A0A077ZAH6_TRITR Loading...

Calcium binding mitochondrial carrier protein

AlphaFold DB , UniProt , Accession A0A077ZAH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 691 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	27.7	Very low	26.2	Very low	233 Å²	233	133.2 Å²	133.2	100%	1.148	78%	0.776	S	S	*	*				0	118	0	-84.3	174.9	166.9	0	0	107.6
2	P	28	Very low	26.2	Very low	129 Å²	129	128.2 Å²	128.2	84%	0.838	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-66	134.3	166.9	29.4	-30.9	0	0	0	108.4
3	L	28.9	Very low	26.1	Very low	160 Å²	160	131.9 Å²	131.9	84%	0.838	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.7	178.7	-77.6	154	0	0	0	110	A5	L3-A5 PolarHBondContact O-N 3.19Å
4	P	27.9	Very low	26.5	Very low	103 Å²	103	128.3 Å²	128.3	67%	0.669	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.7	132	-178.7	21.6	-29.2	0	0	0	111.1	G6	P4-G6 PolarHBondContact O-N 2.96Å; P4-G6 VanDerWaalsContact O-N 3.1Å
5	A	25.9	Very low	26.6	Very low	114 Å²	114	124.7 Å²	124.7	94%	0.942	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	111.1	171.7	0	0	0	0	0	109.1	L3	L3-A5 PolarHBondContact O-N 3.19Å
6	G	26.2	Very low	27.8	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	153.8	-16.7	-179.1	0	0	0	0	0	115.6	P4 K8	P4-G6 PolarHBondContact O-N 2.96Å; P4-G6 VanDerWaalsContact O-N 3.1Å; G6-K8 PolarHBondContact O-N 3.24Å
7	V	24.1	Very low	28.2	Very low	126 Å²	126	123.1 Å²	123.1	76%	0.764	70%	0.702	S	S	*	*			trans	-77.9	71.8	173	-167.7	0	0	0	0	109.4	S9	V7-S9 PolarHBondContact O-N 3.08Å
8	K	23.2	Very low	28.9	Very low	181 Å²	181	117.6 Å²	117.6	79%	0.787	67%	0.671	S	S	*	*			trans	-63.5	126.7	158	-74.4	-178.7	177.4	177.4	0	106.3	G6 Y10	G6-K8 PolarHBondContact O-N 3.24Å; K8-Y10 PolarHBondContact O-N 3.31Å
9	S	24.5	Very low	29.2	Very low	102 Å²	102	113.1 Å²	113.1	71%	0.713	65%	0.648	S	S	*	*			trans	-49.1	106.3	169.9	44.5	0	0	0	0	109.3	V7 I11	V7-S9 PolarHBondContact O-N 3.08Å; S9-I11 PolarHBondContact O-N 3.49Å; S9-I11 VanDerWaalsContact O-N 3.13Å
10	Y	26.1	Very low	29.5	Very low	128 Å²	128	109.4 Å²	109.4	50%	0.502	63%	0.625	S	S	.	*			trans	-83.1	91.5	178.4	-138	-92	0	0	0	107.2	K8 F684	K8-Y10 PolarHBondContact O-N 3.31Å; Y10-F684 HydrophobicContact CE2-CE2 4.12Å; Y10-F684 HydrophobicContact CE2-CZ 4.03Å; Y10-F684 AromaticContact CZ-CZ 3.82Å; Y10-F684 WeakPolarHBondContact OH-CZ 3.28Å
11	I	25.4	Very low	29.8	Very low	119 Å²	119	104.8 Å²	104.8	61%	0.61	60%	0.599	S	S	*	*			trans	-85.7	114.3	156.6	-60.4	174.5	0	0	0	104.4	S9 F13 Y15	S9-I11 PolarHBondContact O-N 3.49Å; S9-I11 VanDerWaalsContact O-N 3.13Å; I11-F13 PolarHBondContact O-N 3.06Å; I11-F13 VanDerWaalsContact O-N 3.07Å; I11-Y15 WeakPolarHBondContact CG2-O 3.39Å
12	P	26.7	Very low	30.2	Very low	73 Å²	73	94.6 Å²	94.6	47%	0.474	55%	0.55	S	S	.	.			trans	-55.5	120.5	174.1	-18.6	29.8	0	0	0	108.5	G14	P12-G14 PolarHBondContact O-N 3.4Å
13	F	25.1	Very low	30.3	Very low	177 Å²	177	96.4 Å²	96.4	78%	0.776	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	10.9	100.9	168.7	-79.5	-91.8	0	0	0	116.4	I11 Y15	I11-F13 PolarHBondContact O-N 3.06Å; I11-F13 VanDerWaalsContact O-N 3.07Å; F13-Y15 WeakPolarHBondContact O-CD2 3.32Å; F13-Y15 WeakPolarHBondContact O-CE2 3.21Å
14	G	30.9	Very low	30.5	Very low	81 Å²	81	90.9 Å²	90.9	84%	0.835	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	1.1	153	0	0	0	0	0	119.5	P12	P12-G14 PolarHBondContact O-N 3.4Å
15	Y	28.9	Very low	31.1	Very low	75 Å²	75	87.8 Å²	87.8	29%	0.294	49%	0.492	S	S	.	.			trans	-113.4	142.2	-171.7	-59.2	-74.7	0	0	0	114.6	I11 F13 R667	I11-Y15 WeakPolarHBondContact CG2-O 3.39Å; F13-Y15 WeakPolarHBondContact O-CD2 3.32Å; F13-Y15 WeakPolarHBondContact O-CE2 3.21Å; Y15-R667 WeakPolarHBondContact OH-CD 3.42Å
16	K	44.6	Very low	31.5	Very low	199 Å²	199	83.7 Å²	83.7	87%	0.865	45%	0.452	S	S	*	.			trans	-123.2	-1.6	-173	-87	-173.3	178.3	178.7	0	117.5
17	S	35.4	Very low	32	Very low	22 Å²	22	89.7 Å²	89.7	15%	0.154	46%	0.459	C	S	.	.			trans	-177.9	158.6	166.3	-165.4	0	0	0	0	111.5	F319 P320	S17-F319 WeakPolarHBondContact OG-CB 3.37Å; S17-P320 WeakPolarHBondContact OG-CD 3.5Å; S17-P320 PolarHBondContact OG-O 3.07Å
18	V	40.4	Very low	32.8	Very low	25 Å²	25	89.6 Å²	89.6	15%	0.152	45%	0.45	C	S	.	.			trans	-139.7	-25.6	-158.4	177.6	0	0	0	0	116.2	F319 E672 S675	V18-F319 HydrophobicContact CB-CD1 4.09Å; V18-F319 HydrophobicContact CB-CE1 3.92Å; V18-F319 HydrophobicContact CG1-CE1 4.44Å; V18-E672 HydrophobicContact CB-CG 4.44Å; V18-E672 HydrophobicContact CG1-CB 3.93Å; V18-E672 HydrophobicContact CG1-CG 3.18Å; V18-E672 VanDerWaalsContact O-CG 3.23Å; V18-E672 WeakPolarHBondContact O-CG 3.46Å; V18-S675 VanDerWaalsContact CG1-OG 3.26Å; V18-S675 WeakPolarHBondContact CG1-OG 3.26Å
19	S	33.9	Very low	34.2	Very low	32 Å²	32	82.2 Å²	82.2	22%	0.224	42%	0.423	C	S	.	.	S	Bend	trans	-89	-25	-174.6	-179.9	0	0	0	0	117.1	L21	S19-L21 VanDerWaalsContact C-N 3.31Å
20	D	36.5	Very low	36.1	Very low	38 Å²	38	82.1 Å²	82.1	20%	0.203	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.8	-179.5	-73.2	-25.2	0	0	0	112.8	V22 E322	D20-V22 PolarHBondContact O-N 2.95Å; D20-E322 WeakPolarHBondContact CB-OE1 3.24Å
21	L	34.5	Very low	38.3	Very low	14 Å²	14	80.3 Å²	80.3	7%	0.073	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.8	163.4	-111.1	139.3	0	0	0	112.3	S19 Y25 Y650 L665 A668 E672	S19-L21 VanDerWaalsContact C-N 3.31Å; L21-Y25 WeakPolarHBondContact O-CD2 3.07Å; L21-Y650 HydrophobicContact CG-CE2 4.34Å; L21-L665 HydrophobicContact CD2-CD2 4.33Å; L21-A668 HydrophobicContact CD1-CB 3.91Å; L21-A668 HydrophobicContact CD2-CB 3.69Å; L21-A668 HydrophobicContact CG-CB 4.38Å; L21-E672 WeakPolarHBondContact CB-OE1 3.38Å
22	V	36.2	Very low	40.9	Very low	19 Å²	19	75.6 Å²	75.6	12%	0.115	40%	0.401	C	S	.	.	H	α-helix	trans	-97.2	-46.5	-169.9	-167.1	0	0	0	0	113.6	D20 Q24 E672	D20-V22 PolarHBondContact O-N 2.95Å; V22-Q24 PolarHBondContact O-N 2.71Å; V22-E672 HydrophobicContact CG2-CG 4.29Å; V22-E672 WeakPolarHBondContact CG2-OE1 3.37Å; V22-E672 WeakPolarHBondContact CG2-OE2 3.45Å
23	H	30.5	Very low	43.6	Very low	166 Å²	166	77.1 Å²	77.1	77%	0.769	41%	0.405	S	S	*	.	H	α-helix	trans	-71	-4.4	-165.9	-127.5	-61.5	0	0	0	113.9
