Y226-F457 AromaticContact CZ-CZ 3.73Å
227	L	95.9	Very high	92.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-44.8	176.4	-174.7	62.2	0	0	0	111.1	L188 F189 A223 F224 N225 E229 F231 M239 L244	L188-L227 HydrophobicContact CD2-CB 4.33Å; F189-L227 HydrophobicContact CB-CD2 3.98Å; F189-L227 HydrophobicContact CD2-CD2 3.97Å; F189-L227 HydrophobicContact CG-CD2 4.5Å; A223-L227 WeakPolarHBondContact O-CB 3.46Å; A223-L227 PolarHBondContact O-N 3.33Å; F224-L227 PolarHBondContact O-N 2.98Å; N225-L227 VanDerWaalsContact C-N 3.33Å; N225-L227 PolarHBondContact O-N 2.97Å; L227-E229 PolarHBondContact O-N 2.95Å; L227-F231 HydrophobicContact CD1-CB 4.04Å; L227-F231 HydrophobicContact CD1-CD1 4.29Å; L227-F231 HydrophobicContact CD1-CD2 3.51Å; L227-F231 HydrophobicContact CD1-CE2 3.94Å; L227-F231 HydrophobicContact CD1-CG 3.69Å; L227-F231 WeakPolarHBondContact O-CB 3.42Å; L227-F231 PolarHBondContact O-N 3.45Å; L227-M239 HydrophobicContact CD2-CG 4.16Å; L227-M239 HydrophobicContact CD2-SD 4.43Å; L227-L244 HydrophobicContact CB-CD1 4.12Å; L227-L244 HydrophobicContact CD2-CD1 4.05Å; L227-L244 HydrophobicContact CD2-CD2 3.83Å; L227-L244 HydrophobicContact CG-CD1 3.82Å; L227-L244 HydrophobicContact CG-CD2 4.44Å
228	K	95.6	Very high	92.2	Very high	63 Å²	63	44.9 Å²	44.9	27%	0.274	24%	0.237	S	C	.	.	H	α-helix	trans	-60.4	-42.1	178.3	-179.4	-168.9	70.3	-174.6	0	112.5	F224 N225 Y226 A241 L244 S245	F224-K228 WeakPolarHBondContact O-CB 3.48Å; F224-K228 PolarHBondContact O-N 3.49Å; N225-K228 WeakPolarHBondContact O-CB 3.49Å; N225-K228 PolarHBondContact O-N 3.26Å; N225-K228 WeakPolarHBondContact OD1-CE 3.29Å; N225-K228 PolarHBondContact OD1-NZ 3.39Å; Y226-K228 VanDerWaalsContact C-N 3.31Å; Y226-K228 PolarHBondContact O-N 3Å; K228-A241 HydrophobicContact CG-CB 4.27Å; K228-L244 HydrophobicContact CB-CB 3.97Å; K228-L244 HydrophobicContact CB-CD1 3.87Å; K228-L244 HydrophobicContact CG-CB 4.42Å; K228-S245 WeakPolarHBondContact CD-OG 3.49Å
229	E	95.1	Very high	92	Very high	119 Å²	119	44 Å²	44	56%	0.556	23%	0.233	S	C	*	.	H	α-helix	trans	-78.5	-33.5	-175.2	-71.7	172.7	-177.8	0	0	112.9	N225 Y226 L227	N225-E229 VanDerWaalsContact ND2-CD 3.3Å; N225-E229 PolarHBondContact ND2-OE1 3.21Å; N225-E229 WeakPolarHBondContact O-CG 3.47Å; N225-E229 PolarHBondContact O-N 2.9Å; Y226-E229 PolarHBondContact O-N 3.06Å; L227-E229 PolarHBondContact O-N 2.95Å
230	N	92.8	Very high	91.8	Very high	80 Å²	80	40.1 Å²	40.1	43%	0.428	22%	0.221	S	C	.	.	H	α-helix	trans	-103.3	-13	-169.9	-64.4	-84.5	0	0	0	114.2	Y226	Y226-N230 HydrophobicContact CD1-CB 4.31Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.39Å; Y226-N230 HydrophobicContact CE1-CB 3.98Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.43Å; Y226-N230 WeakPolarHBondContact O-CB 3.48Å; Y226-N230 PolarHBondContact O-N 3.45Å; Y226-N230 PolarHBondContact O-ND2 3.27Å
231	F	89	Confident	91.5	Very high	45 Å²	45	43 Å²	43	20%	0.197	24%	0.244	C	C	.	.			trans	-121.5	75.4	-176.4	-63.5	-105	0	0	0	111.7	A181 K184 L188 Y226 L227 N233	A181-F231 HydrophobicContact CB-CD1 4.4Å; A181-F231 HydrophobicContact CB-CE1 4.28Å; A181-F231 WeakPolarHBondContact O-CE1 3.49Å; K184-F231 HydrophobicContact CB-CE1 4.23Å; K184-F231 HydrophobicContact CB-CZ 4.31Å; L188-F231 HydrophobicContact CD2-CE2 4.41Å; Y226-F231 HydrophobicContact CD1-CE2 4.5Å; Y226-F231 HydrophobicContact CE1-CE2 4.26Å; L227-F231 HydrophobicContact CD1-CB 4.04Å; L227-F231 HydrophobicContact CD1-CD1 4.29Å; L227-F231 HydrophobicContact CD1-CD2 3.51Å; L227-F231 HydrophobicContact CD1-CE2 3.94Å; L227-F231 HydrophobicContact CD1-CG 3.69Å; L227-F231 WeakPolarHBondContact O-CB 3.42Å; L227-F231 PolarHBondContact O-N 3.45Å; F231-N233 VanDerWaalsContact C-N 3.31Å; F231-N233 PolarHBondContact O-N 2.92Å
232	S	77.6	Confident	91.3	Very high	102 Å²	102	46.7 Å²	46.7	71%	0.713	26%	0.263	S	S	*	.			trans	-70.5	-17.2	-168.8	-37.5	0	0	0	0	115.8
233	N	80.8	Confident	91.1	Very high	147 Å²	147	46.5 Å²	46.5	79%	0.786	26%	0.262	S	S	*	.	S	Bend	trans	-109	75.8	-178.4	-69.2	-32.6	0	0	0	110.7	F231 P235	F231-N233 VanDerWaalsContact C-N 3.31Å; F231-N233 PolarHBondContact O-N 2.92Å; N233-P235 WeakPolarHBondContact O-CD 3.38Å
234	A	81.1	Confident	91	Very high	47 Å²	47	46.5 Å²	46.5	39%	0.388	26%	0.261	S	S	.	.			trans	-58	117.4	-175.4	0	0	0	0	0	112.5	S236 M239	A234-S236 VanDerWaalsContact C-N 3.31Å; A234-S236 PolarHBondContact O-N 3.42Å; A234-M239 WeakPolarHBondContact CB-O 3.46Å
235	P	81.5	Confident	91	Very high	29 Å²	29	48.6 Å²	48.6	19%	0.188	28%	0.276	C	S	.	.	S	Bend	trans	-70.2	-22.9	178.5	-25.6	37.6	0	0	0	115.9	S175 Q177 F182 N233 M239	S175-P235 PolarHBondContact OG-O 3.44Å; Q177-P235 HydrophobicContact CG-CB 4.2Å; Q177-P235 VanDerWaalsContact NE2-CG 3.28Å; F182-P235 HydrophobicContact CB-CG 4.32Å; F182-P235 HydrophobicContact CD2-CB 3.59Å; F182-P235 HydrophobicContact CD2-CG 3.34Å; F182-P235 HydrophobicContact CE2-CB 3.45Å; F182-P235 VanDerWaalsContact CE2-CB 3.45Å; F182-P235 HydrophobicContact CE2-CG 3.75Å; F182-P235 HydrophobicContact CG-CB 4.23Å; F182-P235 HydrophobicContact CG-CG 3.96Å; F182-P235 HydrophobicContact CZ-CB 3.99Å; N233-P235 WeakPolarHBondContact O-CD 3.38Å; P235-M239 HydrophobicContact CB-CE 3.8Å; P235-M239 HydrophobicContact CG-CE 3.65Å
236	S	86.2	Confident	90.9	Very high	18 Å²	18	47.6 Å²	47.6	13%	0.126	27%	0.271	C	S	.	.	S	Bend	trans	-152.2	160	-171.7	49.1	0	0	0	0	108.7	A234 D238 M239 S240	A234-S236 VanDerWaalsContact C-N 3.31Å; A234-S236 PolarHBondContact O-N 3.42Å; S236-D238 VanDerWaalsContact C-N 3.32Å; S236-D238 VanDerWaalsContact CB-OD1 3.26Å; S236-D238 WeakPolarHBondContact CB-OD1 3.4Å; S236-D238 PolarHBondContact O-N 3.36Å; S236-D238 PolarHBondContact OG-OD1 3.33Å; S236-M239 PolarHBondContact O-N 3Å; S236-M239 WeakPolarHBondContact OG-CE 3.33Å; S236-S240 PolarHBondContact O-N 3.06Å
237	L	88.3	Confident	90.9	Very high	72 Å²	72	44.5 Å²	44.5	38%	0.377	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-66.7	-34.9	-172.4	-169.6	56.8	0	0	0	111.5	M239 S240 S243 M301 Y304	L237-M239 PolarHBondContact O-N 3.46Å; L237-M239 VanDerWaalsContact O-N 3.15Å; L237-S240 WeakPolarHBondContact O-CB 3.31Å; L237-S240 PolarHBondContact O-N 2.89Å; L237-S240 PolarHBondContact O-OG 2.86Å; L237-S243 WeakPolarHBondContact O-CB 3.49Å; L237-S243 PolarHBondContact O-OG 3.1Å; L237-M301 HydrophobicContact CD1-CE 3.99Å; L237-M301 HydrophobicContact CD2-CE 4.07Å; L237-M301 HydrophobicContact CG-CE 4.03Å; L237-Y304 HydrophobicContact CB-CD2 4.37Å; L237-Y304 HydrophobicContact CB-CE1 4.26Å; L237-Y304 HydrophobicContact CB-CE2 3.84Å; L237-Y304 HydrophobicContact CD2-CD1 3.86Å; L237-Y304 HydrophobicContact CD2-CD2 3.43Å; L237-Y304 VanDerWaalsContact CD2-CD2 3.43Å; L237-Y304 HydrophobicContact CD2-CE1 4.17Å; L237-Y304 HydrophobicContact CD2-CE2 3.79Å; L237-Y304 HydrophobicContact CD2-CG 3.47Å; L237-Y304 VanDerWaalsContact CD2-CG 3.47Å; L237-Y304 HydrophobicContact CG-CD1 3.99Å; L237-Y304 HydrophobicContact CG-CD2 4.11Å; L237-Y304 HydrophobicContact CG-CE1 3.87Å; L237-Y304 HydrophobicContact CG-CE2 4.01Å; L237-Y304 HydrophobicContact CG-CG 4.11Å
238	D	91.8	Very high	91.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60	-25.1	176.2	55.1	-4	0	0	0	114.3	K112 D168 S169 F189 S236 Y304	K112-D238 IonicContact NZ-OD1 3.72Å; K112-D238 PolarHBondContact NZ-OD1 3.48Å; K112-D238 IonicContact NZ-OD2 2.66Å; K112-D238 PolarHBondContact NZ-OD2 3.43Å; D168-D238 WeakPolarHBondContact CA-OD2 3.23Å; D168-D238 PolarHBondContact OD2-N 2.7Å; D168-D238 VanDerWaalsContact OD2-N 3.14Å; S169-D238 PolarHBondContact N-OD2 3.41Å; S169-D238 WeakPolarHBondContact OG-CB 3.48Å; S169-D238 PolarHBondContact OG-OD2 3.44Å; F189-D238 HydrophobicContact CE2-CB 4.23Å; F189-D238 HydrophobicContact CZ-CB 4.43Å; S236-D238 VanDerWaalsContact C-N 3.32Å; S236-D238 VanDerWaalsContact CB-OD1 3.26Å; S236-D238 WeakPolarHBondContact CB-OD1 3.4Å; S236-D238 PolarHBondContact O-N 3.36Å; S236-D238 PolarHBondContact OG-OD1 3.33Å; D238-Y304 WeakPolarHBondContact CA-OH 3.37Å; D238-Y304 WeakPolarHBondContact CB-OH 3.28Å; D238-Y304 PolarHBondContact N-OH 3.41Å
239	M	92.9	Very high	91.2	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.044	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-100	6.2	175.8	-63.1	-170.4	-75.1	0	0	113	F182 F189 L227 A234 P235 S236 L237 L244	F182-M239 HydrophobicContact CD2-CE 3.71Å; F182-M239 HydrophobicContact CE2-CE 3.4Å; F189-M239 HydrophobicContact CD2-CG 4.36Å; L227-M239 HydrophobicContact CD2-CG 4.16Å; L227-M239 HydrophobicContact CD2-SD 4.43Å; A234-M239 WeakPolarHBondContact CB-O 3.46Å; P235-M239 HydrophobicContact CB-CE 3.8Å; P235-M239 HydrophobicContact CG-CE 3.65Å; S236-M239 PolarHBondContact O-N 3Å; S236-M239 WeakPolarHBondContact OG-CE 3.33Å; L237-M239 PolarHBondContact O-N 3.46Å; L237-M239 VanDerWaalsContact O-N 3.15Å; M239-L244 WeakPolarHBondContact O-CD1 3.36Å
240	S	93.4	Very high	91.3	Very high	17 Å²	17	41.9 Å²	41.9	12%	0.119	24%	0.244	C	C	.	.	S	Bend	trans	-67.1	152.6	174.2	76.9	0	0	0	0	111	S236 L237 L242 S243 L244	S236-S240 PolarHBondContact O-N 3.06Å; L237-S240 WeakPolarHBondContact O-CB 3.31Å; L237-S240 PolarHBondContact O-N 2.89Å; L237-S240 PolarHBondContact O-OG 2.86Å; S240-L242 PolarHBondContact O-N 3.01Å; S240-S243 PolarHBondContact O-N 3.3Å; S240-S243 WeakPolarHBondContact OG-CB 3.49Å; S240-S243 PolarHBondContact OG-N 3.43Å; S240-S243 VanDerWaalsContact OG-N 3.16Å; S240-S243 PolarHBondContact OG-OG 2.98Å; S240-S243 VanDerWaalsContact OG-OG 3.07Å; S240-L244 WeakPolarHBondContact O-CB 3.47Å; S240-L244 WeakPolarHBondContact O-CG 3.36Å; S240-L244 PolarHBondContact O-N 3.47Å
241	A	93.8	Very high	91.6	Very high	59 Å²	59	38 Å²	38	49%	0.488	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-31.7	177.8	0	0	0	0	0	112.8	K228 S245	K228-A241 HydrophobicContact CG-CB 4.27Å; A241-S245 WeakPolarHBondContact O-CB 3.48Å; A241-S245 PolarHBondContact O-N 2.82Å; A241-S245 PolarHBondContact O-OG 3.39Å
242	L	93.4	Very high	92	Very high	79 Å²	79	37.5 Å²	37.5	41%	0.414	22%	0.223	S	C	.	.	H	α-helix	trans	-67.8	-51.7	176.6	-64.2	177.5	0	0	0	111.1	S240 S245 M246 L300 M301	S240-L242 PolarHBondContact O-N 3.01Å; L242-S245 PolarHBondContact O-N 3.33Å; L242-M246 PolarHBondContact O-N 3.01Å; L242-L300 HydrophobicContact CD1-CD1 3.87Å; L242-M301 HydrophobicContact CB-SD 4.41Å
243	S	94.4	Very high	93	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-43.5	-180	-57	0	0	0	0	111.7	L237 S240 S245 M246 L247 M301	L237-S243 WeakPolarHBondContact O-CB 3.49Å; L237-S243 PolarHBondContact O-OG 3.1Å; S240-S243 PolarHBondContact O-N 3.3Å; S240-S243 WeakPolarHBondContact OG-CB 3.49Å; S240-S243 PolarHBondContact OG-N 3.43Å; S240-S243 VanDerWaalsContact OG-N 3.16Å; S240-S243 PolarHBondContact OG-OG 2.98Å; S240-S243 VanDerWaalsContact OG-OG 3.07Å; S243-S245 VanDerWaalsContact C-N 3.34Å; S243-S245 PolarHBondContact O-N 2.69Å; S243-M246 WeakPolarHBondContact O-CB 3.45Å; S243-M246 PolarHBondContact O-N 3.42Å; S243-L247 VanDerWaalsContact O-CG 3.31Å; S243-L247 WeakPolarHBondContact O-CG 3.41Å; S243-L247 PolarHBondContact O-N 3.17Å; S243-M301 PolarHBondContact OG-SD 3.3Å; S243-M301 VanDerWaalsContact OG-SD 3.4Å
244	L	96.1	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-37.8	176.8	-65.4	173.6	0	0	0	112.1	F189 F224 L227 K228 M239 S240 M246 L247 V248	F189-L244 HydrophobicContact CD2-CD2 4.31Å; F189-L244 HydrophobicContact CE2-CD2 4.35Å; F224-L244 HydrophobicContact CB-CD2 4.22Å; F224-L244 HydrophobicContact CD1-CD2 4.11Å; F224-L244 HydrophobicContact CG-CD2 4.5Å; L227-L244 HydrophobicContact CB-CD1 4.12Å; L227-L244 HydrophobicContact CD2-CD1 4.05Å; L227-L244 HydrophobicContact CD2-CD2 3.83Å; L227-L244 HydrophobicContact CG-CD1 3.82Å; L227-L244 HydrophobicContact CG-CD2 4.44Å; K228-L244 HydrophobicContact CB-CB 3.97Å; K228-L244 HydrophobicContact CB-CD1 3.87Å; K228-L244 HydrophobicContact CG-CB 4.42Å; M239-L244 WeakPolarHBondContact O-CD1 3.36Å; S240-L244 WeakPolarHBondContact O-CB 3.47Å; S240-L244 WeakPolarHBondContact O-CG 3.36Å; S240-L244 PolarHBondContact O-N 3.47Å; L244-M246 VanDerWaalsContact C-N 3.34Å; L244-L247 HydrophobicContact CD2-CD1 4.47Å; L244-L247 PolarHBondContact O-N 2.96Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.23Å; L244-V248 WeakPolarHBondContact O-CG2 3.12Å; L244-V248 PolarHBondContact O-N 3.36Å
245	S	96.1	Very high	94.6	Very high	44 Å²	44	23.5 Å²	23.5	31%	0.308	13%	0.134	S	C	.	.	H	α-helix	trans	-64.9	-39.2	174.2	-61.7	0	0	0	0	112	K228 A241 L242 S243 R249	K228-S245 WeakPolarHBondContact CD-OG 3.49Å; A241-S245 WeakPolarHBondContact O-CB 3.48Å; A241-S245 PolarHBondContact O-N 2.82Å; A241-S245 PolarHBondContact O-OG 3.39Å; L242-S245 PolarHBondContact O-N 3.33Å; S243-S245 VanDerWaalsContact C-N 3.34Å; S243-S245 PolarHBondContact O-N 2.69Å; S245-R249 WeakPolarHBondContact O-CB 3.33Å; S245-R249 PolarHBondContact O-N 2.83Å
246	M	96.9	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-47.5	173.4	179.9	-82.3	-66.4	0	0	111.2	L242 S243 L244 R249 L250 T295 M296 V305	L242-M246 PolarHBondContact O-N 3.01Å; S243-M246 WeakPolarHBondContact O-CB 3.45Å; S243-M246 PolarHBondContact O-N 3.42Å; L244-M246 VanDerWaalsContact C-N 3.34Å; M246-R249 PolarHBondContact O-N 2.81Å; M246-L250 PolarHBondContact O-N 3.23Å; M246-T295 HydrophobicContact CB-CG2 3.65Å; M246-T295 HydrophobicContact CG-CG2 3.95Å; M246-M296 HydrophobicContact CG-CE 4.47Å; M246-M296 HydrophobicContact CG-CG 3.92Å; M246-M296 HydrophobicContact SD-CE 3.52Å; M246-M296 VanDerWaalsContact SD-CE 3.52Å; M246-M296 HydrophobicContact SD-CG 4.08Å; M246-V305 HydrophobicContact CE-CG2 3.8Å
247	L	97.4	Very high	96	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-44.4	179.4	-68.5	177.3	0	0	0	112.3	L109 F189 F224 S243 L244 R249 L250 M251 W309	L109-L247 HydrophobicContact CD1-CD2 4.01Å; L109-L247 HydrophobicContact CD2-CD1 3.63Å; L109-L247 HydrophobicContact CD2-CD2 3.63Å; L109-L247 HydrophobicContact CD2-CG 4.2Å; L109-L247 HydrophobicContact CG-CD2 4.23Å; F189-L247 HydrophobicContact CE2-CD1 3.93Å; F189-L247 HydrophobicContact CZ-CD1 4.17Å; F224-L247 HydrophobicContact CD1-CD1 4.49Å; F224-L247 HydrophobicContact CD2-CB 4Å; F224-L247 HydrophobicContact CE1-CD1 4.47Å; F224-L247 HydrophobicContact CE2-CB 4.37Å; F224-L247 HydrophobicContact CG-CB 4.34Å; S243-L247 VanDerWaalsContact O-CG 3.31Å; S243-L247 WeakPolarHBondContact O-CG 3.41Å; S243-L247 PolarHBondContact O-N 3.17Å; L244-L247 HydrophobicContact CD2-CD1 4.47Å; L244-L247 PolarHBondContact O-N 2.96Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.33Å; L247-L250 PolarHBondContact O-N 2.95Å; L247-M251 WeakPolarHBondContact O-CG 3Å; L247-M251 PolarHBondContact O-N 3.37Å; L247-W309 HydrophobicContact CD2-CZ3 4.32Å
248	V	98.3	Very high	96.4	Very high	19 Å²	19	17.9 Å²	17.9	12%	0.115	10%	0.101	C	C	.	.	H	α-helix	trans	-56.5	-45.9	173.6	170	0	0	0	0	110.4	A221 F224 N225 L244 L250 M251 V252	A221-V248 HydrophobicContact CB-CG1 4.46Å; A221-V248 WeakPolarHBondContact O-CG2 3Å; F224-V248 HydrophobicContact CB-CG2 3.74Å; N225-V248 HydrophobicContact CB-CG2 4Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.23Å; L244-V248 WeakPolarHBondContact O-CG2 3.12Å; L244-V248 PolarHBondContact O-N 3.36Å; V248-L250 PolarHBondContact O-N 3.4Å; V248-M251 PolarHBondContact O-N 3.14Å; V248-V252 WeakPolarHBondContact O-CG2 3.31Å; V248-V252 PolarHBondContact O-N 2.73Å
249	R	97.6	Very high	96.6	Very high	110 Å²	110	17.9 Å²	17.9	42%	0.415	10%	0.102	S	C	.	.	H	α-helix	trans	-66.4	-38.4	-178.9	-153.3	-177.2	-75	-80.7	9.7	111.9	S245 M246 L247 V252 A253 V292	S245-R249 WeakPolarHBondContact O-CB 3.33Å; S245-R249 PolarHBondContact O-N 2.83Å; M246-R249 PolarHBondContact O-N 2.81Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.33Å; R249-V252 PolarHBondContact O-N 3.47Å; R249-A253 PolarHBondContact O-N 3.37Å; R249-V292 HydrophobicContact CB-CG2 4.1Å; R249-V292 HydrophobicContact CG-CG2 3.94Å; R249-V292 WeakPolarHBondContact O-CG2 3.33Å
250	L	98.3	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-45.1	173	177.4	63.3	0	0	0	111.5	I107 M246 L247 V248 V252 A253 Q254 Y289 V292 M296 W309 V313	I107-L250 HydrophobicContact CB-CD2 4.31Å; I107-L250 HydrophobicContact CD1-CD1 4.13Å; I107-L250 HydrophobicContact CG2-CD2 4.11Å; M246-L250 PolarHBondContact O-N 3.23Å; L247-L250 PolarHBondContact O-N 2.95Å; V248-L250 PolarHBondContact O-N 3.4Å; L250-V252 PolarHBondContact O-N 3.27Å; L250-A253 PolarHBondContact O-N 3.41Å; L250-Q254 WeakPolarHBondContact O-CG 3.49Å; L250-Q254 PolarHBondContact O-N 3.23Å; L250-Y289 HydrophobicContact CD1-CE1 4.29Å; L250-V292 HydrophobicContact CB-CG1 4.06Å; L250-V292 HydrophobicContact CD1-CG1 4.01Å; L250-M296 HydrophobicContact CD1-CE 4.47Å; L250-M296 HydrophobicContact CD2-CE 4.1Å; L250-W309 HydrophobicContact CD2-CE3 4.47Å; L250-V313 HydrophobicContact CD1-CG2 3.9Å
251	M	98.4	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-43.6	177.8	-66.9	-51.6	101.5	0	0	111.6	L109 T196 F217 A220 A221 F224 L247 V248 A253 Q254 V255	L109-M251 HydrophobicContact CD1-CE 3.81Å; T196-M251 HydrophobicContact CG2-CE 4.02Å; T196-M251 HydrophobicContact CG2-SD 3.31Å; T196-M251 WeakPolarHBondContact CG2-SD 3.42Å; F217-M251 HydrophobicContact CD1-SD 3.66Å; F217-M251 HydrophobicContact CE1-SD 4.31Å; A220-M251 HydrophobicContact CB-CG 4.05Å; A220-M251 HydrophobicContact CB-SD 4.01Å; A221-M251 HydrophobicContact CB-CB 3.76Å; A221-M251 HydrophobicContact CB-CG 4.43Å; F224-M251 HydrophobicContact CD2-CG 4.31Å; F224-M251 HydrophobicContact CE2-CG 4.25Å; L247-M251 WeakPolarHBondContact O-CG 3Å; L247-M251 PolarHBondContact O-N 3.37Å; V248-M251 PolarHBondContact O-N 3.14Å; M251-A253 VanDerWaalsContact C-N 3.32Å; M251-A253 PolarHBondContact O-N 3.24Å; M251-Q254 PolarHBondContact O-N 3.46Å; M251-V255 WeakPolarHBondContact O-CG2 3.42Å; M251-V255 PolarHBondContact O-N 3.39Å
252	V	97.9	Very high	96.8	Very high	33 Å²	33	17.3 Å²	17.3	20%	0.2	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-39.9	175.4	164	0	0	0	0	111.9	V248 R249 L250 V255 Q256 P450 I452	V248-V252 WeakPolarHBondContact O-CG2 3.31Å; V248-V252 PolarHBondContact O-N 2.73Å; R249-V252 PolarHBondContact O-N 3.47Å; L250-V252 PolarHBondContact O-N 3.27Å; V252-V255 PolarHBondContact O-N 3.23Å; V252-Q256 PolarHBondContact O-N 2.9Å; V252-P450 HydrophobicContact CG1-CB 3.97Å; V252-P450 HydrophobicContact CG1-CG 4.17Å; V252-I452 HydrophobicContact CG2-CG2 4.24Å
253	A	98.4	Very high	96.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-41.1	175.9	0	0	0	0	0	112.3	R249 L250 M251 V255 Q256 E257 V288 Y289 V292	R249-A253 PolarHBondContact O-N 3.37Å; L250-A253 PolarHBondContact O-N 3.41Å; M251-A253 VanDerWaalsContact C-N 3.32Å; M251-A253 PolarHBondContact O-N 3.24Å; A253-V255 VanDerWaalsContact C-N 3.33Å; A253-V255 PolarHBondContact O-N 2.83Å; A253-Q256 PolarHBondContact O-N 3.28Å; A253-E257 PolarHBondContact O-N 2.91Å; A253-V288 HydrophobicContact CB-CB 4.17Å; A253-V288 HydrophobicContact CB-CG2 3.74Å; A253-Y289 HydrophobicContact CB-CD1 3.6Å; A253-Y289 HydrophobicContact CB-CD2 4.46Å; A253-Y289 HydrophobicContact CB-CE1 3.47Å; A253-Y289 VanDerWaalsContact CB-CE1 3.47Å; A253-Y289 HydrophobicContact CB-CE2 4.35Å; A253-Y289 HydrophobicContact CB-CG 4.1Å; A253-V292 HydrophobicContact CB-CG2 4.05Å
254	Q	98.3	Very high	96.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.3	-33.4	174.8	-66.9	-172.6	144.1	0	0	113	M106 I107 F217 L250 M251 E257 C258 Y289	M106-Q254 HydrophobicContact SD-CB 3.83Å; M106-Q254 HydrophobicContact SD-CG 3.7Å; I107-Q254 PolarHBondContact O-NE2 2.66Å; I107-Q254 PolarHBondContact O-OE1 3.19Å; F217-Q254 HydrophobicContact CD2-CB 3.99Å; F217-Q254 HydrophobicContact CE2-CB 4.11Å; F217-Q254 HydrophobicContact CG-CB 4.25Å; F217-Q254 HydrophobicContact CZ-CB 4.45Å; L250-Q254 WeakPolarHBondContact O-CG 3.49Å; L250-Q254 PolarHBondContact O-N 3.23Å; M251-Q254 PolarHBondContact O-N 3.46Å; Q254-E257 PolarHBondContact O-N 2.77Å; Q254-C258 PolarHBondContact O-N 3.06Å; Q254-C258 PolarHBondContact O-SG 3.49Å; Q254-Y289 WeakPolarHBondContact CA-OH 3.13Å; Q254-Y289 VanDerWaalsContact CG-OH 3.32Å; Q254-Y289 WeakPolarHBondContact CG-OH 3.21Å; Q254-Y289 PolarHBondContact N-OH 2.88Å
255	V	98.2	Very high	96.5	Very high	2 Å²	2	19 Å²	19	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-44.8	170.8	173.7	0	0	0	0	110.5	V214 F217 Q218 M251 V252 A253 E257 C258 V259 P450	V214-V255 HydrophobicContact CG1-CG1 3.98Å; V214-V255 HydrophobicContact CG2-CG1 4.4Å; F217-V255 HydrophobicContact CB-CG2 3.54Å; Q218-V255 HydrophobicContact CG-CG1 4.22Å; Q218-V255 HydrophobicContact CG-CG2 3.78Å; M251-V255 WeakPolarHBondContact O-CG2 3.42Å; M251-V255 PolarHBondContact O-N 3.39Å; V252-V255 PolarHBondContact O-N 3.23Å; A253-V255 VanDerWaalsContact C-N 3.33Å; A253-V255 PolarHBondContact O-N 2.83Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 2.88Å; V255-C258 WeakPolarHBondContact O-CB 3.34Å; V255-C258 PolarHBondContact O-N 2.88Å; V255-C258 VanDerWaalsContact O-N 3.16Å; V255-V259 HydrophobicContact CG1-CG2 4.37Å; V255-V259 WeakPolarHBondContact O-CG2 3.42Å; V255-V259 PolarHBondContact O-N 3.47Å; V255-P450 HydrophobicContact CB-CB 4.05Å; V255-P450 HydrophobicContact CB-CG 4.45Å; V255-P450 HydrophobicContact CG1-CB 3.67Å; V255-P450 HydrophobicContact CG1-CG 4.11Å
256	Q	98	Very high	96.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-63.8	-37.3	178.7	-172.4	60	56.4	0	0	112	V252 A253 V259 F260 E281 Q284 V285 V288 T446 P450	V252-Q256 PolarHBondContact O-N 2.9Å; A253-Q256 PolarHBondContact O-N 3.28Å; Q256-V259 PolarHBondContact O-N 3.41Å; Q256-F260 PolarHBondContact O-N 3.43Å; Q256-E281 PolarHBondContact NE2-OE2 3.2Å; Q256-Q284 HydrophobicContact CG-CG 3.98Å; Q256-V285 HydrophobicContact CG-CG2 3.83Å; Q256-V285 WeakPolarHBondContact O-CG2 3.38Å; Q256-V288 HydrophobicContact CB-CG2 4.09Å; Q256-V288 HydrophobicContact CG-CG2 4.2Å; Q256-T446 PolarHBondContact NE2-OG1 2.79Å; Q256-T446 PolarHBondContact OE1-OG1 2.9Å; Q256-P450 HydrophobicContact CB-CG 4.04Å
257	E	97.4	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-47.5	170.7	176.6	170.8	143.3	0	0	111.5	M106 A253 Q254 V255 V259 F260 E261 V285 Y289 K316 F320	M106-E257 HydrophobicContact CE-CB 4.26Å; M106-E257 HydrophobicContact CE-CG 3.83Å; M106-E257 WeakPolarHBondContact CE-OE1 3.29Å; A253-E257 PolarHBondContact O-N 2.91Å; Q254-E257 PolarHBondContact O-N 2.77Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 2.88Å; E257-V259 VanDerWaalsContact C-N 3.33Å; E257-V259 PolarHBondContact O-N 3.22Å; E257-F260 WeakPolarHBondContact O-CB 3.41Å; E257-F260 PolarHBondContact O-N 2.86Å; E257-E261 WeakPolarHBondContact O-CG 3.45Å; E257-E261 PolarHBondContact O-N 2.72Å; E257-V285 HydrophobicContact CB-CG1 4.14Å; E257-Y289 HydrophobicContact CB-CE2 4.24Å; E257-Y289 VanDerWaalsContact OE2-CE2 3.28Å; E257-Y289 WeakPolarHBondContact OE2-CE2 3.36Å; E257-Y289 PolarHBondContact OE2-OH 3.28Å; E257-K316 IonicContact OE1-NZ 3.16Å; E257-K316 PolarHBondContact OE1-NZ 3.34Å; E257-K316 WeakPolarHBondContact OE2-CD 3.27Å; E257-K316 IonicContact OE2-NZ 3.08Å; E257-K316 PolarHBondContact OE2-NZ 2.71Å; E257-F320 HydrophobicContact CB-CZ 4.48Å; E257-F320 HydrophobicContact CG-CE1 4.47Å; E257-F320 HydrophobicContact CG-CE2 4.02Å; E257-F320 HydrophobicContact CG-CZ 3.6Å; E257-F320 WeakPolarHBondContact OE2-CE2 3.09Å
258	C	96.8	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-39.8	176	-68.3	0	0	0	0	112.2	I210 V214 Q254 V255 F260 E261 R262	I210-C258 HydrophobicContact CG2-CB 3.82Å; I210-C258 WeakPolarHBondContact CG2-O 3.44Å; V214-C258 HydrophobicContact CG2-CB 3.48Å; V214-C258 VanDerWaalsContact CG2-CB 3.48Å; Q254-C258 PolarHBondContact O-N 3.06Å; Q254-C258 PolarHBondContact O-SG 3.49Å; V255-C258 WeakPolarHBondContact O-CB 3.34Å; V255-C258 PolarHBondContact O-N 2.88Å; V255-C258 VanDerWaalsContact O-N 3.16Å; C258-F260 VanDerWaalsContact C-N 3.35Å; C258-E261 PolarHBondContact O-N 3.36Å; C258-R262 PolarHBondContact O-N 3.41Å
259	V	95.7	Very high	94.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-45.7	175.7	170.4	0	0	0	0	110.4	V255 Q256 E257 R262 I263 Q448	V255-V259 HydrophobicContact CG1-CG2 4.37Å; V255-V259 WeakPolarHBondContact O-CG2 3.42Å; V255-V259 PolarHBondContact O-N 3.47Å; Q256-V259 PolarHBondContact O-N 3.41Å; E257-V259 VanDerWaalsContact C-N 3.33Å; E257-V259 PolarHBondContact O-N 3.22Å; V259-R262 PolarHBondContact O-N 3.46Å; V259-I263 HydrophobicContact CG1-CD1 3.92Å; V259-I263 WeakPolarHBondContact O-CG1 3.42Å; V259-I263 PolarHBondContact O-N 2.52Å; V259-Q448 HydrophobicContact CG1-CB 4.22Å
260	F	96	Very high	93.6	Very high	10 Å²	10	35 Å²	35	4%	0.044	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175.9	165.1	-96.3	0	0	0	112.3	Q256 E257 C258 R262 I263 T264 L278 E281 A282 V285 F320 L323 Y327	Q256-F260 PolarHBondContact O-N 3.43Å; E257-F260 WeakPolarHBondContact O-CB 3.41Å; E257-F260 PolarHBondContact O-N 2.86Å; C258-F260 VanDerWaalsContact C-N 3.35Å; F260-R262 VanDerWaalsContact C-N 3.31Å; F260-R262 PolarHBondContact O-N 2.99Å; F260-I263 PolarHBondContact O-N 2.7Å; F260-T264 WeakPolarHBondContact CZ-OG1 3.37Å; F260-T264 WeakPolarHBondContact O-CB 3.41Å; F260-T264 PolarHBondContact O-N 3.14Å; F260-T264 PolarHBondContact O-OG1 2.86Å; F260-L278 HydrophobicContact CE2-CD2 4.34Å; F260-E281 HydrophobicContact CD2-CB 3.89Å; F260-A282 HydrophobicContact CD2-CB 4.11Å; F260-A282 HydrophobicContact CE2-CB 3.75Å; F260-A282 HydrophobicContact CZ-CB 4.3Å; F260-V285 HydrophobicContact CB-CG2 3.71Å; F260-V285 HydrophobicContact CG-CG2 4.28Å; F260-F320 HydrophobicContact CD1-CD1 4.15Å; F260-F320 AromaticContact CD1-CE1 3.64Å; F260-F320 HydrophobicContact CD1-CE1 3.64Å; F260-F320 HydrophobicContact CE1-CD1 4.13Å; F260-F320 AromaticContact CE1-CE1 3.71Å; F260-F320 HydrophobicContact CE1-CE1 3.71Å; F260-L323 HydrophobicContact CE1-CD1 4.21Å; F260-L323 HydrophobicContact CZ-CD1 4.22Å; F260-Y327 HydrophobicContact CE2-CE2 4.04Å; F260-Y327 AromaticContact CZ-CE2 3.78Å; F260-Y327 HydrophobicContact CZ-CE2 3.78Å
261	E	94.9	Very high	93.1	Very high	25 Å²	25	41.1 Å²	41.1	12%	0.117	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-44.4	175.6	-72.2	174.5	161.1	0	0	110.9	R204 I210 E257 C258 T264 I265	R204-E261 WeakPolarHBondContact CD-OE2 3.45Å; R204-E261 IonicContact CZ-OE1 2.71Å; R204-E261 IonicContact NE-OE1 2.72Å; R204-E261 PolarHBondContact NE-OE1 3.05Å; R204-E261 IonicContact NE-OE2 3.11Å; R204-E261 PolarHBondContact NE-OE2 3.37Å; R204-E261 IonicContact NH2-OE1 3.89Å; R204-E261 PolarHBondContact NH2-OE1 3.22Å; I210-E261 HydrophobicContact CD1-CB 3.89Å; E257-E261 WeakPolarHBondContact O-CG 3.45Å; E257-E261 PolarHBondContact O-N 2.72Å; C258-E261 PolarHBondContact O-N 3.36Å; E261-T264 WeakPolarHBondContact O-CB 3.1Å; E261-T264 PolarHBondContact O-N 2.91Å; E261-I265 WeakPolarHBondContact O-CG1 3.22Å; E261-I265 PolarHBondContact O-N 2.85Å
262	R	94.3	Very high	92.6	Very high	38 Å²	38	41.7 Å²	41.7	14%	0.143	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-47.6	178.2	-174.6	173.1	56.8	-142.7	-10.7	111.7	T207 I210 D211 C258 V259 F260 T264 I265 T266	T207-R262 HydrophobicContact CG2-CG 4.31Å; I210-R262 HydrophobicContact CD1-CB 4.17Å; I210-R262 HydrophobicContact CG2-CB 4.03Å; D211-R262 IonicContact OD1-CZ 3.85Å; D211-R262 IonicContact OD1-NH1 3.7Å; D211-R262 PolarHBondContact OD1-NH1 2.85Å; C258-R262 PolarHBondContact O-N 3.41Å; V259-R262 PolarHBondContact O-N 3.46Å; F260-R262 VanDerWaalsContact C-N 3.31Å; F260-R262 PolarHBondContact O-N 2.99Å; R262-T264 VanDerWaalsContact C-N 3.27Å; R262-T264 PolarHBondContact O-N 2.81Å; R262-I265 PolarHBondContact O-N 3.16Å; R262-T266 HydrophobicContact CG-CG2 4.43Å; R262-T266 WeakPolarHBondContact O-CG2 3.39Å; R262-T266 PolarHBondContact O-N 3.21Å; R262-T266 PolarHBondContact O-OG1 3.15Å
263	I	93.5	Very high	92.2	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.062	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-42.5	178.5	-65.8	167.6	0	0	0	109.7	V259 F260 I265 T266 T267 L278 E281	V259-I263 HydrophobicContact CG1-CD1 3.92Å; V259-I263 WeakPolarHBondContact O-CG1 3.42Å; V259-I263 PolarHBondContact O-N 2.52Å; F260-I263 PolarHBondContact O-N 2.7Å; I263-I265 VanDerWaalsContact C-N 3.31Å; I263-I265 PolarHBondContact O-N 3.15Å; I263-T266 WeakPolarHBondContact CA-OG1 3.47Å; I263-T266 PolarHBondContact O-N 3.4Å; I263-T266 PolarHBondContact O-OG1 3.03Å; I263-T266 VanDerWaalsContact O-OG1 3.1Å; I263-T267 WeakPolarHBondContact O-CB 3.42Å; I263-T267 PolarHBondContact O-N 3.1Å; I263-T267 PolarHBondContact O-OG1 2.96Å; I263-L278 HydrophobicContact CB-CD2 4.49Å; I263-L278 HydrophobicContact CG2-CD2 3.78Å; I263-E281 HydrophobicContact CD1-CG 3.69Å; I263-E281 WeakPolarHBondContact CD1-OE1 3.45Å