24	Q	33.3	Very low	46.4	Very low	45 Å²	45	71.5 Å²	71.5	21%	0.21	39%	0.391	C	S	.	.	H	α-helix	trans	-126.4	-48.8	-160.9	-112	-174.4	55.1	0	0	109.7	V22 W26 S645 N647	V22-Q24 PolarHBondContact O-N 2.71Å; Q24-W26 PolarHBondContact O-N 3.5Å; Q24-S645 VanDerWaalsContact CD-CB 3.44Å; Q24-S645 VanDerWaalsContact CG-O 3.26Å; Q24-S645 WeakPolarHBondContact CG-O 3.5Å; Q24-S645 PolarHBondContact NE2-O 3.29Å; Q24-S645 PolarHBondContact NE2-OG 3.11Å; Q24-S645 VanDerWaalsContact OE1-CB 3.31Å; Q24-S645 PolarHBondContact OE1-O 3.28Å; Q24-N647 VanDerWaalsContact CA-CG 3.49Å; Q24-N647 WeakPolarHBondContact CA-OD1 3.5Å; Q24-N647 HydrophobicContact CB-CB 3.72Å; Q24-N647 WeakPolarHBondContact CB-OD1 3.36Å; Q24-N647 HydrophobicContact CG-CB 4.17Å; Q24-N647 WeakPolarHBondContact CG-OD1 3.47Å; Q24-N647 PolarHBondContact O-ND2 3.25Å; Q24-N647 PolarHBondContact O-OD1 3.4Å
25	Y	39.7	Very low	49.1	Very low	37 Å²	37	71.3 Å²	71.3	15%	0.145	38%	0.377	C	S	.	.	H	α-helix	trans	-70.6	-22.1	-173.4	-79.5	-87.2	0	0	0	117.2	L21 F27 E28 N647 Y650	L21-Y25 WeakPolarHBondContact O-CD2 3.07Å; Y25-F27 PolarHBondContact O-N 3.24Å; Y25-E28 PolarHBondContact O-N 2.96Å; Y25-N647 WeakPolarHBondContact CA-ND2 3.32Å; Y25-N647 HydrophobicContact CD1-CB 4.44Å; Y25-N647 HydrophobicContact CD2-CB 3.89Å; Y25-N647 HydrophobicContact CE1-CB 4.13Å; Y25-N647 WeakPolarHBondContact CE1-O 3.2Å; Y25-N647 HydrophobicContact CE2-CB 3.55Å; Y25-N647 HydrophobicContact CG-CB 4.32Å; Y25-N647 PolarHBondContact N-ND2 3.15Å; Y25-N647 PolarHBondContact OH-O 3.2Å; Y25-Y650 AromaticContact CE2-CD2 3.73Å; Y25-Y650 HydrophobicContact CE2-CD2 3.73Å; Y25-Y650 HydrophobicContact CE2-CG 4.46Å; Y25-Y650 AromaticContact CZ-CD2 3.99Å; Y25-Y650 WeakPolarHBondContact OH-CB 3.29Å; Y25-Y650 PolarHBondContact OH-N 3.18Å
26	W	35.3	Very low	51.8	Low	29 Å²	29	71.6 Å²	71.6	11%	0.11	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.5	-166.5	-82	127.4	0	0	0	116.9	Q24 L105 C106 R107 P108 A110 L665	Q24-W26 PolarHBondContact O-N 3.5Å; W26-L105 WeakPolarHBondContact CH2-O 3.43Å; W26-L105 WeakPolarHBondContact CZ3-O 3.25Å; W26-C106 VanDerWaalsContact CZ3-CA 3.5Å; W26-C106 WeakPolarHBondContact CZ3-O 3.44Å; W26-R107 VanDerWaalsContact CD2-C 3.45Å; W26-R107 WeakPolarHBondContact CH2-O 3.26Å; W26-R107 WeakPolarHBondContact CZ2-O 3.43Å; W26-R107 WeakPolarHBondContact CZ3-O 3.49Å; W26-P108 HydrophobicContact CB-CB 4.1Å; W26-P108 HydrophobicContact CB-CG 4.23Å; W26-P108 HydrophobicContact CG-CB 4.24Å; W26-P108 PolarHBondContact NE1-O 3.22Å; W26-P108 VanDerWaalsContact NE1-O 3.12Å; W26-A110 HydrophobicContact CH2-CB 3.07Å; W26-A110 HydrophobicContact CZ2-CB 3.21Å; W26-A110 HydrophobicContact CZ3-CB 4.17Å; W26-L665 HydrophobicContact CZ3-CD1 4.48Å
27	F	37.4	Very low	54	Low	195 Å²	195	62.3 Å²	62.3	86%	0.855	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.3	177.3	-81.5	-79.1	0	0	0	115.2	Y25	Y25-F27 PolarHBondContact O-N 3.24Å
28	E	39.3	Very low	56.6	Low	124 Å²	124	65 Å²	65	58%	0.579	35%	0.35	S	S	*	.			trans	-152.1	33	-176.9	-62.9	-171.7	175.6	0	0	116.3	Y25 T30 R648	Y25-E28 PolarHBondContact O-N 2.96Å; E28-T30 VanDerWaalsContact C-N 3.32Å; E28-T30 PolarHBondContact O-N 3.4Å; E28-R648 IonicContact OE2-CZ 3.7Å; E28-R648 IonicContact OE2-NE 3.5Å; E28-R648 IonicContact OE2-NH2 2.73Å; E28-R648 PolarHBondContact OE2-NH2 2.96Å
29	A	53.6	Low	59	Low	26 Å²	26	68.5 Å²	68.5	22%	0.215	37%	0.365	C	S	.	.			trans	-65.3	99.4	161.2	0	0	0	0	0	107.6	P31 C106 L665	A29-P31 WeakPolarHBondContact O-CD 3.23Å; A29-C106 HydrophobicContact CB-CB 4.26Å; A29-L665 HydrophobicContact CB-CD1 3.97Å
30	T	64.4	Low	61.7	Low	101 Å²	101	67 Å²	67	62%	0.62	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-68.1	123	177.8	52.5	0	0	0	0	108.1	E28 A32 G661	E28-T30 VanDerWaalsContact C-N 3.32Å; E28-T30 PolarHBondContact O-N 3.4Å; T30-A32 PolarHBondContact O-N 3.28Å; T30-G661 WeakPolarHBondContact O-CA 3.45Å
31	P	73.1	Confident	64.4	Low	89 Å²	89	65.2 Å²	65.2	58%	0.578	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-52	142.5	172.8	-25.6	34.3	0	0	0	110.6	A29 E102	A29-P31 WeakPolarHBondContact O-CD 3.23Å; P31-E102 WeakPolarHBondContact CA-OE1 3.43Å
32	A	79.5	Confident	67.1	Low	21 Å²	21	68.4 Å²	68.4	17%	0.174	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-61.3	152.2	173	0	0	0	0	0	111.4	T30 A34 L37 E102 I660	T30-A32 PolarHBondContact O-N 3.28Å; A32-A34 PolarHBondContact O-N 2.79Å; A32-L37 HydrophobicContact CB-CB 4.34Å; A32-L37 HydrophobicContact CB-CD1 4.11Å; A32-E102 PolarHBondContact N-OE1 3.02Å; A32-I660 HydrophobicContact CB-CB 4.45Å; A32-I660 HydrophobicContact CB-CD1 3.7Å; A32-I660 HydrophobicContact CB-CG1 3.77Å
33	D	83.6	Confident	69.6	Low	105 Å²	105	73.7 Å²	73.7	56%	0.561	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-63.8	124.8	164.4	-176.3	-16.9	0	0	0	108.5	S35 H36 L37	D33-S35 PolarHBondContact O-N 3.33Å; D33-S35 PolarHBondContact OD1-N 3.24Å; D33-S35 PolarHBondContact OD1-OG 3.38Å; D33-S35 PolarHBondContact OD2-OG 2.89Å; D33-H36 HydrophobicContact CB-CB 4.35Å; D33-H36 PolarHBondContact O-N 3.49Å; D33-H36 VanDerWaalsContact O-N 3.16Å; D33-L37 WeakPolarHBondContact O-CB 3.32Å; D33-L37 PolarHBondContact O-N 3.3Å
34	A	84.3	Confident	72.4	Confident	58 Å²	58	67.4 Å²	67.4	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-55.4	-34.8	-178.5	0	0	0	0	0	112.5	A32 L37 H38	A32-A34 PolarHBondContact O-N 2.79Å; A34-L37 PolarHBondContact O-N 3.46Å; A34-H38 WeakPolarHBondContact O-CB 3.37Å; A34-H38 PolarHBondContact O-N 3.17Å
35	S	85.6	Confident	75.1	Confident	77 Å²	77	65.8 Å²	65.8	54%	0.538	34%	0.342	S	S	.	.	H	α-helix	trans	-66.7	-44.6	179.5	61.6	0	0	0	0	112.4	D33 H38 E39	D33-S35 PolarHBondContact O-N 3.33Å; D33-S35 PolarHBondContact OD1-N 3.24Å; D33-S35 PolarHBondContact OD1-OG 3.38Å; D33-S35 PolarHBondContact OD2-OG 2.89Å; S35-H38 PolarHBondContact O-N 3.21Å; S35-E39 PolarHBondContact O-N 3.43Å; S35-E39 VanDerWaalsContact O-N 3.12Å
36	H	87.5	Confident	77	Confident	82 Å²	82	73.8 Å²	73.8	38%	0.38	37%	0.372	S	S	.	.	H	α-helix	trans	-71.8	-34.5	177.9	-168.9	-162	0	0	0	111.6	D33 H38 E39 I40 I660	D33-H36 HydrophobicContact CB-CB 4.35Å; D33-H36 PolarHBondContact O-N 3.49Å; D33-H36 VanDerWaalsContact O-N 3.16Å; H36-H38 VanDerWaalsContact C-N 3.32Å; H36-E39 PolarHBondContact O-N 2.88Å; H36-I40 WeakPolarHBondContact O-CG1 3.24Å; H36-I40 PolarHBondContact O-N 3.35Å; H36-I40 VanDerWaalsContact O-N 3.11Å; H36-I660 HydrophobicContact CB-CD1 3.98Å
37	L	88.9	Confident	78.8	Confident	3 Å²	3	75.4 Å²	75.4	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-39.2	174.2	-165.4	70.6	0	0	0	111.5	A32 D33 A34 I40 F41 F95 F98 E102 I660 Y663	A32-L37 HydrophobicContact CB-CB 4.34Å; A32-L37 HydrophobicContact CB-CD1 4.11Å; D33-L37 WeakPolarHBondContact O-CB 3.32Å; D33-L37 PolarHBondContact O-N 3.3Å; A34-L37 PolarHBondContact O-N 3.46Å; L37-I40 PolarHBondContact O-N 2.83Å; L37-F41 PolarHBondContact O-N 2.76Å; L37-F95 HydrophobicContact CB-CE2 4.46Å; L37-F95 HydrophobicContact CG-CE2 4.37Å; L37-F98 HydrophobicContact CD1-CD1 4.1Å; L37-F98 HydrophobicContact CD1-CE1 3.49Å; L37-F98 VanDerWaalsContact CD1-CE1 3.49Å; L37-F98 HydrophobicContact CD1-CZ 4.39Å; L37-F98 HydrophobicContact CD2-CD1 4.22Å; L37-F98 HydrophobicContact CD2-CE1 4.44Å; L37-F98 HydrophobicContact CG-CD1 3.87Å; L37-F98 HydrophobicContact CG-CE1 3.69Å; L37-E102 HydrophobicContact CD1-CG 4.33Å; L37-E102 HydrophobicContact CD2-CB 4.18Å; L37-E102 HydrophobicContact CD2-CG 4.26Å; L37-I660 HydrophobicContact CB-CD1 4.43Å; L37-I660 HydrophobicContact CD1-CD1 4.26Å; L37-I660 HydrophobicContact CD1-CG1 4.06Å; L37-Y663 HydrophobicContact CD1-CD2 3.94Å; L37-Y663 HydrophobicContact CD1-CE2 4.05Å
38	H	90.5	Very high	80.3	Confident	78 Å²	78	71.8 Å²	71.8	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-43.8	175.7	-171.7	67.4	0	0	0	112.1	A34 S35 H36 I40 F41 E42 F95	A34-H38 WeakPolarHBondContact O-CB 3.37Å; A34-H38 PolarHBondContact O-N 3.17Å; S35-H38 PolarHBondContact O-N 3.21Å; H36-H38 VanDerWaalsContact C-N 3.32Å; H38-I40 VanDerWaalsContact C-N 3.27Å; H38-I40 PolarHBondContact O-N 2.94Å; H38-F41 WeakPolarHBondContact O-CB 3.36Å; H38-F41 PolarHBondContact O-N 3.34Å; H38-F41 VanDerWaalsContact O-N 3.16Å; H38-E42 IonicContact CE1-OE1 3.23Å; H38-E42 IonicContact NE2-OE1 2.79Å; H38-E42 WeakPolarHBondContact O-CG 3.39Å; H38-E42 PolarHBondContact O-N 3.25Å; H38-F95 HydrophobicContact CB-CD2 4.29Å; H38-F95 HydrophobicContact CB-CE1 4.31Å; H38-F95 HydrophobicContact CB-CE2 3.62Å; H38-F95 HydrophobicContact CB-CZ 3.62Å; H38-F95 AromaticContact ND1-CD1 3.7Å; H38-F95 AromaticContact ND1-CD2 3.58Å; H38-F95 AromaticContact ND1-CE1 3.86Å; H38-F95 AromaticContact ND1-CE2 3.77Å; H38-F95 AromaticContact ND1-CG 3.56Å; H38-F95 AromaticContact ND1-CZ 3.89Å
39	E	90.5	Very high	81.5	Confident	99 Å²	99	69.5 Å²	69.5	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-58.2	-41.2	175	-169.8	-169.4	158.6	0	0	111.9	S35 H36 R43	S35-E39 PolarHBondContact O-N 3.43Å; S35-E39 VanDerWaalsContact O-N 3.12Å; H36-E39 PolarHBondContact O-N 2.88Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.75Å; E39-R43 IonicContact OE1-CZ 3.44Å; E39-R43 IonicContact OE1-NE 2.8Å; E39-R43 IonicContact OE1-NH2 3.23Å; E39-R43 PolarHBondContact OE1-NH2 3.5Å
40	I	91.3	Very high	82.2	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-65.3	-47.1	175.8	-70.9	162.1	0	0	0	110.4	H36 L37 H38 E42 R43 Y44 F64 F98 D658 I660	H36-I40 WeakPolarHBondContact O-CG1 3.24Å; H36-I40 PolarHBondContact O-N 3.35Å; H36-I40 VanDerWaalsContact O-N 3.11Å; L37-I40 PolarHBondContact O-N 2.83Å; H38-I40 VanDerWaalsContact C-N 3.27Å; H38-I40 PolarHBondContact O-N 2.94Å; I40-E42 VanDerWaalsContact C-N 3.33Å; I40-E42 PolarHBondContact O-N 2.67Å; I40-R43 WeakPolarHBondContact O-CB 3.4Å; I40-R43 PolarHBondContact O-N 3.15Å; I40-R43 VanDerWaalsContact O-N 3.1Å; I40-Y44 HydrophobicContact CG2-CD2 4.39Å; I40-Y44 HydrophobicContact CG2-CE2 4.29Å; I40-Y44 WeakPolarHBondContact O-CD2 3.48Å; I40-F64 HydrophobicContact CG2-CD2 4.5Å; I40-F64 HydrophobicContact CG2-CE2 3.87Å; I40-F98 HydrophobicContact CG2-CZ 4.39Å; I40-D658 HydrophobicContact CG1-CB 4.38Å; I40-D658 HydrophobicContact CG2-CB 3.92Å; I40-I660 HydrophobicContact CD1-CB 4.46Å; I40-I660 HydrophobicContact CD1-CD1 3.48Å; I40-I660 VanDerWaalsContact CD1-CD1 3.48Å; I40-I660 HydrophobicContact CD1-CG1 3.63Å; I40-I660 HydrophobicContact CD1-CG2 4.02Å
41	F	93	Very high	82.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-55.1	-47.4	178.8	177.9	-94.5	0	0	0	112.1	L37 H38 R43 Y44 A45 M55 I93 S94 F95 F98	L37-F41 PolarHBondContact O-N 2.76Å; H38-F41 WeakPolarHBondContact O-CB 3.36Å; H38-F41 PolarHBondContact O-N 3.34Å; H38-F41 VanDerWaalsContact O-N 3.16Å; F41-R43 VanDerWaalsContact C-N 3.26Å; F41-R43 PolarHBondContact O-N 3.18Å; F41-Y44 PolarHBondContact O-N 3.27Å; F41-A45 HydrophobicContact CD1-CB 4.11Å; F41-A45 HydrophobicContact CE1-CB 3.69Å; F41-A45 HydrophobicContact CZ-CB 3.97Å; F41-A45 WeakPolarHBondContact O-CB 3.33Å; F41-A45 PolarHBondContact O-N 3.23Å; F41-M55 HydrophobicContact CD2-CE 3.72Å; F41-M55 HydrophobicContact CE2-CB 4.08Å; F41-M55 HydrophobicContact CE2-CE 3.99Å; F41-I93 HydrophobicContact CE2-CG2 4.43Å; F41-I93 WeakPolarHBondContact CE2-O 3.35Å; F41-I93 WeakPolarHBondContact CZ-O 3.31Å; F41-S94 WeakPolarHBondContact CE2-O 3.31Å; F41-S94 VanDerWaalsContact CZ-C 3.44Å; F41-F95 HydrophobicContact CB-CD2 3.82Å; F41-F95 HydrophobicContact CB-CE2 4.4Å; F41-F95 HydrophobicContact CD1-CB 3.89Å; F41-F95 HydrophobicContact CD1-CD2 4.1Å; F41-F95 HydrophobicContact CD1-CG 4.43Å; F41-F95 HydrophobicContact CD2-CD2 4.42Å; F41-F95 HydrophobicContact CE1-CB 3.86Å; F41-F95 HydrophobicContact CG-CB 4.26Å; F41-F95 AromaticContact CG-CD2 3.86Å; F41-F95 HydrophobicContact CG-CD2 3.86Å; F41-F95 HydrophobicContact CZ-CB 4.21Å; F41-F95 VanDerWaalsContact CZ-N 3.29Å; F41-F98 HydrophobicContact CB-CD1 4.08Å; F41-F98 HydrophobicContact CB-CE1 4.24Å; F41-F98 HydrophobicContact CD2-CB 3.68Å; F41-F98 HydrophobicContact CD2-CD1 4.01Å; F41-F98 HydrophobicContact CD2-CD2 4.08Å; F41-F98 AromaticContact CD2-CG 3.68Å; F41-F98 HydrophobicContact CD2-CG 3.68Å; F41-F98 HydrophobicContact CE2-CB 4.02Å; F41-F98 HydrophobicContact CE2-CG 4.41Å; F41-F98 HydrophobicContact CG-CD1 4.48Å
42	E	90.7	Very high	82.8	Confident	82 Å²	82	74.4 Å²	74.4	38%	0.383	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-28.2	178	-73.4	-67.9	151.9	0	0	113.7	H38 I40 Y44 T53	H38-E42 IonicContact CE1-OE1 3.23Å; H38-E42 IonicContact NE2-OE1 2.79Å; H38-E42 WeakPolarHBondContact O-CG 3.39Å; H38-E42 PolarHBondContact O-N 3.25Å; I40-E42 VanDerWaalsContact C-N 3.33Å; I40-E42 PolarHBondContact O-N 2.67Å; E42-Y44 PolarHBondContact O-N 3.35Å; E42-T53 PolarHBondContact OE1-OG1 3.34Å
43	R	89.4	Confident	83.1	Confident	129 Å²	129	75.1 Å²	75.1	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-67.5	-26.9	175.7	-69.9	173.5	-172.2	178.6	2.9	112.9	E39 I40 F41 D658	E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.75Å; E39-R43 IonicContact OE1-CZ 3.44Å; E39-R43 IonicContact OE1-NE 2.8Å; E39-R43 IonicContact OE1-NH2 3.23Å; E39-R43 PolarHBondContact OE1-NH2 3.5Å; I40-R43 WeakPolarHBondContact O-CB 3.4Å; I40-R43 PolarHBondContact O-N 3.15Å; I40-R43 VanDerWaalsContact O-N 3.1Å; F41-R43 VanDerWaalsContact C-N 3.26Å; F41-R43 PolarHBondContact O-N 3.18Å; R43-D658 IonicContact NH1-OD1 3.07Å; R43-D658 PolarHBondContact NH1-OD1 2.84Å