264	T	93.1	Very high	91.8	Very high	43 Å²	43	43.5 Å²	43.5	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-39.7	177.1	-55.6	0	0	0	0	112.4	F260 E261 R262	F260-T264 WeakPolarHBondContact CZ-OG1 3.37Å; F260-T264 WeakPolarHBondContact O-CB 3.41Å; F260-T264 PolarHBondContact O-N 3.14Å; F260-T264 PolarHBondContact O-OG1 2.86Å; E261-T264 WeakPolarHBondContact O-CB 3.1Å; E261-T264 PolarHBondContact O-N 2.91Å; R262-T264 VanDerWaalsContact C-N 3.27Å; R262-T264 PolarHBondContact O-N 2.81Å
265	I	91.6	Very high	91.6	Very high	60 Å²	60	44.3 Å²	44.3	31%	0.308	22%	0.221	S	C	.	.	H	α-helix	trans	-74.1	-39.1	178.4	-67.7	168.1	0	0	0	112.1	T207 I210 E261 R262 I263	T207-I265 HydrophobicContact CG2-CG2 4.14Å; I210-I265 HydrophobicContact CD1-CD1 3.59Å; E261-I265 WeakPolarHBondContact O-CG1 3.22Å; E261-I265 PolarHBondContact O-N 2.85Å; R262-I265 PolarHBondContact O-N 3.16Å; I263-I265 VanDerWaalsContact C-N 3.31Å; I263-I265 PolarHBondContact O-N 3.15Å
266	T	91.4	Very high	91.4	Very high	87 Å²	87	44.4 Å²	44.4	53%	0.534	22%	0.221	S	C	.	.	H	α-helix	trans	-76	-31.7	-177.8	52	0	0	0	0	112.6	T207 R262 I263 R268	T207-T266 HydrophobicContact CG2-CG2 4.19Å; R262-T266 HydrophobicContact CG-CG2 4.43Å; R262-T266 WeakPolarHBondContact O-CG2 3.39Å; R262-T266 PolarHBondContact O-N 3.21Å; R262-T266 PolarHBondContact O-OG1 3.15Å; I263-T266 WeakPolarHBondContact CA-OG1 3.47Å; I263-T266 PolarHBondContact O-N 3.4Å; I263-T266 PolarHBondContact O-OG1 3.03Å; I263-T266 VanDerWaalsContact O-OG1 3.1Å; T266-R268 PolarHBondContact O-N 3.46Å; T266-R268 VanDerWaalsContact O-N 3.15Å
267	T	88.9	Confident	91.2	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.19	23%	0.23	C	C	.	.			trans	-80.5	94	178.4	-61.6	0	0	0	0	109.6	I263 L278	I263-T267 WeakPolarHBondContact O-CB 3.42Å; I263-T267 PolarHBondContact O-N 3.1Å; I263-T267 PolarHBondContact O-OG1 2.96Å; T267-L278 HydrophobicContact CG2-CD1 4.22Å
268	R	79	Confident	91.1	Very high	235 Å²	235	46.5 Å²	46.5	89%	0.887	23%	0.231	S	C	*	.			trans	-91.7	-11.7	178.5	-64	-174.4	-178.7	178.6	0.2	114	T266	T266-R268 PolarHBondContact O-N 3.46Å; T266-R268 VanDerWaalsContact O-N 3.15Å
269	D	82.8	Confident	91.1	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	23%	0.231	S	C	.	.			trans	-91.5	152.8	-179.9	69.9	32	0	0	0	112.3	K271 S274	D269-K271 VanDerWaalsContact C-N 3.27Å; D269-K271 HydrophobicContact CB-CD 4.45Å; D269-K271 HydrophobicContact CB-CG 4.07Å; D269-K271 PolarHBondContact OD1-N 3.42Å; D269-K271 VanDerWaalsContact OD2-CD 3.27Å; D269-K271 WeakPolarHBondContact OD2-CD 3.46Å; D269-K271 VanDerWaalsContact OD2-CE 3.25Å; D269-K271 WeakPolarHBondContact OD2-CE 3.12Å; D269-K271 IonicContact OD2-NZ 2.63Å; D269-K271 PolarHBondContact OD2-NZ 2.95Å; D269-S274 WeakPolarHBondContact OD1-CB 3.26Å; D269-S274 PolarHBondContact OD1-OG 3.29Å
270	T	83.1	Confident	91.2	Very high	103 Å²	103	48 Å²	48	63%	0.632	24%	0.238	S	C	*	.			trans	-96.6	24.4	175.4	55.5	0	0	0	0	111.2
271	K	86.9	Confident	91.2	Very high	129 Å²	129	47.5 Å²	47.5	56%	0.561	24%	0.236	S	C	*	.			trans	-65.5	147.8	-177.9	-69	-179.3	-167.1	141.6	0	110.6	D269 T273 S274 Q275	D269-K271 VanDerWaalsContact C-N 3.27Å; D269-K271 HydrophobicContact CB-CD 4.45Å; D269-K271 HydrophobicContact CB-CG 4.07Å; D269-K271 PolarHBondContact OD1-N 3.42Å; D269-K271 VanDerWaalsContact OD2-CD 3.27Å; D269-K271 WeakPolarHBondContact OD2-CD 3.46Å; D269-K271 VanDerWaalsContact OD2-CE 3.25Å; D269-K271 WeakPolarHBondContact OD2-CE 3.12Å; D269-K271 IonicContact OD2-NZ 2.63Å; D269-K271 PolarHBondContact OD2-NZ 2.95Å; K271-T273 PolarHBondContact O-N 3.41Å; K271-S274 WeakPolarHBondContact O-CB 3.09Å; K271-S274 PolarHBondContact O-N 3.33Å; K271-Q275 WeakPolarHBondContact O-CG 3.2Å; K271-Q275 PolarHBondContact O-N 2.91Å
272	F	88.3	Confident	91.4	Very high	12 Å²	12	46.3 Å²	46.3	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-51.7	-52.2	-179	179.3	-105.2	0	0	0	112.9	S274 Q275 L276 A331 L332 H335 F352 L369	F272-S274 PolarHBondContact O-N 3.43Å; F272-Q275 PolarHBondContact O-N 2.88Å; F272-L276 HydrophobicContact CD1-CD1 4.05Å; F272-L276 HydrophobicContact CD1-CG 4.47Å; F272-L276 HydrophobicContact CE1-CD1 3.4Å; F272-L276 HydrophobicContact CE1-CG 4.12Å; F272-L276 HydrophobicContact CE2-CD1 4.33Å; F272-L276 HydrophobicContact CE2-CD2 4.35Å; F272-L276 HydrophobicContact CE2-CG 4.33Å; F272-L276 HydrophobicContact CZ-CD1 3.57Å; F272-L276 HydrophobicContact CZ-CD2 4.25Å; F272-L276 HydrophobicContact CZ-CG 4.05Å; F272-L276 WeakPolarHBondContact O-CG 3.11Å; F272-L276 PolarHBondContact O-N 3Å; F272-A331 HydrophobicContact CD2-CB 3.88Å; F272-A331 WeakPolarHBondContact CD2-O 3.32Å; F272-A331 HydrophobicContact CE2-CB 4.05Å; F272-L332 HydrophobicContact CE2-CD2 4.49Å; F272-H335 HydrophobicContact CD2-CB 3.94Å; F272-H335 AromaticContact CG-ND1 3.89Å; F272-F352 HydrophobicContact CE1-CB 4.16Å; F272-F352 HydrophobicContact CZ-CB 4.08Å; F272-F352 AromaticContact CZ-CD2 3.78Å; F272-F352 HydrophobicContact CZ-CD2 3.78Å; F272-F352 HydrophobicContact CZ-CE2 4.46Å; F272-F352 HydrophobicContact CZ-CG 4.05Å; F272-L369 HydrophobicContact CE1-CD1 4.44Å; F272-L369 HydrophobicContact CE1-CD2 4.47Å; F272-L369 HydrophobicContact CE2-CD2 3.88Å; F272-L369 HydrophobicContact CZ-CD1 4.23Å; F272-L369 HydrophobicContact CZ-CD2 3.58Å
273	T	89.3	Confident	91.6	Very high	54 Å²	54	44.5 Å²	44.5	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-40.3	-178.7	49.8	0	0	0	0	112.9	K271 L276 Q277	K271-T273 PolarHBondContact O-N 3.41Å; T273-L276 PolarHBondContact O-N 3.26Å; T273-Q277 WeakPolarHBondContact O-CB 3.21Å; T273-Q277 PolarHBondContact O-N 3.23Å
274	S	91.2	Very high	91.8	Very high	17 Å²	17	46.1 Å²	46.1	12%	0.119	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-42	175.7	-56.6	0	0	0	0	112.4	D269 K271 F272 Q277 L278	D269-S274 WeakPolarHBondContact OD1-CB 3.26Å; D269-S274 PolarHBondContact OD1-OG 3.29Å; K271-S274 WeakPolarHBondContact O-CB 3.09Å; K271-S274 PolarHBondContact O-N 3.33Å; F272-S274 PolarHBondContact O-N 3.43Å; S274-Q277 WeakPolarHBondContact O-CB 3.42Å; S274-Q277 PolarHBondContact O-N 2.98Å; S274-L278 WeakPolarHBondContact O-CG 3.33Å; S274-L278 PolarHBondContact O-N 2.84Å
275	Q	93.2	Very high	92	Very high	18 Å²	18	44 Å²	44	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-69.4	-39.5	177.5	-66	-67.3	-39.9	0	0	111.8	K271 F272 Q277 L278 A279 Y327 A331	K271-Q275 WeakPolarHBondContact O-CG 3.2Å; K271-Q275 PolarHBondContact O-N 2.91Å; F272-Q275 PolarHBondContact O-N 2.88Å; Q275-Q277 VanDerWaalsContact C-N 3.32Å; Q275-Q277 PolarHBondContact O-N 3.43Å; Q275-L278 PolarHBondContact O-N 2.77Å; Q275-A279 PolarHBondContact O-N 3.41Å; Q275-Y327 VanDerWaalsContact OE1-CD1 3.26Å; Q275-A331 HydrophobicContact CB-CB 3.55Å
276	L	93.4	Very high	92.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-42.4	171	-68.9	-171.6	0	0	0	111.5	F272 T273 L278 A279 Q280 A331 A351 F352 F355	F272-L276 HydrophobicContact CD1-CD1 4.05Å; F272-L276 HydrophobicContact CD1-CG 4.47Å; F272-L276 HydrophobicContact CE1-CD1 3.4Å; F272-L276 HydrophobicContact CE1-CG 4.12Å; F272-L276 HydrophobicContact CE2-CD1 4.33Å; F272-L276 HydrophobicContact CE2-CD2 4.35Å; F272-L276 HydrophobicContact CE2-CG 4.33Å; F272-L276 HydrophobicContact CZ-CD1 3.57Å; F272-L276 HydrophobicContact CZ-CD2 4.25Å; F272-L276 HydrophobicContact CZ-CG 4.05Å; F272-L276 WeakPolarHBondContact O-CG 3.11Å; F272-L276 PolarHBondContact O-N 3Å; T273-L276 PolarHBondContact O-N 3.26Å; L276-L278 PolarHBondContact O-N 2.79Å; L276-A279 WeakPolarHBondContact O-CB 3.1Å; L276-A279 PolarHBondContact O-N 3.05Å; L276-Q280 WeakPolarHBondContact O-CG 3.37Å; L276-Q280 PolarHBondContact O-N 3.06Å; L276-A331 HydrophobicContact CD2-CB 3.8Å; L276-A331 HydrophobicContact CG-CB 4.21Å; L276-A351 HydrophobicContact CD1-CB 4.33Å; L276-F352 HydrophobicContact CD1-CB 4.34Å; L276-F352 HydrophobicContact CD1-CD2 4.21Å; L276-F352 HydrophobicContact CD2-CD2 4.39Å; L276-F355 HydrophobicContact CB-CD2 4.16Å; L276-F355 HydrophobicContact CB-CE2 4.11Å; L276-F355 HydrophobicContact CD1-CD2 4.48Å; L276-F355 HydrophobicContact CD2-CD1 4.15Å; L276-F355 HydrophobicContact CD2-CD2 3.88Å; L276-F355 HydrophobicContact CD2-CE1 4.02Å; L276-F355 HydrophobicContact CD2-CE2 3.73Å; L276-F355 HydrophobicContact CD2-CG 4.09Å; L276-F355 HydrophobicContact CD2-CZ 3.8Å; L276-F355 HydrophobicContact CG-CD2 4.4Å; L276-F355 HydrophobicContact CG-CE2 4.45Å
277	Q	93.9	Very high	92.7	Very high	41 Å²	41	40.5 Å²	40.5	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176.5	-175.8	-167.5	-36.1	0	0	111.5	T273 S274 Q275 A279 Q280 E281 Q447	T273-Q277 WeakPolarHBondContact O-CB 3.21Å; T273-Q277 PolarHBondContact O-N 3.23Å; S274-Q277 WeakPolarHBondContact O-CB 3.42Å; S274-Q277 PolarHBondContact O-N 2.98Å; Q275-Q277 VanDerWaalsContact C-N 3.32Å; Q275-Q277 PolarHBondContact O-N 3.43Å; Q277-A279 VanDerWaalsContact C-N 3.25Å; Q277-A279 PolarHBondContact O-N 3.23Å; Q277-Q280 PolarHBondContact O-N 3.47Å; Q277-Q280 VanDerWaalsContact O-N 3.16Å; Q277-E281 HydrophobicContact CG-CG 4.47Å; Q277-E281 WeakPolarHBondContact O-CG 3.45Å; Q277-E281 PolarHBondContact O-N 3.25Å; Q277-Q447 VanDerWaalsContact CD-CD 3.45Å
278	L	95.6	Very high	93.1	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-40	175.6	-73.3	170.8	0	0	0	111.8	F260 I263 T267 S274 Q275 L276 A282 Y327	F260-L278 HydrophobicContact CE2-CD2 4.34Å; I263-L278 HydrophobicContact CB-CD2 4.49Å; I263-L278 HydrophobicContact CG2-CD2 3.78Å; T267-L278 HydrophobicContact CG2-CD1 4.22Å; S274-L278 WeakPolarHBondContact O-CG 3.33Å; S274-L278 PolarHBondContact O-N 2.84Å; Q275-L278 PolarHBondContact O-N 2.77Å; L276-L278 PolarHBondContact O-N 2.79Å; L278-A282 WeakPolarHBondContact O-CB 3.44Å; L278-A282 PolarHBondContact O-N 2.89Å; L278-Y327 HydrophobicContact CB-CD1 4.11Å; L278-Y327 HydrophobicContact CB-CD2 4.03Å; L278-Y327 HydrophobicContact CB-CE1 4.47Å; L278-Y327 HydrophobicContact CB-CE2 4.43Å; L278-Y327 HydrophobicContact CB-CG 3.87Å; L278-Y327 HydrophobicContact CD1-CD1 4.08Å; L278-Y327 HydrophobicContact CD1-CE1 3.93Å
279	A	97	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-43.7	175.9	0	0	0	0	0	112.4	Q275 L276 Q277 A283 S324 A328 F355	Q275-A279 PolarHBondContact O-N 3.41Å; L276-A279 WeakPolarHBondContact O-CB 3.1Å; L276-A279 PolarHBondContact O-N 3.05Å; Q277-A279 VanDerWaalsContact C-N 3.25Å; Q277-A279 PolarHBondContact O-N 3.23Å; A279-A283 WeakPolarHBondContact O-CB 3.18Å; A279-A283 PolarHBondContact O-N 3.43Å; A279-S324 WeakPolarHBondContact CB-O 3.44Å; A279-S324 WeakPolarHBondContact O-CB 3.44Å; A279-A328 HydrophobicContact CB-CB 4.24Å; A279-F355 HydrophobicContact CB-CE2 3.81Å; A279-F355 HydrophobicContact CB-CZ 3.68Å
280	Q	97.1	Very high	94.8	Very high	32 Å²	32	28.4 Å²	28.4	15%	0.15	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-38.4	178.8	-65.6	-175.4	-60	0	0	112.9	L276 Q277 A283 Q284 F355 I442 Q443 H445	L276-Q280 WeakPolarHBondContact O-CG 3.37Å; L276-Q280 PolarHBondContact O-N 3.06Å; Q277-Q280 PolarHBondContact O-N 3.47Å; Q277-Q280 VanDerWaalsContact O-N 3.16Å; Q280-A283 PolarHBondContact O-N 3.36Å; Q280-Q284 PolarHBondContact O-N 3.32Å; Q280-F355 HydrophobicContact CG-CD2 3.73Å; Q280-F355 HydrophobicContact CG-CE2 3.67Å; Q280-I442 HydrophobicContact CG-CG2 4.44Å; Q280-Q443 WeakPolarHBondContact CG-O 3.41Å; Q280-Q443 PolarHBondContact NE2-O 2.83Å; Q280-H445 CarbonylContact C-O 3.6Å; Q280-H445 VanDerWaalsContact C-O 3.32Å; Q280-H445 HydrophobicContact CB-CB 3.97Å; Q280-H445 HydrophobicContact CG-CB 4.45Å; Q280-H445 PolarHBondContact O-N 3.01Å
281	E	97.1	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-44.8	175.9	-70.8	-71.9	178.7	0	0	111	Q256 F260 I263 Q277 A283 Q284 V285 H445 T446 Q447	Q256-E281 PolarHBondContact NE2-OE2 3.2Å; F260-E281 HydrophobicContact CD2-CB 3.89Å; I263-E281 HydrophobicContact CD1-CG 3.69Å; I263-E281 WeakPolarHBondContact CD1-OE1 3.45Å; Q277-E281 HydrophobicContact CG-CG 4.47Å; Q277-E281 WeakPolarHBondContact O-CG 3.45Å; Q277-E281 PolarHBondContact O-N 3.25Å; E281-A283 VanDerWaalsContact C-N 3.32Å; E281-A283 PolarHBondContact O-N 3.43Å; E281-Q284 WeakPolarHBondContact O-CB 3.5Å; E281-Q284 PolarHBondContact O-N 3.48Å; E281-Q284 VanDerWaalsContact O-N 3.13Å; E281-V285 WeakPolarHBondContact O-CG2 3.34Å; E281-V285 PolarHBondContact O-N 3.4Å; E281-H445 PolarHBondContact N-O 3.06Å; E281-T446 VanDerWaalsContact OE1-CA 3.29Å; E281-T446 WeakPolarHBondContact OE1-CA 3.41Å; E281-T446 WeakPolarHBondContact OE2-CA 3.11Å; E281-T446 WeakPolarHBondContact OE2-CB 3.36Å; E281-T446 PolarHBondContact OE2-OG1 2.99Å; E281-Q447 PolarHBondContact OE1-N 3.47Å
282	A	98	Very high	96	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-39.4	174.5	0	0	0	0	0	111.9	F260 L278 Q284 V285 S286 L323	F260-A282 HydrophobicContact CD2-CB 4.11Å; F260-A282 HydrophobicContact CE2-CB 3.75Å; F260-A282 HydrophobicContact CZ-CB 4.3Å; L278-A282 WeakPolarHBondContact O-CB 3.44Å; L278-A282 PolarHBondContact O-N 2.89Å; A282-Q284 VanDerWaalsContact C-N 3.33Å; A282-Q284 PolarHBondContact O-N 3.25Å; A282-V285 PolarHBondContact O-N 3.4Å; A282-S286 PolarHBondContact O-N 3.01Å; A282-L323 HydrophobicContact CB-CB 4.17Å
283	A	98.3	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-41.2	173.1	0	0	0	0	0	111.4	A279 Q280 E281 V285 S286 D287 I442 A444	A279-A283 WeakPolarHBondContact O-CB 3.18Å; A279-A283 PolarHBondContact O-N 3.43Å; Q280-A283 PolarHBondContact O-N 3.36Å; E281-A283 VanDerWaalsContact C-N 3.32Å; E281-A283 PolarHBondContact O-N 3.43Å; A283-V285 PolarHBondContact O-N 3.17Å; A283-S286 WeakPolarHBondContact O-CB 3.46Å; A283-S286 PolarHBondContact O-N 3.17Å; A283-D287 VanDerWaalsContact O-CG 3.31Å; A283-D287 PolarHBondContact O-N 3.27Å; A283-I442 HydrophobicContact CB-CG2 4.18Å; A283-A444 HydrophobicContact CB-CB 4.16Å
284	Q	97.9	Very high	96.8	Very high	45 Å²	45	24.9 Å²	24.9	21%	0.21	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-41.5	175.2	-175.9	66.7	46.4	0	0	112.2	Q256 Q280 E281 A282 D287 V288 A444 T446	Q256-Q284 HydrophobicContact CG-CG 3.98Å; Q280-Q284 PolarHBondContact O-N 3.32Å; E281-Q284 WeakPolarHBondContact O-CB 3.5Å; E281-Q284 PolarHBondContact O-N 3.48Å; E281-Q284 VanDerWaalsContact O-N 3.13Å; A282-Q284 VanDerWaalsContact C-N 3.33Å; A282-Q284 PolarHBondContact O-N 3.25Å; Q284-D287 PolarHBondContact O-N 3.02Å; Q284-V288 WeakPolarHBondContact O-CG2 3.35Å; Q284-V288 PolarHBondContact O-N 2.96Å; Q284-V288 VanDerWaalsContact O-N 3.11Å; Q284-A444 HydrophobicContact CB-CB 4.21Å; Q284-T446 HydrophobicContact CG-CG2 4.05Å
285	V	98.3	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-45.3	175.5	-179.8	0	0	0	0	110.9	Q256 E257 F260 E281 A282 A283 D287 V288 Y289 F320	Q256-V285 HydrophobicContact CG-CG2 3.83Å; Q256-V285 WeakPolarHBondContact O-CG2 3.38Å; E257-V285 HydrophobicContact CB-CG1 4.14Å; F260-V285 HydrophobicContact CB-CG2 3.71Å; F260-V285 HydrophobicContact CG-CG2 4.28Å; E281-V285 WeakPolarHBondContact O-CG2 3.34Å; E281-V285 PolarHBondContact O-N 3.4Å; A282-V285 PolarHBondContact O-N 3.4Å; A283-V285 PolarHBondContact O-N 3.17Å; V285-D287 PolarHBondContact O-N 3.46Å; V285-V288 WeakPolarHBondContact O-CG2 3.23Å; V285-V288 PolarHBondContact O-N 3.45Å; V285-Y289 HydrophobicContact CG1-CD2 3.67Å; V285-Y289 HydrophobicContact CG1-CE2 3.63Å; V285-Y289 VanDerWaalsContact O-CD2 3.31Å; V285-Y289 WeakPolarHBondContact O-CD2 3.35Å; V285-Y289 PolarHBondContact O-N 2.93Å; V285-Y289 VanDerWaalsContact O-N 3.14Å; V285-F320 HydrophobicContact CB-CB 4.06Å; V285-F320 HydrophobicContact CB-CD1 4.14Å; V285-F320 HydrophobicContact CB-CD2 4.26Å; V285-F320 HydrophobicContact CB-CG 3.9Å; V285-F320 HydrophobicContact CG1-CB 4Å; V285-F320 HydrophobicContact CG1-CD1 3.88Å; V285-F320 HydrophobicContact CG1-CD2 3.3Å; V285-F320 HydrophobicContact CG1-CE1 4.21Å; V285-F320 HydrophobicContact CG1-CE2 3.69Å; V285-F320 HydrophobicContact CG1-CG 3.44Å; V285-F320 VanDerWaalsContact CG1-CG 3.44Å; V285-F320 HydrophobicContact CG1-CZ 4.14Å
286	S	98.6	Very high	97.2	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.035	13%	0.125	C	C	.	.	H	α-helix	trans	-55.9	-49.7	174.7	163.6	0	0	0	0	111.7	A282 A283 V288 Y289 S290 S317	A282-S286 PolarHBondContact O-N 3.01Å; A283-S286 WeakPolarHBondContact O-CB 3.46Å; A283-S286 PolarHBondContact O-N 3.17Å; S286-V288 PolarHBondContact O-N 2.96Å; S286-Y289 PolarHBondContact O-N 2.98Å; S286-S290 WeakPolarHBondContact O-CB 3.48Å; S286-S290 PolarHBondContact O-N 3.4Å; S286-S290 PolarHBondContact O-OG 3.38Å; S286-S317 WeakPolarHBondContact CB-O 3.42Å; S286-S317 PolarHBondContact O-OG 3.03Å; S286-S317 PolarHBondContact OG-O 3.19Å
287	D	98	Very high	97.2	Very high	68 Å²	68	26.8 Å²	26.8	36%	0.364	14%	0.141	S	C	.	.	H	α-helix	trans	-64.7	-40.8	-174.9	-70.4	-1.1	0	0	0	112.4	A283 Q284 V285 S290 L291 A444	A283-D287 VanDerWaalsContact O-CG 3.31Å; A283-D287 PolarHBondContact O-N 3.27Å; Q284-D287 PolarHBondContact O-N 3.02Å; V285-D287 PolarHBondContact O-N 3.46Å; D287-S290 WeakPolarHBondContact O-CB 3.46Å; D287-S290 PolarHBondContact O-N 3.06Å; D287-L291 PolarHBondContact O-N 3.42Å; D287-L291 VanDerWaalsContact O-N 3.09Å; D287-A444 WeakPolarHBondContact OD2-CB 3.33Å
288	V	97.9	Very high	97.1	Very high	24 Å²	24	29 Å²	29	15%	0.145	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-38.3	177.1	-62.4	0	0	0	0	111.7	A253 Q256 Q284 V285 S286 L291 V292	A253-V288 HydrophobicContact CB-CB 4.17Å; A253-V288 HydrophobicContact CB-CG2 3.74Å; Q256-V288 HydrophobicContact CB-CG2 4.09Å; Q256-V288 HydrophobicContact CG-CG2 4.2Å; Q284-V288 WeakPolarHBondContact O-CG2 3.35Å; Q284-V288 PolarHBondContact O-N 2.96Å; Q284-V288 VanDerWaalsContact O-N 3.11Å; V285-V288 WeakPolarHBondContact O-CG2 3.23Å; V285-V288 PolarHBondContact O-N 3.45Å; S286-V288 PolarHBondContact O-N 2.96Å; V288-L291 PolarHBondContact O-N 3.41Å; V288-V292 WeakPolarHBondContact O-CG2 3.49Å; V288-V292 PolarHBondContact O-N 3.17Å; V288-V292 VanDerWaalsContact O-N 3.12Å
289	Y	98.6	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.8	-39	174.6	-82.4	-56.4	0	0	0	112.9	L250 A253 Q254 E257 V285 S286 L291 V292 H293 V313 K316 F320	L250-Y289 HydrophobicContact CD1-CE1 4.29Å; A253-Y289 HydrophobicContact CB-CD1 3.6Å; A253-Y289 HydrophobicContact CB-CD2 4.46Å; A253-Y289 HydrophobicContact CB-CE1 3.47Å; A253-Y289 VanDerWaalsContact CB-CE1 3.47Å; A253-Y289 HydrophobicContact CB-CE2 4.35Å; A253-Y289 HydrophobicContact CB-CG 4.1Å; Q254-Y289 WeakPolarHBondContact CA-OH 3.13Å; Q254-Y289 VanDerWaalsContact CG-OH 3.32Å; Q254-Y289 WeakPolarHBondContact CG-OH 3.21Å; Q254-Y289 PolarHBondContact N-OH 2.88Å; E257-Y289 HydrophobicContact CB-CE2 4.24Å; E257-Y289 VanDerWaalsContact OE2-CE2 3.28Å; E257-Y289 WeakPolarHBondContact OE2-CE2 3.36Å; E257-Y289 PolarHBondContact OE2-OH 3.28Å; V285-Y289 HydrophobicContact CG1-CD2 3.67Å; V285-Y289 HydrophobicContact CG1-CE2 3.63Å; V285-Y289 VanDerWaalsContact O-CD2 3.31Å; V285-Y289 WeakPolarHBondContact O-CD2 3.35Å; V285-Y289 PolarHBondContact O-N 2.93Å; V285-Y289 VanDerWaalsContact O-N 3.14Å; S286-Y289 PolarHBondContact O-N 2.98Å; Y289-L291 PolarHBondContact O-N 2.91Å; Y289-V292 WeakPolarHBondContact O-CB 3.47Å; Y289-V292 PolarHBondContact O-N 3.17Å; Y289-V292 VanDerWaalsContact O-N 3.08Å; Y289-H293 PolarHBondContact O-N 2.91Å; Y289-V313 HydrophobicContact CD1-CG1 3.97Å; Y289-V313 HydrophobicContact CD1-CG2 4.39Å; Y289-V313 WeakPolarHBondContact O-CG1 3.29Å; Y289-K316 HydrophobicContact CD2-CB 3.86Å; Y289-K316 HydrophobicContact CD2-CD 4.45Å; Y289-K316 HydrophobicContact CE1-CD 3.94Å; Y289-K316 HydrophobicContact CE2-CB 4.03Å; Y289-K316 HydrophobicContact CE2-CD 3.83Å; Y289-K316 HydrophobicContact CE2-CG 4.5Å; Y289-K316 HydrophobicContact CG-CB 4.13Å; Y289-F320 HydrophobicContact CD2-CD2 4.38Å; Y289-F320 HydrophobicContact CE2-CD2 4.41Å; Y289-F320 HydrophobicContact CE2-CE2 4.29Å
290	S	98.3	Very high	96.2	Very high	40 Å²	40	40 Å²	40	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-53.5	-43	170.9	-86.9	0	0	0	0	111.7	S286 D287 H293 Q294 S317	S286-S290 WeakPolarHBondContact O-CB 3.48Å; S286-S290 PolarHBondContact O-N 3.4Å; S286-S290 PolarHBondContact O-OG 3.38Å; D287-S290 WeakPolarHBondContact O-CB 3.46Å; D287-S290 PolarHBondContact O-N 3.06Å; S290-H293 PolarHBondContact O-N 3.41Å; S290-Q294 VanDerWaalsContact O-CG 3.31Å; S290-Q294 WeakPolarHBondContact O-CG 3.42Å; S290-Q294 PolarHBondContact O-N 2.87Å; S290-S317 PolarHBondContact OG-OG 2.82Å
291	L	97.6	Very high	95.8	Very high	66 Å²	66	38.5 Å²	38.5	35%	0.346	21%	0.209	S	C	.	.	H	α-helix	trans	-70.3	-33.1	178.1	-170.1	57.8	0	0	0	113.1	D287 V288 Y289 T295	D287-L291 PolarHBondContact O-N 3.42Å; D287-L291 VanDerWaalsContact O-N 3.09Å; V288-L291 PolarHBondContact O-N 3.41Å; Y289-L291 PolarHBondContact O-N 2.91Å; L291-T295 PolarHBondContact O-N 2.92Å; L291-T295 VanDerWaalsContact O-N 3.14Å; L291-T295 PolarHBondContact O-OG1 3.05Å
292	V	98.2	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-46.7	171	176.5	0	0	0	0	110.2	R249 L250 A253 V288 Y289 Q294 T295 M296 V313	R249-V292 HydrophobicContact CB-CG2 4.1Å; R249-V292 HydrophobicContact CG-CG2 3.94Å; R249-V292 WeakPolarHBondContact O-CG2 3.33Å; L250-V292 HydrophobicContact CB-CG1 4.06Å; L250-V292 HydrophobicContact CD1-CG1 4.01Å; A253-V292 HydrophobicContact CB-CG2 4.05Å; V288-V292 WeakPolarHBondContact O-CG2 3.49Å; V288-V292 PolarHBondContact O-N 3.17Å; V288-V292 VanDerWaalsContact O-N 3.12Å; Y289-V292 WeakPolarHBondContact O-CB 3.47Å; Y289-V292 PolarHBondContact O-N 3.17Å; Y289-V292 VanDerWaalsContact O-N 3.08Å; V292-Q294 VanDerWaalsContact C-N 3.34Å; V292-Q294 PolarHBondContact O-N 2.97Å; V292-T295 WeakPolarHBondContact O-CA 3.2Å; V292-T295 WeakPolarHBondContact O-CB 3.46Å; V292-T295 PolarHBondContact O-N 3.31Å; V292-M296 HydrophobicContact CG1-CE 3.76Å; V292-M296 HydrophobicContact CG1-CG 4.4Å; V292-M296 HydrophobicContact CG1-SD 4.11Å; V292-M296 WeakPolarHBondContact O-CG 3.44Å; V292-M296 PolarHBondContact O-N 2.92Å; V292-V313 HydrophobicContact CB-CG1 3.92Å; V292-V313 HydrophobicContact CG1-CG1 3.94Å; V292-V313 HydrophobicContact CG1-CG2 4.04Å
293	H	98	Very high	94.8	Very high	44 Å²	44	52.2 Å²	52.2	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-43.6	177.4	-177	-107.8	0	0	0	112	Y289 S290 T295 M296 T297 V313	Y289-H293 PolarHBondContact O-N 2.91Å; S290-H293 PolarHBondContact O-N 3.41Å; H293-T295 PolarHBondContact O-N 3.47Å; H293-M296 PolarHBondContact O-N 3.34Å; H293-T297 WeakPolarHBondContact O-CB 3.34Å; H293-T297 WeakPolarHBondContact O-CG2 3.39Å; H293-T297 PolarHBondContact O-N 3.04Å; H293-T297 PolarHBondContact O-OG1 3.03Å; H293-V313 HydrophobicContact CB-CG1 3.84Å
294	Q	96.6	Very high	94.2	Very high	115 Å²	115	53 Å²	53	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-58.5	-35.8	173.8	-73.1	171.7	17.7	0	0	112.3	S290 V292 T297 Q298	S290-Q294 VanDerWaalsContact O-CG 3.31Å; S290-Q294 WeakPolarHBondContact O-CG 3.42Å; S290-Q294 PolarHBondContact O-N 2.87Å; V292-Q294 VanDerWaalsContact C-N 3.34Å; V292-Q294 PolarHBondContact O-N 2.97Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.5Å; Q294-T297 PolarHBondContact O-OG1 3.47Å; Q294-Q298 WeakPolarHBondContact O-CG 3.33Å
295	T	95.9	Very high	93.9	Very high	17 Å²	17	51.3 Å²	51.3	10%	0.104	27%	0.271	C	S	.	.	H	α-helix	trans	-72.9	-41.3	177.3	-50.3	0	0	0	0	111.3	M246 L291 V292 H293 T297 Q298	M246-T295 HydrophobicContact CB-CG2 3.65Å; M246-T295 HydrophobicContact CG-CG2 3.95Å; L291-T295 PolarHBondContact O-N 2.92Å; L291-T295 VanDerWaalsContact O-N 3.14Å; L291-T295 PolarHBondContact O-OG1 3.05Å; V292-T295 WeakPolarHBondContact O-CA 3.2Å; V292-T295 WeakPolarHBondContact O-CB 3.46Å; V292-T295 PolarHBondContact O-N 3.31Å; H293-T295 PolarHBondContact O-N 3.47Å; T295-T297 VanDerWaalsContact C-N 3.31Å; T295-T297 PolarHBondContact O-N 3.39Å; T295-Q298 PolarHBondContact O-N 3.24Å
296	M	95.8	Very high	93.5	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-29.4	178.3	-69.5	179.6	168.9	0	0	112.9	M246 L250 V292 H293 M301 K302 V305 W309 A310 V313	M246-M296 HydrophobicContact CG-CE 4.47Å; M246-M296 HydrophobicContact CG-CG 3.92Å; M246-M296 HydrophobicContact SD-CE 3.52Å; M246-M296 VanDerWaalsContact SD-CE 3.52Å; M246-M296 HydrophobicContact SD-CG 4.08Å; L250-M296 HydrophobicContact CD1-CE 4.47Å; L250-M296 HydrophobicContact CD2-CE 4.1Å; V292-M296 HydrophobicContact CG1-CE 3.76Å; V292-M296 HydrophobicContact CG1-CG 4.4Å; V292-M296 HydrophobicContact CG1-SD 4.11Å; V292-M296 WeakPolarHBondContact O-CG 3.44Å; V292-M296 PolarHBondContact O-N 2.92Å; H293-M296 PolarHBondContact O-N 3.34Å; M296-M301 CarbonylContact O-C 3.32Å; M296-M301 VanDerWaalsContact O-C 3.29Å; M296-K302 VanDerWaalsContact O-CA 3.24Å; M296-K302 WeakPolarHBondContact O-CA 3.26Å; M296-K302 PolarHBondContact O-N 3.17Å; M296-K302 VanDerWaalsContact O-N 3.12Å; M296-V305 HydrophobicContact CE-CG1 4.15Å; M296-V305 HydrophobicContact CG-CG1 4.11Å; M296-V305 HydrophobicContact CG-CG2 4.35Å; M296-V305 HydrophobicContact SD-CG1 3.98Å; M296-W309 HydrophobicContact CE-CB 4.43Å; M296-W309 HydrophobicContact CE-CE3 4.45Å; M296-A310 HydrophobicContact SD-CB 4.41Å; M296-V313 HydrophobicContact CE-CG2 4.08Å; M296-V313 HydrophobicContact SD-CB 4.48Å; M296-V313 HydrophobicContact SD-CG2 4.04Å
297	T	93.5	Very high	93	Very high	59 Å²	59	57.2 Å²	57.2	36%	0.362	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.1	-178.4	50.3	0	0	0	0	114.4	H293 Q294 T295	H293-T297 WeakPolarHBondContact O-CB 3.34Å; H293-T297 WeakPolarHBondContact O-CG2 3.39Å; H293-T297 PolarHBondContact O-N 3.04Å; H293-T297 PolarHBondContact O-OG1 3.03Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.5Å; Q294-T297 PolarHBondContact O-OG1 3.47Å; T295-T297 VanDerWaalsContact C-N 3.31Å; T295-T297 PolarHBondContact O-N 3.39Å
298	Q	92.4	Very high	92.7	Very high	88 Å²	88	54 Å²	54	41%	0.411	28%	0.28	S	S	.	.	S	Bend	trans	-61.3	147.3	173.5	-66.1	-176	-1.9	0	0	111	Q294 T295 L300 M301 K302	Q294-Q298 WeakPolarHBondContact O-CG 3.33Å; T295-Q298 PolarHBondContact O-N 3.24Å; Q298-L300 VanDerWaalsContact C-N 3.28Å; Q298-L300 PolarHBondContact O-N 3.42Å; Q298-M301 PolarHBondContact O-N 2.83Å; Q298-K302 WeakPolarHBondContact O-CB 3.2Å; Q298-K302 PolarHBondContact O-N 2.81Å
299	P	87.9	Confident	92.6	Very high	117 Å²	117	53.1 Å²	53.1	76%	0.76	27%	0.274	S	S	*	.	H	α-helix	trans	-52.6	-37.2	-171.1	-29.7	35.1	0	0	0	115.7
300	L	85.8	Confident	92.4	Very high	119 Å²	119	54 Å²	54	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-77.7	-23.8	178.5	-67	175.7	0	0	0	113.7	L242 Q298	L242-L300 HydrophobicContact CD1-CD1 3.87Å; Q298-L300 VanDerWaalsContact C-N 3.28Å; Q298-L300 PolarHBondContact O-N 3.42Å
301	M	89.8	Confident	92.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-97.7	-29.2	-176.3	-64.4	-66.5	85	0	0	112.5	L237 L242 S243 M296 Q298 D303 Y304 V305	L237-M301 HydrophobicContact CD1-CE 3.99Å; L237-M301 HydrophobicContact CD2-CE 4.07Å; L237-M301 HydrophobicContact CG-CE 4.03Å; L242-M301 HydrophobicContact CB-SD 4.41Å; S243-M301 PolarHBondContact OG-SD 3.3Å; S243-M301 VanDerWaalsContact OG-SD 3.4Å; M296-M301 CarbonylContact O-C 3.32Å; M296-M301 VanDerWaalsContact O-C 3.29Å; Q298-M301 PolarHBondContact O-N 2.83Å; M301-D303 VanDerWaalsContact C-N 3.32Å; M301-D303 PolarHBondContact O-N 3.27Å; M301-Y304 HydrophobicContact CE-CD1 3.79Å; M301-Y304 HydrophobicContact CE-CG 4.37Å; M301-Y304 PolarHBondContact O-N 3.43Å; M301-Y304 HydrophobicContact SD-CD1 4.24Å; M301-V305 HydrophobicContact CB-CG2 4.33Å; M301-V305 WeakPolarHBondContact O-CG2 3.22Å; M301-V305 PolarHBondContact O-N 3.31Å
302	K	87.9	Confident	92.3	Very high	139 Å²	139	49.1 Å²	49.1	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-57.2	-43.7	-174.6	-175.7	-179.5	176.3	-176.7	0	113	M296 Q298 Y304	M296-K302 VanDerWaalsContact O-CA 3.24Å; M296-K302 WeakPolarHBondContact O-CA 3.26Å; M296-K302 PolarHBondContact O-N 3.17Å; M296-K302 VanDerWaalsContact O-N 3.12Å; Q298-K302 WeakPolarHBondContact O-CB 3.2Å; Q298-K302 PolarHBondContact O-N 2.81Å; K302-Y304 VanDerWaalsContact C-N 3.28Å
303	D	84.6	Confident	92.3	Very high	148 Å²	148	49.1 Å²	49.1	79%	0.791	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.8	-179.4	-57.5	-26.4	0	0	0	112.4	M301	M301-D303 VanDerWaalsContact C-N 3.32Å; M301-D303 PolarHBondContact O-N 3.27Å