44	Y	90.4	Very high	83.5	Confident	35 Å²	35	71.4 Å²	71.4	14%	0.137	38%	0.383	C	S	.	.	H	α-helix	trans	-107.2	-30.4	-175.2	-70.7	-87.4	0	0	0	112.9	I40 F41 E42 M55 V59 H63 F64 H656 D658	I40-Y44 HydrophobicContact CG2-CD2 4.39Å; I40-Y44 HydrophobicContact CG2-CE2 4.29Å; I40-Y44 WeakPolarHBondContact O-CD2 3.48Å; F41-Y44 PolarHBondContact O-N 3.27Å; E42-Y44 PolarHBondContact O-N 3.35Å; Y44-M55 VanDerWaalsContact CB-CE 3.48Å; Y44-M55 HydrophobicContact CG-CE 4.43Å; Y44-V59 HydrophobicContact CD1-CG1 4.16Å; Y44-H63 HydrophobicContact CE1-CB 4.46Å; Y44-F64 HydrophobicContact CD1-CB 4.01Å; Y44-F64 HydrophobicContact CD2-CD2 4.03Å; Y44-F64 HydrophobicContact CE1-CB 4.01Å; Y44-F64 HydrophobicContact CE1-CD2 4.44Å; Y44-F64 AromaticContact CE2-CD2 3.73Å; Y44-F64 HydrophobicContact CE2-CD2 3.73Å; Y44-F64 HydrophobicContact CE2-CE2 4.47Å; Y44-F64 HydrophobicContact CG-CB 4.33Å; Y44-F64 AromaticContact CZ-CD2 3.94Å; Y44-H656 PolarHBondContact OH-CE1 2.97Å; Y44-H656 VanDerWaalsContact OH-CE1 3.22Å; Y44-D658 HydrophobicContact CE2-CB 4.13Å; Y44-D658 PolarHBondContact OH-OD2 3.03Å; Y44-D658 VanDerWaalsContact OH-OD2 3.05Å
45	A	88.7	Confident	83.9	Confident	11 Å²	11	68.7 Å²	68.7	9%	0.091	36%	0.36	C	S	.	.			trans	-66.5	131.1	174	0	0	0	0	0	110.3	F41 F54	F41-A45 HydrophobicContact CD1-CB 4.11Å; F41-A45 HydrophobicContact CE1-CB 3.69Å; F41-A45 HydrophobicContact CZ-CB 3.97Å; F41-A45 WeakPolarHBondContact O-CB 3.33Å; F41-A45 PolarHBondContact O-N 3.23Å; A45-F54 WeakPolarHBondContact CA-O 3.24Å
46	R	79.9	Confident	84.1	Confident	205 Å²	205	67.5 Å²	67.5	77%	0.774	35%	0.346	S	S	*	.			trans	-136.1	-8.7	-179.8	-68.1	-172.2	-178.6	178.5	1.7	113.6	F54	R46-F54 PolarHBondContact N-O 3.42Å
47	D	73	Confident	84.3	Confident	63 Å²	63	64.2 Å²	64.2	34%	0.337	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	98.8	-173.4	-80	23.3	0	0	0	109.5	V49 F54 Q56	D47-V49 PolarHBondContact O-N 3.24Å; D47-F54 HydrophobicContact CB-CB 4.4Å; D47-F54 PolarHBondContact N-O 3.29Å; D47-F54 PolarHBondContact O-N 3.37Å; D47-Q56 WeakPolarHBondContact OD2-CG 3.21Å; D47-Q56 PolarHBondContact OD2-NE2 2.93Å
48	D	69.1	Low	84.4	Confident	119 Å²	119	67.6 Å²	67.6	64%	0.636	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.3	175	-66.4	-37	0	0	0	109.8	T53	D48-T53 VanDerWaalsContact OD1-CG2 3.24Å; D48-T53 WeakPolarHBondContact OD1-CG2 3.13Å
49	V	65.6	Low	84.4	Confident	76 Å²	76	65.5 Å²	65.5	46%	0.461	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	100.8	171.1	-176.7	0	0	0	0	108.2	D47 C52 F54	D47-V49 PolarHBondContact O-N 3.24Å; V49-C52 PolarHBondContact N-O 2.98Å; V49-C52 PolarHBondContact O-N 2.9Å; V49-F54 HydrophobicContact CB-CD2 4.19Å; V49-F54 HydrophobicContact CB-CE2 4Å; V49-F54 HydrophobicContact CG2-CD2 4.39Å
50	G	67.5	Low	84.5	Confident	71 Å²	71	60.8 Å²	60.8	73%	0.732	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-124	-173.5	0	0	0	0	0	111.5
51	N	72.6	Confident	84.5	Confident	175 Å²	175	60.8 Å²	60.8	94%	0.936	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	9.3	176.6	-77	-1.6	0	0	0	113
52	C	77.8	Confident	84.3	Confident	72 Å²	72	62.6 Å²	62.6	49%	0.486	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.5	-176.8	-62.2	0	0	0	0	110.9	V49 F54	V49-C52 PolarHBondContact N-O 2.98Å; V49-C52 PolarHBondContact O-N 2.9Å; C52-F54 HydrophobicContact CB-CD2 4.45Å; C52-F54 HydrophobicContact CB-CE2 3.59Å; C52-F54 HydrophobicContact CB-CZ 3.82Å; C52-F54 WeakPolarHBondContact O-CD2 3.32Å; C52-F54 WeakPolarHBondContact O-CE2 3.31Å
53	T	86.2	Confident	84.1	Confident	36 Å²	36	64.3 Å²	64.3	22%	0.221	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.4	174.5	47.5	0	0	0	0	110.3	E42 D48	E42-T53 PolarHBondContact OE1-OG1 3.34Å; D48-T53 VanDerWaalsContact OD1-CG2 3.24Å; D48-T53 WeakPolarHBondContact OD1-CG2 3.13Å
54	F	90.9	Very high	84.1	Confident	28 Å²	28	58.1 Å²	58.1	12%	0.123	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.8	178.2	-63.1	-89.2	0	0	0	112	A45 R46 D47 V49 C52 R92	A45-F54 WeakPolarHBondContact CA-O 3.24Å; R46-F54 PolarHBondContact N-O 3.42Å; D47-F54 HydrophobicContact CB-CB 4.4Å; D47-F54 PolarHBondContact N-O 3.29Å; D47-F54 PolarHBondContact O-N 3.37Å; V49-F54 HydrophobicContact CB-CD2 4.19Å; V49-F54 HydrophobicContact CB-CE2 4Å; V49-F54 HydrophobicContact CG2-CD2 4.39Å; C52-F54 HydrophobicContact CB-CD2 4.45Å; C52-F54 HydrophobicContact CB-CE2 3.59Å; C52-F54 HydrophobicContact CB-CZ 3.82Å; C52-F54 WeakPolarHBondContact O-CD2 3.32Å; C52-F54 WeakPolarHBondContact O-CE2 3.31Å; F54-R92 HydrophobicContact CB-CB 4.1Å; F54-R92 HydrophobicContact CD1-CB 3.96Å; F54-R92 HydrophobicContact CG-CB 4.28Å
55	M	92.3	Very high	84	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-100	128.9	168.7	-167.6	-178.4	-47.9	0	0	109.9	F41 Y44 V59 F60 F64 I93 F98	F41-M55 HydrophobicContact CD2-CE 3.72Å; F41-M55 HydrophobicContact CE2-CB 4.08Å; F41-M55 HydrophobicContact CE2-CE 3.99Å; Y44-M55 VanDerWaalsContact CB-CE 3.48Å; Y44-M55 HydrophobicContact CG-CE 4.43Å; M55-V59 HydrophobicContact CG-CB 3.93Å; M55-V59 HydrophobicContact CG-CG1 3.85Å; M55-V59 HydrophobicContact SD-CG1 4.25Å; M55-F60 HydrophobicContact CG-CB 4.23Å; M55-F60 VanDerWaalsContact SD-CA 3.52Å; M55-F60 HydrophobicContact SD-CB 3.64Å; M55-F60 HydrophobicContact SD-CD2 3.93Å; M55-F60 HydrophobicContact SD-CG 4.3Å; M55-F64 HydrophobicContact SD-CB 4.46Å; M55-I93 HydrophobicContact CB-CB 4.28Å; M55-I93 PolarHBondContact N-O 2.93Å; M55-I93 PolarHBondContact O-N 3.16Å; M55-F98 HydrophobicContact CE-CD2 4.32Å; M55-F98 HydrophobicContact CE-CE2 4.22Å
56	Q	91.4	Very high	83.7	Confident	52 Å²	52	57.1 Å²	57.1	24%	0.243	31%	0.312	C	S	.	.			trans	-72.2	148.5	175.5	-71.1	-60.7	-42.4	0	0	111.4	D47 E58 V59 F60	D47-Q56 WeakPolarHBondContact OD2-CG 3.21Å; D47-Q56 PolarHBondContact OD2-NE2 2.93Å; Q56-E58 VanDerWaalsContact C-N 3.27Å; Q56-E58 PolarHBondContact O-N 3.45Å; Q56-V59 HydrophobicContact CB-CG2 4.14Å; Q56-V59 WeakPolarHBondContact O-CB 3.5Å; Q56-V59 PolarHBondContact O-N 2.9Å; Q56-F60 PolarHBondContact O-N 3.38Å
57	P	91.3	Very high	83.9	Confident	14 Å²	14	48.9 Å²	48.9	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-50.3	-42.8	178.6	-31.2	38.3	0	0	0	114.2	V59 F60 V61 V78 A82 G91	P57-V59 VanDerWaalsContact C-N 3.34Å; P57-V59 PolarHBondContact O-N 2.99Å; P57-F60 PolarHBondContact O-N 2.97Å; P57-V61 WeakPolarHBondContact O-CB 3.44Å; P57-V61 WeakPolarHBondContact O-CG2 3.25Å; P57-V61 PolarHBondContact O-N 3.49Å; P57-V78 HydrophobicContact CB-CG1 4.25Å; P57-A82 HydrophobicContact CB-CB 3.6Å; P57-A82 HydrophobicContact CG-CB 4.34Å; P57-G91 VanDerWaalsContact CD-O 3.26Å; P57-G91 WeakPolarHBondContact CD-O 3.49Å; P57-G91 WeakPolarHBondContact CG-O 3.43Å