304	Y	87.1	Confident	92.3	Very high	18 Å²	18	49.5 Å²	49.5	7%	0.071	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-38.4	-174.9	178	-114	0	0	0	112.9	D168 L170 T171 L237 D238 M301 K302	D168-Y304 PolarHBondContact OD1-OH 2.93Å; D168-Y304 PolarHBondContact OD2-OH 2.85Å; L170-Y304 HydrophobicContact CB-CE1 4.47Å; L170-Y304 HydrophobicContact CB-CE2 4.35Å; L170-Y304 HydrophobicContact CD1-CD1 4.19Å; L170-Y304 HydrophobicContact CD1-CE1 3.53Å; L170-Y304 HydrophobicContact CG-CE1 4.47Å; T171-Y304 HydrophobicContact CG2-CD2 3.42Å; T171-Y304 VanDerWaalsContact CG2-CD2 3.42Å; T171-Y304 HydrophobicContact CG2-CE2 3.36Å; L237-Y304 HydrophobicContact CB-CD2 4.37Å; L237-Y304 HydrophobicContact CB-CE1 4.26Å; L237-Y304 HydrophobicContact CB-CE2 3.84Å; L237-Y304 HydrophobicContact CD2-CD1 3.86Å; L237-Y304 HydrophobicContact CD2-CD2 3.43Å; L237-Y304 VanDerWaalsContact CD2-CD2 3.43Å; L237-Y304 HydrophobicContact CD2-CE1 4.17Å; L237-Y304 HydrophobicContact CD2-CE2 3.79Å; L237-Y304 HydrophobicContact CD2-CG 3.47Å; L237-Y304 VanDerWaalsContact CD2-CG 3.47Å; L237-Y304 HydrophobicContact CG-CD1 3.99Å; L237-Y304 HydrophobicContact CG-CD2 4.11Å; L237-Y304 HydrophobicContact CG-CE1 3.87Å; L237-Y304 HydrophobicContact CG-CE2 4.01Å; L237-Y304 HydrophobicContact CG-CG 4.11Å; D238-Y304 WeakPolarHBondContact CA-OH 3.37Å; D238-Y304 WeakPolarHBondContact CB-OH 3.28Å; D238-Y304 PolarHBondContact N-OH 3.41Å; M301-Y304 HydrophobicContact CE-CD1 3.79Å; M301-Y304 HydrophobicContact CE-CG 4.37Å; M301-Y304 PolarHBondContact O-N 3.43Å; M301-Y304 HydrophobicContact SD-CD1 4.24Å; K302-Y304 VanDerWaalsContact C-N 3.28Å
305	V	90.2	Very high	92.4	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	23%	0.229	C	C	.	.	S	Bend	trans	-81	135.1	178	178.7	0	0	0	0	109.2	M246 M296 M301 F307 W309	M246-V305 HydrophobicContact CE-CG2 3.8Å; M296-V305 HydrophobicContact CE-CG1 4.15Å; M296-V305 HydrophobicContact CG-CG1 4.11Å; M296-V305 HydrophobicContact CG-CG2 4.35Å; M296-V305 HydrophobicContact SD-CG1 3.98Å; M301-V305 HydrophobicContact CB-CG2 4.33Å; M301-V305 WeakPolarHBondContact O-CG2 3.22Å; M301-V305 PolarHBondContact O-N 3.31Å; V305-F307 PolarHBondContact O-N 3.05Å; V305-W309 HydrophobicContact CG1-CB 4.02Å; V305-W309 HydrophobicContact CG1-CE3 4.32Å
306	P	90.2	Very high	92.5	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.026	22%	0.224	C	C	.	.			trans	-53.8	132.9	176.7	-26.7	34.5	0	0	0	112.1	S308 W309 A310	P306-S308 PolarHBondContact O-N 2.89Å; P306-S308 VanDerWaalsContact O-N 3.11Å; P306-W309 HydrophobicContact CB-CG 4.2Å; P306-W309 HydrophobicContact CG-CD2 4.35Å; P306-W309 HydrophobicContact CG-CG 4.39Å; P306-W309 WeakPolarHBondContact O-CB 3.39Å; P306-W309 PolarHBondContact O-N 3.23Å; P306-A310 PolarHBondContact O-N 3.01Å
307	F	89.7	Confident	92.7	Very high	125 Å²	125	43.5 Å²	43.5	55%	0.548	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-32.8	-179.5	175.6	-104.7	0	0	0	112.6	V305 W309 A310 S311 C400	V305-F307 PolarHBondContact O-N 3.05Å; F307-W309 VanDerWaalsContact C-N 3.32Å; F307-W309 PolarHBondContact O-N 2.93Å; F307-A310 PolarHBondContact O-N 3.27Å; F307-S311 WeakPolarHBondContact CE1-OG 3.39Å; F307-S311 WeakPolarHBondContact CZ-OG 3.22Å; F307-S311 WeakPolarHBondContact O-CB 3.39Å; F307-S311 PolarHBondContact O-N 3.07Å; F307-S311 PolarHBondContact O-OG 3.47Å; F307-C400 HydrophobicContact CE1-CB 4.06Å
308	S	91.7	Very high	92.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-36.7	175.1	56.5	0	0	0	0	113.3	S90 P306 M312	S90-S308 WeakPolarHBondContact CB-OG 3.3Å; S90-S308 PolarHBondContact OG-OG 3.45Å; P306-S308 PolarHBondContact O-N 2.89Å; P306-S308 VanDerWaalsContact O-N 3.11Å; S308-M312 WeakPolarHBondContact O-CB 3.5Å; S308-M312 PolarHBondContact O-N 3.12Å
309	W	94.8	Very high	93.2	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-72.7	-46.5	178.9	-71	21	0	0	0	111	I107 P108 L109 L170 L247 L250 M296 V305 P306 F307 S311 M312 V313	I107-W309 HydrophobicContact CD1-CB 4.37Å; I107-W309 HydrophobicContact CG2-CD2 3.47Å; I107-W309 VanDerWaalsContact CG2-CD2 3.47Å; I107-W309 VanDerWaalsContact CG2-CE2 3.5Å; I107-W309 HydrophobicContact CG2-CE3 3.87Å; I107-W309 HydrophobicContact CG2-CG 3.85Å; I107-W309 HydrophobicContact CG2-CH2 4.3Å; I107-W309 HydrophobicContact CG2-CZ2 3.93Å; I107-W309 HydrophobicContact CG2-CZ3 4.26Å; P108-W309 WeakPolarHBondContact O-CZ2 3.34Å; L109-W309 HydrophobicContact CD1-CH2 4.13Å; L109-W309 HydrophobicContact CD1-CZ3 4.4Å; L109-W309 HydrophobicContact CG-CH2 3.92Å; L109-W309 HydrophobicContact CG-CZ3 4.46Å; L170-W309 HydrophobicContact CD2-CH2 3.5Å; L170-W309 HydrophobicContact CD2-CZ2 4.22Å; L170-W309 HydrophobicContact CD2-CZ3 3.76Å; L247-W309 HydrophobicContact CD2-CZ3 4.32Å; L250-W309 HydrophobicContact CD2-CE3 4.47Å; M296-W309 HydrophobicContact CE-CB 4.43Å; M296-W309 HydrophobicContact CE-CE3 4.45Å; V305-W309 HydrophobicContact CG1-CB 4.02Å; V305-W309 HydrophobicContact CG1-CE3 4.32Å; P306-W309 HydrophobicContact CB-CG 4.2Å; P306-W309 HydrophobicContact CG-CD2 4.35Å; P306-W309 HydrophobicContact CG-CG 4.39Å; P306-W309 WeakPolarHBondContact O-CB 3.39Å; P306-W309 PolarHBondContact O-N 3.23Å; F307-W309 VanDerWaalsContact C-N 3.32Å; F307-W309 PolarHBondContact O-N 2.93Å; W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 3.41Å; W309-M312 PolarHBondContact O-N 3.25Å; W309-V313 WeakPolarHBondContact O-CG2 3.25Å; W309-V313 PolarHBondContact O-N 2.89Å
310	A	95.6	Very high	93.7	Very high	17 Å²	17	32.9 Å²	32.9	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-43.4	175.6	0	0	0	0	0	111	M296 P306 F307 V313 Q314	M296-A310 HydrophobicContact SD-CB 4.41Å; P306-A310 PolarHBondContact O-N 3.01Å; F307-A310 PolarHBondContact O-N 3.27Å; A310-V313 PolarHBondContact O-N 2.86Å; A310-Q314 WeakPolarHBondContact O-CB 3.49Å; A310-Q314 PolarHBondContact O-N 2.8Å
311	S	96.1	Very high	94.3	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175	-58.3	0	0	0	0	111.9	F307 W309 V313 Q314 V315	F307-S311 WeakPolarHBondContact CE1-OG 3.39Å; F307-S311 WeakPolarHBondContact CZ-OG 3.22Å; F307-S311 WeakPolarHBondContact O-CB 3.39Å; F307-S311 PolarHBondContact O-N 3.07Å; F307-S311 PolarHBondContact O-OG 3.47Å; W309-S311 VanDerWaalsContact C-N 3.27Å; W309-S311 PolarHBondContact O-N 3.41Å; S311-V313 PolarHBondContact O-N 2.99Å; S311-Q314 PolarHBondContact O-N 3.26Å; S311-V315 VanDerWaalsContact O-CG2 3.3Å; S311-V315 WeakPolarHBondContact O-CG2 3.17Å; S311-V315 PolarHBondContact O-N 2.85Å
312	M	96.8	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.8	-45	179	177.2	63.8	88.4	0	0	111.6	M92 P105 I107 S308 W309 Q314 V315 K316 L403 M406 L409	M92-M312 HydrophobicContact CE-CB 4.23Å; M92-M312 HydrophobicContact CE-CE 4.2Å; M92-M312 HydrophobicContact CE-CG 4.34Å; M92-M312 HydrophobicContact SD-CE 3.27Å; M92-M312 WeakPolarHBondContact SD-CE 3.29Å; P105-M312 HydrophobicContact CB-CE 4.16Å; I107-M312 HydrophobicContact CD1-CB 3.97Å; I107-M312 HydrophobicContact CD1-CG 3.8Å; I107-M312 HydrophobicContact CG1-CB 4.49Å; I107-M312 HydrophobicContact CG1-CG 3.92Å; S308-M312 WeakPolarHBondContact O-CB 3.5Å; S308-M312 PolarHBondContact O-N 3.12Å; W309-M312 PolarHBondContact O-N 3.25Å; M312-Q314 VanDerWaalsContact C-N 3.3Å; M312-Q314 PolarHBondContact O-N 2.88Å; M312-V315 PolarHBondContact O-N 2.87Å; M312-K316 HydrophobicContact CG-CD 4.42Å; M312-K316 WeakPolarHBondContact O-CB 3.3Å; M312-K316 WeakPolarHBondContact O-CG 3.37Å; M312-K316 PolarHBondContact O-N 3.06Å; M312-K316 HydrophobicContact SD-CG 4.36Å; M312-L403 HydrophobicContact CB-CD1 4.48Å; M312-L403 HydrophobicContact CB-CD2 4.15Å; M312-L403 HydrophobicContact CE-CD2 3.78Å; M312-L403 HydrophobicContact SD-CD2 4.5Å; M312-M406 HydrophobicContact CE-CE 4.38Å; M312-M406 HydrophobicContact CE-SD 3.93Å; M312-L409 HydrophobicContact CE-CD2 3.85Å; M312-L409 HydrophobicContact SD-CD1 4.48Å; M312-L409 HydrophobicContact SD-CD2 4.02Å
313	V	98.2	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-40.8	177.3	170.5	0	0	0	0	111	I107 L250 Y289 V292 H293 M296 W309 A310 S311 K316 S317	I107-V313 HydrophobicContact CD1-CG2 3.78Å; L250-V313 HydrophobicContact CD1-CG2 3.9Å; Y289-V313 HydrophobicContact CD1-CG1 3.97Å; Y289-V313 HydrophobicContact CD1-CG2 4.39Å; Y289-V313 WeakPolarHBondContact O-CG1 3.29Å; V292-V313 HydrophobicContact CB-CG1 3.92Å; V292-V313 HydrophobicContact CG1-CG1 3.94Å; V292-V313 HydrophobicContact CG1-CG2 4.04Å; H293-V313 HydrophobicContact CB-CG1 3.84Å; M296-V313 HydrophobicContact CE-CG2 4.08Å; M296-V313 HydrophobicContact SD-CB 4.48Å; M296-V313 HydrophobicContact SD-CG2 4.04Å; W309-V313 WeakPolarHBondContact O-CG2 3.25Å; W309-V313 PolarHBondContact O-N 2.89Å; A310-V313 PolarHBondContact O-N 2.86Å; S311-V313 PolarHBondContact O-N 2.99Å; V313-K316 PolarHBondContact O-N 2.76Å; V313-S317 WeakPolarHBondContact O-CB 3.3Å; V313-S317 PolarHBondContact O-N 2.9Å
314	Q	98.1	Very high	95.8	Very high	53 Å²	53	14.7 Å²	14.7	25%	0.248	7%	0.071	C	C	.	.	H	α-helix	trans	-66	-45.2	176.2	-173.4	178.1	1.8	0	0	111.8	A310 S311 M312 K316 S317 E318 V396	A310-Q314 WeakPolarHBondContact O-CB 3.49Å; A310-Q314 PolarHBondContact O-N 2.8Å; S311-Q314 PolarHBondContact O-N 3.26Å; M312-Q314 VanDerWaalsContact C-N 3.3Å; M312-Q314 PolarHBondContact O-N 2.88Å; Q314-K316 VanDerWaalsContact C-N 3.34Å; Q314-K316 PolarHBondContact O-N 2.81Å; Q314-S317 WeakPolarHBondContact O-CB 3.34Å; Q314-S317 PolarHBondContact O-N 3.42Å; Q314-E318 PolarHBondContact O-N 3.27Å; Q314-V396 HydrophobicContact CB-CG1 4.18Å; Q314-V396 HydrophobicContact CG-CG1 4.15Å; Q314-V396 HydrophobicContact CG-CG2 4.24Å
315	V	98.4	Very high	96.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-56.1	-48.6	174.2	170.2	0	0	0	0	110.7	S311 M312 S317 E318 H319 A393 V396 H397 L403 L409 L413	S311-V315 VanDerWaalsContact O-CG2 3.3Å; S311-V315 WeakPolarHBondContact O-CG2 3.17Å; S311-V315 PolarHBondContact O-N 2.85Å; M312-V315 PolarHBondContact O-N 2.87Å; V315-S317 PolarHBondContact O-N 3.36Å; V315-E318 PolarHBondContact O-N 3.35Å; V315-H319 VanDerWaalsContact O-CB 3.23Å; V315-H319 WeakPolarHBondContact O-CB 3.21Å; V315-H319 PolarHBondContact O-N 3.07Å; V315-A393 HydrophobicContact CG1-CB 4.42Å; V315-V396 HydrophobicContact CG2-CB 3.88Å; V315-V396 HydrophobicContact CG2-CG1 3.73Å; V315-H397 HydrophobicContact CG2-CB 4.07Å; V315-L403 HydrophobicContact CG2-CD1 4.17Å; V315-L409 HydrophobicContact CG1-CD1 4.27Å; V315-L413 HydrophobicContact CG1-CD1 3.89Å; V315-L413 HydrophobicContact CG1-CD2 4.17Å
316	K	98.4	Very high	96.7	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-58.9	-46.3	176.9	-75.3	-176.4	177.8	-123.7	0	111.4	V104 P105 E257 Y289 M312 V313 Q314 E318 H319 F320	V104-K316 HydrophobicContact CG1-CD 4.3Å; V104-K316 VanDerWaalsContact CG1-CE 3.49Å; V104-K316 HydrophobicContact CG1-CG 3.97Å; P105-K316 WeakPolarHBondContact O-CE 3.44Å; P105-K316 PolarHBondContact O-NZ 2.92Å; E257-K316 IonicContact OE1-NZ 3.16Å; E257-K316 PolarHBondContact OE1-NZ 3.34Å; E257-K316 WeakPolarHBondContact OE2-CD 3.27Å; E257-K316 IonicContact OE2-NZ 3.08Å; E257-K316 PolarHBondContact OE2-NZ 2.71Å; Y289-K316 HydrophobicContact CD2-CB 3.86Å; Y289-K316 HydrophobicContact CD2-CD 4.45Å; Y289-K316 HydrophobicContact CE1-CD 3.94Å; Y289-K316 HydrophobicContact CE2-CB 4.03Å; Y289-K316 HydrophobicContact CE2-CD 3.83Å; Y289-K316 HydrophobicContact CE2-CG 4.5Å; Y289-K316 HydrophobicContact CG-CB 4.13Å; M312-K316 HydrophobicContact CG-CD 4.42Å; M312-K316 WeakPolarHBondContact O-CB 3.3Å; M312-K316 WeakPolarHBondContact O-CG 3.37Å; M312-K316 PolarHBondContact O-N 3.06Å; M312-K316 HydrophobicContact SD-CG 4.36Å; V313-K316 PolarHBondContact O-N 2.76Å; Q314-K316 VanDerWaalsContact C-N 3.34Å; Q314-K316 PolarHBondContact O-N 2.81Å; K316-E318 PolarHBondContact O-N 2.92Å; K316-H319 PolarHBondContact O-N 3.2Å; K316-F320 HydrophobicContact CB-CD2 4.26Å; K316-F320 HydrophobicContact CB-CE2 4.31Å; K316-F320 HydrophobicContact CG-CE2 4.45Å; K316-F320 WeakPolarHBondContact O-CD2 3.42Å; K316-F320 PolarHBondContact O-N 3.5Å
317	S	98.6	Very high	97	Very high	5 Å²	5	14.8 Å²	14.8	4%	0.035	7%	0.07	C	C	.	.	H	α-helix	trans	-56	-50.1	177.9	-170.3	0	0	0	0	111.9	S286 S290 V313 Q314 V315 R321	S286-S317 WeakPolarHBondContact CB-O 3.42Å; S286-S317 PolarHBondContact O-OG 3.03Å; S286-S317 PolarHBondContact OG-O 3.19Å; S290-S317 PolarHBondContact OG-OG 2.82Å; V313-S317 WeakPolarHBondContact O-CB 3.3Å; V313-S317 PolarHBondContact O-N 2.9Å; Q314-S317 WeakPolarHBondContact O-CB 3.34Å; Q314-S317 PolarHBondContact O-N 3.42Å; V315-S317 PolarHBondContact O-N 3.36Å; S317-R321 WeakPolarHBondContact O-CB 3.4Å; S317-R321 PolarHBondContact O-N 3.49Å; S317-R321 VanDerWaalsContact O-N 3.1Å
318	E	98.5	Very high	97.3	Very high	30 Å²	30	8.9 Å²	8.9	14%	0.14	4%	0.044	C	C	.	.	H	α-helix	trans	-68.6	-39.5	-179.4	-65.9	-62.7	158.9	0	0	112.1	Q314 V315 K316 R321 A322 R389 E392 A393	Q314-E318 PolarHBondContact O-N 3.27Å; V315-E318 PolarHBondContact O-N 3.35Å; K316-E318 PolarHBondContact O-N 2.92Å; E318-R321 PolarHBondContact O-N 3.16Å; E318-A322 PolarHBondContact O-N 3.23Å; E318-R389 IonicContact OE1-NH1 3.62Å; E318-R389 PolarHBondContact OE1-NH1 2.91Å; E318-R389 WeakPolarHBondContact OE2-CD 3.41Å; E318-R389 IonicContact OE2-CZ 2.87Å; E318-R389 IonicContact OE2-NE 2.69Å; E318-R389 IonicContact OE2-NH1 2.85Å; E318-R389 PolarHBondContact OE2-NH1 2.9Å; E318-E392 HydrophobicContact CG-CG 4.04Å; E318-A393 HydrophobicContact CB-CB 3.85Å
319	H	98.4	Very high	97.4	Very high	7 Å²	7	8.9 Å²	8.9	3%	0.032	4%	0.044	C	C	.	.	H	α-helix	trans	-62.9	-49.1	177.3	174.6	60.9	0	0	0	112.7	V315 K316 R321 A322 L323 H390 A393 L413 T416	V315-H319 VanDerWaalsContact O-CB 3.23Å; V315-H319 WeakPolarHBondContact O-CB 3.21Å; V315-H319 PolarHBondContact O-N 3.07Å; K316-H319 PolarHBondContact O-N 3.2Å; H319-R321 VanDerWaalsContact C-N 3.29Å; H319-R321 PolarHBondContact O-N 3.41Å; H319-A322 WeakPolarHBondContact O-CB 3.12Å; H319-A322 PolarHBondContact O-N 3.06Å; H319-A322 VanDerWaalsContact O-N 3.11Å; H319-L323 PolarHBondContact O-N 2.93Å; H319-H390 AromaticContact CE1-NE2 3.72Å; H319-H390 AromaticContact ND1-CD2 3.5Å; H319-H390 AromaticContact ND1-NE2 3.23Å; H319-H390 PolarHBondContact ND1-NE2 2.86Å; H319-A393 HydrophobicContact CB-CB 4.36Å; H319-L413 HydrophobicContact CB-CD2 4.01Å; H319-T416 PolarHBondContact CE1-OG1 2.88Å; H319-T416 VanDerWaalsContact CE1-OG1 3.28Å
320	F	98.5	Very high	97.3	Very high	5 Å²	5	8.7 Å²	8.7	2%	0.022	4%	0.044	C	C	.	.	H	α-helix	trans	-69.4	-28.7	178.5	-74.2	-70.1	0	0	0	112.2	E257 F260 V285 Y289 K316 A322 L323 S324	E257-F320 HydrophobicContact CB-CZ 4.48Å; E257-F320 HydrophobicContact CG-CE1 4.47Å; E257-F320 HydrophobicContact CG-CE2 4.02Å; E257-F320 HydrophobicContact CG-CZ 3.6Å; E257-F320 WeakPolarHBondContact OE2-CE2 3.09Å; F260-F320 HydrophobicContact CD1-CD1 4.15Å; F260-F320 AromaticContact CD1-CE1 3.64Å; F260-F320 HydrophobicContact CD1-CE1 3.64Å; F260-F320 HydrophobicContact CE1-CD1 4.13Å; F260-F320 AromaticContact CE1-CE1 3.71Å; F260-F320 HydrophobicContact CE1-CE1 3.71Å; V285-F320 HydrophobicContact CB-CB 4.06Å; V285-F320 HydrophobicContact CB-CD1 4.14Å; V285-F320 HydrophobicContact CB-CD2 4.26Å; V285-F320 HydrophobicContact CB-CG 3.9Å; V285-F320 HydrophobicContact CG1-CB 4Å; V285-F320 HydrophobicContact CG1-CD1 3.88Å; V285-F320 HydrophobicContact CG1-CD2 3.3Å; V285-F320 HydrophobicContact CG1-CE1 4.21Å; V285-F320 HydrophobicContact CG1-CE2 3.69Å; V285-F320 HydrophobicContact CG1-CG 3.44Å; V285-F320 VanDerWaalsContact CG1-CG 3.44Å; V285-F320 HydrophobicContact CG1-CZ 4.14Å; Y289-F320 HydrophobicContact CD2-CD2 4.38Å; Y289-F320 HydrophobicContact CE2-CD2 4.41Å; Y289-F320 HydrophobicContact CE2-CE2 4.29Å; K316-F320 HydrophobicContact CB-CD2 4.26Å; K316-F320 HydrophobicContact CB-CE2 4.31Å; K316-F320 HydrophobicContact CG-CE2 4.45Å; K316-F320 WeakPolarHBondContact O-CD2 3.42Å; K316-F320 PolarHBondContact O-N 3.5Å; F320-A322 VanDerWaalsContact C-N 3.34Å; F320-L323 HydrophobicContact CD1-CD1 3.86Å; F320-L323 HydrophobicContact CE1-CD1 4.07Å; F320-L323 PolarHBondContact O-N 3.25Å; F320-S324 PolarHBondContact O-N 2.87Å
321	R	98.4	Very high	97.2	Very high	10 Å²	10	8 Å²	8	4%	0.038	4%	0.038	C	C	.	.	H	α-helix	trans	-67.7	-35.3	169.7	-166.2	69.8	-164.1	174.1	3.6	112.2	S317 E318 H319 S324 H325 E441	S317-R321 WeakPolarHBondContact O-CB 3.4Å; S317-R321 PolarHBondContact O-N 3.49Å; S317-R321 VanDerWaalsContact O-N 3.1Å; E318-R321 PolarHBondContact O-N 3.16Å; H319-R321 VanDerWaalsContact C-N 3.29Å; H319-R321 PolarHBondContact O-N 3.41Å; R321-S324 PolarHBondContact O-OG 3.39Å; R321-H325 PolarHBondContact NE-NE2 3.44Å; R321-H325 PolarHBondContact O-CD2 3.34Å; R321-H325 VanDerWaalsContact O-CD2 3.24Å; R321-H325 PolarHBondContact O-N 3.2Å; R321-E441 IonicContact CZ-OE1 2.88Å; R321-E441 IonicContact CZ-OE2 2.89Å; R321-E441 IonicContact NE-OE1 3.64Å; R321-E441 IonicContact NH1-OE1 3.29Å; R321-E441 IonicContact NH2-OE1 2.95Å; R321-E441 PolarHBondContact NH2-OE1 2.96Å; R321-E441 IonicContact NH2-OE2 3.38Å; R321-E441 PolarHBondContact NH2-OE2 3.44Å
322	A	98.4	Very high	96.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.1	-44.3	172.7	0	0	0	0	0	111.4	E318 H319 F320 S324 H325 Y326 A386 R389 H390	E318-A322 PolarHBondContact O-N 3.23Å; H319-A322 WeakPolarHBondContact O-CB 3.12Å; H319-A322 PolarHBondContact O-N 3.06Å; H319-A322 VanDerWaalsContact O-N 3.11Å; F320-A322 VanDerWaalsContact C-N 3.34Å; A322-S324 VanDerWaalsContact C-N 3.32Å; A322-S324 PolarHBondContact O-N 3.19Å; A322-H325 PolarHBondContact O-N 3.47Å; A322-Y326 PolarHBondContact O-N 3.28Å; A322-A386 VanDerWaalsContact CB-O 3.32Å; A322-A386 WeakPolarHBondContact CB-O 3.47Å; A322-A386 VanDerWaalsContact O-CB 3.31Å; A322-A386 WeakPolarHBondContact O-CB 3.45Å; A322-R389 HydrophobicContact CB-CB 3.67Å; A322-H390 HydrophobicContact CB-CB 4.28Å; A322-H390 WeakPolarHBondContact CB-CD2 3.46Å; A322-H390 VanDerWaalsContact CB-CG 3.47Å; A322-H390 WeakPolarHBondContact CB-NE2 3.29Å
323	L	98.1	Very high	96.4	Very high	14 Å²	14	9.5 Å²	9.5	7%	0.073	5%	0.048	C	C	.	.	H	α-helix	trans	-60.4	-39.6	175.7	-72.1	178.8	0	0	0	112.4	F260 A282 H319 F320 H325 Y326 Y327 T416	F260-L323 HydrophobicContact CE1-CD1 4.21Å; F260-L323 HydrophobicContact CZ-CD1 4.22Å; A282-L323 HydrophobicContact CB-CB 4.17Å; H319-L323 PolarHBondContact O-N 2.93Å; F320-L323 HydrophobicContact CD1-CD1 3.86Å; F320-L323 HydrophobicContact CE1-CD1 4.07Å; F320-L323 PolarHBondContact O-N 3.25Å; L323-H325 VanDerWaalsContact C-N 3.34Å; L323-H325 PolarHBondContact O-N 3.49Å; L323-Y326 WeakPolarHBondContact O-CB 3.31Å; L323-Y326 PolarHBondContact O-N 3.26Å; L323-Y327 HydrophobicContact CB-CD2 4.4Å; L323-Y327 HydrophobicContact CB-CE2 4.27Å; L323-Y327 HydrophobicContact CD2-CE2 4.46Å; L323-Y327 WeakPolarHBondContact O-CD2 3.4Å; L323-Y327 PolarHBondContact O-N 3.21Å; L323-T416 HydrophobicContact CD2-CG2 4.31Å
324	S	98.3	Very high	95.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.8	-45.5	177.7	71	0	0	0	0	111.9	A279 F320 R321 A322 A328 I442	A279-S324 WeakPolarHBondContact CB-O 3.44Å; A279-S324 WeakPolarHBondContact O-CB 3.44Å; F320-S324 PolarHBondContact O-N 2.87Å; R321-S324 PolarHBondContact O-OG 3.39Å; A322-S324 VanDerWaalsContact C-N 3.32Å; A322-S324 PolarHBondContact O-N 3.19Å; S324-A328 WeakPolarHBondContact O-CB 3.47Å; S324-A328 PolarHBondContact O-N 3.49Å; S324-I442 WeakPolarHBondContact O-CD1 3.39Å
325	H	97.9	Very high	95	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.8	-35.3	175.6	-72.4	-56.9	0	0	0	112.9	R321 A322 L323 A328 A329 H382 R385 A386 I442	R321-H325 PolarHBondContact NE-NE2 3.44Å; R321-H325 PolarHBondContact O-CD2 3.34Å; R321-H325 VanDerWaalsContact O-CD2 3.24Å; R321-H325 PolarHBondContact O-N 3.2Å; A322-H325 PolarHBondContact O-N 3.47Å; L323-H325 VanDerWaalsContact C-N 3.34Å; L323-H325 PolarHBondContact O-N 3.49Å; H325-A328 PolarHBondContact O-N 2.89Å; H325-A329 WeakPolarHBondContact O-CB 3.48Å; H325-A329 PolarHBondContact O-N 2.78Å; H325-H382 WeakPolarHBondContact CB-O 3.32Å; H325-H382 AromaticContact CE1-ND1 3.79Å; H325-H382 AromaticContact CG-ND1 3.92Å; H325-H382 AromaticContact ND1-CE1 3.57Å; H325-H382 AromaticContact ND1-ND1 2.96Å; H325-H382 PolarHBondContact ND1-ND1 3.2Å; H325-R385 VanDerWaalsContact NE2-CD 3.32Å; H325-R385 WeakPolarHBondContact NE2-CD 3.48Å; H325-R385 PolarHBondContact NE2-NE 3.07Å; H325-R385 VanDerWaalsContact NE2-NE 3.18Å; H325-A386 HydrophobicContact CB-CB 3.96Å; H325-I442 WeakPolarHBondContact ND1-CD1 3.28Å
326	Y	97.4	Very high	93.7	Very high	13 Å²	13	17.2 Å²	17.2	5%	0.051	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-49.7	174	173.1	-90.4	0	0	0	111.7	A322 L323 A328 A329 A330 L383 R419 S420 K423	A322-Y326 PolarHBondContact O-N 3.28Å; L323-Y326 WeakPolarHBondContact O-CB 3.31Å; L323-Y326 PolarHBondContact O-N 3.26Å; Y326-A328 VanDerWaalsContact C-N 3.34Å; Y326-A328 PolarHBondContact O-N 2.85Å; Y326-A329 PolarHBondContact O-N 3.4Å; Y326-A330 PolarHBondContact O-N 3.16Å; Y326-L383 HydrophobicContact CD2-CD2 4Å; Y326-L383 HydrophobicContact CE2-CD2 4.43Å; Y326-R419 HydrophobicContact CE2-CG 3.89Å; Y326-R419 VanDerWaalsContact CZ-NE 3.29Å; Y326-R419 VanDerWaalsContact OH-CZ 3.23Å; Y326-R419 PolarHBondContact OH-NE 3.23Å; Y326-R419 PolarHBondContact OH-NH2 3.44Å; Y326-R419 VanDerWaalsContact OH-NH2 3.12Å; Y326-S420 WeakPolarHBondContact CD2-OG 3.45Å; Y326-K423 HydrophobicContact CE2-CD 4.18Å
327	Y	96.6	Very high	92.1	Very high	20 Å²	20	20.1 Å²	20.1	8%	0.078	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-35	179.2	-72.6	-60.5	0	0	0	112.4	F260 Q275 L278 L323 A329 A330 A331	F260-Y327 HydrophobicContact CE2-CE2 4.04Å; F260-Y327 AromaticContact CZ-CE2 3.78Å; F260-Y327 HydrophobicContact CZ-CE2 3.78Å; Q275-Y327 VanDerWaalsContact OE1-CD1 3.26Å; L278-Y327 HydrophobicContact CB-CD1 4.11Å; L278-Y327 HydrophobicContact CB-CD2 4.03Å; L278-Y327 HydrophobicContact CB-CE1 4.47Å; L278-Y327 HydrophobicContact CB-CE2 4.43Å; L278-Y327 HydrophobicContact CB-CG 3.87Å; L278-Y327 HydrophobicContact CD1-CD1 4.08Å; L278-Y327 HydrophobicContact CD1-CE1 3.93Å; L323-Y327 HydrophobicContact CB-CD2 4.4Å; L323-Y327 HydrophobicContact CB-CE2 4.27Å; L323-Y327 HydrophobicContact CD2-CE2 4.46Å; L323-Y327 WeakPolarHBondContact O-CD2 3.4Å; L323-Y327 PolarHBondContact O-N 3.21Å; Y327-A329 VanDerWaalsContact C-N 3.33Å; Y327-A329 PolarHBondContact O-N 2.9Å; Y327-A330 PolarHBondContact O-N 3.3Å; Y327-A331 WeakPolarHBondContact O-CB 3.13Å; Y327-A331 PolarHBondContact O-N 3.3Å
328	A	95.6	Very high	90.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-44.6	172.1	0	0	0	0	0	111.7	A279 S324 H325 Y326 A331 L332 F355 I442	A279-A328 HydrophobicContact CB-CB 4.24Å; S324-A328 WeakPolarHBondContact O-CB 3.47Å; S324-A328 PolarHBondContact O-N 3.49Å; H325-A328 PolarHBondContact O-N 2.89Å; Y326-A328 VanDerWaalsContact C-N 3.34Å; Y326-A328 PolarHBondContact O-N 2.85Å; A328-A331 WeakPolarHBondContact O-CB 3.18Å; A328-A331 PolarHBondContact O-N 2.89Å; A328-L332 WeakPolarHBondContact O-CG 3.34Å; A328-L332 PolarHBondContact O-N 2.99Å; A328-L332 VanDerWaalsContact O-N 3.12Å; A328-F355 HydrophobicContact CB-CE1 3.81Å; A328-F355 HydrophobicContact CB-CZ 3.67Å; A328-I442 HydrophobicContact CB-CD1 3.72Å
329	A	94.8	Very high	88	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-41.2	176.7	0	0	0	0	0	112.5	H325 Y326 Y327 A331 L332 C333 G379 H382 L383	H325-A329 WeakPolarHBondContact O-CB 3.48Å; H325-A329 PolarHBondContact O-N 2.78Å; Y326-A329 PolarHBondContact O-N 3.4Å; Y327-A329 VanDerWaalsContact C-N 3.33Å; Y327-A329 PolarHBondContact O-N 2.9Å; A329-A331 VanDerWaalsContact C-N 3.32Å; A329-A331 PolarHBondContact O-N 2.95Å; A329-L332 PolarHBondContact O-N 2.87Å; A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.92Å; A329-C333 PolarHBondContact O-SG 2.99Å; A329-G379 VanDerWaalsContact CB-O 3.31Å; A329-G379 WeakPolarHBondContact CB-O 3.19Å; A329-H382 HydrophobicContact CB-CB 3.86Å; A329-L383 HydrophobicContact CB-CD1 3.93Å; A329-L383 HydrophobicContact CB-CD2 4.07Å; A329-L383 HydrophobicContact CB-CG 3.49Å; A329-L383 VanDerWaalsContact CB-CG 3.49Å
330	A	93.1	Very high	85.5	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-44.8	175	0	0	0	0	0	111.1	Y326 Y327 L332 C333 D334	Y326-A330 PolarHBondContact O-N 3.16Å; Y327-A330 PolarHBondContact O-N 3.3Å; A330-L332 VanDerWaalsContact C-N 3.35Å; A330-L332 PolarHBondContact O-N 3.03Å; A330-C333 PolarHBondContact O-N 3.01Å; A330-D334 VanDerWaalsContact O-CB 3.23Å; A330-D334 WeakPolarHBondContact O-CB 3.4Å; A330-D334 PolarHBondContact O-N 3.45Å
331	A	92.3	Very high	83.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-54.9	-49.9	173.8	0	0	0	0	0	111.5	F272 Q275 L276 Y327 A328 A329 H335	F272-A331 HydrophobicContact CD2-CB 3.88Å; F272-A331 WeakPolarHBondContact CD2-O 3.32Å; F272-A331 HydrophobicContact CE2-CB 4.05Å; Q275-A331 HydrophobicContact CB-CB 3.55Å; L276-A331 HydrophobicContact CD2-CB 3.8Å; L276-A331 HydrophobicContact CG-CB 4.21Å; Y327-A331 WeakPolarHBondContact O-CB 3.13Å; Y327-A331 PolarHBondContact O-N 3.3Å; A328-A331 WeakPolarHBondContact O-CB 3.18Å; A328-A331 PolarHBondContact O-N 2.89Å; A329-A331 VanDerWaalsContact C-N 3.32Å; A329-A331 PolarHBondContact O-N 2.95Å; A331-H335 VanDerWaalsContact O-CB 3.24Å; A331-H335 WeakPolarHBondContact O-CB 3.49Å; A331-H335 PolarHBondContact O-N 2.97Å
332	L	90	Very high	81.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-42.3	-176.2	-71.4	166.7	0	0	0	113.7	F272 A328 A329 A330 F352 L369 R375 L378	F272-L332 HydrophobicContact CE2-CD2 4.49Å; A328-L332 WeakPolarHBondContact O-CG 3.34Å; A328-L332 PolarHBondContact O-N 2.99Å; A328-L332 VanDerWaalsContact O-N 3.12Å; A329-L332 PolarHBondContact O-N 2.87Å; A330-L332 VanDerWaalsContact C-N 3.35Å; A330-L332 PolarHBondContact O-N 3.03Å; L332-F352 HydrophobicContact CD2-CE2 3.79Å; L332-F352 HydrophobicContact CD2-CZ 3.74Å; L332-L369 HydrophobicContact CD2-CD2 4.1Å; L332-R375 HydrophobicContact CD2-CG 4.46Å; L332-R375 PolarHBondContact O-NH1 3.3Å; L332-L378 HydrophobicContact CD1-CB 4.16Å; L332-L378 HydrophobicContact CD1-CD2 3.86Å; L332-L378 HydrophobicContact CD1-CG 3.69Å; L332-L378 HydrophobicContact CD2-CD2 4.35Å
333	C	86.5	Confident	78.8	Confident	36 Å²	36	54.2 Å²	54.2	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-76.2	-38.8	-175.6	-60.4	0	0	0	0	112	A329 A330 H335 L427	A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.92Å; A329-C333 PolarHBondContact O-SG 2.99Å; A330-C333 PolarHBondContact O-N 3.01Å; C333-H335 VanDerWaalsContact C-N 3.33Å; C333-L427 VanDerWaalsContact SG-CD1 3.56Å
334	D	84.8	Confident	76.5	Confident	75 Å²	75	57.1 Å²	57.1	40%	0.401	31%	0.307	S	S	.	.	H	α-helix	trans	-89.6	-3.8	-173.8	-51.1	-13.8	0	0	0	111.5	A330 T336 K423	A330-D334 VanDerWaalsContact O-CB 3.23Å; A330-D334 WeakPolarHBondContact O-CB 3.4Å; A330-D334 PolarHBondContact O-N 3.45Å; D334-T336 PolarHBondContact O-N 2.98Å; D334-K423 VanDerWaalsContact CG-NZ 3.34Å; D334-K423 IonicContact OD1-NZ 2.91Å; D334-K423 PolarHBondContact OD1-NZ 3.06Å; D334-K423 IonicContact OD2-NZ 3.93Å; D334-K423 PolarHBondContact OD2-NZ 2.9Å
335	H	81.4	Confident	74.8	Confident	27 Å²	27	59.2 Å²	59.2	13%	0.125	32%	0.318	C	S	.	.			trans	-68.1	124.7	177.5	-179.7	63.3	0	0	0	111.9	F272 A331 C333 R375	F272-H335 HydrophobicContact CD2-CB 3.94Å; F272-H335 AromaticContact CG-ND1 3.89Å; A331-H335 VanDerWaalsContact O-CB 3.24Å; A331-H335 WeakPolarHBondContact O-CB 3.49Å; A331-H335 PolarHBondContact O-N 2.97Å; C333-H335 VanDerWaalsContact C-N 3.33Å; H335-R375 PolarHBondContact O-NH1 2.67Å; H335-R375 PolarHBondContact O-NH2 3.33Å
336	T	71.4	Confident	73.4	Confident	114 Å²	114	65.4 Å²	65.4	70%	0.699	35%	0.345	S	S	*	.			trans	-107.9	125.2	170.2	55	0	0	0	0	108.8	D334 S338	D334-T336 PolarHBondContact O-N 2.98Å; T336-S338 PolarHBondContact O-N 3.02Å
337	V	65.8	Low	72.2	Confident	62 Å²	62	71.5 Å²	71.5	38%	0.376	37%	0.374	S	S	.	.			trans	-69.8	113.7	173.1	-176.9	0	0	0	0	107.5
338	S	58.6	Low	71.2	Confident	52 Å²	52	70.9 Å²	70.9	36%	0.364	37%	0.373	S	S	.	.			trans	-78.8	123.6	179.6	24.2	0	0	0	0	110.6	T336 D340	T336-S338 PolarHBondContact O-N 3.02Å; S338-D340 PolarHBondContact O-N 2.89Å
339	F	51.5	Low	70.3	Confident	205 Å²	205	72.8 Å²	72.8	90%	0.899	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.3	179.1	-77.4	-88.6	0	0	0	114.3
340	D	45.9	Very low	69.5	Low	167 Å²	167	79 Å²	79	89%	0.893	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	13.1	-168	-71.4	-24.9	0	0	0	115.6	S338	S338-D340 PolarHBondContact O-N 2.89Å