58	E	89.8	Confident	84.1	Confident	74 Å²	74	47 Å²	47	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-36.5	179.5	-62.8	69.8	-154.4	0	0	111.7	Q56 Q62 H63 V78	Q56-E58 VanDerWaalsContact C-N 3.27Å; Q56-E58 PolarHBondContact O-N 3.45Å; E58-Q62 WeakPolarHBondContact O-CB 3.46Å; E58-Q62 PolarHBondContact O-N 2.88Å; E58-H63 PolarHBondContact O-ND1 2.96Å; E58-V78 HydrophobicContact CB-CG1 4.49Å; E58-V78 HydrophobicContact CG-CG1 4.13Å
59	V	90.5	Very high	84.1	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.206	27%	0.267	C	S	.	.	I	π-helix	trans	-68.5	-47.1	176.6	-179.9	0	0	0	0	109.7	Y44 M55 Q56 P57 H63 F64	Y44-V59 HydrophobicContact CD1-CG1 4.16Å; M55-V59 HydrophobicContact CG-CB 3.93Å; M55-V59 HydrophobicContact CG-CG1 3.85Å; M55-V59 HydrophobicContact SD-CG1 4.25Å; Q56-V59 HydrophobicContact CB-CG2 4.14Å; Q56-V59 WeakPolarHBondContact O-CB 3.5Å; Q56-V59 PolarHBondContact O-N 2.9Å; P57-V59 VanDerWaalsContact C-N 3.34Å; P57-V59 PolarHBondContact O-N 2.99Å; V59-H63 HydrophobicContact CG1-CB 4.25Å; V59-H63 CarbonylContact O-C 3.53Å; V59-H63 WeakPolarHBondContact O-CA 3.35Å; V59-H63 VanDerWaalsContact O-CB 3.29Å; V59-H63 WeakPolarHBondContact O-CB 3.23Å; V59-H63 PolarHBondContact O-N 3.42Å; V59-F64 PolarHBondContact O-N 3.35Å
60	F	93.1	Very high	84.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-60.8	-50	178.4	177.5	-108	0	0	0	112.3	M55 Q56 P57 F64 L65 A82 A85 I93 F98 Y101 Y663	M55-F60 HydrophobicContact CG-CB 4.23Å; M55-F60 VanDerWaalsContact SD-CA 3.52Å; M55-F60 HydrophobicContact SD-CB 3.64Å; M55-F60 HydrophobicContact SD-CD2 3.93Å; M55-F60 HydrophobicContact SD-CG 4.3Å; Q56-F60 PolarHBondContact O-N 3.38Å; P57-F60 PolarHBondContact O-N 2.97Å; F60-F64 AromaticContact CD2-CD1 3.81Å; F60-F64 HydrophobicContact CD2-CD1 3.81Å; F60-F64 HydrophobicContact CD2-CE1 4.46Å; F60-F64 AromaticContact CE2-CD1 3.83Å; F60-F64 HydrophobicContact CE2-CD1 3.83Å; F60-F64 HydrophobicContact CE2-CE1 4.06Å; F60-F64 WeakPolarHBondContact O-CB 3.42Å; F60-L65 HydrophobicContact CD1-CD1 4.1Å; F60-L65 HydrophobicContact CE1-CD1 3.53Å; F60-L65 HydrophobicContact CE1-CG 4.24Å; F60-L65 HydrophobicContact CE2-CD1 4.43Å; F60-L65 HydrophobicContact CE2-CG 4.35Å; F60-L65 HydrophobicContact CZ-CD1 3.73Å; F60-L65 HydrophobicContact CZ-CG 4.12Å; F60-L65 WeakPolarHBondContact O-CB 3.39Å; F60-L65 WeakPolarHBondContact O-CG 3.21Å; F60-L65 PolarHBondContact O-N 2.96Å; F60-A82 HydrophobicContact CD1-CB 4.43Å; F60-A85 HydrophobicContact CD1-CB 4.48Å; F60-A85 HydrophobicContact CE1-CB 3.7Å; F60-A85 HydrophobicContact CE2-CB 4.3Å; F60-A85 HydrophobicContact CZ-CB 3.6Å; F60-I93 HydrophobicContact CB-CD1 3.42Å; F60-I93 VanDerWaalsContact CB-CD1 3.42Å; F60-I93 HydrophobicContact CD1-CD1 3.44Å; F60-I93 VanDerWaalsContact CD1-CD1 3.44Å; F60-I93 HydrophobicContact CD2-CD1 3.87Å; F60-I93 HydrophobicContact CE1-CD1 4.12Å; F60-I93 HydrophobicContact CE2-CD1 4.48Å; F60-I93 HydrophobicContact CG-CD1 3.29Å; F60-F98 HydrophobicContact CD2-CD2 4.31Å; F60-F98 HydrophobicContact CD2-CE2 4.26Å; F60-F98 HydrophobicContact CE2-CD2 4.04Å; F60-F98 HydrophobicContact CE2-CE2 4Å; F60-Y101 AromaticContact CZ-CD1 3.97Å; F60-Y101 HydrophobicContact CZ-CD1 3.97Å; F60-Y101 HydrophobicContact CZ-CE1 4.07Å; F60-Y663 AromaticContact CE2-CE1 3.84Å; F60-Y663 HydrophobicContact CE2-CE1 3.84Å; F60-Y663 HydrophobicContact CZ-CE1 4.08Å
61	V	90.5	Very high	84.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-76.4	-47.2	-173.9	177.7	0	0	0	0	111.9	P57 L65 G66 L67 Y68 V78 V81 A82	P57-V61 WeakPolarHBondContact O-CB 3.44Å; P57-V61 WeakPolarHBondContact O-CG2 3.25Å; P57-V61 PolarHBondContact O-N 3.49Å; V61-L65 CarbonylContact O-C 3.05Å; V61-L65 WeakPolarHBondContact O-CB 3.22Å; V61-G66 PolarHBondContact O-N 3.22Å; V61-G66 VanDerWaalsContact O-N 3.14Å; V61-L67 CarbonylContact C-O 3.51Å; V61-L67 HydrophobicContact CG1-CB 4.1Å; V61-L67 PolarHBondContact O-N 2.99Å; V61-Y68 HydrophobicContact CG1-CD2 3.79Å; V61-V78 HydrophobicContact CB-CG1 4.06Å; V61-V78 HydrophobicContact CG2-CG1 4.15Å; V61-V81 HydrophobicContact CG1-CB 4.29Å; V61-V81 HydrophobicContact CG1-CG1 3.93Å; V61-V81 HydrophobicContact CG2-CB 3.99Å; V61-V81 HydrophobicContact CG2-CG1 3.78Å; V61-A82 HydrophobicContact CG2-CB 3.86Å
62	Q	88.8	Confident	83.9	Confident	39 Å²	39	44.4 Å²	44.4	18%	0.182	25%	0.247	C	C	.	.	I	π-helix	trans	-92	-35	-170.6	-54.8	177.6	-40.7	0	0	113.1	E58 G66 L67 Y68 N69	E58-Q62 WeakPolarHBondContact O-CB 3.46Å; E58-Q62 PolarHBondContact O-N 2.88Å; Q62-G66 VanDerWaalsContact O-CA 3.26Å; Q62-G66 WeakPolarHBondContact O-CA 3.48Å; Q62-G66 PolarHBondContact O-N 2.95Å; Q62-L67 WeakPolarHBondContact CA-O 3.46Å; Q62-Y68 PolarHBondContact NE2-O 3.22Å; Q62-N69 VanDerWaalsContact CA-OD1 3.25Å; Q62-N69 WeakPolarHBondContact CA-OD1 3.29Å; Q62-N69 VanDerWaalsContact O-CG 3.29Å; Q62-N69 PolarHBondContact O-ND2 3.34Å; Q62-N69 VanDerWaalsContact O-ND2 3.1Å; Q62-N69 PolarHBondContact O-OD1 3.33Å
63	H	86.9	Confident	83.7	Confident	117 Å²	117	41.6 Å²	41.6	54%	0.542	23%	0.227	S	C	.	.	I	π-helix	trans	-97.1	-45.4	-173.9	-61.1	76.1	0	0	0	112.2	Y44 E58 V59	Y44-H63 HydrophobicContact CE1-CB 4.46Å; E58-H63 PolarHBondContact O-ND1 2.96Å; V59-H63 HydrophobicContact CG1-CB 4.25Å; V59-H63 CarbonylContact O-C 3.53Å; V59-H63 WeakPolarHBondContact O-CA 3.35Å; V59-H63 VanDerWaalsContact O-CB 3.29Å; V59-H63 WeakPolarHBondContact O-CB 3.23Å; V59-H63 PolarHBondContact O-N 3.42Å
64	F	90.5	Very high	83.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-80.2	-59.6	177.2	173.8	-106.1	0	0	0	110.9	I40 Y44 M55 V59 F60 G66 F98 D658 H659 Y663	I40-F64 HydrophobicContact CG2-CD2 4.5Å; I40-F64 HydrophobicContact CG2-CE2 3.87Å; Y44-F64 HydrophobicContact CD1-CB 4.01Å; Y44-F64 HydrophobicContact CD2-CD2 4.03Å; Y44-F64 HydrophobicContact CE1-CB 4.01Å; Y44-F64 HydrophobicContact CE1-CD2 4.44Å; Y44-F64 AromaticContact CE2-CD2 3.73Å; Y44-F64 HydrophobicContact CE2-CD2 3.73Å; Y44-F64 HydrophobicContact CE2-CE2 4.47Å; Y44-F64 HydrophobicContact CG-CB 4.33Å; Y44-F64 AromaticContact CZ-CD2 3.94Å; M55-F64 HydrophobicContact SD-CB 4.46Å; V59-F64 PolarHBondContact O-N 3.35Å; F60-F64 AromaticContact CD2-CD1 3.81Å; F60-F64 HydrophobicContact CD2-CD1 3.81Å; F60-F64 HydrophobicContact CD2-CE1 4.46Å; F60-F64 AromaticContact CE2-CD1 3.83Å; F60-F64 HydrophobicContact CE2-CD1 3.83Å; F60-F64 HydrophobicContact CE2-CE1 4.06Å; F60-F64 WeakPolarHBondContact O-CB 3.42Å; F64-G66 VanDerWaalsContact C-N 3.31Å; F64-G66 PolarHBondContact O-N 3.35Å; F64-F98 AromaticContact CD1-CE2 3.99Å; F64-F98 HydrophobicContact CD1-CE2 3.99Å; F64-F98 AromaticContact CE1-CE2 3.56Å; F64-F98 HydrophobicContact CE1-CE2 3.56Å; F64-F98 AromaticContact CE1-CZ 3.82Å; F64-F98 