341	G	51.1	Low	69	Low	25 Å²	25	80.7 Å²	80.7	26%	0.258	42%	0.424	S	S	.	.			trans	-143.9	76.1	-169.4	0	0	0	0	0	117.3	E343 C344 D345	G341-E343 PolarHBondContact O-N 2.84Å; G341-C344 PolarHBondContact O-N 3.18Å; G341-D345 PolarHBondContact O-N 3.1Å
342	E	53.1	Low	68.7	Low	155 Å²	155	80.7 Å²	80.7	72%	0.724	42%	0.424	S	S	*	.	H	α-helix	trans	-56.4	-22	177.4	-73.3	-169.1	174.7	0	0	115.4	K346	E342-K346 VanDerWaalsContact O-CD 3.32Å; E342-K346 WeakPolarHBondContact O-CD 3.37Å; E342-K346 WeakPolarHBondContact O-CE 3.35Å; E342-K346 VanDerWaalsContact O-CG 3.32Å; E342-K346 WeakPolarHBondContact O-CG 3.37Å
343	E	50.8	Low	68.2	Low	169 Å²	169	85.3 Å²	85.3	79%	0.79	45%	0.447	S	S	*	.	H	α-helix	trans	-85.5	-34.9	178.6	-70.4	-170.9	159.4	0	0	113.3	G341 K346 E347	G341-E343 PolarHBondContact O-N 2.84Å; E343-K346 PolarHBondContact O-N 2.92Å; E343-E347 PolarHBondContact O-N 3.16Å
344	C	50.8	Low	68.1	Low	75 Å²	75	90.3 Å²	90.3	51%	0.507	47%	0.465	S	S	.	.	H	α-helix	trans	-71.5	-34.2	-178.5	-168.5	0	0	0	0	112.1	G341 S348	G341-C344 PolarHBondContact O-N 3.18Å; C344-S348 WeakPolarHBondContact O-CB 3.22Å; C344-S348 PolarHBondContact O-N 3.32Å; C344-S348 PolarHBondContact O-OG 3.33Å
345	D	62.7	Low	68.3	Low	44 Å²	44	86.8 Å²	86.8	24%	0.235	45%	0.446	C	S	.	.	H	α-helix	trans	-70.1	-35.8	177.1	-72.9	-9	0	0	0	111.8	G341 E347 S348 D349	G341-D345 PolarHBondContact O-N 3.1Å; D345-E347 PolarHBondContact O-N 3.24Å; D345-S348 PolarHBondContact O-N 3.44Å; D345-D349 WeakPolarHBondContact O-CB 3.25Å; D345-D349 PolarHBondContact O-N 3.05Å
346	K	67.9	Low	68.8	Low	130 Å²	130	86.2 Å²	86.2	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-66.6	-38.4	178.6	-73	171.9	-170.7	162.2	0	113	E342 E343 K350	E342-K346 VanDerWaalsContact O-CD 3.32Å; E342-K346 WeakPolarHBondContact O-CD 3.37Å; E342-K346 WeakPolarHBondContact O-CE 3.35Å; E342-K346 VanDerWaalsContact O-CG 3.32Å; E342-K346 WeakPolarHBondContact O-CG 3.37Å; E343-K346 PolarHBondContact O-N 2.92Å; K346-K350 WeakPolarHBondContact O-CB 3.27Å; K346-K350 PolarHBondContact O-N 3.34Å; K346-K350 VanDerWaalsContact O-N 3.15Å
347	E	72.8	Confident	69.3	Low	140 Å²	140	83.6 Å²	83.6	65%	0.654	43%	0.427	S	S	*	.	H	α-helix	trans	-72.3	-40.7	177.4	-171.6	167.5	-155.2	0	0	111.6	E343 D345 K350 A351	E343-E347 PolarHBondContact O-N 3.16Å; D345-E347 PolarHBondContact O-N 3.24Å; E347-K350 PolarHBondContact O-N 3.36Å; E347-A351 WeakPolarHBondContact O-CB 3.48Å; E347-A351 PolarHBondContact O-N 2.91Å
348	S	74.1	Confident	69.3	Low	8 Å²	8	87.9 Å²	87.9	6%	0.056	45%	0.448	C	S	.	.	H	α-helix	trans	-60.6	-45.8	174.7	-61.9	0	0	0	0	111.9	C344 D345 K350 A351 F352	C344-S348 WeakPolarHBondContact O-CB 3.22Å; C344-S348 PolarHBondContact O-N 3.32Å; C344-S348 PolarHBondContact O-OG 3.33Å; D345-S348 PolarHBondContact O-N 3.44Å; S348-K350 PolarHBondContact O-N 3.24Å; S348-A351 PolarHBondContact O-N 2.93Å; S348-F352 WeakPolarHBondContact O-CB 3.48Å; S348-F352 PolarHBondContact O-N 2.98Å
349	D	76.6	Confident	69.7	Low	41 Å²	41	89.5 Å²	89.5	22%	0.219	45%	0.451	C	S	.	.	H	α-helix	trans	-59.7	-45	174.8	-85.6	-14.2	0	0	0	112	D345 F352 L353 L369	D345-D349 WeakPolarHBondContact O-CB 3.25Å; D345-D349 PolarHBondContact O-N 3.05Å; D349-F352 PolarHBondContact O-N 3.46Å; D349-L353 WeakPolarHBondContact O-CB 3.44Å; D349-L353 VanDerWaalsContact O-CG 3.27Å; D349-L353 WeakPolarHBondContact O-CG 3.46Å; D349-L353 PolarHBondContact O-N 3.15Å; D349-L369 WeakPolarHBondContact OD1-CD1 3.29Å
350	K	79.2	Confident	69.5	Low	131 Å²	131	83.7 Å²	83.7	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-65.9	-39.2	179.5	-174	-179.3	179.3	-176.4	0	112.3	K346 E347 S348	K346-K350 WeakPolarHBondContact O-CB 3.27Å; K346-K350 PolarHBondContact O-N 3.34Å; K346-K350 VanDerWaalsContact O-N 3.15Å; E347-K350 PolarHBondContact O-N 3.36Å; S348-K350 PolarHBondContact O-N 3.24Å
351	A	81.9	Confident	69.5	Low	37 Å²	37	81.3 Å²	81.3	31%	0.306	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-45.2	175.2	0	0	0	0	0	110.7	L276 E347 S348 L353 K354 F355	L276-A351 HydrophobicContact CD1-CB 4.33Å; E347-A351 WeakPolarHBondContact O-CB 3.48Å; E347-A351 PolarHBondContact O-N 2.91Å; S348-A351 PolarHBondContact O-N 2.93Å; A351-L353 PolarHBondContact O-N 2.99Å; A351-K354 PolarHBondContact O-N 3.04Å; A351-F355 PolarHBondContact O-N 2.95Å
352	F	85.1	Confident	69.4	Low	1 Å²	1	84.2 Å²	84.2	0%	0.004	47%	0.467	C	S	.	.	H	α-helix	trans	-66.9	-36.3	179.9	-167.6	-122.1	0	0	0	113.1	F272 L276 L332 S348 D349 K354 F355 Y356 L365 L369 L378	F272-F352 HydrophobicContact CE1-CB 4.16Å; F272-F352 HydrophobicContact CZ-CB 4.08Å; F272-F352 AromaticContact CZ-CD2 3.78Å; F272-F352 HydrophobicContact CZ-CD2 3.78Å; F272-F352 HydrophobicContact CZ-CE2 4.46Å; F272-F352 HydrophobicContact CZ-CG 4.05Å; L276-F352 HydrophobicContact CD1-CB 4.34Å; L276-F352 HydrophobicContact CD1-CD2 4.21Å; L276-F352 HydrophobicContact CD2-CD2 4.39Å; L332-F352 HydrophobicContact CD2-CE2 3.79Å; L332-F352 HydrophobicContact CD2-CZ 3.74Å; S348-F352 WeakPolarHBondContact O-CB 3.48Å; S348-F352 PolarHBondContact O-N 2.98Å; D349-F352 PolarHBondContact O-N 3.46Å; F352-K354 PolarHBondContact O-N 3.08Å; F352-F355 HydrophobicContact CD2-CB 4.39Å; F352-F355 HydrophobicContact CD2-CD1 4.42Å; F352-F355 HydrophobicContact CE2-CD1 4.4Å; F352-F355 WeakPolarHBondContact O-CB 3.4Å; F352-F355 PolarHBondContact O-N 3.17Å; F352-F355 VanDerWaalsContact O-N 3.08Å; F352-Y356 HydrophobicContact CD2-CE2 4.46Å; F352-Y356 AromaticContact CE2-CE2 3.7Å; F352-Y356 HydrophobicContact CE2-CE2 3.7Å; F352-Y356 AromaticContact CZ-CE2 3.79Å; F352-Y356 HydrophobicContact CZ-CE2 3.79Å; F352-L365 HydrophobicContact CD1-CB 3.86Å; F352-L365 HydrophobicContact CD1-CD1 4.24Å; F352-L365 HydrophobicContact CD1-CD2 4.23Å; F352-L365 HydrophobicContact CD1-CG 4.36Å; F352-L365 HydrophobicContact CE1-CB 3.92Å; F352-L365 HydrophobicContact CE1-CD1 4.46Å; F352-L365 HydrophobicContact CE1-CD2 3.63Å; F352-L365 HydrophobicContact CE1-CG 4.22Å; F352-L365 HydrophobicContact CZ-CD2 4.13Å; F352-L365 WeakPolarHBondContact O-CD1 3.26Å; F352-L369 HydrophobicContact CB-CD1 3.69Å; F352-L369 HydrophobicContact CD1-CD1 3.34Å; F352-L369 HydrophobicContact CD1-CD2 3.74Å; F352-L369 HydrophobicContact CD1-CG 3.4Å; F352-L369 HydrophobicContact CD2-CD2 4.36Å; F352-L369 HydrophobicContact CE1-CD1 4.1Å; F352-L369 HydrophobicContact CE1-CD2 3.74Å; F352-L369 HydrophobicContact CE1-CG 3.61Å; F352-L369 HydrophobicContact CE2-CD2 4.38Å; F352-L369 HydrophobicContact CG-CD1 3.69Å; F352-L369 HydrophobicContact CG-CD2 4.06Å; F352-L369 HydrophobicContact CG-CG 4.06Å; F352-L369 HydrophobicContact CZ-CD2 4.08Å; F352-L369 HydrophobicContact CZ-CG 4.44Å; F352-L378 HydrophobicContact CZ-CD2 3.99Å
353	L	81.3	Confident	69.6	Low	97 Å²	97	82.4 Å²	82.4	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-58.9	-30.9	174.1	-79.1	166.2	0	0	0	113.7	D349 A351 L365	D349-L353 WeakPolarHBondContact O-CB 3.44Å; D349-L353 VanDerWaalsContact O-CG 3.27Å; D349-L353 WeakPolarHBondContact O-CG 3.46Å; D349-L353 PolarHBondContact O-N 3.15Å; A351-L353 PolarHBondContact O-N 2.99Å; L353-L365 HydrophobicContact CD2-CB 4.14Å; L353-L365 HydrophobicContact CD2-CD1 3.98Å
354	K	84.6	Confident	70.4	Confident	142 Å²	142	78.2 Å²	78.2	62%	0.617	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	0.9	179.3	-64	-178.4	180	-174.3	0	113.3	A351 F352	A351-K354 PolarHBondContact O-N 3.04Å; F352-K354 PolarHBondContact O-N 3.08Å
355	F	89.1	Confident	71.5	Confident	1 Å²	1	75.2 Å²	75.2	0%	0.004	42%	0.424	C	S	.	.	S	Bend	trans	-78.4	-25.1	-169.5	-175.8	-110	0	0	0	113.5	L276 A279 Q280 A328 A351 F352 I442 Q443	L276-F355 HydrophobicContact CB-CD2 4.16Å; L276-F355 HydrophobicContact CB-CE2 4.11Å; L276-F355 HydrophobicContact CD1-CD2 4.48Å; L276-F355 HydrophobicContact CD2-CD1 4.15Å; L276-F355 HydrophobicContact CD2-CD2 3.88Å; L276-F355 HydrophobicContact CD2-CE1 4.02Å; L276-F355 HydrophobicContact CD2-CE2 3.73Å; L276-F355 HydrophobicContact CD2-CG 4.09Å; L276-F355 HydrophobicContact CD2-CZ 3.8Å; L276-F355 HydrophobicContact CG-CD2 4.4Å; L276-F355 HydrophobicContact CG-CE2 4.45Å; A279-F355 HydrophobicContact CB-CE2 3.81Å; A279-F355 HydrophobicContact CB-CZ 3.68Å; Q280-F355 HydrophobicContact CG-CD2 3.73Å; Q280-F355 HydrophobicContact CG-CE2 3.67Å; A328-F355 HydrophobicContact CB-CE1 3.81Å; A328-F355 HydrophobicContact CB-CZ 3.67Å; A351-F355 PolarHBondContact O-N 2.95Å; F352-F355 HydrophobicContact CD2-CB 4.39Å; F352-F355 HydrophobicContact CD2-CD1 4.42Å; F352-F355 HydrophobicContact CE2-CD1 4.4Å; F352-F355 WeakPolarHBondContact O-CB 3.4Å; F352-F355 PolarHBondContact O-N 3.17Å; F352-F355 VanDerWaalsContact O-N 3.08Å; F355-I442 HydrophobicContact CD2-CG2 4.31Å; F355-I442 HydrophobicContact CE1-CB 4.5Å; F355-I442 HydrophobicContact CE1-CD1 4.24Å; F355-I442 HydrophobicContact CE1-CG1 3.8Å; F355-I442 HydrophobicContact CE1-CG2 4.12Å; F355-I442 HydrophobicContact CE2-CG2 3.69Å; F355-I442 HydrophobicContact CZ-CB 4.33Å; F355-I442 HydrophobicContact CZ-CD1 3.96Å; F355-I442 HydrophobicContact CZ-CG1 3.86Å; F355-I442 HydrophobicContact CZ-CG2 3.58Å; F355-Q443 WeakPolarHBondContact O-CB 3.45Å; F355-Q443 PolarHBondContact O-N 2.92Å
356	Y	90.1	Very high	72	Confident	14 Å²	14	74.7 Å²	74.7	6%	0.055	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-112.5	148.1	-176.7	-61.3	-65.6	0	0	0	113.6	F352 N358 I359 L365 H382 P440 E441 I442	F352-Y356 HydrophobicContact CD2-CE2 4.46Å; F352-Y356 AromaticContact CE2-CE2 3.7Å; F352-Y356 HydrophobicContact CE2-CE2 3.7Å; F352-Y356 AromaticContact CZ-CE2 3.79Å; F352-Y356 HydrophobicContact CZ-CE2 3.79Å; Y356-N358 PolarHBondContact O-N 3.33Å; Y356-I359 HydrophobicContact CD2-CD1 4.1Å; Y356-L365 HydrophobicContact CD2-CD1 4.42Å; Y356-L365 HydrophobicContact CD2-CD2 4.15Å; Y356-L365 HydrophobicContact CE2-CD2 4.15Å; Y356-H382 AromaticContact CE1-CE1 3.61Å; Y356-H382 AromaticContact CE1-NE2 3.35Å; Y356-H382 VanDerWaalsContact CE1-NE2 3.35Å; Y356-H382 WeakPolarHBondContact CE1-NE2 3.44Å; Y356-H382 AromaticContact CZ-NE2 3.44Å; Y356-H382 PolarHBondContact OH-NE2 3.47Å; Y356-P440 HydrophobicContact CD1-CB 3.63Å; Y356-P440 HydrophobicContact CD1-CG 4.44Å; Y356-P440 HydrophobicContact CE1-CB 3.91Å; Y356-P440 HydrophobicContact CE1-CG 4.33Å; Y356-P440 HydrophobicContact CG-CB 3.98Å; Y356-E441 CarbonylContact C-O 3.5Å; Y356-E441 VanDerWaalsContact CA-O 3.24Å; Y356-E441 WeakPolarHBondContact CA-O 3.41Å; Y356-I442 HydrophobicContact CD1-CG1 4.47Å; Y356-I442 HydrophobicContact CE1-CG1 4.26Å
357	V	82.2	Confident	72.4	Confident	60 Å²	60	72.8 Å²	72.8	36%	0.364	42%	0.417	S	S	.	.	S	Bend	trans	-77.6	102.3	175	-173	0	0	0	0	109	E441 Q443	V357-E441 HydrophobicContact CB-CB 4.2Å; V357-E441 HydrophobicContact CB-CG 4.32Å; V357-E441 HydrophobicContact CG2-CB 4.29Å; V357-E441 HydrophobicContact CG2-CG 4Å; V357-E441 PolarHBondContact N-O 2.96Å; V357-Q443 HydrophobicContact CG2-CB 4.06Å
358	N	67.3	Low	72.9	Confident	151 Å²	151	67.2 Å²	67.2	81%	0.807	39%	0.391	S	S	*	.			trans	54.1	92.9	174.4	-63.8	-32.3	0	0	0	115.4	Y356 A360	Y356-N358 PolarHBondContact O-N 3.33Å; N358-A360 PolarHBondContact O-N 3.43Å
359	I	65.6	Low	73.2	Confident	86 Å²	86	67.1 Å²	67.1	44%	0.441	39%	0.39	S	S	.	.			trans	-80.3	105.8	174.1	-62.7	164.4	0	0	0	109.1	Y356 L365	Y356-I359 HydrophobicContact CD2-CD1 4.1Å; I359-L365 HydrophobicContact CD1-CD1 3.06Å; I359-L365 HydrophobicContact CD1-CD2 3.67Å; I359-L365 HydrophobicContact CD1-CG 3.42Å; I359-L365 VanDerWaalsContact CD1-CG 3.42Å
360	A	47.8	Very low	73.4	Confident	84 Å²	84	71.5 Å²	71.5	69%	0.694	41%	0.409	S	S	*	.			trans	-80.7	119.8	169.6	0	0	0	0	0	110.2	N358	N358-A360 PolarHBondContact O-N 3.43Å
361	S	46.5	Very low	73.7	Confident	117 Å²	117	67.6 Å²	67.6	82%	0.818	39%	0.394	S	S	*	.	S	Bend	trans	66.4	115.8	156.1	45.2	0	0	0	0	120.3
362	G	48.3	Very low	73.9	Confident	85 Å²	85	70 Å²	70	88%	0.876	41%	0.407	S	S	*	.	S	Bend	trans	121	-45.4	134.8	0	0	0	0	0	117.3
363	Q	57.2	Low	73.9	Confident	118 Å²	118	74.6 Å²	74.6	55%	0.551	43%	0.428	S	S	*	.			trans	-117.4	131.3	-176.5	-65.6	-177.5	0.1	0	0	110.3	L365	Q363-L365 PolarHBondContact O-N 3.48Å
364	T	68.2	Low	74.2	Confident	81 Å²	81	73.3 Å²	73.3	50%	0.497	42%	0.419	S	S	.	.			trans	-69.7	123.9	175.6	34.5	0	0	0	0	108.5	S366 Q367 I368	T364-S366 PolarHBondContact O-N 3.49Å; T364-Q367 WeakPolarHBondContact O-CA 3.47Å; T364-Q367 VanDerWaalsContact O-CB 3.27Å; T364-Q367 WeakPolarHBondContact O-CB 3.32Å; T364-Q367 PolarHBondContact O-N 3.19Å; T364-Q367 WeakPolarHBondContact OG1-CG 3.18Å; T364-Q367 PolarHBondContact OG1-NE2 3.46Å; T364-Q367 PolarHBondContact OG1-OE1 2.91Å; T364-I368 PolarHBondContact O-N 3.41Å
365	L	73.4	Confident	74.4	Confident	12 Å²	12	67.6 Å²	67.6	6%	0.063	39%	0.394	C	S	.	.	H	α-helix	trans	-48.8	-31.6	177.7	-79.3	177.3	0	0	0	113.5	F352 L353 Y356 I359 Q363 Q367 I368 L369	F352-L365 HydrophobicContact CD1-CB 3.86Å; F352-L365 HydrophobicContact CD1-CD1 4.24Å; F352-L365 HydrophobicContact CD1-CD2 4.23Å; F352-L365 HydrophobicContact CD1-CG 4.36Å; F352-L365 HydrophobicContact CE1-CB 3.92Å; F352-L365 HydrophobicContact CE1-CD1 4.46Å; F352-L365 HydrophobicContact CE1-CD2 3.63Å; F352-L365 HydrophobicContact CE1-CG 4.22Å; F352-L365 HydrophobicContact CZ-CD2 4.13Å; F352-L365 WeakPolarHBondContact O-CD1 3.26Å; L353-L365 HydrophobicContact CD2-CB 4.14Å; L353-L365 HydrophobicContact CD2-CD1 3.98Å; Y356-L365 HydrophobicContact CD2-CD1 4.42Å; Y356-L365 HydrophobicContact CD2-CD2 4.15Å; Y356-L365 HydrophobicContact CE2-CD2 4.15Å; I359-L365 HydrophobicContact CD1-CD1 3.06Å; I359-L365 HydrophobicContact CD1-CD2 3.67Å; I359-L365 HydrophobicContact CD1-CG 3.42Å; I359-L365 VanDerWaalsContact CD1-CG 3.42Å; Q363-L365 PolarHBondContact O-N 3.48Å; L365-Q367 VanDerWaalsContact C-N 3.31Å; L365-Q367 PolarHBondContact O-N 3.45Å; L365-I368 HydrophobicContact CD2-CD1 4.29Å; L365-I368 WeakPolarHBondContact O-CA 3.31Å; L365-I368 WeakPolarHBondContact O-CB 3.31Å; L365-I368 PolarHBondContact O-N 3.1Å; L365-L369 PolarHBondContact O-N 3.21Å
366	S	73.1	Confident	74.4	Confident	32 Å²	32	68.6 Å²	68.6	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-60.4	-36.8	173.4	-52.6	0	0	0	0	112.8	T364 I368 L369 Q370	T364-S366 PolarHBondContact O-N 3.49Å; S366-I368 VanDerWaalsContact C-N 3.28Å; S366-I368 PolarHBondContact O-N 3.25Å; S366-L369 PolarHBondContact O-N 2.9Å; S366-Q370 WeakPolarHBondContact O-CG 3.42Å; S366-Q370 PolarHBondContact O-N 3.22Å; S366-Q370 VanDerWaalsContact O-N 3.1Å
367	Q	76.8	Confident	74.3	Confident	91 Å²	91	72.1 Å²	72.1	43%	0.425	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-32	172.8	-69.8	171	-7.2	0	0	112	T364 L365 D371	T364-Q367 WeakPolarHBondContact O-CA 3.47Å; T364-Q367 VanDerWaalsContact O-CB 3.27Å; T364-Q367 WeakPolarHBondContact O-CB 3.32Å; T364-Q367 PolarHBondContact O-N 3.19Å; T364-Q367 WeakPolarHBondContact OG1-CG 3.18Å; T364-Q367 PolarHBondContact OG1-NE2 3.46Å; T364-Q367 PolarHBondContact OG1-OE1 2.91Å; L365-Q367 VanDerWaalsContact C-N 3.31Å; L365-Q367 PolarHBondContact O-N 3.45Å; Q367-D371 WeakPolarHBondContact O-CB 3.33Å; Q367-D371 PolarHBondContact O-N 3.4Å
368	I	81.6	Confident	74.6	Confident	23 Å²	23	70.4 Å²	70.4	12%	0.118	40%	0.402	C	S	.	.	H	α-helix	trans	-67.3	-44.5	174.8	-63.3	178.8	0	0	0	109.1	T364 L365 S366 Q370 D371 K374 R375 L378	T364-I368 PolarHBondContact O-N 3.41Å; L365-I368 HydrophobicContact CD2-CD1 4.29Å; L365-I368 WeakPolarHBondContact O-CA 3.31Å; L365-I368 WeakPolarHBondContact O-CB 3.31Å; L365-I368 PolarHBondContact O-N 3.1Å; S366-I368 VanDerWaalsContact C-N 3.28Å; S366-I368 PolarHBondContact O-N 3.25Å; I368-Q370 VanDerWaalsContact C-N 3.34Å; I368-Q370 PolarHBondContact O-N 2.93Å; I368-D371 PolarHBondContact O-N 2.98Å; I368-D371 VanDerWaalsContact O-O 3.1Å; I368-K374 HydrophobicContact CB-CB 4.49Å; I368-K374 HydrophobicContact CG2-CB 4.14Å; I368-R375 WeakPolarHBondContact O-CG 3.15Å; I368-L378 HydrophobicContact CG2-CD2 3.91Å
369	L	80.5	Confident	75.8	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-36.4	179.9	-71.8	178.6	0	0	0	113.6	F272 L332 D349 F352 L365 S366 R375	F272-L369 HydrophobicContact CE1-CD1 4.44Å; F272-L369 HydrophobicContact CE1-CD2 4.47Å; F272-L369 HydrophobicContact CE2-CD2 3.88Å; F272-L369 HydrophobicContact CZ-CD1 4.23Å; F272-L369 HydrophobicContact CZ-CD2 3.58Å; L332-L369 HydrophobicContact CD2-CD2 4.1Å; D349-L369 WeakPolarHBondContact OD1-CD1 3.29Å; F352-L369 HydrophobicContact CB-CD1 3.69Å; F352-L369 HydrophobicContact CD1-CD1 3.34Å; F352-L369 HydrophobicContact CD1-CD2 3.74Å; F352-L369 HydrophobicContact CD1-CG 3.4Å; F352-L369 HydrophobicContact CD2-CD2 4.36Å; F352-L369 HydrophobicContact CE1-CD1 4.1Å; F352-L369 HydrophobicContact CE1-CD2 3.74Å; F352-L369 HydrophobicContact CE1-CG 3.61Å; F352-L369 HydrophobicContact CE2-CD2 4.38Å; F352-L369 HydrophobicContact CG-CD1 3.69Å; F352-L369 HydrophobicContact CG-CD2 4.06Å; F352-L369 HydrophobicContact CG-CG 4.06Å; F352-L369 HydrophobicContact CZ-CD2 4.08Å; F352-L369 HydrophobicContact CZ-CG 4.44Å; L365-L369 PolarHBondContact O-N 3.21Å; S366-L369 PolarHBondContact O-N 2.9Å; L369-R375 WeakPolarHBondContact O-CD 3.47Å; L369-R375 PolarHBondContact O-NE 2.98Å
370	Q	81.6	Confident	77.1	Confident	134 Å²	134	59.5 Å²	59.5	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-71.6	-28.9	179	-70.4	175.3	2.9	0	0	113.2	S366 I368 P372	S366-Q370 WeakPolarHBondContact O-CG 3.42Å; S366-Q370 PolarHBondContact O-N 3.22Å; S366-Q370 VanDerWaalsContact O-N 3.1Å; I368-Q370 VanDerWaalsContact C-N 3.34Å; I368-Q370 PolarHBondContact O-N 2.93Å; Q370-P372 WeakPolarHBondContact O-CD 3.4Å
371	D	85.4	Confident	79.2	Confident	48 Å²	48	55.7 Å²	55.7	26%	0.257	31%	0.312	S	S	.	.			trans	-96.9	111.1	-174.8	-177.6	-23.7	0	0	0	111.2	Q367 I368 E373 K374 R375	Q367-D371 WeakPolarHBondContact O-CB 3.33Å; Q367-D371 PolarHBondContact O-N 3.4Å; I368-D371 PolarHBondContact O-N 2.98Å; I368-D371 VanDerWaalsContact O-O 3.1Å; D371-E373 PolarHBondContact O-N 3.43Å; D371-E373 WeakPolarHBondContact OD1-CB 3.42Å; D371-E373 PolarHBondContact OD1-N 2.93Å; D371-K374 HydrophobicContact CB-CB 3.97Å; D371-K374 HydrophobicContact CB-CD 3.84Å; D371-K374 HydrophobicContact CB-CG 4Å; D371-K374 PolarHBondContact O-N 3.11Å; D371-K374 PolarHBondContact OD1-N 2.79Å; D371-K374 VanDerWaalsContact OD2-CD 3.28Å; D371-K374 WeakPolarHBondContact OD2-CD 3.33Å; D371-K374 WeakPolarHBondContact OD2-CE 3.35Å; D371-K374 WeakPolarHBondContact OD2-CG 3.49Å; D371-K374 IonicContact OD2-NZ 3.43Å; D371-K374 PolarHBondContact OD2-NZ 3.33Å; D371-R375 PolarHBondContact O-N 3.46Å
372	P	86.3	Confident	81.5	Confident	88 Å²	88	50.1 Å²	50.1	57%	0.571	27%	0.273	S	S	*	.	H	α-helix	trans	-63.1	-29.7	-176.6	26.5	-34.1	0	0	0	112.9	Q370 R376	Q370-P372 WeakPolarHBondContact O-CD 3.4Å; P372-R376 WeakPolarHBondContact O-CB 3.46Å; P372-R376 PolarHBondContact O-N 3.34Å
373	E	86.3	Confident	83.7	Confident	97 Å²	97	46 Å²	46	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-73.9	-40.7	178.3	-162.9	-169.2	143.1	0	0	111.1	D371 R376 K377	D371-E373 PolarHBondContact O-N 3.43Å; D371-E373 WeakPolarHBondContact OD1-CB 3.42Å; D371-E373 PolarHBondContact OD1-N 2.93Å; E373-R376 WeakPolarHBondContact O-CB 3.31Å; E373-R376 PolarHBondContact O-N 3.12Å; E373-K377 WeakPolarHBondContact O-CG 3.16Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE1-CE 3.4Å; E373-K377 IonicContact OE1-NZ 3.89Å; E373-K377 PolarHBondContact OE1-NZ 3.46Å
374	K	86.6	Confident	85.5	Confident	71 Å²	71	45.9 Å²	45.9	31%	0.309	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-41.3	174.6	-68.9	177.6	-170.2	155.3	0	112	I368 D371 R376 K377 L378	I368-K374 HydrophobicContact CB-CB 4.49Å; I368-K374 HydrophobicContact CG2-CB 4.14Å; D371-K374 HydrophobicContact CB-CB 3.97Å; D371-K374 HydrophobicContact CB-CD 3.84Å; D371-K374 HydrophobicContact CB-CG 4Å; D371-K374 PolarHBondContact O-N 3.11Å; D371-K374 PolarHBondContact OD1-N 2.79Å; D371-K374 VanDerWaalsContact OD2-CD 3.28Å; D371-K374 WeakPolarHBondContact OD2-CD 3.33Å; D371-K374 WeakPolarHBondContact OD2-CE 3.35Å; D371-K374 WeakPolarHBondContact OD2-CG 3.49Å; D371-K374 IonicContact OD2-NZ 3.43Å; D371-K374 PolarHBondContact OD2-NZ 3.33Å; K374-R376 VanDerWaalsContact C-N 3.34Å; K374-R376 PolarHBondContact O-N 2.84Å; K374-K377 PolarHBondContact O-N 2.93Å; K374-L378 WeakPolarHBondContact O-CB 3.36Å; K374-L378 PolarHBondContact O-N 3.43Å
375	R	88.3	Confident	86.8	Confident	22 Å²	22	43.4 Å²	43.4	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-45.7	172.4	-71	-165.4	-80.7	124	-8.5	111.7	L332 H335 I368 L369 D371 L378 G379	L332-R375 HydrophobicContact CD2-CG 4.46Å; L332-R375 PolarHBondContact O-NH1 3.3Å; H335-R375 PolarHBondContact O-NH1 2.67Å; H335-R375 PolarHBondContact O-NH2 3.33Å; I368-R375 WeakPolarHBondContact O-CG 3.15Å; L369-R375 WeakPolarHBondContact O-CD 3.47Å; L369-R375 PolarHBondContact O-NE 2.98Å; D371-R375 PolarHBondContact O-N 3.46Å; R375-L378 PolarHBondContact O-N 3.31Å; R375-G379 PolarHBondContact O-N 3.5Å
376	R	88.9	Confident	88	Confident	21 Å²	21	42.9 Å²	42.9	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-49.7	176.6	-173	-166	66.2	92.5	-1.1	111.3	P372 E373 K374 L378 G379 K380 L427 D432	P372-R376 WeakPolarHBondContact O-CB 3.46Å; P372-R376 PolarHBondContact O-N 3.34Å; E373-R376 WeakPolarHBondContact O-CB 3.31Å; E373-R376 PolarHBondContact O-N 3.12Å; K374-R376 VanDerWaalsContact C-N 3.34Å; K374-R376 PolarHBondContact O-N 2.84Å; R376-L378 PolarHBondContact O-N 3.23Å; R376-G379 PolarHBondContact O-N 3.46Å; R376-K380 WeakPolarHBondContact O-CB 3.47Å; R376-K380 PolarHBondContact O-N 3.14Å; R376-L427 HydrophobicContact CG-CD2 4.15Å; R376-L427 PolarHBondContact NH1-O 3.47Å; R376-D432 IonicContact CZ-OD1 2.74Å; R376-D432 IonicContact CZ-OD2 2.73Å; R376-D432 IonicContact NH1-OD1 3.88Å; R376-D432 PolarHBondContact NH1-OD1 3.44Å; R376-D432 IonicContact NH1-OD2 2.69Å; R376-D432 PolarHBondContact NH1-OD2 3.47Å; R376-D432 IonicContact NH2-OD1 3.38Å; R376-D432 PolarHBondContact NH2-OD1 2.96Å; R376-D432 IonicContact NH2-OD2 3.54Å
377	K	88.5	Confident	89.1	Confident	89 Å²	89	42 Å²	42	39%	0.387	20%	0.197	S	C	.	.	H	α-helix	trans	-59.6	-44.9	179.7	-78.3	173.5	166.5	164.2	0	111.9	E373 K374 K380 A381	E373-K377 WeakPolarHBondContact O-CG 3.16Å; E373-K377 PolarHBondContact O-N 2.89Å; E373-K377 WeakPolarHBondContact OE1-CE 3.4Å; E373-K377 IonicContact OE1-NZ 3.89Å; E373-K377 PolarHBondContact OE1-NZ 3.46Å; K374-K377 PolarHBondContact O-N 2.93Å; K377-K380 PolarHBondContact O-N 3.26Å; K377-A381 PolarHBondContact O-N 3.42Å
378	L	89.5	Confident	90.1	Very high	24 Å²	24	42 Å²	42	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-39.6	176.5	-176.5	59.9	0	0	0	112.6	L332 F352 I368 K374 R375 R376 A381 H382 P440	L332-L378 HydrophobicContact CD1-CB 4.16Å; L332-L378 HydrophobicContact CD1-CD2 3.86Å; L332-L378 HydrophobicContact CD1-CG 3.69Å; L332-L378 HydrophobicContact CD2-CD2 4.35Å; F352-L378 HydrophobicContact CZ-CD2 3.99Å; I368-L378 HydrophobicContact CG2-CD2 3.91Å; K374-L378 WeakPolarHBondContact O-CB 3.36Å; K374-L378 PolarHBondContact O-N 3.43Å; R375-L378 PolarHBondContact O-N 3.31Å; R376-L378 PolarHBondContact O-N 3.23Å; L378-A381 WeakPolarHBondContact O-CB 3.45Å; L378-A381 PolarHBondContact O-N 2.92Å; L378-H382 PolarHBondContact O-CD2 2.84Å; L378-H382 PolarHBondContact O-N 3.08Å; L378-P440 HydrophobicContact CD1-CG 4.18Å
379	G	91.9	Very high	90.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-43.4	173.6	0	0	0	0	0	112.1	A329 R375 R376 H382 L383	A329-G379 VanDerWaalsContact CB-O 3.31Å; A329-G379 WeakPolarHBondContact CB-O 3.19Å; R375-G379 PolarHBondContact O-N 3.5Å; R376-G379 PolarHBondContact O-N 3.46Å; G379-H382 PolarHBondContact O-N 3.12Å; G379-L383 PolarHBondContact O-N 3Å
380	K	92	Very high	91.7	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-42.9	174.9	-168.9	-179	-173.9	-170.7	0	111.8	R376 K377 H382 L383 R384 Y424 L427 D428 D432	R376-K380 WeakPolarHBondContact O-CB 3.47Å; R376-K380 PolarHBondContact O-N 3.14Å; K377-K380 PolarHBondContact O-N 3.26Å; K380-H382 VanDerWaalsContact C-N 3.34Å; K380-H382 PolarHBondContact O-N 3.01Å; K380-L383 PolarHBondContact O-N 3.27Å; K380-R384 PolarHBondContact O-N 3Å; K380-Y424 HydrophobicContact CD-CE2 4.44Å; K380-Y424 HydrophobicContact CG-CD2 4.04Å; K380-Y424 HydrophobicContact CG-CE2 3.67Å; K380-L427 HydrophobicContact CB-CD1 4.31Å; K380-L427 HydrophobicContact CG-CB 4.43Å; K380-D428 WeakPolarHBondContact CE-OD1 3.12Å; K380-D428 IonicContact NZ-OD1 3.81Å; K380-D428 PolarHBondContact NZ-OD1 3.44Å; K380-D432 IonicContact NZ-OD2 3.77Å; K380-D432 PolarHBondContact NZ-OD2 3.48Å
381	A	92.1	Very high	92.5	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-45.1	173.7	0	0	0	0	0	112	K377 L378 R384 R385 T436 A437 A439	K377-A381 PolarHBondContact O-N 3.42Å; L378-A381 WeakPolarHBondContact O-CB 3.45Å; L378-A381 PolarHBondContact O-N 2.92Å; A381-R384 PolarHBondContact O-N 3.35Å; A381-R385 PolarHBondContact O-N 3.49Å; A381-R385 VanDerWaalsContact O-N 3.09Å; A381-T436 HydrophobicContact CB-CG2 4.28Å; A381-A437 WeakPolarHBondContact CB-O 3.39Å; A381-A439 HydrophobicContact CB-CB 4.16Å
382	H	95.2	Very high	93.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-43	175.8	-84.2	-55	0	0	0	112.7	H325 A329 Y356 L378 G379 K380 R385 A386 P440	H325-H382 WeakPolarHBondContact CB-O 3.32Å; H325-H382 AromaticContact CE1-ND1 3.79Å; H325-H382 AromaticContact CG-ND1 3.92Å; H325-H382 AromaticContact ND1-CE1 3.57Å; H325-H382 AromaticContact ND1-ND1 2.96Å; H325-H382 PolarHBondContact ND1-ND1 3.2Å; A329-H382 HydrophobicContact CB-CB 3.86Å; Y356-H382 AromaticContact CE1-CE1 3.61Å; Y356-H382 AromaticContact CE1-NE2 3.35Å; Y356-H382 VanDerWaalsContact CE1-NE2 3.35Å; Y356-H382 WeakPolarHBondContact CE1-NE2 3.44Å; Y356-H382 AromaticContact CZ-NE2 3.44Å; Y356-H382 PolarHBondContact OH-NE2 3.47Å; L378-H382 PolarHBondContact O-CD2 2.84Å; L378-H382 PolarHBondContact O-N 3.08Å; G379-H382 PolarHBondContact O-N 3.12Å; K380-H382 VanDerWaalsContact C-N 3.34Å; K380-H382 PolarHBondContact O-N 3.01Å; H382-R385 CarbonylContact O-C 3.52Å; H382-R385 PolarHBondContact O-N 3.34Å; H382-A386 PolarHBondContact O-N 2.95Å; H382-P440 PolarHBondContact CE1-O 2.96Å
383	L	95.4	Very high	93.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176.2	-78.1	158	0	0	0	112.3	Y326 A329 G379 K380 R385 A386 V387 K423 Y424 L427	Y326-L383 HydrophobicContact CD2-CD2 4Å; Y326-L383 HydrophobicContact CE2-CD2 4.43Å; A329-L383 HydrophobicContact CB-CD1 3.93Å; A329-L383 HydrophobicContact CB-CD2 4.07Å; A329-L383 HydrophobicContact CB-CG 3.49Å; A329-L383 VanDerWaalsContact CB-CG 3.49Å; G379-L383 PolarHBondContact O-N 3Å; K380-L383 PolarHBondContact O-N 3.27Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 2.62Å; L383-A386 WeakPolarHBondContact O-CB 3.13Å; L383-A386 PolarHBondContact O-N 3.47Å; L383-A386 VanDerWaalsContact O-N 3.1Å; L383-V387 WeakPolarHBondContact O-CG2 3.44Å; L383-V387 PolarHBondContact O-N 3.43Å; L383-K423 HydrophobicContact CD1-CB 4.37Å; L383-K423 HydrophobicContact CD1-CG 3.96Å; L383-K423 HydrophobicContact CD2-CB 4.07Å; L383-K423 HydrophobicContact CD2-CG 4.25Å; L383-Y424 HydrophobicContact CB-CD2 3.92Å; L383-Y424 HydrophobicContact CB-CG 4.46Å; L383-L427 HydrophobicContact CD1-CD1 3.45Å; L383-L427 VanDerWaalsContact CD1-CD1 3.45Å; L383-L427 HydrophobicContact CD1-CG 4.44Å
384	R	94.4	Very high	94.1	Very high	114 Å²	114	37.4 Å²	37.4	43%	0.43	17%	0.165	S	C	.	.	H	α-helix	trans	-55.3	-46.1	172.9	-170.8	-175.2	173.9	-177	1.9	110.8	K380 A381 V387 M388 Y424	K380-R384 PolarHBondContact O-N 3Å; A381-R384 PolarHBondContact O-N 3.35Å; R384-V387 PolarHBondContact O-N 2.91Å; R384-M388 HydrophobicContact CG-CE 4.1Å; R384-M388 WeakPolarHBondContact O-CG 3.46Å; R384-M388 PolarHBondContact O-N 3.45Å; R384-M388 VanDerWaalsContact O-N 3.08Å; R384-Y424 HydrophobicContact CB-CD2 4.26Å; R384-Y424 HydrophobicContact CB-CE2 3.79Å; R384-Y424 HydrophobicContact CG-CE2 4.35Å
385	R	95.5	Very high	94.7	Very high	30 Å²	30	39.4 Å²	39.4	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-36.9	177.4	-166.4	164.4	177	-170.1	-6.6	112.5	H325 A381 H382 L383 M388 R389 A439 E441	H325-R385 VanDerWaalsContact NE2-CD 3.32Å; H325-R385 WeakPolarHBondContact NE2-CD 3.48Å; H325-R385 PolarHBondContact NE2-NE 3.07Å; H325-R385 VanDerWaalsContact NE2-NE 3.18Å; A381-R385 PolarHBondContact O-N 3.49Å; A381-R385 VanDerWaalsContact O-N 3.09Å; H382-R385 CarbonylContact O-C 3.52Å; H382-R385 PolarHBondContact O-N 3.34Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 2.62Å; R385-M388 HydrophobicContact CB-CE 4.45Å; R385-R389 WeakPolarHBondContact O-CB 3.37Å; R385-R389 WeakPolarHBondContact O-CG 3.38Å; R385-R389 PolarHBondContact O-N 2.75Å; R385-R389 VanDerWaalsContact O-N 3.12Å; R385-A439 HydrophobicContact CB-CB 4.08Å; R385-A439 PolarHBondContact NH1-O 2.98Å; R385-E441 IonicContact CZ-OE2 3.07Å; R385-E441 IonicContact NH1-OE2 2.86Å; R385-E441 PolarHBondContact NH1-OE2 2.95Å; R385-E441 IonicContact NH2-OE1 3.28Å; R385-E441 IonicContact NH2-OE2 2.64Å; R385-E441 PolarHBondContact NH2-OE2 3.46Å