HydrophobicContact CE1-CZ 3.82Å; F64-F98 HydrophobicContact CE2-CE2 4.35Å; F64-F98 AromaticContact CE2-CZ 3.95Å; F64-F98 HydrophobicContact CE2-CZ 3.95Å; F64-F98 AromaticContact CZ-CE2 3.76Å; F64-F98 HydrophobicContact CZ-CE2 3.76Å; F64-F98 AromaticContact CZ-CZ 3.49Å; F64-F98 HydrophobicContact CZ-CZ 3.49Å; F64-F98 VanDerWaalsContact CZ-CZ 3.49Å; F64-D658 HydrophobicContact CE2-CB 4.33Å; F64-H659 AromaticContact CE2-CD2 3.63Å; F64-H659 AromaticContact CZ-CD2 3.69Å; F64-H659 PolarHBondContact O-NE2 3.32Å; F64-Y663 AromaticContact CE1-CD1 3.43Å; F64-Y663 HydrophobicContact CE1-CD1 3.43Å; F64-Y663 VanDerWaalsContact CE1-CD1 3.43Å; F64-Y663 HydrophobicContact CE1-CD2 4.42Å; F64-Y663 AromaticContact CE1-CE1 3.61Å; F64-Y663 HydrophobicContact CE1-CE1 3.61Å; F64-Y663 AromaticContact CE1-CG 3.88Å; F64-Y663 HydrophobicContact CE1-CG 3.88Å; F64-Y663 AromaticContact CZ-CD1 3.81Å; F64-Y663 HydrophobicContact CZ-CD1 3.81Å; F64-Y663 HydrophobicContact CZ-CD2 4.11Å; F64-Y663 HydrophobicContact CZ-CE1 4.25Å; F64-Y663 AromaticContact CZ-CG 3.73Å; F64-Y663 HydrophobicContact CZ-CG 3.73Å
65	L	88.4	Confident	83.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-75.1	-15.2	178.4	-66	-177	0	0	0	113.1	F60 V61 L67 Y663 A666 R667 F670	F60-L65 HydrophobicContact CD1-CD1 4.1Å; F60-L65 HydrophobicContact CE1-CD1 3.53Å; F60-L65 HydrophobicContact CE1-CG 4.24Å; F60-L65 HydrophobicContact CE2-CD1 4.43Å; F60-L65 HydrophobicContact CE2-CG 4.35Å; F60-L65 HydrophobicContact CZ-CD1 3.73Å; F60-L65 HydrophobicContact CZ-CG 4.12Å; F60-L65 WeakPolarHBondContact O-CB 3.39Å; F60-L65 WeakPolarHBondContact O-CG 3.21Å; F60-L65 PolarHBondContact O-N 2.96Å; V61-L65 CarbonylContact O-C 3.05Å; V61-L65 WeakPolarHBondContact O-CB 3.22Å; L65-L67 HydrophobicContact CB-CD1 4.19Å; L65-L67 HydrophobicContact CB-CG 4.11Å; L65-L67 HydrophobicContact CD1-CD1 4.27Å; L65-L67 PolarHBondContact O-N 3.42Å; L65-Y663 HydrophobicContact CD2-CD1 4.26Å; L65-A666 HydrophobicContact CD2-CB 3.52Å; L65-R667 VanDerWaalsContact O-CZ 3.3Å; L65-R667 PolarHBondContact O-NE 3.3Å; L65-R667 PolarHBondContact O-NH2 3.2Å; L65-R667 VanDerWaalsContact O-NH2 3.14Å; L65-F670 HydrophobicContact CD1-CD2 4.12Å; L65-F670 HydrophobicContact CD1-CE2 3.63Å
66	G	82.8	Confident	82.8	Confident	24 Å²	24	45.4 Å²	45.4	25%	0.247	26%	0.258	C	S	.	.			trans	63.1	23.5	179.1	0	0	0	0	0	114.9	V61 Q62 F64 N69	V61-G66 PolarHBondContact O-N 3.22Å; V61-G66 VanDerWaalsContact O-N 3.14Å; Q62-G66 VanDerWaalsContact O-CA 3.26Å; Q62-G66 WeakPolarHBondContact O-CA 3.48Å; Q62-G66 PolarHBondContact O-N 2.95Å; F64-G66 VanDerWaalsContact C-N 3.31Å; F64-G66 PolarHBondContact O-N 3.35Å; G66-N69 PolarHBondContact O-OD1 3.13Å
67	L	82.3	Confident	82.6	Confident	32 Å²	32	43 Å²	43	17%	0.168	25%	0.247	C	C	.	.			trans	-102.3	143	-179.9	-61.3	177.1	0	0	0	110.1	V61 Q62 L65 N69 R667 F670	V61-L67 CarbonylContact C-O 3.51Å; V61-L67 HydrophobicContact CG1-CB 4.1Å; V61-L67 PolarHBondContact O-N 2.99Å; Q62-L67 WeakPolarHBondContact CA-O 3.46Å; L65-L67 HydrophobicContact CB-CD1 4.19Å; L65-L67 HydrophobicContact CB-CG 4.11Å; L65-L67 HydrophobicContact CD1-CD1 4.27Å; L65-L67 PolarHBondContact O-N 3.42Å; L67-N69 PolarHBondContact N-OD1 3.16Å; L67-N69 PolarHBondContact O-N 3Å; L67-N69 PolarHBondContact O-OD1 3.45Å; L67-N69 VanDerWaalsContact O-OD1 3.09Å; L67-R667 HydrophobicContact CD2-CG 4.12Å; L67-R667 HydrophobicContact CG-CG 4.45Å; L67-F670 HydrophobicContact CD1-CB 4.01Å; L67-F670 HydrophobicContact CD1-CD2 3.86Å; L67-F670 HydrophobicContact CD1-CG 4.13Å
68	Y	77.4	Confident	82.5	Confident	25 Å²	25	42.4 Å²	42.4	10%	0.098	24%	0.243	C	C	.	.	S	Bend	trans	56.7	44	178.1	-49.7	-88.9	0	0	0	114.5	V61 Q62 T70 T73 V77 V81 Q674 L681 T683	V61-Y68 HydrophobicContact CG1-CD2 3.79Å; Q62-Y68 PolarHBondContact NE2-O 3.22Å; Y68-T70 PolarHBondContact O-N 3.37Å; Y68-T70 VanDerWaalsContact O-N 3.08Å; Y68-T73 HydrophobicContact CD1-CG2 4.28Å; Y68-T73 HydrophobicContact CG-CG2 4.23Å; Y68-T73 PolarHBondContact O-OG1 2.79Å; Y68-V77 HydrophobicContact CD1-CG1 3.9Å; Y68-V77 HydrophobicContact CE1-CG1 3.52Å; Y68-V77 HydrophobicContact CE2-CG1 4.32Å; Y68-V77 HydrophobicContact CG-CG1 4.42Å; Y68-V81 HydrophobicContact CD2-CG2 4.47Å; Y68-V81 HydrophobicContact CE2-CG2 3.64Å; Y68-Q674 PolarHBondContact OH-NE2 3.19Å; Y68-L681 HydrophobicContact CE1-CB 4.47Å; Y68-T683 HydrophobicContact CD1-CG2 4.28Å; Y68-T683 HydrophobicContact CE1-CG2 4.32Å
69	N	70.6	Confident	82.6	Confident	100 Å²	100	40.7 Å²	40.7	54%	0.535	24%	0.242	S	C	.	.			trans	-77.2	15.1	-175.5	-66.6	13.9	0	0	0	114.6	Q62 G66 L67	Q62-N69 VanDerWaalsContact CA-OD1 3.25Å; Q62-N69 WeakPolarHBondContact CA-OD1 3.29Å; Q62-N69 VanDerWaalsContact O-CG 3.29Å; Q62-N69 PolarHBondContact O-ND2 3.34Å; Q62-N69 VanDerWaalsContact O-ND2 3.1Å; Q62-N69 PolarHBondContact O-OD1 3.33Å; G66-N69 PolarHBondContact O-OD1 3.13Å; L67-N69 PolarHBondContact N-OD1 3.16Å; L67-N69 PolarHBondContact O-N 3Å; L67-N69 PolarHBondContact O-OD1 3.45Å; L67-N69 VanDerWaalsContact O-OD1 3.09Å
70	T	69.1	Low	82.6	Confident	39 Å²	39	39.1 Å²	39.1	24%	0.239	23%	0.232	C	C	.	.	S	Bend	trans	-89.3	137.8	179.7	41.9	0	0	0	0	110.6	Y68 E72 T73 T683 F684	Y68-T70 PolarHBondContact O-N 3.37Å; Y68-T70 VanDerWaalsContact O-N 3.08Å; T70-E72 PolarHBondContact O-N 3.33Å; T70-T73 WeakPolarHBondContact O-CB 3.42Å; T70-T73 PolarHBondContact O-N 2.95Å; T70-T73 PolarHBondContact O-OG1 3.14Å; T70-T73 PolarHBondContact OG1-OG1 3.38Å; T70-T683 PolarHBondContact OG1-O 3.04Å; T70-F684 HydrophobicContact CG2-CE1 4.33Å
71	S	63.4	Low	82.5	Confident	130 Å²	130	39.1 Å²	39.1	91%	0.909	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.2	177.3	51.7	0	0	0	0	114.1
72	E	68	Low	82.6	Confident	116 Å²	116	39.3 Å²	39.3	54%	0.542	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.3	-179.9	-67.8	178.7	-176.2	0	0	113.6	T70 F684 K685	T70-E72 PolarHBondContact O-N 3.33Å; E72-F684 HydrophobicContact CB-CD1 3.86Å; E72-F684 CarbonylContact O-C 3.55Å; E72-F684 WeakPolarHBondContact O-CA 3.19Å; E72-F684 VanDerWaalsContact OE2-CD1 3.23Å; E72-F684 WeakPolarHBondContact OE2-CD1 3.08Å; E72-K685 PolarHBondContact O-N 3.05Å
73	T	73.4	Confident	82.9	Confident	14 Å²	14	39.1 Å²	39.1	9%	0.086	23%	0.231	C	C	.	.			trans	-63.8	137.8	179.8	-55.5	0	0	0	0	110.9	Y68 T70 V78	Y68-T73 HydrophobicContact CD1-CG2 4.28Å; Y68-T73 HydrophobicContact CG-CG2 4.23Å; Y68-T73 PolarHBondContact O-OG1 2.79Å; T70-T73 WeakPolarHBondContact O-CB 3.42Å; T70-T73 PolarHBondContact O-N 2.95Å; T70-T73 PolarHBondContact O-OG1 3.14Å; T70-T73 PolarHBondContact OG1-OG1 3.38Å; T73-V78 HydrophobicContact CG2-CG2 3.71Å