386	A	97.6	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-45.1	174.4	0	0	0	0	0	112.1	A322 H325 H382 L383 R389 H390	A322-A386 VanDerWaalsContact CB-O 3.32Å; A322-A386 WeakPolarHBondContact CB-O 3.47Å; A322-A386 VanDerWaalsContact O-CB 3.31Å; A322-A386 WeakPolarHBondContact O-CB 3.45Å; H325-A386 HydrophobicContact CB-CB 3.96Å; H382-A386 PolarHBondContact O-N 2.95Å; L383-A386 WeakPolarHBondContact O-CB 3.13Å; L383-A386 PolarHBondContact O-N 3.47Å; L383-A386 VanDerWaalsContact O-N 3.1Å; A386-R389 PolarHBondContact O-N 3.13Å; A386-H390 PolarHBondContact O-N 3.28Å
387	V	97.3	Very high	95.3	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-53.3	176.7	172.2	0	0	0	0	110.5	L383 R384 R389 H390 E391 L421	L383-V387 WeakPolarHBondContact O-CG2 3.44Å; L383-V387 PolarHBondContact O-N 3.43Å; R384-V387 PolarHBondContact O-N 2.91Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 3.35Å; V387-H390 PolarHBondContact O-N 3.11Å; V387-H390 VanDerWaalsContact O-N 3.1Å; V387-E391 HydrophobicContact CG1-CG 4.41Å; V387-E391 WeakPolarHBondContact O-CG 3.43Å; V387-E391 PolarHBondContact O-N 3.36Å; V387-L421 HydrophobicContact CG1-CD1 4.45Å; V387-L421 HydrophobicContact CG2-CB 4.3Å; V387-L421 HydrophobicContact CG2-CD1 4.45Å
388	M	96.8	Very high	95.6	Very high	93 Å²	93	36.7 Å²	36.7	46%	0.458	17%	0.167	S	C	.	.	H	α-helix	trans	-57.1	-39.1	179.9	-69.3	-175.2	-65.5	0	0	112.9	R384 R385 E391 E392	R384-M388 HydrophobicContact CG-CE 4.1Å; R384-M388 WeakPolarHBondContact O-CG 3.46Å; R384-M388 PolarHBondContact O-N 3.45Å; R384-M388 VanDerWaalsContact O-N 3.08Å; R385-M388 HydrophobicContact CB-CE 4.45Å; M388-E391 PolarHBondContact O-N 3.19Å; M388-E392 PolarHBondContact O-N 3.3Å
389	R	97.9	Very high	95.9	Very high	82 Å²	82	40.8 Å²	40.8	31%	0.309	19%	0.189	S	C	.	.	H	α-helix	trans	-71.3	-37.7	178.6	-69	-74.4	173.9	179.3	0.1	112.3	E318 A322 R385 A386 V387 E392 A393	E318-R389 IonicContact OE1-NH1 3.62Å; E318-R389 PolarHBondContact OE1-NH1 2.91Å; E318-R389 WeakPolarHBondContact OE2-CD 3.41Å; E318-R389 IonicContact OE2-CZ 2.87Å; E318-R389 IonicContact OE2-NE 2.69Å; E318-R389 IonicContact OE2-NH1 2.85Å; E318-R389 PolarHBondContact OE2-NH1 2.9Å; A322-R389 HydrophobicContact CB-CB 3.67Å; R385-R389 WeakPolarHBondContact O-CB 3.37Å; R385-R389 WeakPolarHBondContact O-CG 3.38Å; R385-R389 PolarHBondContact O-N 2.75Å; R385-R389 VanDerWaalsContact O-N 3.12Å; A386-R389 PolarHBondContact O-N 3.13Å; V387-R389 VanDerWaalsContact C-N 3.27Å; V387-R389 PolarHBondContact O-N 3.35Å; R389-E392 PolarHBondContact O-N 3.17Å; R389-A393 PolarHBondContact O-N 2.71Å
390	H	97.9	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-41.5	172	-82.9	150.4	0	0	0	112.2	H319 A322 A386 V387 E392 A393 M394 T416 H417	H319-H390 AromaticContact CE1-NE2 3.72Å; H319-H390 AromaticContact ND1-CD2 3.5Å; H319-H390 AromaticContact ND1-NE2 3.23Å; H319-H390 PolarHBondContact ND1-NE2 2.86Å; A322-H390 HydrophobicContact CB-CB 4.28Å; A322-H390 WeakPolarHBondContact CB-CD2 3.46Å; A322-H390 VanDerWaalsContact CB-CG 3.47Å; A322-H390 WeakPolarHBondContact CB-NE2 3.29Å; A386-H390 PolarHBondContact O-N 3.28Å; V387-H390 PolarHBondContact O-N 3.11Å; V387-H390 VanDerWaalsContact O-N 3.1Å; H390-E392 VanDerWaalsContact C-N 3.3Å; H390-E392 PolarHBondContact O-N 3.44Å; H390-A393 WeakPolarHBondContact O-CB 3.34Å; H390-A393 PolarHBondContact O-N 3.43Å; H390-M394 WeakPolarHBondContact O-CG 3.36Å; H390-M394 PolarHBondContact O-N 3.17Å; H390-T416 VanDerWaalsContact CE1-CB 3.5Å; H390-T416 WeakPolarHBondContact CE1-CB 3.49Å; H390-T416 PolarHBondContact CE1-O 3.23Å; H390-T416 PolarHBondContact CE1-OG1 3.02Å; H390-T416 PolarHBondContact ND1-O 2.92Å; H390-T416 PolarHBondContact NE2-OG1 2.94Å; H390-H417 HydrophobicContact CB-CB 4.01Å
391	E	97.9	Very high	95.8	Very high	102 Å²	102	46.8 Å²	46.8	48%	0.477	22%	0.215	S	C	.	.	H	α-helix	trans	-60.3	-41.2	174.9	-70.6	177	152.2	0	0	111.4	V387 M388 M394 R395 H417	V387-E391 HydrophobicContact CG1-CG 4.41Å; V387-E391 WeakPolarHBondContact O-CG 3.43Å; V387-E391 PolarHBondContact O-N 3.36Å; M388-E391 PolarHBondContact O-N 3.19Å; E391-M394 PolarHBondContact O-N 3.31Å; E391-R395 WeakPolarHBondContact O-CB 3.38Å; E391-R395 PolarHBondContact O-N 2.95Å; E391-H417 IonicContact OE1-NE2 2.71Å
392	E	98	Very high	95.6	Very high	55 Å²	55	48.5 Å²	48.5	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-42.7	174.1	179.8	58.8	-167.3	0	0	112	E318 M388 R389 H390 M394 R395 V396	E318-E392 HydrophobicContact CG-CG 4.04Å; M388-E392 PolarHBondContact O-N 3.3Å; R389-E392 PolarHBondContact O-N 3.17Å; H390-E392 VanDerWaalsContact C-N 3.3Å; H390-E392 PolarHBondContact O-N 3.44Å; E392-M394 VanDerWaalsContact C-N 3.32Å; E392-M394 PolarHBondContact O-N 3.25Å; E392-R395 WeakPolarHBondContact O-CB 2.75Å; E392-R395 PolarHBondContact O-N 2.98Å; E392-R395 IonicContact OE1-CZ 2.66Å; E392-R395 IonicContact OE1-NE 3.3Å; E392-R395 PolarHBondContact OE1-NE 3.21Å; E392-R395 IonicContact OE1-NH2 3.34Å; E392-R395 PolarHBondContact OE1-NH2 3.09Å; E392-R395 IonicContact OE2-CZ 3.18Å; E392-R395 IonicContact OE2-NE 3.98Å; E392-R395 PolarHBondContact OE2-NE 2.86Å; E392-R395 IonicContact OE2-NH2 2.65Å; E392-V396 WeakPolarHBondContact O-CG2 3.46Å; E392-V396 PolarHBondContact O-N 3.43Å
393	A	97.8	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-44.1	173.8	0	0	0	0	0	111.5	V315 E318 H319 R389 H390 R395 V396 H397 L413	V315-A393 HydrophobicContact CG1-CB 4.42Å; E318-A393 HydrophobicContact CB-CB 3.85Å; H319-A393 HydrophobicContact CB-CB 4.36Å; R389-A393 PolarHBondContact O-N 2.71Å; H390-A393 WeakPolarHBondContact O-CB 3.34Å; H390-A393 PolarHBondContact O-N 3.43Å; A393-R395 VanDerWaalsContact C-N 3.35Å; A393-R395 PolarHBondContact O-N 3.37Å; A393-V396 PolarHBondContact O-N 3.25Å; A393-H397 VanDerWaalsContact O-CB 3.32Å; A393-H397 WeakPolarHBondContact O-CB 3.36Å; A393-H397 PolarHBondContact O-N 3.37Å; A393-L413 HydrophobicContact CB-CD2 4.09Å
394	M	97	Very high	95.1	Very high	58 Å²	58	54.2 Å²	54.2	29%	0.286	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-35.5	175.9	-70.3	177.8	68.7	0	0	112.4	H390 E391 E392 H397 S398 L413 H417	H390-M394 WeakPolarHBondContact O-CG 3.36Å; H390-M394 PolarHBondContact O-N 3.17Å; E391-M394 PolarHBondContact O-N 3.31Å; E392-M394 VanDerWaalsContact C-N 3.32Å; E392-M394 PolarHBondContact O-N 3.25Å; M394-H397 WeakPolarHBondContact O-CB 3.49Å; M394-S398 WeakPolarHBondContact O-CB 3.32Å; M394-S398 PolarHBondContact O-N 3.38Å; M394-S398 PolarHBondContact O-OG 3.28Å; M394-L413 HydrophobicContact CG-CB 3.93Å; M394-L413 HydrophobicContact CG-CD1 4.44Å; M394-H417 HydrophobicContact SD-CB 3.92Å
395	R	97.8	Very high	94.8	Very high	114 Å²	114	53.8 Å²	53.8	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-65.9	-46.7	174.9	-168.7	-164.2	69.4	74.9	5.3	111.5	E391 E392 A393 H397 S398 L399	E391-R395 WeakPolarHBondContact O-CB 3.38Å; E391-R395 PolarHBondContact O-N 2.95Å; E392-R395 WeakPolarHBondContact O-CB 2.75Å; E392-R395 PolarHBondContact O-N 2.98Å; E392-R395 IonicContact OE1-CZ 2.66Å; E392-R395 IonicContact OE1-NE 3.3Å; E392-R395 PolarHBondContact OE1-NE 3.21Å; E392-R395 IonicContact OE1-NH2 3.34Å; E392-R395 PolarHBondContact OE1-NH2 3.09Å; E392-R395 IonicContact OE2-CZ 3.18Å; E392-R395 IonicContact OE2-NE 3.98Å; E392-R395 PolarHBondContact OE2-NE 2.86Å; E392-R395 IonicContact OE2-NH2 2.65Å; A393-R395 VanDerWaalsContact C-N 3.35Å; A393-R395 PolarHBondContact O-N 3.37Å; R395-H397 VanDerWaalsContact C-N 3.35Å; R395-S398 PolarHBondContact O-N 3Å; R395-S398 PolarHBondContact O-OG 2.88Å; R395-L399 WeakPolarHBondContact O-CG 3.24Å; R395-L399 PolarHBondContact O-N 3.42Å
396	V	96	Very high	94.4	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176.5	178.4	0	0	0	0	110.6	Q314 V315 E392 A393 S398 L399	Q314-V396 HydrophobicContact CB-CG1 4.18Å; Q314-V396 HydrophobicContact CG-CG1 4.15Å; Q314-V396 HydrophobicContact CG-CG2 4.24Å; V315-V396 HydrophobicContact CG2-CB 3.88Å; V315-V396 HydrophobicContact CG2-CG1 3.73Å; E392-V396 WeakPolarHBondContact O-CG2 3.46Å; E392-V396 PolarHBondContact O-N 3.43Å; A393-V396 PolarHBondContact O-N 3.25Å; V396-S398 VanDerWaalsContact C-N 3.34Å; V396-S398 PolarHBondContact O-N 3.36Å; V396-L399 PolarHBondContact O-N 3.22Å
397	H	95.7	Very high	94	Very high	13 Å²	13	57.8 Å²	57.8	6%	0.06	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-48.1	172.9	163.5	-96.5	0	0	0	111.7	V315 A393 M394 R395 L399 C400 L403 L413	V315-H397 HydrophobicContact CG2-CB 4.07Å; A393-H397 VanDerWaalsContact O-CB 3.32Å; A393-H397 WeakPolarHBondContact O-CB 3.36Å; A393-H397 PolarHBondContact O-N 3.37Å; M394-H397 WeakPolarHBondContact O-CB 3.49Å; R395-H397 VanDerWaalsContact C-N 3.35Å; H397-L399 VanDerWaalsContact C-N 3.28Å; H397-L399 PolarHBondContact O-N 3.44Å; H397-C400 PolarHBondContact O-N 2.93Å; H397-L403 PolarHBondContact NE2-O 3.31Å; H397-L413 HydrophobicContact CB-CD1 3.91Å
398	S	94.7	Very high	93.6	Very high	56 Å²	56	60.3 Å²	60.3	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-68.8	-23.3	-176.4	77.4	0	0	0	0	113.5	M394 R395 V396 R404	M394-S398 WeakPolarHBondContact O-CB 3.32Å; M394-S398 PolarHBondContact O-N 3.38Å; M394-S398 PolarHBondContact O-OG 3.28Å; R395-S398 PolarHBondContact O-N 3Å; R395-S398 PolarHBondContact O-OG 2.88Å; V396-S398 VanDerWaalsContact C-N 3.34Å; V396-S398 PolarHBondContact O-N 3.36Å; S398-R404 WeakPolarHBondContact O-CD 3.35Å; S398-R404 PolarHBondContact O-NH1 2.9Å
399	L	94	Very high	93.4	Very high	109 Å²	109	56 Å²	56	57%	0.571	26%	0.26	S	S	*	.	H	α-helix	trans	-75.1	-25.8	174.8	-70.8	178.1	0	0	0	113.3	R395 V396 H397	R395-L399 WeakPolarHBondContact O-CG 3.24Å; R395-L399 PolarHBondContact O-N 3.42Å; V396-L399 PolarHBondContact O-N 3.22Å; H397-L399 VanDerWaalsContact C-N 3.28Å; H397-L399 PolarHBondContact O-N 3.44Å
400	C	92	Very high	93.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	27%	0.265	C	S	.	.			trans	-95.3	113.5	-176.3	-171.7	0	0	0	0	112.5	F307 H397 I402 L403 R404	F307-C400 HydrophobicContact CE1-CB 4.06Å; H397-C400 PolarHBondContact O-N 2.93Å; C400-I402 PolarHBondContact O-N 2.87Å; C400-I402 VanDerWaalsContact O-N 3.17Å; C400-L403 HydrophobicContact CB-CB 4.03Å; C400-L403 HydrophobicContact CB-CD1 3.89Å; C400-L403 HydrophobicContact CB-CG 3.78Å; C400-L403 PolarHBondContact O-N 3.46Å; C400-L403 VanDerWaalsContact O-N 3.15Å; C400-R404 WeakPolarHBondContact O-CG 3.38Å; C400-R404 PolarHBondContact O-N 3.4Å; C400-R404 VanDerWaalsContact O-N 3.08Å
401	K	89.9	Confident	92.8	Very high	132 Å²	132	59.8 Å²	59.8	57%	0.574	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36	-178.5	-176.9	-176	176.7	-170	0	113.7
402	I	88.1	Confident	92.6	Very high	41 Å²	41	55.4 Å²	55.4	21%	0.21	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-42.5	-179.1	-71.2	139.5	0	0	0	110.7	S90 C400 R404 K405	S90-I402 VanDerWaalsContact CB-CD1 3.41Å; C400-I402 PolarHBondContact O-N 2.87Å; C400-I402 VanDerWaalsContact O-N 3.17Å; I402-R404 VanDerWaalsContact C-N 3.33Å; I402-R404 PolarHBondContact O-N 2.93Å; I402-K405 PolarHBondContact O-N 3.3Å; I402-K405 VanDerWaalsContact O-N 3.17Å
403	L	90.5	Very high	92.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-65.7	-37.1	179.2	-59.3	-172.7	0	0	0	111.9	M92 M312 V315 H397 C400 K405 M406 L409	M92-L403 HydrophobicContact SD-CD2 4.26Å; M312-L403 HydrophobicContact CB-CD1 4.48Å; M312-L403 HydrophobicContact CB-CD2 4.15Å; M312-L403 HydrophobicContact CE-CD2 3.78Å; M312-L403 HydrophobicContact SD-CD2 4.5Å; V315-L403 HydrophobicContact CG2-CD1 4.17Å; H397-L403 PolarHBondContact NE2-O 3.31Å; C400-L403 HydrophobicContact CB-CB 4.03Å; C400-L403 HydrophobicContact CB-CD1 3.89Å; C400-L403 HydrophobicContact CB-CG 3.78Å; C400-L403 PolarHBondContact O-N 3.46Å; C400-L403 VanDerWaalsContact O-N 3.15Å; L403-K405 PolarHBondContact O-N 3.42Å; L403-M406 HydrophobicContact CD2-SD 4.11Å; L403-M406 WeakPolarHBondContact O-CB 3.41Å; L403-M406 PolarHBondContact O-N 2.9Å; L403-L409 HydrophobicContact CB-CD2 4.26Å; L403-L409 HydrophobicContact CD2-CD2 4.35Å
404	R	90.4	Very high	92.4	Very high	120 Å²	120	55.1 Å²	55.1	45%	0.453	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-59.4	-17.1	174.5	-69.7	-165	-57.1	-105.2	5.3	115.1	S398 C400 I402 M406	S398-R404 WeakPolarHBondContact O-CD 3.35Å; S398-R404 PolarHBondContact O-NH1 2.9Å; C400-R404 WeakPolarHBondContact O-CG 3.38Å; C400-R404 PolarHBondContact O-N 3.4Å; C400-R404 VanDerWaalsContact O-N 3.08Å; I402-R404 VanDerWaalsContact C-N 3.33Å; I402-R404 PolarHBondContact O-N 2.93Å; R404-M406 VanDerWaalsContact C-N 3.3Å
405	K	88	Confident	92.3	Very high	105 Å²	105	57.1 Å²	57.1	46%	0.457	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-86.7	-3.6	175.9	-63.2	177.9	-178.8	178.5	0	112.2	E87 I402 L403	E87-K405 IonicContact OE1-NZ 2.87Å; E87-K405 PolarHBondContact OE1-NZ 3.11Å; I402-K405 PolarHBondContact O-N 3.3Å; I402-K405 VanDerWaalsContact O-N 3.17Å; L403-K405 PolarHBondContact O-N 3.42Å
406	M	87.4	Confident	92.2	Very high	9 Å²	9	53 Å²	53	4%	0.044	26%	0.264	C	S	.	.			trans	-100.9	89.6	-175.8	-56.6	-174.5	80.6	0	0	110.2	M92 E93 P105 M312 L403 R404 I408 L409 Q410	M92-M406 HydrophobicContact CB-CE 4.42Å; M92-M406 HydrophobicContact CG-CE 3.59Å; M92-M406 HydrophobicContact CG-SD 3.71Å; M92-M406 HydrophobicContact SD-CE 3.72Å; M92-M406 HydrophobicContact SD-SD 3.47Å; E93-M406 HydrophobicContact CB-CE 4.43Å; P105-M406 HydrophobicContact CB-CE 3.53Å; P105-M406 HydrophobicContact CG-CE 3.57Å; M312-M406 HydrophobicContact CE-CE 4.38Å; M312-M406 HydrophobicContact CE-SD 3.93Å; L403-M406 HydrophobicContact CD2-SD 4.11Å; L403-M406 WeakPolarHBondContact O-CB 3.41Å; L403-M406 PolarHBondContact O-N 2.9Å; R404-M406 VanDerWaalsContact C-N 3.3Å; M406-I408 VanDerWaalsContact C-N 3.28Å; M406-I408 PolarHBondContact O-N 2.87Å; M406-L409 HydrophobicContact CB-CB 4.09Å; M406-L409 PolarHBondContact O-N 3.34Å; M406-L409 VanDerWaalsContact O-N 3.07Å; M406-Q410 PolarHBondContact O-N 2.91Å
407	D	88.3	Confident	92.2	Very high	105 Å²	105	54.1 Å²	54.1	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-56.5	-42.1	-175.4	-61.6	-28.6	0	0	0	112.1	L409 Q410 D411	D407-L409 VanDerWaalsContact C-N 3.3Å; D407-L409 PolarHBondContact O-N 3.03Å; D407-Q410 WeakPolarHBondContact O-CB 3.46Å; D407-Q410 PolarHBondContact O-N 3.41Å; D407-Q410 VanDerWaalsContact O-N 3.12Å; D407-D411 PolarHBondContact O-N 3.34Å
408	I	89.2	Confident	92.3	Very high	66 Å²	66	59.3 Å²	59.3	34%	0.338	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-42.1	178.3	-58.7	173.7	0	0	0	111.7	S103 M406 D411 V412	S103-I408 WeakPolarHBondContact O-CG2 3.5Å; M406-I408 VanDerWaalsContact C-N 3.28Å; M406-I408 PolarHBondContact O-N 2.87Å; I408-D411 PolarHBondContact O-N 3.37Å; I408-V412 VanDerWaalsContact O-CG2 3.25Å; I408-V412 WeakPolarHBondContact O-CG2 3.13Å; I408-V412 PolarHBondContact O-N 3.42Å
409	L	91.8	Very high	92.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-67	-43.3	179.5	176.1	62.7	0	0	0	110.7	V104 P105 M312 V315 L403 M406 D407 D411 V412 L413	V104-L409 HydrophobicContact CG1-CD1 4.01Å; P105-L409 HydrophobicContact CG-CB 4.37Å; M312-L409 HydrophobicContact CE-CD2 3.85Å; M312-L409 HydrophobicContact SD-CD1 4.48Å; M312-L409 HydrophobicContact SD-CD2 4.02Å; V315-L409 HydrophobicContact CG1-CD1 4.27Å; L403-L409 HydrophobicContact CB-CD2 4.26Å; L403-L409 HydrophobicContact CD2-CD2 4.35Å; M406-L409 HydrophobicContact CB-CB 4.09Å; M406-L409 PolarHBondContact O-N 3.34Å; M406-L409 VanDerWaalsContact O-N 3.07Å; D407-L409 VanDerWaalsContact C-N 3.3Å; D407-L409 PolarHBondContact O-N 3.03Å; L409-D411 VanDerWaalsContact C-N 3.32Å; L409-D411 PolarHBondContact O-N 3.01Å; L409-V412 PolarHBondContact O-N 2.81Å; L409-L413 HydrophobicContact CD1-CD1 4.16Å; L409-L413 HydrophobicContact CD1-CG 4.24Å; L409-L413 HydrophobicContact CG-CD1 4.16Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.25Å; L409-L413 PolarHBondContact O-N 3.46Å; L409-L413 VanDerWaalsContact O-N 3.1Å
410	Q	92.6	Very high	92.4	Very high	85 Å²	85	57.7 Å²	57.7	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-42.3	176.4	179	170.6	-13.7	0	0	111.3	M406 D407 L413 C414	M406-Q410 PolarHBondContact O-N 2.91Å; D407-Q410 WeakPolarHBondContact O-CB 3.46Å; D407-Q410 PolarHBondContact O-N 3.41Å; D407-Q410 VanDerWaalsContact O-N 3.12Å; Q410-L413 PolarHBondContact O-N 3.21Å; Q410-C414 VanDerWaalsContact O-CB 3.31Å; Q410-C414 WeakPolarHBondContact O-CB 3.3Å; Q410-C414 PolarHBondContact O-N 2.94Å; Q410-C414 PolarHBondContact O-SG 2.94Å
411	D	92.4	Very high	92.6	Very high	78 Å²	78	60.5 Å²	60.5	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-46.2	178.8	-74.3	-17.8	0	0	0	112	D407 I408 L409 L413 C414 Q415	D407-D411 PolarHBondContact O-N 3.34Å; I408-D411 PolarHBondContact O-N 3.37Å; L409-D411 VanDerWaalsContact C-N 3.32Å; L409-D411 PolarHBondContact O-N 3.01Å; D411-L413 PolarHBondContact O-N 3.25Å; D411-C414 PolarHBondContact O-N 3.12Å; D411-Q415 VanDerWaalsContact O-CB 3.31Å; D411-Q415 WeakPolarHBondContact O-CB 3.43Å; D411-Q415 WeakPolarHBondContact O-CG 3.43Å; D411-Q415 PolarHBondContact O-N 3.05Å
412	V	93.4	Very high	92.9	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-54.5	-53.8	174.4	174.5	0	0	0	0	110	I102 V104 I408 L409 C414 Q415 T416	I102-V412 HydrophobicContact CG2-CB 4.32Å; I102-V412 HydrophobicContact CG2-CG2 3.4Å; V104-V412 HydrophobicContact CG2-CG1 3.85Å; V104-V412 HydrophobicContact CG2-CG2 4.48Å; I408-V412 VanDerWaalsContact O-CG2 3.25Å; I408-V412 WeakPolarHBondContact O-CG2 3.13Å; I408-V412 PolarHBondContact O-N 3.42Å; L409-V412 PolarHBondContact O-N 2.81Å; V412-C414 PolarHBondContact O-N 2.84Å; V412-Q415 PolarHBondContact O-N 2.99Å; V412-T416 HydrophobicContact CG1-CG2 4.45Å; V412-T416 WeakPolarHBondContact O-CG2 3.4Å; V412-T416 PolarHBondContact O-N 2.86Å; V412-T416 PolarHBondContact O-OG1 3.45Å
413	L	95.6	Very high	93.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-43.2	-175.4	-67.2	175.3	0	0	0	112	V315 H319 A393 M394 H397 L409 Q410 D411 T416 H417	V315-L413 HydrophobicContact CG1-CD1 3.89Å; V315-L413 HydrophobicContact CG1-CD2 4.17Å; H319-L413 HydrophobicContact CB-CD2 4.01Å; A393-L413 HydrophobicContact CB-CD2 4.09Å; M394-L413 HydrophobicContact CG-CB 3.93Å; M394-L413 HydrophobicContact CG-CD1 4.44Å; H397-L413 HydrophobicContact CB-CD1 3.91Å; L409-L413 HydrophobicContact CD1-CD1 4.16Å; L409-L413 HydrophobicContact CD1-CG 4.24Å; L409-L413 HydrophobicContact CG-CD1 4.16Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.25Å; L409-L413 PolarHBondContact O-N 3.46Å; L409-L413 VanDerWaalsContact O-N 3.1Å; Q410-L413 PolarHBondContact O-N 3.21Å; D411-L413 PolarHBondContact O-N 3.25Å; L413-T416 PolarHBondContact O-OG1 3.2Å; L413-H417 WeakPolarHBondContact O-CB 3.31Å; L413-H417 PolarHBondContact O-N 3.43Å
414	C	95.3	Very high	93.2	Very high	47 Å²	47	60.3 Å²	60.3	32%	0.318	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-44	177.7	-72.9	0	0	0	0	111.7	Q410 D411 V412 K418	Q410-C414 VanDerWaalsContact O-CB 3.31Å; Q410-C414 WeakPolarHBondContact O-CB 3.3Å; Q410-C414 PolarHBondContact O-N 2.94Å; Q410-C414 PolarHBondContact O-SG 2.94Å; D411-C414 PolarHBondContact O-N 3.12Å; V412-C414 PolarHBondContact O-N 2.84Å; C414-K418 VanDerWaalsContact O-CB 3.24Å; C414-K418 WeakPolarHBondContact O-CB 3.32Å; C414-K418 PolarHBondContact O-N 2.86Å
415	Q	94.9	Very high	93.3	Very high	99 Å²	99	59.3 Å²	59.3	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-45.9	-179.7	-72.7	173.9	29.5	0	0	111.7	D411 V412 K418 R419	D411-Q415 VanDerWaalsContact O-CB 3.31Å; D411-Q415 WeakPolarHBondContact O-CB 3.43Å; D411-Q415 WeakPolarHBondContact O-CG 3.43Å; D411-Q415 PolarHBondContact O-N 3.05Å; V412-Q415 PolarHBondContact O-N 2.99Å; Q415-K418 PolarHBondContact O-N 3.1Å; Q415-R419 WeakPolarHBondContact O-CB 3.23Å; Q415-R419 PolarHBondContact O-N 3.01Å
416	T	94.9	Very high	93.4	Very high	28 Å²	28	61.4 Å²	61.4	17%	0.172	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-34.7	179.5	63.5	0	0	0	0	112.3	H319 L323 H390 V412 L413 S420	H319-T416 PolarHBondContact CE1-OG1 2.88Å; H319-T416 VanDerWaalsContact CE1-OG1 3.28Å; L323-T416 HydrophobicContact CD2-CG2 4.31Å; H390-T416 VanDerWaalsContact CE1-CB 3.5Å; H390-T416 WeakPolarHBondContact CE1-CB 3.49Å; H390-T416 PolarHBondContact CE1-O 3.23Å; H390-T416 PolarHBondContact CE1-OG1 3.02Å; H390-T416 PolarHBondContact ND1-O 2.92Å; H390-T416 PolarHBondContact NE2-OG1 2.94Å; V412-T416 HydrophobicContact CG1-CG2 4.45Å; V412-T416 WeakPolarHBondContact O-CG2 3.4Å; V412-T416 PolarHBondContact O-N 2.86Å; V412-T416 PolarHBondContact O-OG1 3.45Å; L413-T416 PolarHBondContact O-OG1 3.2Å; T416-S420 PolarHBondContact O-N 3.44Å; T416-S420 VanDerWaalsContact O-N 3.09Å; T416-S420 PolarHBondContact O-OG 3.48Å
417	H	97.3	Very high	93.3	Very high	30 Å²	30	62.3 Å²	62.3	14%	0.139	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-51.9	170.7	174.6	-98.3	0	0	0	111.3	H390 E391 M394 L413 R419 S420 L421	H390-H417 HydrophobicContact CB-CB 4.01Å; E391-H417 IonicContact OE1-NE2 2.71Å; M394-H417 HydrophobicContact SD-CB 3.92Å; L413-H417 WeakPolarHBondContact O-CB 3.31Å; L413-H417 PolarHBondContact O-N 3.43Å; H417-R419 VanDerWaalsContact C-N 3.32Å; H417-R419 PolarHBondContact O-N 3.18Å; H417-S420 PolarHBondContact O-N 2.84Å; H417-L421 WeakPolarHBondContact O-CB 3.47Å; H417-L421 PolarHBondContact O-N 3.3Å
418	K	97	Very high	92.9	Very high	122 Å²	122	61.3 Å²	61.3	53%	0.53	30%	0.296	S	S	.	.	H	α-helix	trans	-56.2	-46.3	178.8	179.8	176.5	173	-180	0	111.4	C414 Q415 S420 L421 E422	C414-K418 VanDerWaalsContact O-CB 3.24Å; C414-K418 WeakPolarHBondContact O-CB 3.32Å; C414-K418 PolarHBondContact O-N 2.86Å; Q415-K418 PolarHBondContact O-N 3.1Å; K418-S420 PolarHBondContact O-N 3.29Å; K418-L421 PolarHBondContact O-N 3.48Å; K418-E422 WeakPolarHBondContact CE-OE1 3.48Å; K418-E422 HydrophobicContact CG-CG 4.26Å; K418-E422 IonicContact NZ-OE1 2.63Å; K418-E422 WeakPolarHBondContact O-CB 3.33Å; K418-E422 WeakPolarHBondContact O-CG 3.37Å; K418-E422 PolarHBondContact O-N 3.28Å
419	R	95.3	Very high	92.5	Very high	129 Å²	129	65.5 Å²	65.5	49%	0.487	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-44.2	177.2	-174.2	-178.9	-179.4	-170.6	-0.9	112.8	Y326 Q415 H417 K423	Y326-R419 HydrophobicContact CE2-CG 3.89Å; Y326-R419 VanDerWaalsContact CZ-NE 3.29Å; Y326-R419 VanDerWaalsContact OH-CZ 3.23Å; Y326-R419 PolarHBondContact OH-NE 3.23Å; Y326-R419 PolarHBondContact OH-NH2 3.44Å; Y326-R419 VanDerWaalsContact OH-NH2 3.12Å; Q415-R419 WeakPolarHBondContact O-CB 3.23Å; Q415-R419 PolarHBondContact O-N 3.01Å; H417-R419 VanDerWaalsContact C-N 3.32Å; H417-R419 PolarHBondContact O-N 3.18Å; R419-K423 PolarHBondContact O-N 2.73Å
420	S	95.9	Very high	91.2	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-39.8	176.4	-65.8	0	0	0	0	112.2	Y326 T416 H417 K418 Y424	Y326-S420 WeakPolarHBondContact CD2-OG 3.45Å; T416-S420 PolarHBondContact O-N 3.44Å; T416-S420 VanDerWaalsContact O-N 3.09Å; T416-S420 PolarHBondContact O-OG 3.48Å; H417-S420 PolarHBondContact O-N 2.84Å; K418-S420 PolarHBondContact O-N 3.29Å; S420-Y424 WeakPolarHBondContact O-CB 3.14Å; S420-Y424 PolarHBondContact O-N 3.44Å
421	L	96.2	Very high	89.9	Confident	61 Å²	61	76.9 Å²	76.9	32%	0.319	37%	0.365	S	S	.	.	H	α-helix	trans	-69.2	-45.7	-179.2	-179	61.9	0	0	0	111.9	V387 H417 K418 K423 Y424 L425	V387-L421 HydrophobicContact CG1-CD1 4.45Å; V387-L421 HydrophobicContact CG2-CB 4.3Å; V387-L421 HydrophobicContact CG2-CD1 4.45Å; H417-L421 WeakPolarHBondContact O-CB 3.47Å; H417-L421 PolarHBondContact O-N 3.3Å; K418-L421 PolarHBondContact O-N 3.48Å; L421-K423 PolarHBondContact O-N 3.32Å; L421-Y424 WeakPolarHBondContact O-CB 3.5Å; L421-Y424 PolarHBondContact O-N 2.87Å; L421-L425 HydrophobicContact CD1-CD1 4.32Å; L421-L425 HydrophobicContact CD1-CG 4.3Å; L421-L425 HydrophobicContact CG-CD1 4.11Å; L421-L425 VanDerWaalsContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CG 3.47Å; L421-L425 PolarHBondContact O-N 3.09Å
422	E	95.8	Very high	88.8	Confident	94 Å²	94	75 Å²	75	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-48.9	176.6	-73.5	173.3	161.3	0	0	110.7	K418 Y424 L425 E426	K418-E422 WeakPolarHBondContact CE-OE1 3.48Å; K418-E422 HydrophobicContact CG-CG 4.26Å; K418-E422 IonicContact NZ-OE1 2.63Å; K418-E422 WeakPolarHBondContact O-CB 3.33Å; K418-E422 WeakPolarHBondContact O-CG 3.37Å; K418-E422 PolarHBondContact O-N 3.28Å; E422-Y424 VanDerWaalsContact C-N 3.3Å; E422-Y424 PolarHBondContact O-N 3.29Å; E422-L425 PolarHBondContact O-N 3.36Å; E422-E426 WeakPolarHBondContact O-CG 3.23Å; E422-E426 PolarHBondContact O-N 2.95Å
423	K	92.8	Very high	87.4	Confident	28 Å²	28	83.2 Å²	83.2	12%	0.122	39%	0.39	C	S	.	.	H	α-helix	trans	-65.5	-30.9	177.4	-165.2	163.9	-175.3	157.3	0	112.8	Y326 D334 L383 R419 L421 L427	Y326-K423 HydrophobicContact CE2-CD 4.18Å; D334-K423 VanDerWaalsContact CG-NZ 3.34Å; D334-K423 IonicContact OD1-NZ 2.91Å; D334-K423 PolarHBondContact OD1-NZ 3.06Å; D334-K423 IonicContact OD2-NZ 3.93Å; D334-K423 PolarHBondContact OD2-NZ 2.9Å; L383-K423 HydrophobicContact CD1-CB 4.37Å; L383-K423 HydrophobicContact CD1-CG 3.96Å; L383-K423 HydrophobicContact CD2-CB 4.07Å; L383-K423 HydrophobicContact CD2-CG 4.25Å; R419-K423 PolarHBondContact O-N 2.73Å; L421-K423 PolarHBondContact O-N 3.32Å; K423-L427 WeakPolarHBondContact O-CG 3.24Å
424	Y	93.1	Very high	85.6	Confident	46 Å²	46	89.3 Å²	89.3	18%	0.18	42%	0.423	C	S	.	.	H	α-helix	trans	-65.3	-46.4	172.6	176.1	-99	0	0	0	111.7	K380 L383 R384 S420 L421 E422 E426 L427	K380-Y424 HydrophobicContact CD-CE2 4.44Å; K380-Y424 HydrophobicContact CG-CD2 4.04Å; K380-Y424 HydrophobicContact CG-CE2 3.67Å; L383-Y424 HydrophobicContact CB-CD2 3.92Å; L383-Y424 HydrophobicContact CB-CG 4.46Å; R384-Y424 HydrophobicContact CB-CD2 4.26Å; R384-Y424 HydrophobicContact CB-CE2 3.79Å; R384-Y424 HydrophobicContact CG-CE2 4.35Å; S420-Y424 WeakPolarHBondContact O-CB 3.14Å; S420-Y424 PolarHBondContact O-N 3.44Å; L421-Y424 WeakPolarHBondContact O-CB 3.5Å; L421-Y424 PolarHBondContact O-N 2.87Å; E422-Y424 VanDerWaalsContact C-N 3.3Å; E422-Y424 PolarHBondContact O-N 3.29Å; Y424-E426 VanDerWaalsContact C-N 3.34Å; Y424-E426 PolarHBondContact O-N 2.84Å; Y424-L427 PolarHBondContact O-N 3.14Å
425	L	91.9	Very high	84	Confident	99 Å²	99	96.2 Å²	96.2	52%	0.518	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-34.8	-179.1	-67.7	171.6	0	0	0	112.1	L421 E422 L427 D428	L421-L425 HydrophobicContact CD1-CD1 4.32Å; L421-L425 HydrophobicContact CD1-CG 4.3Å; L421-L425 HydrophobicContact CG-CD1 4.11Å; L421-L425 VanDerWaalsContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CG 3.47Å; L421-L425 PolarHBondContact O-N 3.09Å; E422-L425 PolarHBondContact O-N 3.36Å; L425-L427 PolarHBondContact O-N 3.2Å; L425-D428 WeakPolarHBondContact O-CB 3.46Å; L425-D428 PolarHBondContact O-N 3.4Å
426	E	90	Very high	82.4	Confident	150 Å²	150	93.4 Å²	93.4	70%	0.701	44%	0.44	S	S	*	.	H	α-helix	trans	-60.2	-26.6	173.6	-74.5	173.4	-177.9	0	0	113.5	E422 Y424	E422-E426 WeakPolarHBondContact O-CG 3.23Å; E422-E426 PolarHBondContact O-N 2.95Å; Y424-E426 VanDerWaalsContact C-N 3.34Å; Y424-E426 PolarHBondContact O-N 2.84Å
427	L	85.4	Confident	81.4	Confident	28 Å²	28	95.7 Å²	95.7	15%	0.147	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.7	-179.7	-63	-178.6	0	0	0	113.7	C333 R376 K380 L383 K423 Y424 L425	C333-L427 VanDerWaalsContact SG-CD1 3.56Å; R376-L427 HydrophobicContact CG-CD2 4.15Å; R376-L427 PolarHBondContact NH1-O 3.47Å; K380-L427 HydrophobicContact CB-CD1 4.31Å; K380-L427 HydrophobicContact CG-CB 4.43Å; L383-L427 HydrophobicContact CD1-CD1 3.45Å; L383-L427 VanDerWaalsContact CD1-CD1 3.45Å; L383-L427 HydrophobicContact CD1-CG 4.44Å; K423-L427 WeakPolarHBondContact O-CG 3.24Å; Y424-L427 PolarHBondContact O-N 3.14Å; L425-L427 PolarHBondContact O-N 3.2Å
428	D	81.1	Confident	80.7	Confident	84 Å²	84	102.5 Å²	102.5	45%	0.449	49%	0.494	S	S	.	.			trans	-73.3	133.1	-178.2	-150.9	18.1	0	0	0	110.6	K380 L425	K380-D428 WeakPolarHBondContact CE-OD1 3.12Å; K380-D428 IonicContact NZ-OD1 3.81Å; K380-D428 PolarHBondContact NZ-OD1 3.44Å; L425-D428 WeakPolarHBondContact O-CB 3.46Å; L425-D428 PolarHBondContact O-N 3.4Å
429	R	79.8	Confident	80.3	Confident	153 Å²	153	97 Å²	97	58%	0.577	47%	0.471	S	S	*	.			trans	-132	147.5	-178.7	-65.2	-173.9	179.7	-176.8	-1.6	109.6	D431 D432	R429-D431 PolarHBondContact O-N 3.22Å; R429-D431 VanDerWaalsContact O-N 3.12Å; R429-D432 PolarHBondContact N-OD2 2.9Å; R429-D432 WeakPolarHBondContact O-CB 3.38Å; R429-D432 PolarHBondContact O-N 3.35Å
430	E	64.6	Low	80	Confident	184 Å²	184	93.1 Å²	93.1	86%	0.86	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29	-179.5	-63.2	-176.3	173.7	0	0	112.9	F433	E430-F433 WeakPolarHBondContact O-CD2 3.21Å; E430-F433 WeakPolarHBondContact O-CE2 3.41Å
431	D	66	Low	79.9	Confident	141 Å²	141	96.7 Å²	96.7	75%	0.754	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	3.4	-179.3	-60.9	-37.7	0	0	0	114.7	R429 F433	R429-D431 PolarHBondContact O-N 3.22Å; R429-D431 VanDerWaalsContact O-N 3.12Å; D431-F433 PolarHBondContact O-N 3.4Å
432	D	69.1	Low	79.8	Confident	39 Å²	39	93.9 Å²	93.9	21%	0.209	46%	0.464	C	S	.	.			trans	-77	53.1	177	-72.9	-23.5	0	0	0	111.2	R376 K380 R429 D434	R376-D432 IonicContact CZ-OD1 2.74Å; R376-D432 IonicContact CZ-OD2 2.73Å; R376-D432 IonicContact NH1-OD1 3.88Å; R376-D432 PolarHBondContact NH1-OD1 3.44Å; R376-D432 IonicContact NH1-OD2 2.69Å; R376-D432 PolarHBondContact NH1-OD2 3.47Å; R376-D432 IonicContact NH2-OD1 3.38Å; R376-D432 PolarHBondContact NH2-OD1 2.96Å; R376-D432 IonicContact NH2-OD2 3.54Å; K380-D432 IonicContact NZ-OD2 3.77Å; K380-D432 PolarHBondContact NZ-OD2 3.48Å; R429-D432 PolarHBondContact N-OD2 2.9Å; R429-D432 WeakPolarHBondContact O-CB 3.38Å; R429-D432 PolarHBondContact O-N 3.35Å; D432-D434 VanDerWaalsContact C-N 3.31Å
433	F	64	Low	79.7	Confident	182 Å²	182	93.3 Å²	93.3	80%	0.798	46%	0.462	S	S	*	.			trans	-76	-13.5	177.9	-75.3	-83.2	0	0	0	114	E430 D431	E430-F433 WeakPolarHBondContact O-CD2 3.21Å; E430-F433 WeakPolarHBondContact O-CE2 3.41Å; D431-F433 PolarHBondContact O-N 3.4Å
434	D	57.8	Low	79.9	Confident	130 Å²	130	92.6 Å²	92.6	70%	0.695	46%	0.461	S	S	*	.	S	Bend	trans	-76.2	143.7	175.2	-86.4	-28.2	0	0	0	111.5	D432 T436	D432-D434 VanDerWaalsContact C-N 3.31Å; D434-T436 PolarHBondContact O-N 2.99Å
435	E	60.6	Low	79.9	Confident	193 Å²	193	95 Å²	95	90%	0.902	47%	0.474	S	S	*	.			trans	-50.9	113.5	168.5	-91.7	-176.2	155.4	0	0	109.4	A437	E435-A437 PolarHBondContact O-N 3.16Å
436	T	62.6	Low	80	Confident	39 Å²	39	91.2 Å²	91.2	24%	0.239	46%	0.455	C	S	.	.			trans	-57.3	113	177.7	-54.6	0	0	0	0	108.7	A381 D434	A381-T436 HydrophobicContact CB-CG2 4.28Å; D434-T436 PolarHBondContact O-N 2.99Å
437	A	72.8	Confident	79.8	Confident	76 Å²	76	90 Å²	90	63%	0.628	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-51.6	146	-178.4	0	0	0	0	0	111.7	A381 E435	A381-A437 WeakPolarHBondContact CB-O 3.39Å; E435-A437 PolarHBondContact O-N 3.16Å
438	E	82.7	Confident	79.9	Confident	174 Å²	174	92.3 Å²	92.3	81%	0.813	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-69.7	133.8	178.5	-167.4	172.5	-172.9	0	0	110.8
439	A	88.8	Confident	80.2	Confident	6 Å²	6	95.9 Å²	95.9	5%	0.05	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.3	126	179.1	0	0	0	0	0	111.4	A381 R385	A381-A439 HydrophobicContact CB-CB 4.16Å; R385-A439 HydrophobicContact CB-CB 4.08Å; R385-A439 PolarHBondContact NH1-O 2.98Å
440	P	89.9	Confident	80.6	Confident	48 Å²	48	90 Å²	90	31%	0.312	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-61.2	158.3	177.5	-19.8	30.9	0	0	0	112.9	Y356 L378 H382 I442	Y356-P440 HydrophobicContact CD1-CB 3.63Å; Y356-P440 HydrophobicContact CD1-CG 4.44Å; Y356-P440 HydrophobicContact CE1-CB 3.91Å; Y356-P440 HydrophobicContact CE1-CG 4.33Å; Y356-P440 HydrophobicContact CG-CB 3.98Å; L378-P440 HydrophobicContact CD1-CG 4.18Å; H382-P440 PolarHBondContact CE1-O 2.96Å; P440-I442 PolarHBondContact O-N 3.34Å
441	E	91.8	Very high	81.9	Confident	75 Å²	75	86.7 Å²	86.7	35%	0.35	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-76.1	122.4	-179.1	-167.9	68.5	-175.5	0	0	111.4	R321 Y356 V357 R385	R321-E441 IonicContact CZ-OE1 2.88Å; R321-E441 IonicContact CZ-OE2 2.89Å; R321-E441 IonicContact NE-OE1 3.64Å; R321-E441 IonicContact NH1-OE1 3.29Å; R321-E441 IonicContact NH2-OE1 2.95Å; R321-E441 PolarHBondContact NH2-OE1 2.96Å; R321-E441 IonicContact NH2-OE2 3.38Å; R321-E441 PolarHBondContact NH2-OE2 3.44Å; Y356-E441 CarbonylContact C-O 3.5Å; Y356-E441 VanDerWaalsContact CA-O 3.24Å; Y356-E441 WeakPolarHBondContact CA-O 3.41Å; V357-E441 HydrophobicContact CB-CB 4.2Å; V357-E441 HydrophobicContact CB-CG 4.32Å; V357-E441 HydrophobicContact CG2-CB 4.29Å; V357-E441 HydrophobicContact CG2-CG 4Å; V357-E441 PolarHBondContact N-O 2.96Å; R385-E441 IonicContact CZ-OE2 3.07Å; R385-E441 IonicContact NH1-OE2 2.86Å; R385-E441 PolarHBondContact NH1-OE2 2.95Å; R385-E441 IonicContact NH2-OE1 3.28Å; R385-E441 IonicContact NH2-OE2 2.64Å; R385-E441 PolarHBondContact NH2-OE2 3.46Å
442	I	95.1	Very high	83.3	Confident	2 Å²	2	83.2 Å²	83.2	1%	0.01	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-73.5	129.6	177.5	-58.9	168.8	0	0	0	109.6	Q280 A283 S324 H325 A328 F355 Y356 P440 A444	Q280-I442 HydrophobicContact CG-CG2 4.44Å; A283-I442 HydrophobicContact CB-CG2 4.18Å; S324-I442 WeakPolarHBondContact O-CD1 3.39Å; H325-I442 WeakPolarHBondContact ND1-CD1 3.28Å; A328-I442 HydrophobicContact CB-CD1 3.72Å; F355-I442 HydrophobicContact CD2-CG2 4.31Å; F355-I442 HydrophobicContact CE1-CB 4.5Å; F355-I442 HydrophobicContact CE1-CD1 4.24Å; F355-I442 HydrophobicContact CE1-CG1 3.8Å; F355-I442 HydrophobicContact CE1-CG2 4.12Å; F355-I442 HydrophobicContact CE2-CG2 3.69Å; F355-I442 HydrophobicContact CZ-CB 4.33Å; F355-I442 HydrophobicContact CZ-CD1 3.96Å; F355-I442 HydrophobicContact CZ-CG1 3.86Å; F355-I442 HydrophobicContact CZ-CG2 3.58Å; Y356-I442 HydrophobicContact CD1-CG1 4.47Å; Y356-I442 HydrophobicContact CE1-CG1 4.26Å; P440-I442 PolarHBondContact O-N 3.34Å; I442-A444 PolarHBondContact O-N 3.19Å
443	Q	94.7	Very high	84.6	Confident	83 Å²	83	83.5 Å²	83.5	39%	0.388	43%	0.425	S	S	.	.			trans	-73.1	115.3	173.5	178	62.1	61.5	0	0	109.8	Q280 F355 V357	Q280-Q443 WeakPolarHBondContact CG-O 3.41Å; Q280-Q443 PolarHBondContact NE2-O 2.83Å; F355-Q443 WeakPolarHBondContact O-CB 3.45Å; F355-Q443 PolarHBondContact O-N 2.92Å; V357-Q443 HydrophobicContact CG2-CB 4.06Å
444	A	95.5	Very high	86.1	Confident	13 Å²	13	79.1 Å²	79.1	11%	0.107	41%	0.414	C	S	.	.			trans	-63.4	137.3	174	0	0	0	0	0	111.4	A283 Q284 D287 I442	A283-A444 HydrophobicContact CB-CB 4.16Å; Q284-A444 HydrophobicContact CB-CB 4.21Å; D287-A444 WeakPolarHBondContact OD2-CB 3.33Å; I442-A444 PolarHBondContact O-N 3.19Å
445	H	94.6	Very high	87.8	Confident	97 Å²	97	74 Å²	74	45%	0.449	39%	0.388	S	S	.	.			trans	-154.3	138	176.3	-179.9	-82.5	0	0	0	109.7	Q280 E281	Q280-H445 CarbonylContact C-O 3.6Å; Q280-H445 VanDerWaalsContact C-O 3.32Å; Q280-H445 HydrophobicContact CB-CB 3.97Å; Q280-H445 HydrophobicContact CG-CB 4.45Å; Q280-H445 PolarHBondContact O-N 3.01Å; E281-H445 PolarHBondContact N-O 3.06Å
446	T	93.1	Very high	89.2	Confident	18 Å²	18	67.5 Å²	67.5	11%	0.11	36%	0.364	C	S	.	.			trans	-122.3	138	174.2	173.5	0	0	0	0	111.3	Q256 E281 Q284 Q448 K449	Q256-T446 PolarHBondContact NE2-OG1 2.79Å; Q256-T446 PolarHBondContact OE1-OG1 2.9Å; E281-T446 VanDerWaalsContact OE1-CA 3.29Å; E281-T446 WeakPolarHBondContact OE1-CA 3.41Å; E281-T446 WeakPolarHBondContact OE2-CA 3.11Å; E281-T446 WeakPolarHBondContact OE2-CB 3.36Å; E281-T446 PolarHBondContact OE2-OG1 2.99Å; Q284-T446 HydrophobicContact CG-CG2 4.05Å; T446-Q448 VanDerWaalsContact OG1-C 3.27Å; T446-Q448 PolarHBondContact OG1-N 3.35Å; T446-Q448 VanDerWaalsContact OG1-N 3.16Å; T446-Q448 PolarHBondContact OG1-O 3.41Å; T446-K449 HydrophobicContact CG2-CG 4.03Å
447	Q	84.9	Confident	90.5	Very high	124 Å²	124	68.1 Å²	68.1	58%	0.579	36%	0.364	S	S	*	.	S	Bend	trans	-74.6	-31.4	172.1	-67.8	-168.9	-24.9	0	0	112.3	Q277 E281	Q277-Q447 VanDerWaalsContact CD-CD 3.45Å; E281-Q447 PolarHBondContact OE1-N 3.47Å
448	Q	88	Confident	91.3	Very high	77 Å²	77	69.3 Å²	69.3	36%	0.36	36%	0.363	S	S	.	.	S	Bend	trans	-125.7	103.7	179.3	-176	177.5	-6.1	0	0	110	V259 T446 P450	V259-Q448 HydrophobicContact CG1-CB 4.22Å; T446-Q448 VanDerWaalsContact OG1-C 3.27Å; T446-Q448 PolarHBondContact OG1-N 3.35Å; T446-Q448 VanDerWaalsContact OG1-N 3.16Å; T446-Q448 PolarHBondContact OG1-O 3.41Å; Q448-P450 WeakPolarHBondContact O-CD 3.44Å
449	K	87.8	Confident	91.4	Very high	159 Å²	159	65.5 Å²	65.5	69%	0.691	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-64.3	130.8	171.3	-70.7	-176.2	-179.8	177.9	0	109.5	T446 D451	T446-K449 HydrophobicContact CG2-CG 4.03Å; K449-D451 PolarHBondContact O-N 2.91Å
450	P	88.6	Confident	91.3	Very high	29 Å²	29	65.9 Å²	65.9	19%	0.188	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.3	118.8	174.2	-22.4	33.4	0	0	0	110.8	V252 V255 Q256 Q448	V252-P450 HydrophobicContact CG1-CB 3.97Å; V252-P450 HydrophobicContact CG1-CG 4.17Å; V255-P450 HydrophobicContact CB-CB 4.05Å; V255-P450 HydrophobicContact CB-CG 4.45Å; V255-P450 HydrophobicContact CG1-CB 3.67Å; V255-P450 HydrophobicContact CG1-CG 4.11Å; Q256-P450 HydrophobicContact CB-CG 4.04Å; Q448-P450 WeakPolarHBondContact O-CD 3.44Å
451	D	91.1	Very high	91.2	Very high	115 Å²	115	71 Å²	71	62%	0.615	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-93	157.6	170.4	-70	-35.9	0	0	0	111.3	Q218 K449	Q218-D451 WeakPolarHBondContact CG-O 3.36Å; Q218-D451 PolarHBondContact NE2-O 2.95Å; K449-D451 PolarHBondContact O-N 2.91Å
452	I	95.4	Very high	91	Very high	68 Å²	68	68.6 Å²	68.6	35%	0.349	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-99.3	142	172.5	63.3	174.2	0	0	0	110.1	A221 N225 V252	A221-I452 HydrophobicContact CB-CB 4.31Å; A221-I452 HydrophobicContact CB-CG2 3.67Å; N225-I452 HydrophobicContact CB-CD1 3.94Å; V252-I452 HydrophobicContact CG2-CG2 4.24Å
453	T	96.6	Very high	90.6	Very high	46 Å²	46	72.1 Å²	72.1	28%	0.282	39%	0.388	S	S	.	.			trans	-109.4	108.9	179.6	-52.2	0	0	0	0	109.7	Q218 R219 G222	Q218-T453 PolarHBondContact O-N 3.38Å; R219-T453 HydrophobicContact CG-CG2 4.09Å; G222-T453 WeakPolarHBondContact CA-O 3.4Å
454	P	95.1	Very high	90.3	Very high	89 Å²	89	68.7 Å²	68.7	58%	0.578	37%	0.373	S	S	*	.			trans	-64.6	154.2	-178.2	27.5	-34.3	0	0	0	111.8	S456	P454-S456 PolarHBondContact O-N 3.41Å
455	P	93.3	Very high	89.9	Confident	24 Å²	24	72.3 Å²	72.3	16%	0.156	39%	0.389	C	S	.	.			trans	-63.7	133.8	177.9	26.4	-34.1	0	0	0	111.4	L188 Y226 F457	L188-P455 HydrophobicContact CD1-CB 4.25Å; L188-P455 HydrophobicContact CD1-CG 4.27Å; Y226-P455 HydrophobicContact CD1-CG 4.48Å; Y226-P455 HydrophobicContact CD2-CG 4.12Å; Y226-P455 HydrophobicContact CG-CG 3.92Å; P455-F457 HydrophobicContact CB-CE1 4.13Å; P455-F457 HydrophobicContact CB-CZ 3.98Å; P455-F457 HydrophobicContact CG-CE1 4.21Å; P455-F457 HydrophobicContact CG-CE2 4.09Å; P455-F457 HydrophobicContact CG-CZ 3.59Å
456	S	91.3	Very high	89.4	Confident	55 Å²	55	70.3 Å²	70.3	39%	0.385	38%	0.379	S	S	.	.			trans	-99.3	98.9	176.6	177.6	0	0	0	0	111.4	M140 P454 T458 T459	M140-S456 VanDerWaalsContact CE-O 3.23Å; M140-S456 WeakPolarHBondContact CE-O 3.43Å; P454-S456 PolarHBondContact O-N 3.41Å; S456-T458 VanDerWaalsContact C-N 3.27Å; S456-T458 PolarHBondContact O-N 3.49Å; S456-T459 WeakPolarHBondContact CB-OG1 3.44Å; S456-T459 PolarHBondContact O-N 3.21Å; S456-T459 PolarHBondContact O-OG1 3.43Å; S456-T459 PolarHBondContact OG-OG1 3.29Å
457	F	89.9	Confident	89	Confident	53 Å²	53	75.4 Å²	75.4	23%	0.232	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.6	-176.4	-55.4	-69.8	0	0	0	114.3	M140 Y143 N144 L188 Y226 P455	M140-F457 HydrophobicContact CE-CD1 3.9Å; M140-F457 HydrophobicContact CE-CE1 4.46Å; M140-F457 HydrophobicContact SD-CD1 3.85Å; Y143-F457 AromaticContact CD1-CD1 3.8Å; Y143-F457 HydrophobicContact CD1-CD1 3.8Å; Y143-F457 AromaticContact CD1-CE1 3.95Å; Y143-F457 HydrophobicContact CD1-CE1 3.95Å; Y143-F457 AromaticContact CE1-CD1 3.41Å; Y143-F457 HydrophobicContact CE1-CD1 3.41Å; Y143-F457 VanDerWaalsContact CE1-CD1 3.41Å; Y143-F457 AromaticContact CE1-CE1 3.28Å; Y143-F457 HydrophobicContact CE1-CE1 3.28Å; Y143-F457 HydrophobicContact CE1-CG 4.44Å; Y143-F457 HydrophobicContact CE1-CZ 4.24Å; Y143-F457 AromaticContact CZ-CE1 3.66Å; N144-F457 PolarHBondContact ND2-O 3.49Å; L188-F457 HydrophobicContact CD1-CE1 4.5Å; Y226-F457 HydrophobicContact CD1-CZ 4.28Å; Y226-F457 HydrophobicContact CD2-CE2 4.48Å; Y226-F457 HydrophobicContact CE1-CE2 4.3Å; Y226-F457 AromaticContact CE1-CZ 3.82Å; Y226-F457 HydrophobicContact CE1-CZ 3.82Å; Y226-F457 AromaticContact CE2-CE2 3.84Å; Y226-F457 HydrophobicContact CE2-CE2 3.84Å; Y226-F457 HydrophobicContact CE2-CZ 4.11Å; Y226-F457 AromaticContact CZ-CE2 3.73Å; Y226-F457 AromaticContact CZ-CZ 3.73Å; P455-F457 HydrophobicContact CB-CE1 4.13Å; P455-F457 HydrophobicContact CB-CZ 3.98Å; P455-F457 HydrophobicContact CG-CE1 4.21Å; P455-F457 HydrophobicContact CG-CE2 4.09Å; P455-F457 HydrophobicContact CG-CZ 3.59Å
458	T	88.3	Confident	88.9	Confident	101 Å²	101	79.9 Å²	79.9	62%	0.62	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.9	-178.2	53.7	0	0	0	0	113.7	S456 V460 Q461	S456-T458 VanDerWaalsContact C-N 3.27Å; S456-T458 PolarHBondContact O-N 3.49Å; T458-V460 VanDerWaalsContact C-N 3.26Å; T458-V460 PolarHBondContact O-N 2.91Å; T458-Q461 PolarHBondContact O-NE2 2.9Å
459	T	84.6	Confident	88.6	Confident	93 Å²	93	79.8 Å²	79.8	57%	0.571	42%	0.415	S	S	*	.	S	Bend	trans	-62.2	-35	-177.8	-43	0	0	0	0	112.1	S456	S456-T459 WeakPolarHBondContact CB-OG1 3.44Å; S456-T459 PolarHBondContact O-N 3.21Å; S456-T459 PolarHBondContact O-OG1 3.43Å; S456-T459 PolarHBondContact OG-OG1 3.29Å
460	V	88	Confident	88.2	Confident	15 Å²	15	72.5 Å²	72.5	9%	0.091	39%	0.385	C	S	.	.	S	Bend	trans	-114.8	101	179.5	-177.5	0	0	0	0	108.8	E137 M140 E141 N144 T458 V462	E137-V460 HydrophobicContact CB-CG2 3.94Å; E137-V460 HydrophobicContact CG-CG2 4.11Å; M140-V460 HydrophobicContact CB-CB 4.31Å; M140-V460 HydrophobicContact CB-CG2 3.98Å; M140-V460 HydrophobicContact CG-CB 3.93Å; M140-V460 HydrophobicContact CG-CG2 3.92Å; E141-V460 HydrophobicContact CB-CG1 3.93Å; E141-V460 HydrophobicContact CG-CG1 4.32Å; N144-V460 PolarHBondContact ND2-O 3.06Å; T458-V460 VanDerWaalsContact C-N 3.26Å; T458-V460 PolarHBondContact O-N 2.91Å; V460-V462 HydrophobicContact CG1-CG1 4.44Å
461	Q	87.4	Confident	87.9	Confident	155 Å²	155	73.4 Å²	73.4	72%	0.724	39%	0.391	S	S	*	.			trans	-75.8	137.3	174.8	-64.1	-62.5	-38.2	0	0	110	T458	T458-Q461 PolarHBondContact O-NE2 2.9Å
462	V	87.4	Confident	87.4	Confident	24 Å²	24	70.3 Å²	70.3	15%	0.145	37%	0.374	C	S	.	.			trans	-129.3	138.2	-179.1	-73.6	0	0	0	0	110.4	E141 N144 Q145 Y148 V460	E141-V462 HydrophobicContact CB-CG1 4.31Å; E141-V462 HydrophobicContact CG-CG1 3.56Å; N144-V462 HydrophobicContact CB-CB 4.39Å; N144-V462 HydrophobicContact CB-CG1 4.11Å; N144-V462 HydrophobicContact CB-CG2 3.36Å; Q145-V462 HydrophobicContact CG-CG1 4.41Å; Y148-V462 HydrophobicContact CE2-CG2 3.92Å; Y148-V462 PolarHBondContact OH-O 3.18Å; V460-V462 HydrophobicContact CG1-CG1 4.44Å
463	S	87.8	Confident	86.6	Confident	76 Å²	76	71.6 Å²	71.6	53%	0.531	39%	0.389	S	S	.	.			trans	-88.1	144.6	167	57	0	0	0	0	110	Q145 I465	Q145-S463 PolarHBondContact NE2-O 3.45Å; Q145-S463 PolarHBondContact OE1-O 3.44Å; S463-I465 PolarHBondContact O-N 2.93Å; S463-I465 VanDerWaalsContact O-N 3.11Å
464	D	87.1	Confident	85.6	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.064	38%	0.378	C	S	.	.			trans	-61.7	111.3	176.4	-173.4	-14	0	0	0	111.8	Y148 R152 F466 Q467	Y148-D464 HydrophobicContact CD1-CB 3.74Å; Y148-D464 HydrophobicContact CD2-CB 3.92Å; Y148-D464 HydrophobicContact CE1-CB 3.85Å; Y148-D464 HydrophobicContact CE2-CB 3.98Å; Y148-D464 HydrophobicContact CG-CB 3.78Å; R152-D464 IonicContact CZ-OD2 2.86Å; R152-D464 IonicContact NE-OD1 3.58Å; R152-D464 PolarHBondContact NE-OD1 3.31Å; R152-D464 IonicContact NE-OD2 2.73Å; R152-D464 PolarHBondContact NE-OD2 2.83Å; R152-D464 IonicContact NH2-OD1 3.38Å; R152-D464 IonicContact NH2-OD2 3.92Å; R152-D464 PolarHBondContact NH2-OD2 2.91Å; D464-F466 PolarHBondContact O-N 3.43Å; D464-F466 VanDerWaalsContact O-N 3.1Å; D464-F466 WeakPolarHBondContact OD1-CA 3.47Å; D464-F466 WeakPolarHBondContact OD1-CB 3.35Å; D464-F466 PolarHBondContact OD1-N 2.73Å; D464-Q467 HydrophobicContact CB-CB 4.32Å; D464-Q467 VanDerWaalsContact O-CB 3.28Å; D464-Q467 WeakPolarHBondContact O-CB 3.42Å; D464-Q467 VanDerWaalsContact O-CG 3.31Å; D464-Q467 WeakPolarHBondContact O-CG 3.31Å; D464-Q467 PolarHBondContact O-N 3.5Å
465	I	86.9	Confident	84.7	Confident	88 Å²	88	69 Å²	69	45%	0.451	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.8	178.4	59.8	175.5	0	0	0	113	S463	S463-I465 PolarHBondContact O-N 2.93Å; S463-I465 VanDerWaalsContact O-N 3.11Å
466	F	84.9	Confident	84.2	Confident	56 Å²	56	69.3 Å²	69.3	25%	0.246	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	15.7	177.8	-55.9	-73.7	0	0	0	112.5	L149 R152 F153 D464 R468 L469	L149-F466 HydrophobicContact CB-CE2 4.42Å; L149-F466 HydrophobicContact CD1-CE2 4.27Å; L149-F466 HydrophobicContact CD1-CZ 4.35Å; R152-F466 PolarHBondContact NH2-O 3.38Å; F153-F466 AromaticContact CE2-CD1 3.85Å; F153-F466 HydrophobicContact CE2-CD1 3.85Å; F153-F466 AromaticContact CE2-CD2 3.76Å; F153-F466 HydrophobicContact CE2-CD2 3.76Å; F153-F466 AromaticContact CE2-CE1 3.82Å; F153-F466 HydrophobicContact CE2-CE1 3.82Å; F153-F466 AromaticContact CE2-CE2 3.73Å; F153-F466 HydrophobicContact CE2-CE2 3.73Å; F153-F466 AromaticContact CE2-CG 3.82Å; F153-F466 HydrophobicContact CE2-CG 3.82Å; F153-F466 AromaticContact CE2-CZ 3.76Å; F153-F466 HydrophobicContact CE2-CZ 3.76Å; F153-F466 AromaticContact CZ-CD1 3.81Å; F153-F466 HydrophobicContact CZ-CD1 3.81Å; F153-F466 HydrophobicContact CZ-CD2 4.45Å; F153-F466 AromaticContact CZ-CE1 4Å; F153-F466 HydrophobicContact CZ-CE1 4Å; F153-F466 HydrophobicContact CZ-CG 4.05Å; F153-F466 HydrophobicContact CZ-CZ 4.4Å; D464-F466 PolarHBondContact O-N 3.43Å; D464-F466 VanDerWaalsContact O-N 3.1Å; D464-F466 WeakPolarHBondContact OD1-CA 3.47Å; D464-F466 WeakPolarHBondContact OD1-CB 3.35Å; D464-F466 PolarHBondContact OD1-N 2.73Å; F466-R468 PolarHBondContact O-N 3.17Å; F466-L469 HydrophobicContact CB-CD1 4.06Å; F466-L469 HydrophobicContact CB-CG 4.37Å; F466-L469 HydrophobicContact CD1-CD1 4.26Å; F466-L469 VanDerWaalsContact O-CB 3.29Å; F466-L469 WeakPolarHBondContact O-CB 3.47Å; F466-L469 PolarHBondContact O-N 3.17Å
467	Q	84.9	Confident	83.6	Confident	125 Å²	125	67.2 Å²	67.2	58%	0.584	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.7	178.4	65.3	-177.1	13.1	0	0	113.9	D464 L469 G470	D464-Q467 HydrophobicContact CB-CB 4.32Å; D464-Q467 VanDerWaalsContact O-CB 3.28Å; D464-Q467 WeakPolarHBondContact O-CB 3.42Å; D464-Q467 VanDerWaalsContact O-CG 3.31Å; D464-Q467 WeakPolarHBondContact O-CG 3.31Å; D464-Q467 PolarHBondContact O-N 3.5Å; Q467-L469 PolarHBondContact O-N 2.99Å; Q467-G470 PolarHBondContact O-N 3.47Å
468	R	82.6	Confident	83	Confident	218 Å²	218	73.1 Å²	73.1	82%	0.823	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17	174.5	-67.9	-177.5	65	-164	-0	114	F466 G470 W538	F466-R468 PolarHBondContact O-N 3.17Å; R468-G470 PolarHBondContact O-N 3.49Å; R468-W538 PolarHBondContact O-NE1 3.35Å
469	L	81.1	Confident	82.6	Confident	74 Å²	74	68.8 Å²	68.8	39%	0.387	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-80.6	4.1	170.4	-59.5	-177.8	0	0	0	112.2	F153 F466 Q467 F475 W538	F153-L469 HydrophobicContact CE1-CD1 3.94Å; F153-L469 HydrophobicContact CZ-CD1 3.57Å; F466-L469 HydrophobicContact CB-CD1 4.06Å; F466-L469 HydrophobicContact CB-CG 4.37Å; F466-L469 HydrophobicContact CD1-CD1 4.26Å; F466-L469 VanDerWaalsContact O-CB 3.29Å; F466-L469 WeakPolarHBondContact O-CB 3.47Å; F466-L469 PolarHBondContact O-N 3.17Å; Q467-L469 PolarHBondContact O-N 2.99Å; L469-F475 VanDerWaalsContact O-CB 3.28Å; L469-F475 WeakPolarHBondContact O-CB 3.48Å; L469-F475 WeakPolarHBondContact O-CD1 3.39Å; L469-F475 VanDerWaalsContact O-CD2 3.23Å; L469-F475 WeakPolarHBondContact O-CD2 3.48Å; L469-F475 WeakPolarHBondContact O-CG 3.43Å; L469-W538 VanDerWaalsContact C-CH2 3.41Å; L469-W538 WeakPolarHBondContact O-CH2 3.3Å; L469-W538 WeakPolarHBondContact O-CZ2 3.39Å
470	G	79.1	Confident	82.4	Confident	6 Å²	6	66.9 Å²	66.9	6%	0.062	33%	0.333	C	S	.	.			trans	98.3	174.3	-179.8	0	0	0	0	0	114.6	R152 Q467 R468	R152-G470 VanDerWaalsContact CZ-O 3.32Å; R152-G470 PolarHBondContact NH1-O 3.01Å; R152-G470 PolarHBondContact NH2-O 3.19Å; Q467-G470 PolarHBondContact O-N 3.47Å; R468-G470 PolarHBondContact O-N 3.49Å
471	P	82.6	Confident	82.2	Confident	49 Å²	49	69.6 Å²	69.6	32%	0.318	34%	0.341	S	S	.	.			trans	-64.9	147	-179.4	27.7	-33.9	0	0	0	111.5	S473 V474 F475 S504	P471-S473 PolarHBondContact O-N 2.95Å; P471-V474 HydrophobicContact CG-CB 4.09Å; P471-V474 HydrophobicContact CG-CG2 3.81Å; P471-V474 PolarHBondContact O-N 2.91Å; P471-F475 PolarHBondContact O-N 3.22Å; P471-S504 WeakPolarHBondContact CD-O 3.48Å; P471-S504 WeakPolarHBondContact CG-O 3.39Å
472	L	81.9	Confident	82	Confident	50 Å²	50	62.7 Å²	62.7	26%	0.262	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.7	-179.1	-72.5	167.2	0	0	0	113.5	Y148 Q151 R152 V474 C476	Y148-L472 HydrophobicContact CD1-CD1 3.65Å; Y148-L472 HydrophobicContact CD1-CD2 4.45Å; Y148-L472 HydrophobicContact CE1-CD1 3.68Å; Q151-L472 HydrophobicContact CB-CD2 4.11Å; R152-L472 HydrophobicContact CG-CD2 3.5Å; R152-L472 VanDerWaalsContact CG-CD2 3.5Å; L472-V474 PolarHBondContact O-N 2.91Å; L472-C476 VanDerWaalsContact O-CB 3.29Å; L472-C476 WeakPolarHBondContact O-CB 3.34Å
473	S	77	Confident	81.9	Confident	95 Å²	95	66.3 Å²	66.3	66%	0.664	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.2	174.2	50.3	0	0	0	0	112.8	P471	P471-S473 PolarHBondContact O-N 2.95Å
474	V	75.8	Confident	82	Confident	6 Å²	6	67.6 Å²	67.6	4%	0.036	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-57.3	-176.2	-178.9	0	0	0	0	109	P471 L472 C476 A479 W481 P505 Y527	P471-V474 HydrophobicContact CG-CB 4.09Å; P471-V474 HydrophobicContact CG-CG2 3.81Å; P471-V474 PolarHBondContact O-N 2.91Å; L472-V474 PolarHBondContact O-N 2.91Å; V474-C476 PolarHBondContact O-N 3.44Å; V474-A479 WeakPolarHBondContact O-CB 3.44Å; V474-W481 HydrophobicContact CB-CZ2 4.43Å; V474-W481 HydrophobicContact CG1-CH2 3.58Å; V474-W481 HydrophobicContact CG1-CZ2 3.43Å; V474-W481 VanDerWaalsContact CG1-CZ2 3.43Å; V474-W481 VanDerWaalsContact O-CZ2 3.27Å; V474-W481 WeakPolarHBondContact O-CZ2 3.35Å; V474-P505 HydrophobicContact CG1-CG 3.71Å; V474-P505 HydrophobicContact CG2-CG 4.48Å; V474-Y527 HydrophobicContact CG2-CE1 4.23Å
475	F	77.6	Confident	82.3	Confident	75 Å²	75	69.6 Å²	69.6	33%	0.329	35%	0.349	S	S	.	.	S	Bend	trans	-96.8	72.4	-178.7	-79.4	-102.3	0	0	0	111.6	R152 L469 P471 W538	R152-F475 PolarHBondContact NH1-O 3.1Å; L469-F475 VanDerWaalsContact O-CB 3.28Å; L469-F475 WeakPolarHBondContact O-CB 3.48Å; L469-F475 WeakPolarHBondContact O-CD1 3.39Å; L469-F475 VanDerWaalsContact O-CD2 3.23Å; L469-F475 WeakPolarHBondContact O-CD2 3.48Å; L469-F475 WeakPolarHBondContact O-CG 3.43Å; P471-F475 PolarHBondContact O-N 3.22Å; F475-W538 AromaticContact CD2-CH2 3.44Å; F475-W538 HydrophobicContact CD2-CH2 3.44Å; F475-W538 VanDerWaalsContact CD2-CH2 3.44Å; F475-W538 HydrophobicContact CD2-CZ2 4.37Å; F475-W538 HydrophobicContact CD2-CZ3 4.2Å; F475-W538 AromaticContact CE2-CH2 3.18Å; F475-W538 HydrophobicContact CE2-CH2 3.18Å; F475-W538 AromaticContact CE2-CZ2 3.99Å; F475-W538 HydrophobicContact CE2-CZ2 3.99Å; F475-W538 HydrophobicContact CE2-CZ3 4Å; F475-W538 HydrophobicContact CG-CH2 4.27Å; F475-W538 AromaticContact CZ-CH2 3.81Å; F475-W538 HydrophobicContact CZ-CH2 3.81Å; F475-W538 HydrophobicContact CZ-CZ2 4.17Å
476	C	81	Confident	82.6	Confident	29 Å²	29	69.6 Å²	69.6	20%	0.196	35%	0.353	C	S	.	.			trans	-114.9	159.4	167.4	64.5	0	0	0	0	112	Q151 L472 V474 R478 A479	Q151-C476 CarbonylContact O-C 3.54Å; Q151-C476 WeakPolarHBondContact O-CA 3.35Å; Q151-C476 WeakPolarHBondContact O-CB 3.39Å; L472-C476 VanDerWaalsContact O-CB 3.29Å; L472-C476 WeakPolarHBondContact O-CB 3.34Å; V474-C476 PolarHBondContact O-N 3.44Å; C476-R478 PolarHBondContact O-N 3.41Å; C476-R478 VanDerWaalsContact O-N 3.17Å; C476-A479 VanDerWaalsContact O-CB 3.22Å; C476-A479 WeakPolarHBondContact O-CB 3.46Å; C476-A479 PolarHBondContact O-N 3.05Å
477	S	79.1	Confident	83	Confident	11 Å²	11	67.2 Å²	67.2	8%	0.077	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	178.2	66.8	0	0	0	0	113.1	Q151 R152 F154 S155	Q151-S477 PolarHBondContact O-N 2.98Å; Q151-S477 PolarHBondContact O-OG 3.23Å; R152-S477 WeakPolarHBondContact O-CA 3.22Å; R152-S477 PolarHBondContact O-N 3.49Å; F154-S477 VanDerWaalsContact C-CB 3.46Å; F154-S477 WeakPolarHBondContact O-CB 3.43Å; F154-S477 PolarHBondContact O-OG 2.99Å; S155-S477 WeakPolarHBondContact CB-O 3.39Å; S155-S477 PolarHBondContact OG-O 3.2Å
478	R	78.2	Confident	83.3	Confident	178 Å²	178	68.5 Å²	68.5	67%	0.672	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.6	177.1	-60.8	177.9	63.8	179.1	-1.2	112.7	C476 H480	C476-R478 PolarHBondContact O-N 3.41Å; C476-R478 VanDerWaalsContact O-N 3.17Å; R478-H480 PolarHBondContact O-CE1 2.88Å; R478-H480 PolarHBondContact O-ND1 3.39Å
479	A	79.4	Confident	83.6	Confident	9 Å²	9	58.2 Å²	58.2	7%	0.074	30%	0.303	C	S	.	.			trans	-71.9	127.7	180	0	0	0	0	0	110.7	V474 C476 L563	V474-A479 WeakPolarHBondContact O-CB 3.44Å; C476-A479 VanDerWaalsContact O-CB 3.22Å; C476-A479 WeakPolarHBondContact O-CB 3.46Å; C476-A479 PolarHBondContact O-N 3.05Å; A479-L563 HydrophobicContact CB-CD1 3.59Å
480	H	79.9	Confident	83.8	Confident	54 Å²	54	60 Å²	60	25%	0.25	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	97.6	176.8	-69.2	83.4	0	0	0	109.7	R478 H564	R478-H480 PolarHBondContact O-CE1 2.88Å; R478-H480 PolarHBondContact O-ND1 3.39Å; H480-H564 HydrophobicContact CB-CB 4.23Å; H480-H564 WeakPolarHBondContact O-CB 3.44Å; H480-H564 PolarHBondContact O-N 2.97Å; H480-H564 PolarHBondContact O-ND1 2.68Å; H480-H564 VanDerWaalsContact O-ND1 3.15Å
481	W	83.6	Confident	83.7	Confident	71 Å²	71	62.8 Å²	62.8	27%	0.269	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.4	-179.8	-64.3	100.3	0	0	0	111.4	V474 Y527 V561 L563	V474-W481 HydrophobicContact CB-CZ2 4.43Å; V474-W481 HydrophobicContact CG1-CH2 3.58Å; V474-W481 HydrophobicContact CG1-CZ2 3.43Å; V474-W481 VanDerWaalsContact CG1-CZ2 3.43Å; V474-W481 VanDerWaalsContact O-CZ2 3.27Å; V474-W481 WeakPolarHBondContact O-CZ2 3.35Å; W481-Y527 AromaticContact CH2-CD2 3.6Å; W481-Y527 HydrophobicContact CH2-CD2 3.6Å; W481-Y527 AromaticContact CH2-CE2 3.77Å; W481-Y527 HydrophobicContact CH2-CE2 3.77Å; W481-Y527 HydrophobicContact CH2-CG 4.13Å; W481-Y527 AromaticContact CZ3-CD2 3.5Å; W481-Y527 HydrophobicContact CZ3-CD2 3.5Å; W481-Y527 VanDerWaalsContact CZ3-CD2 3.5Å; W481-Y527 HydrophobicContact CZ3-CE2 4.01Å; W481-Y527 HydrophobicContact CZ3-CG 4.14Å; W481-V561 HydrophobicContact CE3-CB 3.99Å; W481-V561 HydrophobicContact CE3-CG2 3.64Å; W481-V561 HydrophobicContact CZ3-CB 4.4Å; W481-V561 HydrophobicContact CZ3-CG2 3.66Å; W481-L563 HydrophobicContact CD2-CD1 4.08Å; W481-L563 HydrophobicContact CE3-CB 4.05Å; W481-L563 HydrophobicContact CE3-CD1 4.31Å; W481-L563 HydrophobicContact CH2-CB 3.78Å; W481-L563 HydrophobicContact CH2-CD1 4.15Å; W481-L563 HydrophobicContact CH2-CD2 4.29Å; W481-L563 HydrophobicContact CH2-CG 4.29Å; W481-L563 HydrophobicContact CZ2-CB 4.38Å; W481-L563 HydrophobicContact CZ2-CD1 3.88Å; W481-L563 HydrophobicContact CZ2-CD2 4.41Å; W481-L563 HydrophobicContact CZ2-CG 4.45Å; W481-L563 HydrophobicContact CZ3-CB 3.59Å; W481-L563 HydrophobicContact CZ3-CD1 4.36Å; W481-L563 HydrophobicContact CZ3-CG 4.47Å
482	G	83.6	Confident	83.6	Confident	10 Å²	10	66.2 Å²	66.2	10%	0.103	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67.8	167.6	167.5	0	0	0	0	0	112.6	T562 H564	G482-T562 PolarHBondContact N-O 3.4Å; G482-H564 WeakPolarHBondContact CA-CE1 3.45Å; G482-H564 PolarHBondContact N-ND1 2.84Å
483	P	85.9	Confident	83	Confident	101 Å²	101	73.9 Å²	73.9	66%	0.656	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-58.7	142.1	170.2	27.3	-33.7	0	0	0	109.7	R485	P483-R485 PolarHBondContact O-N 3.1Å
484	P	89.5	Confident	82.6	Confident	102 Å²	102	73.2 Å²	73.2	66%	0.662	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-54.9	135.5	170.9	-23	33	0	0	0	110.8	V560 V561	P484-V560 WeakPolarHBondContact CA-O 3.44Å; P484-V561 HydrophobicContact CB-CG1 4.17Å; P484-V561 HydrophobicContact CG-CG1 4.16Å