74	D	79.7	Confident	83.2	Confident	35 Å²	35	33.6 Å²	33.6	19%	0.187	21%	0.206	C	C	.	.			trans	-70.8	126.8	172.4	-170	-13.6	0	0	0	110.8	A76 V77 V78 K685	D74-A76 PolarHBondContact O-N 3.18Å; D74-A76 WeakPolarHBondContact OD1-CB 3.38Å; D74-A76 PolarHBondContact OD1-N 2.86Å; D74-V77 HydrophobicContact CB-CB 4.43Å; D74-V77 HydrophobicContact CB-CG2 4.05Å; D74-V77 WeakPolarHBondContact O-CB 3.49Å; D74-V77 PolarHBondContact O-N 2.66Å; D74-V78 PolarHBondContact O-N 2.73Å; D74-K685 HydrophobicContact CB-CG 4.19Å
75	S	84.9	Confident	83.4	Confident	74 Å²	74	33.6 Å²	33.6	52%	0.517	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-29	175.6	51.2	0	0	0	0	112.2	V77 V78 A79	S75-V77 VanDerWaalsContact C-N 3.3Å; S75-V77 PolarHBondContact O-N 2.72Å; S75-V78 PolarHBondContact O-N 2.91Å; S75-A79 WeakPolarHBondContact O-CB 3.42Å; S75-A79 PolarHBondContact O-N 2.78Å
76	A	86.3	Confident	83.6	Confident	35 Å²	35	34.1 Å²	34.1	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-36.8	175.1	0	0	0	0	0	112.1	D74 V80 L140	D74-A76 PolarHBondContact O-N 3.18Å; D74-A76 WeakPolarHBondContact OD1-CB 3.38Å; D74-A76 PolarHBondContact OD1-N 2.86Å; A76-V80 VanDerWaalsContact O-CG2 3.24Å; A76-V80 WeakPolarHBondContact O-CG2 3.25Å; A76-V80 PolarHBondContact O-N 3.35Å; A76-L140 HydrophobicContact CB-CD1 4.44Å; A76-L140 HydrophobicContact CB-CD2 4.27Å
77	V	86.8	Confident	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.9	-45.2	178	170.5	0	0	0	0	110.6	Y68 D74 S75 A79 V80 V81 L681 P682	Y68-V77 HydrophobicContact CD1-CG1 3.9Å; Y68-V77 HydrophobicContact CE1-CG1 3.52Å; Y68-V77 HydrophobicContact CE2-CG1 4.32Å; Y68-V77 HydrophobicContact CG-CG1 4.42Å; D74-V77 HydrophobicContact CB-CB 4.43Å; D74-V77 HydrophobicContact CB-CG2 4.05Å; D74-V77 WeakPolarHBondContact O-CB 3.49Å; D74-V77 PolarHBondContact O-N 2.66Å; S75-V77 VanDerWaalsContact C-N 3.3Å; S75-V77 PolarHBondContact O-N 2.72Å; V77-A79 VanDerWaalsContact C-N 3.32Å; V77-A79 PolarHBondContact O-N 2.88Å; V77-V80 PolarHBondContact O-N 3.44Å; V77-V81 WeakPolarHBondContact O-CG2 3.3Å; V77-V81 PolarHBondContact O-N 3.45Å; V77-V81 VanDerWaalsContact O-N 3.1Å; V77-L681 HydrophobicContact CG1-CB 3.79Å; V77-L681 HydrophobicContact CG1-CD1 4.03Å; V77-L681 HydrophobicContact CG1-CG 4.46Å; V77-L681 HydrophobicContact CG2-CB 4.28Å; V77-P682 HydrophobicContact CG2-CG 3.89Å
78	V	89.6	Confident	84.2	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175	175	0	0	0	0	110.6	P57 E58 V61 T73 D74 S75 V80 V81 A82	P57-V78 HydrophobicContact CB-CG1 4.25Å; E58-V78 HydrophobicContact CB-CG1 4.49Å; E58-V78 HydrophobicContact CG-CG1 4.13Å; V61-V78 HydrophobicContact CB-CG1 4.06Å; V61-V78 HydrophobicContact CG2-CG1 4.15Å; T73-V78 HydrophobicContact CG2-CG2 3.71Å; D74-V78 PolarHBondContact O-N 2.73Å; S75-V78 PolarHBondContact O-N 2.91Å; V78-V80 VanDerWaalsContact C-N 3.33Å; V78-V80 PolarHBondContact O-N 2.9Å; V78-V81 PolarHBondContact O-N 3.1Å; V78-A82 WeakPolarHBondContact O-CB 3.03Å; V78-A82 PolarHBondContact O-N 3.12Å
79	A	91.1	Very high	84.9	Confident	38 Å²	38	36.1 Å²	36.1	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-37	178.5	0	0	0	0	0	113	S75 V77 R83	S75-A79 WeakPolarHBondContact O-CB 3.42Å; S75-A79 PolarHBondContact O-N 2.78Å; V77-A79 VanDerWaalsContact C-N 3.32Å; V77-A79 PolarHBondContact O-N 2.88Å; A79-R83 WeakPolarHBondContact O-CB 3.41Å; A79-R83 PolarHBondContact O-N 3.07Å
80	V	91.2	Very high	85.7	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-42.1	176.4	168	0	0	0	0	111.7	A76 V77 V78 R83 M118 L137 L140 L681	A76-V80 VanDerWaalsContact O-CG2 3.24Å; A76-V80 WeakPolarHBondContact O-CG2 3.25Å; A76-V80 PolarHBondContact O-N 3.35Å; V77-V80 PolarHBondContact O-N 3.44Å; V78-V80 VanDerWaalsContact C-N 3.33Å; V78-V80 PolarHBondContact O-N 2.9Å; V80-R83 WeakPolarHBondContact O-CB 3.4Å; V80-R83 PolarHBondContact O-N 3.5Å; V80-M118 HydrophobicContact CG1-CB 4.24Å; V80-M118 HydrophobicContact CG1-CE 3.78Å; V80-L137 HydrophobicContact CG1-CD1 3.67Å; V80-L137 HydrophobicContact CG1-CG 3.96Å; V80-L140 HydrophobicContact CG2-CD1 3.65Å; V80-L681 HydrophobicContact CG1-CD1 4.15Å
81	V	90.6	Very high	86.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.5	-45	-179.7	176.1	0	0	0	0	110.4	V61 Y68 V77 V78 R83 A84 F670 L681	V61-V81 HydrophobicContact CG1-CB 4.29Å; V61-V81 HydrophobicContact CG1-CG1 3.93Å; V61-V81 HydrophobicContact CG2-CB 3.99Å; V61-V81 HydrophobicContact CG2-CG1 3.78Å; Y68-V81 HydrophobicContact CD2-CG2 4.47Å; Y68-V81 HydrophobicContact CE2-CG2 3.64Å; V77-V81 WeakPolarHBondContact O-CG2 3.3Å; V77-V81 PolarHBondContact O-N 3.45Å; V77-V81 VanDerWaalsContact O-N 3.1Å; V78-V81 PolarHBondContact O-N 3.1Å; V81-R83 VanDerWaalsContact C-N 3.26Å; V81-R83 PolarHBondContact O-N 3.48Å; V81-A84 WeakPolarHBondContact O-CB 3.21Å; V81-A84 PolarHBondContact O-N 2.83Å; V81-F670 HydrophobicContact CB-CE1 4.39Å; V81-F670 HydrophobicContact CG1-CD1 3.99Å; V81-F670 HydrophobicContact CG1-CD2 4.41Å; V81-F670 HydrophobicContact CG1-CE1 3.62Å; V81-F670 HydrophobicContact CG1-CE2 4.08Å; V81-F670 HydrophobicContact CG1-CG 4.37Å; V81-F670 HydrophobicContact CG1-CZ 3.66Å; V81-L681 HydrophobicContact CG2-CD1 3.88Å
82	A	93.7	Very high	88.1	Confident	3 Å²	3	31 Å²	31	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-32.5	176.2	0	0	0	0	0	112.8	P57 F60 V61 V78 A84 A85 D86 I93	P57-A82 HydrophobicContact CB-CB 3.6Å; P57-A82 HydrophobicContact CG-CB 4.34Å; F60-A82 HydrophobicContact CD1-CB 4.43Å; V61-A82 HydrophobicContact CG2-CB 3.86Å; V78-A82 WeakPolarHBondContact O-CB 3.03Å; V78-A82 PolarHBondContact O-N 3.12Å; A82-A84 PolarHBondContact O-N 2.94Å; A82-A84 VanDerWaalsContact O-N 3.11Å; A82-A85 PolarHBondContact O-N 3.27Å; A82-D86 PolarHBondContact O-N 2.91Å; A82-D86 VanDerWaalsContact O-N 3.08Å; A82-I93 HydrophobicContact CB-CD1 4.35Å
83	R	94.4	Very high	89.3	Confident	36 Å²	36	25.5 Å²	25.5	14%	0.136	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.4	177.7	-162.4	179.9	-54.3	117.7	6.8	113.7	A79 V80 V81 A85 K89 M118 N120	A79-R83 WeakPolarHBondContact O-CB 3.41Å; A79-R83 PolarHBondContact O-N 3.07Å; V80-R83 WeakPolarHBondContact O-CB 3.4Å; V80-R83 PolarHBondContact O-N 3.5Å; V81-R83 VanDerWaalsContact C-N 3.26Å; V81-R83 PolarHBondContact O-N 3.48Å; R83-A85 PolarHBondContact O-N 2.84Å; R83-K89 HydrophobicContact CG-CD 3.83Å; R83-K89 PolarHBondContact O-NZ 3.35Å; R83-M118 PolarHBondContact NH1-O 2.88Å; R83-N120 WeakPolarHBondContact CD-O 3.41Å