485	R	93.1	Very high	82.8	Confident	55 Å²	55	74.8 Å²	74.8	21%	0.208	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.7	176.5	-61.1	-171.3	-71.8	143.3	-1.4	108.7	P483 G521 D526 S559 V560 T562	P483-R485 PolarHBondContact O-N 3.1Å; R485-G521 PolarHBondContact NH1-O 3.12Å; R485-D526 IonicContact CZ-OD1 3.74Å; R485-D526 IonicContact CZ-OD2 2.71Å; R485-D526 IonicContact NH2-OD1 2.99Å; R485-D526 PolarHBondContact NH2-OD1 2.91Å; R485-D526 IonicContact NH2-OD2 2.84Å; R485-D526 PolarHBondContact NH2-OD2 2.93Å; R485-S559 CarbonylContact O-C 3.43Å; R485-S559 WeakPolarHBondContact O-CA 3.01Å; R485-V560 HydrophobicContact CB-CG2 4.01Å; R485-V560 PolarHBondContact N-O 3.25Å; R485-V560 PolarHBondContact O-N 2.93Å; R485-T562 PolarHBondContact NH2-OG1 2.77Å
486	V	93.9	Very high	83	Confident	87 Å²	87	73 Å²	73	53%	0.527	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	171.8	-178.1	0	0	0	0	107.3	E557	V486-E557 HydrophobicContact CG1-CG 3.31Å
487	I	93.1	Very high	83.3	Confident	7 Å²	7	72.6 Å²	72.6	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.7	-173.9	-65.7	175.4	0	0	0	107.5	L489 A520 L522 I558 V560	I487-L489 HydrophobicContact CG2-CD1 4.21Å; I487-L489 HydrophobicContact CG2-CG 4.39Å; I487-A520 HydrophobicContact CG2-CB 3.66Å; I487-A520 WeakPolarHBondContact CG2-O 3.4Å; I487-L522 HydrophobicContact CD1-CB 4.1Å; I487-L522 HydrophobicContact CD1-CD1 3.56Å; I487-L522 HydrophobicContact CD1-CG 4.46Å; I487-I558 PolarHBondContact N-O 3.23Å; I487-I558 PolarHBondContact O-N 2.93Å; I487-V560 HydrophobicContact CD1-CG2 3.54Å; I487-V560 HydrophobicContact CG1-CG2 4.31Å
488	R	91.7	Very high	83.8	Confident	152 Å²	152	73.4 Å²	73.4	57%	0.574	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.2	176.4	-65.7	-173.5	-179	164.5	-0.6	110.1	A520 E555 V556 E557	R488-A520 WeakPolarHBondContact O-CB 3.4Å; R488-E555 HydrophobicContact CB-CG 4.05Å; R488-E555 VanDerWaalsContact CB-OE1 3.27Å; R488-E555 WeakPolarHBondContact CB-OE1 3.17Å; R488-E555 WeakPolarHBondContact CD-OE1 3.44Å; R488-V556 WeakPolarHBondContact CA-O 3.27Å; R488-E557 IonicContact NE-OE2 2.91Å; R488-E557 PolarHBondContact NE-OE2 3.35Å; R488-E557 IonicContact NH2-OE2 3.36Å
489	L	88.6	Confident	84.5	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.9	-170.5	-110.5	151.2	0	0	0	109.7	I487 M496 L498 C516 A517 A520 L522 E555 V556 I558	I487-L489 HydrophobicContact CG2-CD1 4.21Å; I487-L489 HydrophobicContact CG2-CG 4.39Å; L489-M496 HydrophobicContact CD2-CB 4.3Å; L489-L498 HydrophobicContact CD1-CD2 4.09Å; L489-L498 HydrophobicContact CD2-CD2 4.47Å; L489-C516 HydrophobicContact CD2-CB 4.19Å; L489-A517 HydrophobicContact CD2-CB 4.09Å; L489-A520 HydrophobicContact CG-CB 4.04Å; L489-L522 HydrophobicContact CD1-CD2 4.27Å; L489-E555 CarbonylContact O-C 3.54Å; L489-E555 WeakPolarHBondContact O-CA 3.49Å; L489-V556 PolarHBondContact N-O 2.98Å; L489-V556 PolarHBondContact O-N 2.69Å; L489-I558 HydrophobicContact CD1-CD1 3.37Å; L489-I558 HydrophobicContact CD1-CG1 4.16Å
490	Q	84.9	Confident	85.1	Confident	111 Å²	111	69.9 Å²	69.9	52%	0.519	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.3	176.9	-66.8	-174.2	-6.4	0	0	110.8	R492 R554	Q490-R492 PolarHBondContact O-N 3.23Å; Q490-R554 CarbonylContact C-O 3.54Å; Q490-R554 WeakPolarHBondContact CA-O 3.36Å
491	K	77.5	Confident	85.6	Confident	65 Å²	65	75.9 Å²	75.9	28%	0.283	40%	0.4	S	S	.	.			trans	-73.2	120.3	175.3	-63.5	-174.6	-176.3	-178.1	0	109.6	L548 T549 S551 R554 V556	K491-L548 WeakPolarHBondContact CE-O 3.47Å; K491-L548 PolarHBondContact NZ-O 2.75Å; K491-L548 VanDerWaalsContact NZ-O 3.16Å; K491-T549 PolarHBondContact NZ-O 3.43Å; K491-S551 VanDerWaalsContact CE-OG 3.31Å; K491-S551 WeakPolarHBondContact CE-OG 3.34Å; K491-S551 PolarHBondContact NZ-O 3.42Å; K491-S551 PolarHBondContact NZ-OG 2.65Å; K491-R554 PolarHBondContact N-O 2.87Å; K491-V556 HydrophobicContact CD-CG2 4.29Å; K491-V556 HydrophobicContact CG-CG2 4.24Å
492	R	79.3	Confident	85.7	Confident	122 Å²	122	74.5 Å²	74.5	46%	0.46	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-113.3	165.4	171.6	-63.6	-169.5	-170.8	152	4.8	110.7	Q490 G494 G495 C516 E519	Q490-R492 PolarHBondContact O-N 3.23Å; R492-G494 PolarHBondContact O-N 2.96Å; R492-G494 VanDerWaalsContact O-N 3.07Å; R492-G495 PolarHBondContact O-N 3.11Å; R492-C516 WeakPolarHBondContact CD-SG 3.41Å; R492-C516 WeakPolarHBondContact CG-SG 3.4Å; R492-E519 IonicContact CZ-OE2 3.32Å; R492-E519 IonicContact NH1-OE1 2.8Å; R492-E519 IonicContact NH1-OE2 3.38Å; R492-E519 PolarHBondContact NH1-OE2 3Å; R492-E519 VanDerWaalsContact NH1-OE2 3.14Å; R492-E519 IonicContact NH2-OE2 3.17Å; R492-E519 PolarHBondContact NH2-OE2 3.12Å
493	E	70.4	Confident	85.7	Confident	211 Å²	211	78.6 Å²	78.6	99%	0.986	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.2	-177.4	-67.6	-176.6	166.3	0	0	113.9
494	G	68.3	Low	85.6	Confident	80 Å²	80	75.3 Å²	75.3	83%	0.825	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	11.1	175.2	0	0	0	0	0	115.7	R492	R492-G494 PolarHBondContact O-N 2.96Å; R492-G494 VanDerWaalsContact O-N 3.07Å
495	G	79.6	Confident	85.5	Confident	39 Å²	39	70.8 Å²	70.8	40%	0.402	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	85	-168.6	-175.1	0	0	0	0	0	113.5	R492	R492-G495 PolarHBondContact O-N 3.11Å
496	M	82.7	Confident	85.4	Confident	39 Å²	39	68.2 Å²	68.2	19%	0.192	37%	0.367	C	S	.	.			trans	-87.2	-7	-175.3	-63	178.4	-75.8	0	0	113.9	L489 L498 A517 L548	L489-M496 HydrophobicContact CD2-CB 4.3Å; M496-L498 HydrophobicContact CB-CD2 3.54Å; M496-L498 HydrophobicContact CB-CG 4.2Å; M496-L498 HydrophobicContact SD-CD2 4.45Å; M496-A517 VanDerWaalsContact O-CB 3.31Å; M496-A517 WeakPolarHBondContact O-CB 3.31Å; M496-A517 PolarHBondContact O-N 3.18Å; M496-L548 HydrophobicContact CE-CB 3.99Å; M496-L548 HydrophobicContact CE-CD1 4.45Å; M496-L548 HydrophobicContact SD-CB 4.45Å
497	G	86.4	Confident	85.3	Confident	19 Å²	19	66.1 Å²	66.1	20%	0.196	35%	0.353	C	S	.	.	S	Bend	trans	67.8	32.2	178.4	0	0	0	0	0	114.6	V512	G497-V512 WeakPolarHBondContact O-CG2 3.45Å; G497-V512 PolarHBondContact O-N 3.48Å
498	L	90.9	Very high	85.3	Confident	28 Å²	28	65.8 Å²	65.8	15%	0.147	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.8	179	67.8	105.9	0	0	0	111.5	L489 M496 L500 G510 A517 L522	L489-L498 HydrophobicContact CD1-CD2 4.09Å; L489-L498 HydrophobicContact CD2-CD2 4.47Å; M496-L498 HydrophobicContact CB-CD2 3.54Å; M496-L498 HydrophobicContact CB-CG 4.2Å; M496-L498 HydrophobicContact SD-CD2 4.45Å; L498-L500 HydrophobicContact CD1-CD1 4.21Å; L498-L500 HydrophobicContact CD1-CD2 3.33Å; L498-L500 HydrophobicContact CD1-CG 3.57Å; L498-G510 CarbonylContact C-O 3.56Å; L498-G510 WeakPolarHBondContact CA-O 2.94Å; L498-A517 HydrophobicContact CB-CB 3.9Å; L498-A517 HydrophobicContact CD2-CB 4.1Å; L498-L522 HydrophobicContact CB-CD2 4.03Å; L498-L522 HydrophobicContact CD2-CD2 3.9Å; L498-L522 HydrophobicContact CG-CD2 4.38Å
499	T	91.3	Very high	85.3	Confident	87 Å²	87	60.1 Å²	60.1	53%	0.534	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.7	176.6	-56.4	0	0	0	0	109.4	A509 G510	T499-A509 PolarHBondContact O-N 3.48Å; T499-G510 PolarHBondContact N-O 2.98Å; T499-G510 PolarHBondContact O-N 3.4Å
500	L	93.1	Very high	85.5	Confident	27 Å²	27	60.8 Å²	60.8	14%	0.141	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.6	179.6	-61.2	-178.8	0	0	0	111.3	L498 V506 L507 V508 I528 V545 L548	L498-L500 HydrophobicContact CD1-CD1 4.21Å; L498-L500 HydrophobicContact CD1-CD2 3.33Å; L498-L500 HydrophobicContact CD1-CG 3.57Å; L500-V506 HydrophobicContact CB-CG1 3.75Å; L500-V506 HydrophobicContact CD1-CG1 4.02Å; L500-V506 HydrophobicContact CD2-CG1 4.09Å; L500-V506 HydrophobicContact CG-CG1 4.16Å; L500-L507 CarbonylContact C-O 3.47Å; L500-L507 WeakPolarHBondContact CA-O 3.38Å; L500-V508 HydrophobicContact CD2-CG2 4.06Å; L500-I528 HydrophobicContact CD1-CD1 4.26Å; L500-I528 HydrophobicContact CD2-CD1 3.6Å; L500-V545 HydrophobicContact CD1-CG2 4.14Å; L500-L548 HydrophobicContact CD1-CD1 3.68Å
501	R	90.7	Very high	85.8	Confident	180 Å²	180	57 Å²	57	68%	0.679	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.1	176.4	-172	178.1	177.3	-174.6	0.2	111.1	L507 A509	R501-L507 PolarHBondContact N-O 3.34Å; R501-L507 WeakPolarHBondContact O-CB 3.42Å; R501-L507 PolarHBondContact O-N 2.9Å; R501-A509 HydrophobicContact CB-CB 3.66Å
502	G	85.6	Confident	86.5	Confident	41 Å²	41	57.5 Å²	57.5	42%	0.423	34%	0.337	S	S	.	.			trans	78.2	172.4	174.7	0	0	0	0	0	113
503	D	83.1	Confident	87	Confident	96 Å²	96	57 Å²	57	51%	0.513	35%	0.349	S	S	.	.	S	Bend	trans	-129.5	142	-177.8	-71	-44	0	0	0	109.8	H541	D503-H541 WeakPolarHBondContact OD1-CA 3.4Å; D503-H541 WeakPolarHBondContact OD1-CB 3.49Å; D503-H541 PolarHBondContact OD1-N 3.09Å
504	S	83.9	Confident	87.7	Confident	32 Å²	32	49.5 Å²	49.5	22%	0.224	33%	0.329	C	S	.	.	S	Bend	trans	47.5	60.7	166	-48.7	0	0	0	0	115.1	P471 K537 W538 A539	P471-S504 WeakPolarHBondContact CD-O 3.48Å; P471-S504 WeakPolarHBondContact CG-O 3.39Å; S504-K537 CarbonylContact C-O 3.58Å; S504-K537 WeakPolarHBondContact CA-O 3.41Å; S504-W538 PolarHBondContact OG-O 3.35Å; S504-A539 PolarHBondContact N-O 2.91Å; S504-A539 PolarHBondContact OG-O 3.46Å
505	P	87.2	Confident	88.6	Confident	8 Å²	8	46.3 Å²	46.3	5%	0.052	30%	0.296	C	S	.	.	S	Bend	cis	-103	156	14.7	15.4	3.7	0	0	0	114	V474 Y527 K537 W538	V474-P505 HydrophobicContact CG1-CG 3.71Å; V474-P505 HydrophobicContact CG2-CG 4.48Å; P505-Y527 HydrophobicContact CB-CD1 3.87Å; P505-Y527 HydrophobicContact CG-CD1 3.64Å; P505-Y527 HydrophobicContact CG-CE1 4.2Å; P505-Y527 HydrophobicContact CG-CG 4.37Å; P505-K537 WeakPolarHBondContact CA-O 3.32Å; P505-K537 VanDerWaalsContact CB-O 3.24Å; P505-K537 WeakPolarHBondContact CB-O 3.41Å; P505-W538 HydrophobicContact CG-CZ3 4.2Å
506	V	91.3	Very high	89	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.7	127.7	175.8	-177.9	0	0	0	0	110.1	L500 I528 V544	L500-V506 HydrophobicContact CB-CG1 3.75Å; L500-V506 HydrophobicContact CD1-CG1 4.02Å; L500-V506 HydrophobicContact CD2-CG1 4.09Å; L500-V506 HydrophobicContact CG-CG1 4.16Å; V506-I528 PolarHBondContact O-N 3.08Å; V506-V544 HydrophobicContact CB-CB 4.47Å; V506-V544 HydrophobicContact CB-CG1 4.38Å; V506-V544 HydrophobicContact CB-CG2 4.29Å; V506-V544 HydrophobicContact CG2-CB 3.92Å; V506-V544 HydrophobicContact CG2-CG1 4.37Å; V506-V544 HydrophobicContact CG2-CG2 3.56Å
507	L	91.9	Very high	89.4	Confident	44 Å²	44	43.2 Å²	43.2	23%	0.23	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.5	-178.6	176.7	66	0	0	0	110.6	L500 R501 A509 Y527	L500-L507 CarbonylContact C-O 3.47Å; L500-L507 WeakPolarHBondContact CA-O 3.38Å; R501-L507 PolarHBondContact N-O 3.34Å; R501-L507 WeakPolarHBondContact O-CB 3.42Å; R501-L507 PolarHBondContact O-N 2.9Å; L507-A509 PolarHBondContact O-N 3.21Å; L507-Y527 HydrophobicContact CB-CD1 4.21Å; L507-Y527 HydrophobicContact CB-CE1 4.01Å; L507-Y527 HydrophobicContact CD1-CD1 4.24Å; L507-Y527 HydrophobicContact CD1-CD2 3.98Å; L507-Y527 HydrophobicContact CD1-CE1 4.05Å; L507-Y527 HydrophobicContact CD1-CE2 3.78Å; L507-Y527 HydrophobicContact CD1-CG 4.24Å
508	V	93.8	Very high	89.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	102.3	165	-177.4	0	0	0	0	108	L500 V511 L522 G525 D526 I528	L500-V508 HydrophobicContact CD2-CG2 4.06Å; V508-V511 HydrophobicContact CG1-CG2 3.69Å; V508-L522 HydrophobicContact CG1-CD2 3.92Å; V508-L522 HydrophobicContact CG1-CG 4.19Å; V508-L522 HydrophobicContact CG2-CD1 4.1Å; V508-L522 HydrophobicContact CG2-CD2 3.88Å; V508-L522 HydrophobicContact CG2-CG 4.13Å; V508-G525 PolarHBondContact O-N 3.46Å; V508-D526 HydrophobicContact CB-CB 4.23Å; V508-D526 WeakPolarHBondContact CB-O 3.36Å; V508-D526 HydrophobicContact CG2-CB 4.06Å; V508-D526 WeakPolarHBondContact CG2-O 3.38Å; V508-D526 PolarHBondContact N-O 3.5Å; V508-I528 HydrophobicContact CG2-CD1 4.39Å; V508-I528 HydrophobicContact CG2-CG1 4.22Å
509	A	91.8	Very high	89.5	Confident	32 Å²	32	51.4 Å²	51.4	26%	0.264	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-13.7	-177.3	0	0	0	0	0	113.5	T499 R501 L507	T499-A509 PolarHBondContact O-N 3.48Å; R501-A509 HydrophobicContact CB-CB 3.66Å; L507-A509 PolarHBondContact O-N 3.21Å
510	G	91.2	Very high	89.5	Confident	16 Å²	16	48.9 Å²	48.9	17%	0.165	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	148.7	176.8	0	0	0	0	0	111.1	L498 T499	L498-G510 CarbonylContact C-O 3.56Å; L498-G510 WeakPolarHBondContact CA-O 2.94Å; T499-G510 PolarHBondContact N-O 2.98Å; T499-G510 PolarHBondContact O-N 3.4Å
511	V	92.9	Very high	89.3	Confident	30 Å²	30	48.9 Å²	48.9	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.5	175.2	179.5	0	0	0	0	107.1	V508 P513 A517 E518 L522	V508-V511 HydrophobicContact CG1-CG2 3.69Å; V511-P513 WeakPolarHBondContact O-CD 3.13Å; V511-A517 HydrophobicContact CG1-CB 3.79Å; V511-E518 HydrophobicContact CG1-CB 3.69Å; V511-L522 HydrophobicContact CG2-CG 4.44Å
512	V	91.1	Very high	89.4	Confident	76 Å²	76	40.5 Å²	40.5	46%	0.461	27%	0.268	S	S	.	.			trans	-72.3	125.4	-179.2	177.4	0	0	0	0	109.1	G497 G514 G515	G497-V512 WeakPolarHBondContact O-CG2 3.45Å; G497-V512 PolarHBondContact O-N 3.48Å; V512-G514 PolarHBondContact O-N 3.43Å; V512-G515 WeakPolarHBondContact O-CA 3.41Å; V512-G515 PolarHBondContact O-N 2.96Å
513	P	89.1	Confident	89.7	Confident	111 Å²	111	45.9 Å²	45.9	72%	0.721	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	132	176.8	-24.3	34	0	0	0	112.1	V511 G515 E518	V511-P513 WeakPolarHBondContact O-CD 3.13Å; P513-G515 PolarHBondContact O-N 3.24Å; P513-E518 WeakPolarHBondContact CA-OE2 3.47Å
514	G	85.2	Confident	90.1	Very high	54 Å²	54	48 Å²	48	56%	0.557	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	9.5	-173.9	0	0	0	0	0	114.4	V512 E518	V512-G514 PolarHBondContact O-N 3.43Å; G514-E518 PolarHBondContact N-OE2 3.24Å
515	G	87.1	Confident	90.3	Very high	13 Å²	13	47.7 Å²	47.7	13%	0.134	28%	0.284	C	S	.	.	S	Bend	trans	-85.7	168.3	178.8	0	0	0	0	0	113.2	V512 P513 A517 E518 E519	V512-G515 WeakPolarHBondContact O-CA 3.41Å; V512-G515 PolarHBondContact O-N 2.96Å; P513-G515 PolarHBondContact O-N 3.24Å; G515-A517 VanDerWaalsContact C-N 3.26Å; G515-A517 PolarHBondContact O-N 2.82Å; G515-E518 PolarHBondContact O-N 2.67Å; G515-E518 VanDerWaalsContact O-N 3.07Å; G515-E519 WeakPolarHBondContact O-CG 3.39Å; G515-E519 PolarHBondContact O-N 3.39Å
516	C	88.4	Confident	90.5	Very high	14 Å²	14	47.3 Å²	47.3	10%	0.095	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-37.6	-178.1	-56.8	0	0	0	0	113.6	L489 R492 A520	L489-C516 HydrophobicContact CD2-CB 4.19Å; R492-C516 WeakPolarHBondContact CD-SG 3.41Å; R492-C516 WeakPolarHBondContact CG-SG 3.4Å; C516-A520 VanDerWaalsContact O-CB 3.23Å; C516-A520 WeakPolarHBondContact O-CB 3.49Å; C516-A520 PolarHBondContact O-N 3.49Å
517	A	90.8	Very high	90.6	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-39.6	176.8	0	0	0	0	0	113.3	L489 M496 L498 V511 G515 A520 G521 L522	L489-A517 HydrophobicContact CD2-CB 4.09Å; M496-A517 VanDerWaalsContact O-CB 3.31Å; M496-A517 WeakPolarHBondContact O-CB 3.31Å; M496-A517 PolarHBondContact O-N 3.18Å; L498-A517 HydrophobicContact CB-CB 3.9Å; L498-A517 HydrophobicContact CD2-CB 4.1Å; V511-A517 HydrophobicContact CG1-CB 3.79Å; G515-A517 VanDerWaalsContact C-N 3.26Å; G515-A517 PolarHBondContact O-N 2.82Å; A517-A520 PolarHBondContact O-N 3.32Å; A517-G521 PolarHBondContact O-N 3.45Å; A517-L522 HydrophobicContact CB-CB 4.12Å; A517-L522 HydrophobicContact CB-CD2 3.94Å; A517-L522 WeakPolarHBondContact O-CB 3.32Å; A517-L522 PolarHBondContact O-N 3.21Å
518	E	90.4	Very high	90.6	Very high	101 Å²	101	46.9 Å²	46.9	47%	0.472	28%	0.277	S	S	.	.	H	α-helix	trans	-69.6	-45.1	176.5	-168.1	176	-126.8	0	0	110.8	V511 P513 G514 G515 A520 G521	V511-E518 HydrophobicContact CG1-CB 3.69Å; P513-E518 WeakPolarHBondContact CA-OE2 3.47Å; G514-E518 PolarHBondContact N-OE2 3.24Å; G515-E518 PolarHBondContact O-N 2.67Å; G515-E518 VanDerWaalsContact O-N 3.07Å; E518-A520 PolarHBondContact O-N 3.42Å; E518-G521 WeakPolarHBondContact O-CA 3.37Å; E518-G521 PolarHBondContact O-N 2.94Å
519	E	89.9	Confident	90.6	Very high	118 Å²	118	48.1 Å²	48.1	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-57.7	-36.7	176	-70.9	177.7	176.7	0	0	112	R492 G515 G521	R492-E519 IonicContact CZ-OE2 3.32Å; R492-E519 IonicContact NH1-OE1 2.8Å; R492-E519 IonicContact NH1-OE2 3.38Å; R492-E519 PolarHBondContact NH1-OE2 3Å; R492-E519 VanDerWaalsContact NH1-OE2 3.14Å; R492-E519 IonicContact NH2-OE2 3.17Å; R492-E519 PolarHBondContact NH2-OE2 3.12Å; G515-E519 WeakPolarHBondContact O-CG 3.39Å; G515-E519 PolarHBondContact O-N 3.39Å; E519-G521 VanDerWaalsContact C-N 3.27Å; E519-G521 PolarHBondContact O-N 2.75Å
520	A	90.1	Very high	90.7	Very high	33 Å²	33	47.2 Å²	47.2	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.3	176.1	0	0	0	0	0	113.6	I487 R488 L489 C516 A517 E518	I487-A520 HydrophobicContact CG2-CB 3.66Å; I487-A520 WeakPolarHBondContact CG2-O 3.4Å; R488-A520 WeakPolarHBondContact O-CB 3.4Å; L489-A520 HydrophobicContact CG-CB 4.04Å; C516-A520 VanDerWaalsContact O-CB 3.23Å; C516-A520 WeakPolarHBondContact O-CB 3.49Å; C516-A520 PolarHBondContact O-N 3.49Å; A517-A520 PolarHBondContact O-N 3.32Å; E518-A520 PolarHBondContact O-N 3.42Å
521	G	89.4	Confident	90.8	Very high	28 Å²	28	46.6 Å²	46.6	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	15.5	178	0	0	0	0	0	115.4	R485 A517 E518 E519	R485-G521 PolarHBondContact NH1-O 3.12Å; A517-G521 PolarHBondContact O-N 3.45Å; E518-G521 WeakPolarHBondContact O-CA 3.37Å; E518-G521 PolarHBondContact O-N 2.94Å; E519-G521 VanDerWaalsContact C-N 3.27Å; E519-G521 PolarHBondContact O-N 2.75Å
522	L	92.6	Very high	90.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	28%	0.282	C	S	.	.			trans	-70.2	142.1	170	-163.7	70.6	0	0	0	109.6	I487 L489 L498 V508 V511 A517 D526 V560	I487-L522 HydrophobicContact CD1-CB 4.1Å; I487-L522 HydrophobicContact CD1-CD1 3.56Å; I487-L522 HydrophobicContact CD1-CG 4.46Å; L489-L522 HydrophobicContact CD1-CD2 4.27Å; L498-L522 HydrophobicContact CB-CD2 4.03Å; L498-L522 HydrophobicContact CD2-CD2 3.9Å; L498-L522 HydrophobicContact CG-CD2 4.38Å; V508-L522 HydrophobicContact CG1-CD2 3.92Å; V508-L522 HydrophobicContact CG1-CG 4.19Å; V508-L522 HydrophobicContact CG2-CD1 4.1Å; V508-L522 HydrophobicContact CG2-CD2 3.88Å; V508-L522 HydrophobicContact CG2-CG 4.13Å; V511-L522 HydrophobicContact CG2-CG 4.44Å; A517-L522 HydrophobicContact CB-CB 4.12Å; A517-L522 HydrophobicContact CB-CD2 3.94Å; A517-L522 WeakPolarHBondContact O-CB 3.32Å; A517-L522 PolarHBondContact O-N 3.21Å; L522-D526 HydrophobicContact CD1-CB 4.28Å; L522-V560 HydrophobicContact CD1-CG1 3.77Å; L522-V560 HydrophobicContact CD1-CG2 4.42Å
523	R	91.4	Very high	90.6	Very high	154 Å²	154	48.4 Å²	48.4	58%	0.581	29%	0.291	S	S	*	.			trans	-127.7	149.9	-176.8	-60.2	178.1	-175.6	171.5	-0.5	110.6	G525 D526	R523-G525 PolarHBondContact O-N 2.8Å; R523-D526 PolarHBondContact N-OD2 3.34Å; R523-D526 VanDerWaalsContact O-CB 3.28Å; R523-D526 WeakPolarHBondContact O-CB 3.24Å; R523-D526 PolarHBondContact O-N 3.28Å
524	E	91.6	Very high	90.7	Very high	140 Å²	140	48.8 Å²	48.8	65%	0.654	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	136.1	163.6	-173.6	179.9	161.8	0	0	109.5
525	G	88.3	Confident	91	Very high	25 Å²	25	50.6 Å²	50.6	26%	0.258	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-3.7	-174.8	0	0	0	0	0	114.8	V508 R523	V508-G525 PolarHBondContact O-N 3.46Å; R523-G525 PolarHBondContact O-N 2.8Å
526	D	92.4	Very high	91.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.1	173.9	-76.9	-24.6	0	0	0	111.8	R485 V508 L522 R523 V560 T562	R485-D526 IonicContact CZ-OD1 3.74Å; R485-D526 IonicContact CZ-OD2 2.71Å; R485-D526 IonicContact NH2-OD1 2.99Å; R485-D526 PolarHBondContact NH2-OD1 2.91Å; R485-D526 IonicContact NH2-OD2 2.84Å; R485-D526 PolarHBondContact NH2-OD2 2.93Å; V508-D526 HydrophobicContact CB-CB 4.23Å; V508-D526 WeakPolarHBondContact CB-O 3.36Å; V508-D526 HydrophobicContact CG2-CB 4.06Å; V508-D526 WeakPolarHBondContact CG2-O 3.38Å; V508-D526 PolarHBondContact N-O 3.5Å; L522-D526 HydrophobicContact CD1-CB 4.28Å; R523-D526 PolarHBondContact N-OD2 3.34Å; R523-D526 VanDerWaalsContact O-CB 3.28Å; R523-D526 WeakPolarHBondContact O-CB 3.24Å; R523-D526 PolarHBondContact O-N 3.28Å; D526-V560 HydrophobicContact CB-CB 4.06Å; D526-V560 HydrophobicContact CB-CG1 4.38Å; D526-V560 HydrophobicContact CB-CG2 4.23Å; D526-T562 WeakPolarHBondContact OD1-CB 3.39Å; D526-T562 PolarHBondContact OD1-OG1 3.46Å
527	Y	92.5	Very high	91.3	Very high	35 Å²	35	52.6 Å²	52.6	14%	0.137	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.3	170.1	-72.3	-90.9	0	0	0	110	V474 W481 P505 L507 V560 V561 L563	V474-Y527 HydrophobicContact CG2-CE1 4.23Å; W481-Y527 AromaticContact CH2-CD2 3.6Å; W481-Y527 HydrophobicContact CH2-CD2 3.6Å; W481-Y527 AromaticContact CH2-CE2 3.77Å; W481-Y527 HydrophobicContact CH2-CE2 3.77Å; W481-Y527 HydrophobicContact CH2-CG 4.13Å; W481-Y527 AromaticContact CZ3-CD2 3.5Å; W481-Y527 HydrophobicContact CZ3-CD2 3.5Å; W481-Y527 VanDerWaalsContact CZ3-CD2 3.5Å; W481-Y527 HydrophobicContact CZ3-CE2 4.01Å; W481-Y527 HydrophobicContact CZ3-CG 4.14Å; P505-Y527 HydrophobicContact CB-CD1 3.87Å; P505-Y527 HydrophobicContact CG-CD1 3.64Å; P505-Y527 HydrophobicContact CG-CE1 4.2Å; P505-Y527 HydrophobicContact CG-CG 4.37Å; L507-Y527 HydrophobicContact CB-CD1 4.21Å; L507-Y527 HydrophobicContact CB-CE1 4.01Å; L507-Y527 HydrophobicContact CD1-CD1 4.24Å; L507-Y527 HydrophobicContact CD1-CD2 3.98Å; L507-Y527 HydrophobicContact CD1-CE1 4.05Å; L507-Y527 HydrophobicContact CD1-CE2 3.78Å; L507-Y527 HydrophobicContact CD1-CG 4.24Å; Y527-V560 CarbonylContact O-C 3.58Å; Y527-V560 WeakPolarHBondContact O-CA 3.2Å; Y527-V560 WeakPolarHBondContact O-CB 3.37Å; Y527-V561 PolarHBondContact N-O 3.49Å; Y527-V561 PolarHBondContact O-N 2.89Å; Y527-L563 HydrophobicContact CD2-CB 4.3Å; Y527-L563 HydrophobicContact CE2-CB 3.82Å; Y527-L563 HydrophobicContact CE2-CD2 4.33Å
528	I	93.1	Very high	91.1	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.5	176.8	-57.6	178.9	0	0	0	108.9	L500 V506 V508 V531 V544 L548 I558 V560	L500-I528 HydrophobicContact CD1-CD1 4.26Å; L500-I528 HydrophobicContact CD2-CD1 3.6Å; V506-I528 PolarHBondContact O-N 3.08Å; V508-I528 HydrophobicContact CG2-CD1 4.39Å; V508-I528 HydrophobicContact CG2-CG1 4.22Å; I528-V531 HydrophobicContact CG2-CG2 3.94Å; I528-V544 HydrophobicContact CD1-CG1 4.24Å; I528-V544 HydrophobicContact CG2-CG1 4.28Å; I528-L548 HydrophobicContact CD1-CD1 4.34Å; I528-I558 HydrophobicContact CB-CG2 4.46Å; I528-I558 HydrophobicContact CD1-CG2 4.39Å; I528-I558 HydrophobicContact CG1-CG2 4.12Å; I528-I558 HydrophobicContact CG2-CG2 3.74Å; I528-V560 HydrophobicContact CG1-CG1 4.28Å
529	V	92.4	Very high	91	Very high	26 Å²	26	52.4 Å²	52.4	16%	0.158	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-27.4	-178.5	-61.4	0	0	0	0	113.1	C536 K537 S559 V561	V529-C536 PolarHBondContact O-N 2.92Å; V529-K537 HydrophobicContact CB-CD 4.36Å; V529-K537 HydrophobicContact CB-CG 3.67Å; V529-K537 HydrophobicContact CG1-CD 4.49Å; V529-K537 HydrophobicContact CG1-CG 3.86Å; V529-K537 PolarHBondContact O-N 3.34Å; V529-S559 WeakPolarHBondContact CG2-O 3.48Å; V529-S559 PolarHBondContact N-O 3.23Å; V529-V561 HydrophobicContact CG1-CG1 4.33Å; V529-V561 HydrophobicContact CG1-CG2 3.6Å
530	A	94.3	Very high	91	Very high	12 Å²	12	53.3 Å²	53.3	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	152.6	172.2	0	0	0	0	0	111.3	Q534 S559	A530-Q534 CarbonylContact C-O 3.56Å; A530-Q534 WeakPolarHBondContact CA-O 3.27Å; A530-Q534 VanDerWaalsContact CB-O 3.23Å; A530-Q534 WeakPolarHBondContact CB-O 3.44Å; A530-S559 PolarHBondContact N-O 3.32Å; A530-S559 PolarHBondContact O-N 3.22Å
531	V	93.6	Very high	91.1	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	172.6	179.2	0	0	0	0	107.8	I528 G533 Q534 V544 M547 L548 V556 E557	I528-V531 HydrophobicContact CG2-CG2 3.94Å; V531-G533 PolarHBondContact O-N 3.15Å; V531-G533 VanDerWaalsContact O-N 3.16Å; V531-Q534 PolarHBondContact N-O 3.49Å; V531-Q534 WeakPolarHBondContact O-CB 3.5Å; V531-Q534 PolarHBondContact O-N 3.18Å; V531-V544 HydrophobicContact CG2-CG1 4.49Å; V531-M547 HydrophobicContact CB-CB 4.11Å; V531-M547 HydrophobicContact CG1-CB 4.09Å; V531-M547 HydrophobicContact CG2-CB 4.44Å; V531-L548 HydrophobicContact CB-CD2 4.45Å; V531-L548 HydrophobicContact CG1-CD2 3.79Å; V531-L548 HydrophobicContact CG1-CG 4.35Å; V531-L548 HydrophobicContact CG2-CD2 3.73Å; V531-L548 HydrophobicContact CG2-CG 4.09Å; V531-V556 HydrophobicContact CG1-CG1 3.8Å; V531-E557 CarbonylContact C-O 3.58Å; V531-E557 WeakPolarHBondContact CA-O 3.35Å
532	D	91.2	Very high	91.2	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	40.9	-176.4	-61.2	-35.3	0	0	0	113.1	Q534 S551 E557	D532-Q534 PolarHBondContact O-N 3.24Å; D532-S551 WeakPolarHBondContact OD2-CB 3.47Å; D532-E557 PolarHBondContact N-O 3.41Å; D532-E557 PolarHBondContact OD1-N 3.23Å
533	G	88.2	Confident	91.2	Very high	63 Å²	63	60 Å²	60	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-5.4	-178.2	0	0	0	0	0	115.4	V531	V531-G533 PolarHBondContact O-N 3.15Å; V531-G533 VanDerWaalsContact O-N 3.16Å
534	Q	92.1	Very high	91.2	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.8	176	-170.7	173.1	0.7	0	0	111.3	A530 V531 D532 C536 M547	A530-Q534 CarbonylContact C-O 3.56Å; A530-Q534 WeakPolarHBondContact CA-O 3.27Å; A530-Q534 VanDerWaalsContact CB-O 3.23Å; A530-Q534 WeakPolarHBondContact CB-O 3.44Å; V531-Q534 PolarHBondContact N-O 3.49Å; V531-Q534 WeakPolarHBondContact O-CB 3.5Å; V531-Q534 PolarHBondContact O-N 3.18Å; D532-Q534 PolarHBondContact O-N 3.24Å; Q534-C536 PolarHBondContact O-N 3.18Å; Q534-M547 HydrophobicContact CG-CE 4.42Å
535	D	91.4	Very high	91.2	Very high	93 Å²	93	48.5 Å²	48.5	50%	0.497	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.1	178.6	-165.5	96.3	0	0	0	111.3	K537	D535-K537 WeakPolarHBondContact OD1-CE 3.32Å; D535-K537 IonicContact OD1-NZ 2.81Å; D535-K537 PolarHBondContact OD1-NZ 3.08Å; D535-K537 WeakPolarHBondContact OD2-CE 3.39Å; D535-K537 IonicContact OD2-NZ 3.06Å
536	C	91.8	Very high	91.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	28%	0.284	C	S	.	.			trans	-132.7	16.4	-178.5	75	0	0	0	0	112.8	V529 Q534 W538 A539 V544 M547	V529-C536 PolarHBondContact O-N 2.92Å; Q534-C536 PolarHBondContact O-N 3.18Å; C536-W538 PolarHBondContact O-N 3.44Å; C536-A539 HydrophobicContact CB-CB 3.99Å; C536-A539 WeakPolarHBondContact O-CB 3.4Å; C536-A539 PolarHBondContact O-N 3.28Å; C536-A539 VanDerWaalsContact O-N 3.08Å; C536-V544 HydrophobicContact CB-CG2 4.15Å; C536-M547 HydrophobicContact CB-SD 3.74Å
537	K	88.7	Confident	91.3	Very high	67 Å²	67	54.5 Å²	54.5	29%	0.291	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-38.7	-179.5	-77.2	173.7	-62.7	-142.6	0	113.1	S504 P505 V529 D535	S504-K537 CarbonylContact C-O 3.58Å; S504-K537 WeakPolarHBondContact CA-O 3.41Å; P505-K537 WeakPolarHBondContact CA-O 3.32Å; P505-K537 VanDerWaalsContact CB-O 3.24Å; P505-K537 WeakPolarHBondContact CB-O 3.41Å; V529-K537 HydrophobicContact CB-CD 4.36Å; V529-K537 HydrophobicContact CB-CG 3.67Å; V529-K537 HydrophobicContact CG1-CD 4.49Å; V529-K537 HydrophobicContact CG1-CG 3.86Å; V529-K537 PolarHBondContact O-N 3.34Å; D535-K537 WeakPolarHBondContact OD1-CE 3.32Å; D535-K537 IonicContact OD1-NZ 2.81Å; D535-K537 PolarHBondContact OD1-NZ 3.08Å; D535-K537 WeakPolarHBondContact OD2-CE 3.39Å; D535-K537 IonicContact OD2-NZ 3.06Å
538	W	87.5	Confident	91.1	Very high	86 Å²	86	52.9 Å²	52.9	33%	0.326	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	4.9	-175.3	-47.6	128.2	0	0	0	113.7	R468 L469 F475 S504 P505 C536	R468-W538 PolarHBondContact O-NE1 3.35Å; L469-W538 VanDerWaalsContact C-CH2 3.41Å; L469-W538 WeakPolarHBondContact O-CH2 3.3Å; L469-W538 WeakPolarHBondContact O-CZ2 3.39Å; F475-W538 AromaticContact CD2-CH2 3.44Å; F475-W538 HydrophobicContact CD2-CH2 3.44Å; F475-W538 VanDerWaalsContact CD2-CH2 3.44Å; F475-W538 HydrophobicContact CD2-CZ2 4.37Å; F475-W538 HydrophobicContact CD2-CZ3 4.2Å; F475-W538 AromaticContact CE2-CH2 3.18Å; F475-W538 HydrophobicContact CE2-CH2 3.18Å; F475-W538 AromaticContact CE2-CZ2 3.99Å; F475-W538 HydrophobicContact CE2-CZ2 3.99Å; F475-W538 HydrophobicContact CE2-CZ3 4Å; F475-W538 HydrophobicContact CG-CH2 4.27Å; F475-W538 AromaticContact CZ-CH2 3.81Å; F475-W538 HydrophobicContact CZ-CH2 3.81Å; F475-W538 HydrophobicContact CZ-CZ2 4.17Å; S504-W538 PolarHBondContact OG-O 3.35Å; P505-W538 HydrophobicContact CG-CZ3 4.2Å; C536-W538 PolarHBondContact O-N 3.44Å
539	A	88.7	Confident	90.7	Very high	11 Å²	11	56.8 Å²	56.8	9%	0.091	31%	0.31	C	S	.	.			trans	-67.7	149.9	175.7	0	0	0	0	0	110.5	S504 C536 E543 V544	S504-A539 PolarHBondContact N-O 2.91Å; S504-A539 PolarHBondContact OG-O 3.46Å; C536-A539 HydrophobicContact CB-CB 3.99Å; C536-A539 WeakPolarHBondContact O-CB 3.4Å; C536-A539 PolarHBondContact O-N 3.28Å; C536-A539 VanDerWaalsContact O-N 3.08Å; A539-E543 VanDerWaalsContact CA-OE2 3.29Å; A539-E543 WeakPolarHBondContact CA-OE2 3.18Å; A539-E543 HydrophobicContact CB-CB 4.05Å; A539-E543 WeakPolarHBondContact CB-OE2 3.04Å; A539-V544 HydrophobicContact CB-CG2 3.78Å
540	K	90.5	Very high	90.2	Very high	137 Å²	137	60 Å²	60	60%	0.596	33%	0.334	S	S	*	.			trans	-73.1	160	173.9	-67.7	-177.4	179.7	177.6	0	110.3	G542 E543 V544	K540-G542 VanDerWaalsContact C-N 3.28Å; K540-G542 PolarHBondContact O-N 2.83Å; K540-E543 PolarHBondContact N-OE2 3.02Å; K540-E543 WeakPolarHBondContact O-CB 3.46Å; K540-E543 PolarHBondContact O-N 3.28Å; K540-V544 PolarHBondContact O-N 3.18Å; K540-V544 VanDerWaalsContact O-N 3.11Å
541	H	91.6	Very high	89	Confident	70 Å²	70	60.2 Å²	60.2	32%	0.324	34%	0.335	S	S	.	.	H	α-helix	trans	-47.4	-49.4	178.7	178.2	88	0	0	0	112.8	D503 E543 V544 V545	D503-H541 WeakPolarHBondContact OD1-CA 3.4Å; D503-H541 WeakPolarHBondContact OD1-CB 3.49Å; D503-H541 PolarHBondContact OD1-N 3.09Å; H541-E543 VanDerWaalsContact C-N 3.32Å; H541-E543 PolarHBondContact O-N 2.81Å; H541-V544 PolarHBondContact O-N 3.34Å; H541-V545 VanDerWaalsContact O-CG2 3.3Å; H541-V545 WeakPolarHBondContact O-CG2 3.37Å; H541-V545 PolarHBondContact O-N 3.02Å
542	G	91.9	Very high	87.5	Confident	40 Å²	40	65.7 Å²	65.7	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-37.4	179.9	0	0	0	0	0	113.6	K540 V545 L546	K540-G542 VanDerWaalsContact C-N 3.28Å; K540-G542 PolarHBondContact O-N 2.83Å; G542-V545 PolarHBondContact O-N 3.42Å; G542-L546 WeakPolarHBondContact O-CB 3.34Å; G542-L546 VanDerWaalsContact O-CG 3.22Å; G542-L546 WeakPolarHBondContact O-CG 3.21Å; G542-L546 PolarHBondContact O-N 2.91Å
543	E	92.1	Very high	86.3	Confident	95 Å²	95	67.2 Å²	67.2	44%	0.444	38%	0.381	S	S	.	.	H	α-helix	trans	-69.2	-42.6	178.8	-66	168.6	174.1	0	0	111.1	A539 K540 H541 L546 M547	A539-E543 VanDerWaalsContact CA-OE2 3.29Å; A539-E543 WeakPolarHBondContact CA-OE2 3.18Å; A539-E543 HydrophobicContact CB-CB 4.05Å; A539-E543 WeakPolarHBondContact CB-OE2 3.04Å; K540-E543 PolarHBondContact N-OE2 3.02Å; K540-E543 WeakPolarHBondContact O-CB 3.46Å; K540-E543 PolarHBondContact O-N 3.28Å; H541-E543 VanDerWaalsContact C-N 3.32Å; H541-E543 PolarHBondContact O-N 2.81Å; E543-L546 PolarHBondContact O-N 3.46Å; E543-M547 VanDerWaalsContact O-CG 3.31Å; E543-M547 WeakPolarHBondContact O-CG 3.48Å; E543-M547 PolarHBondContact O-N 3.23Å
544	V	92.2	Very high	85.6	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.006	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.6	179.8	0	0	0	0	110.8	V506 I528 V531 C536 A539 K540 H541 L546 M547 L548	V506-V544 HydrophobicContact CB-CB 4.47Å; V506-V544 HydrophobicContact CB-CG1 4.38Å; V506-V544 HydrophobicContact CB-CG2 4.29Å; V506-V544 HydrophobicContact CG2-CB 3.92Å; V506-V544 HydrophobicContact CG2-CG1 4.37Å; V506-V544 HydrophobicContact CG2-CG2 3.56Å; I528-V544 HydrophobicContact CD1-CG1 4.24Å; I528-V544 HydrophobicContact CG2-CG1 4.28Å; V531-V544 HydrophobicContact CG2-CG1 4.49Å; C536-V544 HydrophobicContact CB-CG2 4.15Å; A539-V544 HydrophobicContact CB-CG2 3.78Å; K540-V544 PolarHBondContact O-N 3.18Å; K540-V544 VanDerWaalsContact O-N 3.11Å; H541-V544 PolarHBondContact O-N 3.34Å; V544-L546 VanDerWaalsContact C-N 3.33Å; V544-L546 PolarHBondContact O-N 2.92Å; V544-M547 PolarHBondContact O-N 3.49Å; V544-L548 HydrophobicContact CG1-CD1 4.09Å; V544-L548 HydrophobicContact CG1-CG 4.48Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.35Å; V544-L548 PolarHBondContact O-N 3.33Å
545	V	91.1	Very high	85.2	Confident	52 Å²	52	73.2 Å²	73.2	32%	0.315	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-42	174.5	171.2	0	0	0	0	110.9	L500 H541 G542 L548 T549	L500-V545 HydrophobicContact CD1-CG2 4.14Å; H541-V545 VanDerWaalsContact O-CG2 3.3Å; H541-V545 WeakPolarHBondContact O-CG2 3.37Å; H541-V545 PolarHBondContact O-N 3.02Å; G542-V545 PolarHBondContact O-N 3.42Å; V545-L548 PolarHBondContact O-N 3.37Å; V545-T549 HydrophobicContact CG1-CG2 4.34Å; V545-T549 WeakPolarHBondContact O-CB 3.47Å; V545-T549 VanDerWaalsContact O-CG2 3.3Å; V545-T549 WeakPolarHBondContact O-CG2 3.24Å; V545-T549 PolarHBondContact O-N 2.63Å; V545-T549 PolarHBondContact O-OG1 3.05Å
546	L	90.7	Very high	85.1	Confident	113 Å²	113	68.8 Å²	68.8	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-43.5	174.7	-75.3	169.2	0	0	0	111.6	G542 E543 V544 L548 T549 S550	G542-L546 WeakPolarHBondContact O-CB 3.34Å; G542-L546 VanDerWaalsContact O-CG 3.22Å; G542-L546 WeakPolarHBondContact O-CG 3.21Å; G542-L546 PolarHBondContact O-N 2.91Å; E543-L546 PolarHBondContact O-N 3.46Å; V544-L546 VanDerWaalsContact C-N 3.33Å; V544-L546 PolarHBondContact O-N 2.92Å; L546-L548 PolarHBondContact O-N 2.84Å; L546-T549 WeakPolarHBondContact CA-OG1 3.09Å; L546-T549 PolarHBondContact O-N 3.02Å; L546-T549 PolarHBondContact O-OG1 3.3Å; L546-S550 WeakPolarHBondContact O-CB 3.49Å; L546-S550 PolarHBondContact O-N 3.34Å; L546-S550 PolarHBondContact O-OG 2.99Å
547	M	90.7	Very high	85.1	Confident	37 Å²	37	71.8 Å²	71.8	18%	0.182	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-45.3	175.5	-70.6	172.8	-179.2	0	0	111.7	V531 Q534 C536 E543 V544 T549 S550	V531-M547 HydrophobicContact CB-CB 4.11Å; V531-M547 HydrophobicContact CG1-CB 4.09Å; V531-M547 HydrophobicContact CG2-CB 4.44Å; Q534-M547 HydrophobicContact CG-CE 4.42Å; C536-M547 HydrophobicContact CB-SD 3.74Å; E543-M547 VanDerWaalsContact O-CG 3.31Å; E543-M547 WeakPolarHBondContact O-CG 3.48Å; E543-M547 PolarHBondContact O-N 3.23Å; V544-M547 PolarHBondContact O-N 3.49Å; M547-T549 VanDerWaalsContact C-N 3.31Å; M547-T549 PolarHBondContact O-N 3.1Å; M547-S550 PolarHBondContact O-OG 3.44Å
548	L	88.5	Confident	85.4	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-31.4	178.8	-67.9	169	0	0	0	113.4	K491 M496 L500 I528 V531 V544 V545 L546 S551 V556 I558	K491-L548 WeakPolarHBondContact CE-O 3.47Å; K491-L548 PolarHBondContact NZ-O 2.75Å; K491-L548 VanDerWaalsContact NZ-O 3.16Å; M496-L548 HydrophobicContact CE-CB 3.99Å; M496-L548 HydrophobicContact CE-CD1 4.45Å; M496-L548 HydrophobicContact SD-CB 4.45Å; L500-L548 HydrophobicContact CD1-CD1 3.68Å; I528-L548 HydrophobicContact CD1-CD1 4.34Å; V531-L548 HydrophobicContact CB-CD2 4.45Å; V531-L548 HydrophobicContact CG1-CD2 3.79Å; V531-L548 HydrophobicContact CG1-CG 4.35Å; V531-L548 HydrophobicContact CG2-CD2 3.73Å; V531-L548 HydrophobicContact CG2-CG 4.09Å; V544-L548 HydrophobicContact CG1-CD1 4.09Å; V544-L548 HydrophobicContact CG1-CG 4.48Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.35Å; V544-L548 PolarHBondContact O-N 3.33Å; V545-L548 PolarHBondContact O-N 3.37Å; L546-L548 PolarHBondContact O-N 2.84Å; L548-S551 PolarHBondContact O-OG 3.47Å; L548-V556 HydrophobicContact CD2-CG1 4.04Å; L548-I558 HydrophobicContact CD2-CD1 3.46Å; L548-I558 VanDerWaalsContact CD2-CD1 3.46Å; L548-I558 HydrophobicContact CD2-CG1 3.91Å
549	T	84.6	Confident	85.7	Confident	83 Å²	83	65.7 Å²	65.7	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-89.5	-33.2	-177.4	51.3	0	0	0	0	113.1	K491 V545 L546 M547 S551	K491-T549 PolarHBondContact NZ-O 3.43Å; V545-T549 HydrophobicContact CG1-CG2 4.34Å; V545-T549 WeakPolarHBondContact O-CB 3.47Å; V545-T549 VanDerWaalsContact O-CG2 3.3Å; V545-T549 WeakPolarHBondContact O-CG2 3.24Å; V545-T549 PolarHBondContact O-N 2.63Å; V545-T549 PolarHBondContact O-OG1 3.05Å; L546-T549 WeakPolarHBondContact CA-OG1 3.09Å; L546-T549 PolarHBondContact O-N 3.02Å; L546-T549 PolarHBondContact O-OG1 3.3Å; M547-T549 VanDerWaalsContact C-N 3.31Å; M547-T549 PolarHBondContact O-N 3.1Å; T549-S551 VanDerWaalsContact C-N 3.32Å; T549-S551 PolarHBondContact O-N 3.26Å
550	S	81.8	Confident	86	Confident	93 Å²	93	65.1 Å²	65.1	65%	0.65	35%	0.348	S	S	*	.	H	α-helix	trans	-76.2	-12.9	-178.1	60.3	0	0	0	0	114.8	L546 M547 S552	L546-S550 WeakPolarHBondContact O-CB 3.49Å; L546-S550 PolarHBondContact O-N 3.34Å; L546-S550 PolarHBondContact O-OG 2.99Å; M547-S550 PolarHBondContact O-OG 3.44Å; S550-S552 PolarHBondContact O-N 2.85Å
551	S	69.7	Low	86	Confident	17 Å²	17	59.7 Å²	59.7	12%	0.119	33%	0.326	C	S	.	.			trans	-62.3	120.8	174.4	51.3	0	0	0	0	111.2	K491 D532 L548 T549 D553 V556	K491-S551 VanDerWaalsContact CE-OG 3.31Å; K491-S551 WeakPolarHBondContact CE-OG 3.34Å; K491-S551 PolarHBondContact NZ-O 3.42Å; K491-S551 PolarHBondContact NZ-OG 2.65Å; D532-S551 WeakPolarHBondContact OD2-CB 3.47Å; L548-S551 PolarHBondContact O-OG 3.47Å; T549-S551 VanDerWaalsContact C-N 3.32Å; T549-S551 PolarHBondContact O-N 3.26Å; S551-D553 PolarHBondContact O-N 2.88Å; S551-V556 WeakPolarHBondContact OG-CG2 3.45Å
552	S	62.7	Low	85.9	Confident	119 Å²	119	57.6 Å²	57.6	83%	0.832	32%	0.318	S	S	*	.			trans	-73.6	-13.7	-176.8	50.9	0	0	0	0	113.7	S550	S550-S552 PolarHBondContact O-N 2.85Å
553	D	64.9	Low	85.5	Confident	112 Å²	112	58 Å²	58	60%	0.599	31%	0.31	S	S	*	.	S	Bend	trans	-85.4	152.1	-176.4	-71	-17.3	0	0	0	112.1	S551 E555	S551-D553 PolarHBondContact O-N 2.88Å; D553-E555 WeakPolarHBondContact CB-O 3.36Å; D553-E555 PolarHBondContact O-N 3.34Å
554	R	74.4	Confident	84.9	Confident	223 Å²	223	56.6 Å²	56.6	84%	0.842	30%	0.304	S	S	*	.	S	Bend	trans	-68.5	-8.6	172.5	-71.6	-171.8	176.7	-171.5	-1.6	112.6	Q490 K491	Q490-R554 CarbonylContact C-O 3.54Å; Q490-R554 WeakPolarHBondContact CA-O 3.36Å; K491-R554 PolarHBondContact N-O 2.87Å
555	E	84	Confident	83.4	Confident	86 Å²	86	59.9 Å²	59.9	40%	0.402	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136	-179.3	-171.6	172.5	-141.6	0	0	108.8	R488 L489 D553	R488-E555 HydrophobicContact CB-CG 4.05Å; R488-E555 VanDerWaalsContact CB-OE1 3.27Å; R488-E555 WeakPolarHBondContact CB-OE1 3.17Å; R488-E555 WeakPolarHBondContact CD-OE1 3.44Å; L489-E555 CarbonylContact O-C 3.54Å; L489-E555 WeakPolarHBondContact O-CA 3.49Å; D553-E555 WeakPolarHBondContact CB-O 3.36Å; D553-E555 PolarHBondContact O-N 3.34Å
556	V	89.6	Confident	81.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.7	176.3	-173.8	0	0	0	0	108.5	R488 L489 K491 V531 L548 S551 I558	R488-V556 WeakPolarHBondContact CA-O 3.27Å; L489-V556 PolarHBondContact N-O 2.98Å; L489-V556 PolarHBondContact O-N 2.69Å; K491-V556 HydrophobicContact CD-CG2 4.29Å; K491-V556 HydrophobicContact CG-CG2 4.24Å; V531-V556 HydrophobicContact CG1-CG1 3.8Å; L548-V556 HydrophobicContact CD2-CG1 4.04Å; S551-V556 WeakPolarHBondContact OG-CG2 3.45Å; V556-I558 HydrophobicContact CG1-CG1 4.15Å
557	E	92.1	Very high	79.5	Confident	65 Å²	65	63.9 Å²	63.9	30%	0.304	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.2	174.9	-169.8	172	99.2	0	0	110	V486 R488 V531 D532	V486-E557 HydrophobicContact CG1-CG 3.31Å; R488-E557 IonicContact NE-OE2 2.91Å; R488-E557 PolarHBondContact NE-OE2 3.35Å; R488-E557 IonicContact NH2-OE2 3.36Å; V531-E557 CarbonylContact C-O 3.58Å; V531-E557 WeakPolarHBondContact CA-O 3.35Å; D532-E557 PolarHBondContact N-O 3.41Å; D532-E557 PolarHBondContact OD1-N 3.23Å
558	I	93.9	Very high	77.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.4	178.1	-49.2	-172.3	0	0	0	109	I487 L489 I528 L548 V556 V560	I487-I558 PolarHBondContact N-O 3.23Å; I487-I558 PolarHBondContact O-N 2.93Å; L489-I558 HydrophobicContact CD1-CD1 3.37Å; L489-I558 HydrophobicContact CD1-CG1 4.16Å; I528-I558 HydrophobicContact CB-CG2 4.46Å; I528-I558 HydrophobicContact CD1-CG2 4.39Å; I528-I558 HydrophobicContact CG1-CG2 4.12Å; I528-I558 HydrophobicContact CG2-CG2 3.74Å; L548-I558 HydrophobicContact CD2-CD1 3.46Å; L548-I558 VanDerWaalsContact CD2-CD1 3.46Å; L548-I558 HydrophobicContact CD2-CG1 3.91Å; V556-I558 HydrophobicContact CG1-CG1 4.15Å; I558-V560 HydrophobicContact CG2-CG1 3.62Å
559	S	94.7	Very high	75	Confident	24 Å²	24	70.2 Å²	70.2	17%	0.168	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.8	166.7	-63.9	0	0	0	0	109.5	R485 V529 A530	R485-S559 CarbonylContact O-C 3.43Å; R485-S559 WeakPolarHBondContact O-CA 3.01Å; V529-S559 WeakPolarHBondContact CG2-O 3.48Å; V529-S559 PolarHBondContact N-O 3.23Å; A530-S559 PolarHBondContact N-O 3.32Å; A530-S559 PolarHBondContact O-N 3.22Å
560	V	94	Very high	73.1	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.3	-179.9	-56.5	0	0	0	0	112.9	P484 R485 I487 L522 D526 Y527 I528 I558	P484-V560 WeakPolarHBondContact CA-O 3.44Å; R485-V560 HydrophobicContact CB-CG2 4.01Å; R485-V560 PolarHBondContact N-O 3.25Å; R485-V560 PolarHBondContact O-N 2.93Å; I487-V560 HydrophobicContact CD1-CG2 3.54Å; I487-V560 HydrophobicContact CG1-CG2 4.31Å; L522-V560 HydrophobicContact CD1-CG1 3.77Å; L522-V560 HydrophobicContact CD1-CG2 4.42Å; D526-V560 HydrophobicContact CB-CB 4.06Å; D526-V560 HydrophobicContact CB-CG1 4.38Å; D526-V560 HydrophobicContact CB-CG2 4.23Å; Y527-V560 CarbonylContact O-C 3.58Å; Y527-V560 WeakPolarHBondContact O-CA 3.2Å; Y527-V560 WeakPolarHBondContact O-CB 3.37Å; I528-V560 HydrophobicContact CG1-CG1 4.28Å; I558-V560 HydrophobicContact CG2-CG1 3.62Å
561	V	91.3	Very high	71	Confident	23 Å²	23	73.7 Å²	73.7	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.6	168.8	-67.6	0	0	0	0	109.8	W481 P484 Y527 V529	W481-V561 HydrophobicContact CE3-CB 3.99Å; W481-V561 HydrophobicContact CE3-CG2 3.64Å; W481-V561 HydrophobicContact CZ3-CB 4.4Å; W481-V561 HydrophobicContact CZ3-CG2 3.66Å; P484-V561 HydrophobicContact CB-CG1 4.17Å; P484-V561 HydrophobicContact CG-CG1 4.16Å; Y527-V561 PolarHBondContact N-O 3.49Å; Y527-V561 PolarHBondContact O-N 2.89Å; V529-V561 HydrophobicContact CG1-CG1 4.33Å; V529-V561 HydrophobicContact CG1-CG2 3.6Å
562	T	89.3	Confident	69.7	Low	26 Å²	26	80.8 Å²	80.8	16%	0.16	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.5	179.2	-39	0	0	0	0	109.8	G482 R485 D526	G482-T562 PolarHBondContact N-O 3.4Å; R485-T562 PolarHBondContact NH2-OG1 2.77Å; D526-T562 WeakPolarHBondContact OD1-CB 3.39Å; D526-T562 PolarHBondContact OD1-OG1 3.46Å
563	L	83.6	Confident	68.6	Low	48 Å²	48	81.7 Å²	81.7	25%	0.251	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.4	170.8	-177.6	58.2	0	0	0	109.3	A479 W481 Y527 S565	A479-L563 HydrophobicContact CB-CD1 3.59Å; W481-L563 HydrophobicContact CD2-CD1 4.08Å; W481-L563 HydrophobicContact CE3-CB 4.05Å; W481-L563 HydrophobicContact CE3-CD1 4.31Å; W481-L563 HydrophobicContact CH2-CB 3.78Å; W481-L563 HydrophobicContact CH2-CD1 4.15Å; W481-L563 HydrophobicContact CH2-CD2 4.29Å; W481-L563 HydrophobicContact CH2-CG 4.29Å; W481-L563 HydrophobicContact CZ2-CB 4.38Å; W481-L563 HydrophobicContact CZ2-CD1 3.88Å; W481-L563 HydrophobicContact CZ2-CD2 4.41Å; W481-L563 HydrophobicContact CZ2-CG 4.45Å; W481-L563 HydrophobicContact CZ3-CB 3.59Å; W481-L563 HydrophobicContact CZ3-CD1 4.36Å; W481-L563 HydrophobicContact CZ3-CG 4.47Å; Y527-L563 HydrophobicContact CD2-CB 4.3Å; Y527-L563 HydrophobicContact CE2-CB 3.82Å; Y527-L563 HydrophobicContact CE2-CD2 4.33Å; L563-S565 PolarHBondContact O-N 2.96Å
564	H	79.9	Confident	67.3	Low	65 Å²	65	79.4 Å²	79.4	30%	0.301	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116	173.3	-60.9	85.3	0	0	0	109.4	H480 G482	H480-H564 HydrophobicContact CB-CB 4.23Å; H480-H564 WeakPolarHBondContact O-CB 3.44Å; H480-H564 PolarHBondContact O-N 2.97Å; H480-H564 PolarHBondContact O-ND1 2.68Å; H480-H564 VanDerWaalsContact O-ND1 3.15Å; G482-H564 WeakPolarHBondContact CA-CE1 3.45Å; G482-H564 PolarHBondContact N-ND1 2.84Å
565	S	60.8	Low	65.7	Low	71 Å²	71	72 Å²	72	50%	0.497	38%	0.379	S	S	.	.			trans	-73.6	144.7	167	54.7	0	0	0	0	110.1	L563 D567 T568	L563-S565 PolarHBondContact O-N 2.96Å; S565-D567 PolarHBondContact O-N 3.28Å; S565-D567 VanDerWaalsContact O-N 3.08Å; S565-T568 PolarHBondContact O-N 3.48Å; S565-T568 PolarHBondContact O-OG1 3.06Å
566	H	52.6	Low	63.6	Low	119 Å²	119	74.6 Å²	74.6	55%	0.551	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.8	-174.1	-135	-82.6	0	0	0	113.6
567	D	46.2	Very low	61.1	Low	129 Å²	129	82.4 Å²	82.4	69%	0.69	43%	0.427	S	S	*	.	H	α-helix	trans	-69	-31.4	179.6	-78.6	-29.8	0	0	0	113.4	S565 Q569 V570	S565-D567 PolarHBondContact O-N 3.28Å; S565-D567 VanDerWaalsContact O-N 3.08Å; D567-Q569 VanDerWaalsContact C-N 3.27Å; D567-Q569 PolarHBondContact O-N 3.46Å; D567-V570 PolarHBondContact O-N 3.2Å
568	T	43.2	Very low	58.3	Low	55 Å²	55	83.1 Å²	83.1	34%	0.337	44%	0.439	S	S	.	.	H	α-helix	trans	-73.1	-15.2	-175.9	57.5	0	0	0	0	114.3	S565	S565-T568 PolarHBondContact O-N 3.48Å; S565-T568 PolarHBondContact O-OG1 3.06Å
569	Q	42.5	Very low	55.5	Low	117 Å²	117	91.6 Å²	91.6	55%	0.547	48%	0.478	S	S	.	.	H	α-helix	trans	-85.4	-24.5	177	-74.1	-160.7	-5.4	0	0	113.8	D567 E571 R572 K573	D567-Q569 VanDerWaalsContact C-N 3.27Å; D567-Q569 PolarHBondContact O-N 3.46Å; Q569-E571 VanDerWaalsContact C-N 3.33Å; Q569-R572 PolarHBondContact O-N 3.39Å; Q569-K573 PolarHBondContact O-N 3.28Å; Q569-K573 VanDerWaalsContact O-N 3.13Å
570	V	44.1	Very low	52.4	Low	101 Å²	101	96.1 Å²	96.1	61%	0.612	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-38.6	176.8	-179.7	0	0	0	0	109.9	D567 K573 A574	D567-V570 PolarHBondContact O-N 3.2Å; V570-K573 PolarHBondContact O-N 3.35Å; V570-A574 WeakPolarHBondContact O-CB 3.39Å; V570-A574 PolarHBondContact O-N 3.05Å
571	E	38.1	Very low	49.3	Very low	148 Å²	148	100.9 Å²	100.9	69%	0.692	54%	0.543	S	S	*	.	H	α-helix	trans	-68.3	-39.9	175.9	-68.4	-176.7	158.7	0	0	112.9	Q569 K573 A574 A575	Q569-E571 VanDerWaalsContact C-N 3.33Å; E571-K573 PolarHBondContact O-N 2.73Å; E571-A574 PolarHBondContact O-N 2.77Å; E571-A575 WeakPolarHBondContact O-CB 3.08Å; E571-A575 PolarHBondContact O-N 2.77Å
572	R	40.8	Very low	46.3	Very low	165 Å²	165	107.5 Å²	107.5	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-67.6	-34.3	176.7	-80.5	-175.6	179.1	153.8	3	113.5	Q569 M576	Q569-R572 PolarHBondContact O-N 3.39Å; R572-M576 PolarHBondContact O-N 2.84Å
573	K	39.7	Very low	43.4	Very low	139 Å²	139	115.7 Å²	115.7	60%	0.604	61%	0.611	S	S	*	*	H	α-helix	trans	-71.5	-42.1	171.6	-96.8	-179.4	175.2	175.3	0	111.3	Q569 V570 E571 A575 M576 F577	Q569-K573 PolarHBondContact O-N 3.28Å; Q569-K573 VanDerWaalsContact O-N 3.13Å; V570-K573 PolarHBondContact O-N 3.35Å; E571-K573 PolarHBondContact O-N 2.73Å; K573-A575 VanDerWaalsContact C-N 3.28Å; K573-A575 PolarHBondContact O-N 3.12Å; K573-M576 PolarHBondContact O-N 2.99Å; K573-F577 HydrophobicContact CB-CE2 4.45Å; K573-F577 HydrophobicContact CG-CE2 4.39Å; K573-F577 WeakPolarHBondContact O-CD2 3.28Å; K573-F577 PolarHBondContact O-N 2.74Å
574	A	39.1	Very low	40.7	Very low	64 Å²	64	121.9 Å²	121.9	53%	0.529	64%	0.639	S	S	.	*	H	α-helix	trans	-60.5	-36.7	176.4	0	0	0	0	0	112.6	V570 E571	V570-A574 WeakPolarHBondContact O-CB 3.39Å; V570-A574 PolarHBondContact O-N 3.05Å; E571-A574 PolarHBondContact O-N 2.77Å
575	A	39.7	Very low	38	Very low	66 Å²	66	126.8 Å²	126.8	55%	0.545	67%	0.667	S	S	.	*	H	α-helix	trans	-72.9	-24.4	176.7	0	0	0	0	0	114.4	E571 K573 S578	E571-A575 WeakPolarHBondContact O-CB 3.08Å; E571-A575 PolarHBondContact O-N 2.77Å; K573-A575 VanDerWaalsContact C-N 3.28Å; K573-A575 PolarHBondContact O-N 3.12Å; A575-S578 PolarHBondContact O-OG 2.96Å
576	M	39.5	Very low	36.3	Very low	141 Å²	141	128 Å²	128	70%	0.695	68%	0.676	S	S	*	*	H	α-helix	trans	-83.3	-22.1	175.8	-75.7	-165.7	-60.5	0	0	113.4	R572 K573	R572-M576 PolarHBondContact O-N 2.84Å; K573-M576 PolarHBondContact O-N 2.99Å
577	F	37.3	Very low	35.1	Very low	164 Å²	164	133.4 Å²	133.4	72%	0.719	69%	0.691	S	S	*	*	S	Bend	trans	-91.6	0.1	178.5	-70.5	-66	0	0	0	114.1	K573	K573-F577 HydrophobicContact CB-CE2 4.45Å; K573-F577 HydrophobicContact CG-CE2 4.39Å; K573-F577 WeakPolarHBondContact O-CD2 3.28Å; K573-F577 PolarHBondContact O-N 2.74Å
578	S	33.3	Very low	34.3	Very low	80 Å²	80	135.6 Å²	135.6	56%	0.559	70%	0.697	S	S	*	*	S	Bend	trans	-89	-3.5	178.8	62.8	0	0	0	0	114.7	A575	A575-S578 PolarHBondContact O-OG 2.96Å
579	H	34.9	Very low	33.3	Very low	179 Å²	179	144.4 Å²	144.4	83%	0.829	73%	0.725	S	S	*	*	S	Bend	trans	-123.1	58.3	177.8	-90.8	-40.1	0	0	0	112.9
580	S	30.7	Very low	32.4	Very low	118 Å²	118	146.3 Å²	146.3	83%	0.825	74%	0.737	S	S	*	*			trans	-169.5	79.1	151.1	-162.7	0	0	0	0	110.7
581	S	28.1	Very low	31.6	Very low	101 Å²	101	149.7 Å²	149.7	71%	0.706	75%	0.751	S	S	*	*			trans	-150.9	84.7	163.4	61.4	0	0	0	0	108.8
582	D	28.9	Very low	30.8	Very low	162 Å²	162	146.3 Å²	146.3	87%	0.866	76%	0.756	S	S	*	*			trans	-167.3	89.8	150.6	-92.9	-26.4	0	0	0	108.9
583	K	28.7	Very low	29.9	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.857	77%	0.768	S	S	*	*				169.4	147.6	126.4	-91.8	170.9	-176.2	-179.5	0	111.6
584	E	25.7	Very low	29.2	Very low	179 Å²	179	140.6 Å²	140.6	84%	0.836	78%	0.779	S	S	*	*			trans	91.5	63.5	152.5	-127.4	125.9	-144.2	0	0	117.9
585	N	25	Very low	28.5	Very low	167 Å²	167	148.1 Å²	148.1	89%	0.893	80%	0.799	S	S	*	*			trans	-91.2	88.2	149.7	-148.1	9.1	0	0	0	108.2
586	S	24.9	Very low	27.7	Very low	96 Å²	96	148.4 Å²	148.4	67%	0.671	81%	0.808	S	S	*	*			trans	178.4	100.2	159.5	-83.4	0	0	0	0	111.4
587	R	27.7	Very low	26.9	Very low	233 Å²	233	151.3 Å²	151.3	88%	0.879	82%	0.82	S	S	*	*			trans	-179.3	125.6	131.1	-98.5	161.4	-178	-177.9	1.2	113
588	Q	27.5	Very low	26.4	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	82%	0.822	S	S	*	*			trans	76.3	95.4	143.6	-73.2	167.5	-40.5	0	0	120
589	R	22.9	Very low	26	Very low	241 Å²	241	150.5 Å²	150.5	91%	0.909	84%	0.835	S	S	*	*				-63	129.7	127	-72	179.9	178.6	178.8	-0	109.1
590	L	24.6	Very low	25.5	Very low	156 Å²	156	145.6 Å²	145.6	82%	0.817	83%	0.833	S	S	*	*			trans	165.2	141.4	132.1	-92.1	159.8	0	0	0	111.9
591	L	26.8	Very low	25.3	Very low	172 Å²	172	145 Å²	145	90%	0.901	83%	0.828	S	S	*	*			trans	77.2	131.4	167.1	-54.9	154.2	0	0	0	115.4
592	G	21.6	Very low	25.3	Very low	78 Å²	78	147.1 Å²	147.1	80%	0.804	83%	0.831	S	S	*	*			cis	129.2	102.3	11.6	0	0	0	0	0	110.3
593	G	22	Very low	25.1	Very low	83 Å²	83	146.5 Å²	146.5	86%	0.856	83%	0.827	S	S	*	*			trans	98.8	135.3	148.4	0	0	0	0	0	120.7
594	A	24.3	Very low	24.9	Very low	101 Å²	101	143.7 Å²	143.7	84%	0.835	82%	0.822	S	S	*	*			trans	101.6	92.5	146.4	0	0	0	0	0	121.4
595	K	23.5	Very low	24.8	Very low	222 Å²	222	145.6 Å²	145.6	97%	0.965	82%	0.821	S	S	*	*				40	132.3	122.7	-70.4	-176.5	175.6	179	0	122.8
596	G	24.2	Very low	24.8	Very low	71 Å²	71	144 Å²	144	73%	0.732	81%	0.813	S	S	*	*			trans	161.2	77.1	149.7	0	0	0	0	0	113.4
597	Q	23.3	Very low	24.8	Very low	202 Å²	202	150 Å²	150	94%	0.944	82%	0.821	S	S	*	*				59	106.4	109.8	-78	-172.7	-9.4	0	0	118
598	S	25.1	Very low	24.7	Very low	110 Å²	110	147.7 Å²	147.7	77%	0.769	82%	0.817	S	S	*	*				-157.7	111.1	121.9	58.5	0	0	0	0	111.8
599	S	26.3	Very low	24.7	Very low	117 Å²	117	147.6 Å²	147.6	82%	0.818	81%	0.814	S	S	*	*			trans	21.6	121.8	133.2	55.2	0	0	0	0	118.7
600	G	24.1	Very low	24.7	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	80%	0.804	S	S	*	*			cis	104	104.1	16.2	0	0	0	0	0	111.2
601	S	26.2	Very low	24.7	Very low	104 Å²	104	148.3 Å²	148.3	73%	0.727	81%	0.81	S	S	*	*			trans	-179	104.5	140.8	-133.2	0	0	0	0	109.3
602	L	27.2	Very low	24.5	Very low	146 Å²	146	147.8 Å²	147.8	76%	0.764	80%	0.803	S	S	*	*				83.9	128.2	80.7	-75.9	171.8	0	0	0	110.7
603	L	26.5	Very low	24.6	Very low	149 Å²	149	147.3 Å²	147.3	78%	0.78	80%	0.798	S	S	*	*			cis	-151.2	143	27.5	-86.6	120.2	0	0	0	113.9
604	N	22.8	Very low	24.6	Very low	139 Å²	139	149.2 Å²	149.2	74%	0.743	80%	0.798	S	S	*	*			trans	-71.2	155.1	155.5	-94.9	-28.8	0	0	0	111.7
605	W	25.1	Very low	24.5	Very low	218 Å²	218	147.9 Å²	147.9	83%	0.826	79%	0.794	S	S	*	*				161.1	151.9	109.3	-105.6	-36.3	0	0	0	109.6
606	N	23.6	Very low	24.6	Very low	134 Å²	134	144 Å²	144	72%	0.717	79%	0.789	S	S	*	*			cis	-156.5	162	13	-140	-23	0	0	0	112
607	R	24.8	Very low	24.6	Very low	223 Å²	223	145.3 Å²	145.3	84%	0.842	79%	0.793	S	S	*	*			trans	-123.7	141.8	-176.2	178.9	-171.7	-176.7	-171.2	3.4	108.4
608	K	26.1	Very low	24.7	Very low	184 Å²	184	145 Å²	145	80%	0.8	79%	0.788	S	S	*	*			trans	167.3	149.7	143	-100.7	177.5	175.2	164.4	0	109.1
609	K	27	Very low	24.7	Very low	173 Å²	173	150.1 Å²	150.1	75%	0.752	80%	0.797	S	S	*	*			cis	-162.7	125.5	12.8	-139.2	170.1	-179.3	-171.7	0	106.8
610	K	24.6	Very low	24.6	Very low	160 Å²	160	152.8 Å²	152.8	70%	0.696	80%	0.801	S	S	*	*				53.1	117.4	107.5	-138.5	-166.7	-168.4	-153.1	0	117.4	E612	K610-E612 IonicContact NZ-OE1 2.77Å; K610-E612 PolarHBondContact NZ-OE1 3.38Å
611	R	22.9	Very low	24.6	Very low	252 Å²	252	152.5 Å²	152.5	95%	0.951	80%	0.798	S	S	*	*			trans	-144.1	145.6	135.6	-106.2	-175.8	178.1	-176.2	-0.5	109.8
612	E	23.1	Very low	24.5	Very low	160 Å²	160	153 Å²	153	75%	0.748	80%	0.801	S	S	*	*			trans	-89.4	162	-167.1	-71.7	161.3	170.6	0	0	112.8	K610	K610-E612 IonicContact NZ-OE1 2.77Å; K610-E612 PolarHBondContact NZ-OE1 3.38Å
613	G	23.4	Very low	24.4	Very low	68 Å²	68	152.4 Å²	152.4	70%	0.701	80%	0.804	S	S	*	*			trans	167	82.7	166.4	0	0	0	0	0	115.4
614	S	22.9	Very low	24.2	Very low	123 Å²	123	154.6 Å²	154.6	86%	0.86	81%	0.808	S	S	*	*			trans	47.9	120.4	147.3	63.6	0	0	0	0	122.7
615	G	22.6	Very low	24.3	Very low	73 Å²	73	153 Å²	153	75%	0.753	81%	0.808	S	S	*	*				108.1	128.8	114.2	0	0	0	0	0	119.1
616	V	24.7	Very low	24.2	Very low	141 Å²	141	149.4 Å²	149.4	86%	0.855	80%	0.804	S	S	*	*			trans	90.6	100	161.8	-164.3	0	0	0	0	117.1
617	A	24.7	Very low	24.1	Very low	98 Å²	98	148.5 Å²	148.5	81%	0.81	81%	0.808	S	S	*	*			trans	-72.5	129.9	167.6	0	0	0	0	0	111.5
618	K	25.8	Very low	24.3	Very low	196 Å²	196	147.3 Å²	147.3	85%	0.852	81%	0.809	S	S	*	*			trans	-137.6	127.8	150.8	-81.2	-170.7	179.4	174.5	0	110.4
619	K	24.4	Very low	24.2	Very low	217 Å²	217	141.7 Å²	141.7	94%	0.943	80%	0.804	S	S	*	*			trans	-71	113.6	-178.4	-161	177.9	-173.4	-177.8	0	108.4
620	L	24.8	Very low	24	Very low	174 Å²	174	141.5 Å²	141.5	91%	0.911	81%	0.811	S	S	*	*			trans	-89.2	109.3	169	-97.6	101.6	0	0	0	109.5
621	G	24.3	Very low	24	Very low	71 Å²	71	142 Å²	142	73%	0.732	82%	0.819	S	S	*	*			trans	-83	130.7	164.2	0	0	0	0	0	110.1
622	S	22.9	Very low	24.2	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	81%	0.813	S	S	*	*			trans	-64.6	126.1	167.8	143.8	0	0	0	0	110.4
623	T	25.8	Very low	24.3	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	81%	0.81	S	S	*	*			trans	-170	117.3	141.2	10.9	0	0	0	0	110.3
624	F	22.3	Very low	24.4	Very low	195 Å²	195	142.2 Å²	142.2	86%	0.855	82%	0.818	S	S	*	*			trans	-81.5	126.2	167.7	-108	-103.1	0	0	0	108.5
625	S	24	Very low	24.5	Very low	106 Å²	106	145 Å²	145	74%	0.741	82%	0.817	S	S	*	*			trans	-150.1	106.9	158.5	59.6	0	0	0	0	108.6
626	L	24.6	Very low	24.6	Very low	141 Å²	141	147 Å²	147	74%	0.738	82%	0.815	S	S	*	*			trans	-82.5	118.6	168.5	-71.5	166.6	0	0	0	108.1
627	S	21.4	Very low	24.5	Very low	115 Å²	115	148 Å²	148	80%	0.804	81%	0.812	S	S	*	*			trans	-101.8	115.9	169.8	-62.6	0	0	0	0	108.6
628	F	28.2	Very low	24.9	Very low	198 Å²	198	157.5 Å²	157.5	87%	0.868	83%	0.829	S	S	*	*			trans	-114.8	127.9	163.1	-80.7	-79.5	0	0	0	108.4
629	G	23.4	Very low	24.8	Very low	67 Å²	67	155.6 Å²	155.6	69%	0.691	83%	0.828	S	S	*	*			trans	122.6	101.5	164.5	0	0	0	0	0	114.2
630	N	24	Very low	24.8	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	82%	0.822	S	S	*	*				-160.3	94.3	126.4	-94.7	-14.2	0	0	0	108.6
631	I	24.9	Very low	24.9	Very low	169 Å²	169	151.2 Å²	151.2	87%	0.867	82%	0.817	S	S	*	*			trans	-81.7	118.8	154.7	-71	166.8	0	0	0	105.2
632	R	26	Very low	24.9	Very low	215 Å²	215	155.9 Å²	155.9	81%	0.811	82%	0.822	S	S	*	*			trans	-146.3	123.9	155.3	-99.2	-165.6	169.6	177.2	-4.5	110.5
633	D	26.3	Very low	25	Very low	128 Å²	128	158.6 Å²	158.6	68%	0.684	82%	0.824	S	S	*	*			trans	66.7	100.3	134.9	-50.8	-23.3	0	0	0	118.6
634	T	24.7	Very low	25	Very low	142 Å²	142	160.1 Å²	160.1	87%	0.871	82%	0.824	S	S	*	*			trans	-61.1	119.4	147.7	42.1	0	0	0	0	110.4
635	E	24.3	Very low	25.1	Very low	183 Å²	183	157.6 Å²	157.6	86%	0.855	82%	0.822	S	S	*	*			trans	-153.1	120.9	148.5	-116	175.6	-168.4	0	0	111
636	T	24.7	Very low	25.2	Very low	115 Å²	115	161.6 Å²	161.6	71%	0.706	83%	0.828	S	S	*	*			trans	0.4	129.8	155.8	56.6	0	0	0	0	120.6
637	M	23.2	Very low	25.3	Very low	161 Å²	161	163.3 Å²	163.3	79%	0.793	84%	0.835	S	S	*	*				158	134.3	103.6	-85	-151.5	-163.3	0	0	111.4
638	Y	32.4	Very low	25.6	Very low	298 Å²	298	167.7 Å²	167.7	100%	1.169	84%	0.838	S	S	*	*			trans	75.9	0	174.3	-68.9	-77.8	0	0	0	118.8

Retrieved 638 of 638 residues in 142.4 ms (Link to these results)

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