84	A	93.6	Very high	90.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.5	174.5	0	0	0	0	0	112.4	V81 A82 Y101 T114 M118 F670	V81-A84 WeakPolarHBondContact O-CB 3.21Å; V81-A84 PolarHBondContact O-N 2.83Å; A82-A84 PolarHBondContact O-N 2.94Å; A82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y101 HydrophobicContact CB-CE2 3.86Å; A84-Y101 VanDerWaalsContact O-CD2 3.25Å; A84-Y101 WeakPolarHBondContact O-CD2 3.46Å; A84-T114 HydrophobicContact CB-CG2 4Å; A84-M118 HydrophobicContact CB-CG 3.8Å; A84-F670 HydrophobicContact CB-CE1 4.05Å; A84-F670 HydrophobicContact CB-CZ 3.83Å
85	A	94.1	Very high	90.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-39.5	-179.6	0	0	0	0	0	112.6	F60 A82 R83 C87 I93 D97 Y101	F60-A85 HydrophobicContact CD1-CB 4.48Å; F60-A85 HydrophobicContact CE1-CB 3.7Å; F60-A85 HydrophobicContact CE2-CB 4.3Å; F60-A85 HydrophobicContact CZ-CB 3.6Å; A82-A85 PolarHBondContact O-N 3.27Å; R83-A85 PolarHBondContact O-N 2.84Å; A85-C87 PolarHBondContact O-N 3.06Å; A85-C87 PolarHBondContact O-SG 3.18Å; A85-C87 VanDerWaalsContact O-SG 3.41Å; A85-I93 HydrophobicContact CB-CD1 4.1Å; A85-I93 HydrophobicContact CB-CG1 4.45Å; A85-D97 WeakPolarHBondContact O-CB 3.22Å; A85-Y101 HydrophobicContact CB-CD1 3.77Å; A85-Y101 HydrophobicContact CB-CD2 4.29Å; A85-Y101 HydrophobicContact CB-CE1 4.43Å; A85-Y101 HydrophobicContact CB-CG 3.69Å
86	D	93.3	Very high	91.3	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.059	16%	0.163	C	C	.	.			trans	-62.9	95.1	175.1	174.8	8.4	0	0	0	109.9	A82 D88 K89 D90 G91 R92 I93	A82-D86 PolarHBondContact O-N 2.91Å; A82-D86 VanDerWaalsContact O-N 3.08Å; D86-D88 PolarHBondContact OD1-N 3.27Å; D86-K89 WeakPolarHBondContact O-CD 3.25Å; D86-K89 WeakPolarHBondContact O-CE 3.25Å; D86-K89 PolarHBondContact O-NZ 3.21Å; D86-K89 WeakPolarHBondContact OD1-CA 3.34Å; D86-K89 PolarHBondContact OD1-N 3.47Å; D86-K89 WeakPolarHBondContact OD2-CA 3.49Å; D86-D90 PolarHBondContact OD1-N 2.92Å; D86-D90 PolarHBondContact OD2-N 3.37Å; D86-G91 WeakPolarHBondContact OD2-CA 3.23Å; D86-G91 PolarHBondContact OD2-N 3.12Å; D86-R92 VanDerWaalsContact CG-O 3.26Å; D86-I93 HydrophobicContact CB-CG1 4.24Å
87	C	88.5	Confident	91.6	Very high	15 Å²	15	27.8 Å²	27.8	10%	0.101	15%	0.15	C	C	.	.	S	Bend	trans	-79.6	-29.6	-179.2	-66.7	0	0	0	0	111.5	A85 K89 D97	A85-C87 PolarHBondContact O-N 3.06Å; A85-C87 PolarHBondContact O-SG 3.18Å; A85-C87 VanDerWaalsContact O-SG 3.41Å; C87-K89 VanDerWaalsContact C-N 3.31Å; C87-D97 WeakPolarHBondContact CA-OD1 3.33Å; C87-D97 WeakPolarHBondContact CB-OD1 3.48Å; C87-D97 PolarHBondContact N-OD1 2.89Å
88	D	88.3	Confident	92	Very high	87 Å²	87	27.8 Å²	27.8	47%	0.465	15%	0.15	S	C	.	.	S	Bend	trans	-81.8	-8.3	179.5	-73.3	-19.7	0	0	0	113.8	D86 D90 D97 K123	D86-D88 PolarHBondContact OD1-N 3.27Å; D88-D90 PolarHBondContact O-N 2.89Å; D88-D97 PolarHBondContact N-OD1 3.33Å; D88-K123 WeakPolarHBondContact O-CD 3.23Å; D88-K123 WeakPolarHBondContact O-CE 3.17Å; D88-K123 VanDerWaalsContact O-CG 3.29Å; D88-K123 WeakPolarHBondContact O-CG 3.44Å; D88-K123 PolarHBondContact O-NZ 2.89Å
89	K	92	Very high	92.1	Very high	22 Å²	22	29.1 Å²	29.1	10%	0.096	16%	0.159	C	C	.	.			trans	49.2	43.1	-179.6	-46.3	-61.6	171.1	-166.6	0	111.9	R83 D86 C87 E117 N120 K123	R83-K89 HydrophobicContact CG-CD 3.83Å; R83-K89 PolarHBondContact O-NZ 3.35Å; D86-K89 WeakPolarHBondContact O-CD 3.25Å; D86-K89 WeakPolarHBondContact O-CE 3.25Å; D86-K89 PolarHBondContact O-NZ 3.21Å; D86-K89 WeakPolarHBondContact OD1-CA 3.34Å; D86-K89 PolarHBondContact OD1-N 3.47Å; D86-K89 WeakPolarHBondContact OD2-CA 3.49Å; C87-K89 VanDerWaalsContact C-N 3.31Å; K89-E117 WeakPolarHBondContact CE-OE2 3.15Å; K89-E117 PolarHBondContact NZ-O 3.46Å; K89-E117 IonicContact NZ-OE2 3.46Å; K89-E117 PolarHBondContact NZ-OE2 3.34Å; K89-N120 WeakPolarHBondContact CD-O 3.25Å; K89-N120 VanDerWaalsContact CE-ND2 3.35Å; K89-N120 WeakPolarHBondContact CE-ND2 3.29Å; K89-N120 WeakPolarHBondContact CE-O 3.37Å; K89-K123 HydrophobicContact CB-CG 4.1Å; K89-K123 WeakPolarHBondContact O-CE 3.4Å; K89-K123 PolarHBondContact O-NZ 3.32Å; K89-K123 VanDerWaalsContact O-NZ 3.08Å
90	D	88.4	Confident	92.2	Very high	51 Å²	51	30.5 Å²	30.5	27%	0.273	16%	0.162	S	C	.	.	S	Bend	trans	-102.2	0.6	179.3	90	-26.1	0	0	0	113.3	D86 D88 R92	D86-D90 PolarHBondContact OD1-N 2.92Å; D86-D90 PolarHBondContact OD2-N 3.37Å; D88-D90 PolarHBondContact O-N 2.89Å; D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 WeakPolarHBondContact OD1-CA 3.21Å; D90-R92 WeakPolarHBondContact OD1-CB 3.27Å; D90-R92 PolarHBondContact OD1-N 3.13Å; D90-R92 IonicContact OD2-CZ 3.88Å; D90-R92 IonicContact OD2-NE 2.8Å; D90-R92 PolarHBondContact OD2-NE 3.25Å; D90-R92 IonicContact OD2-NH2 3.95Å; D90-R92 PolarHBondContact OD2-NH2 3.4Å
91	G	90.3	Very high	92.3	Very high	38 Å²	38	30.5 Å²	30.5	39%	0.392	16%	0.161	S	C	.	.	S	Bend	trans	83.5	9.6	-179.3	0	0	0	0	0	113.4	P57 D86	P57-G91 VanDerWaalsContact CD-O 3.26Å; P57-G91 WeakPolarHBondContact CD-O 3.49Å; P57-G91 WeakPolarHBondContact CG-O 3.43Å; D86-G91 WeakPolarHBondContact OD2-CA 3.23Å; D86-G91 PolarHBondContact OD2-N 3.12Å
92	R	91.6	Very high	92.3	Very high	71 Å²	71	30.7 Å²	30.7	27%	0.268	16%	0.162	S	C	.	.	S	Bend	trans	-135.1	164.3	176.5	-63.5	173.9	-67.1	-158.5	1.1	109.3	F54 D86 D90	F54-R92 HydrophobicContact CB-CB 4.1Å; F54-R92 HydrophobicContact CD1-CB 3.96Å; F54-R92 HydrophobicContact CG-CB 4.28Å; D86-R92 VanDerWaalsContact CG-O 3.26Å; D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 WeakPolarHBondContact OD1-CA 3.21Å; D90-R92 WeakPolarHBondContact OD1-CB 3.27Å; D90-R92 PolarHBondContact OD1-N 3.13Å; D90-R92 IonicContact OD2-CZ 3.88Å; D90-R92 IonicContact OD2-NE 2.8Å; D90-R92 PolarHBondContact OD2-NE 3.25Å; D90-R92 IonicContact OD2-NH2 3.95Å; D90-R92 PolarHBondContact OD2-NH2 3.4Å
93	I	93.6	Very high	92.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-117.7	111.1	-180	-64.1	165.5	0	0	0	107.8	F41 M55 F60 A82 A85 D86 D97 F98	F41-I93 HydrophobicContact CE2-CG2 4.43Å; F41-I93 WeakPolarHBondContact CE2-O 3.35Å; F41-I93 WeakPolarHBondContact CZ-O 3.31Å; M55-I93 HydrophobicContact CB-CB 4.28Å; M55-I93 PolarHBondContact N-O 2.93Å; M55-I93 PolarHBondContact O-N 3.16Å; F60-I93 HydrophobicContact CB-CD1 3.42Å; F60-I93 VanDerWaalsContact CB-CD1 3.42Å; F60-I93 HydrophobicContact CD1-CD1 3.44Å; F60-I93 VanDerWaalsContact CD1-CD1 3.44Å; F60-I93 HydrophobicContact CD2-CD1 3.87Å; F60-I93 HydrophobicContact CE1-CD1 4.12Å; F60-I93 HydrophobicContact CE2-CD1 4.48Å; F60-I93 HydrophobicContact CG-CD1 3.29Å; A82-I93 HydrophobicContact CB-CD1 4.35Å; A85-I93 HydrophobicContact CB-CD1 4.1Å; A85-I93 HydrophobicContact CB-CG1 4.45Å; D86-I93 HydrophobicContact CB-CG1 4.24Å; I93-D97 HydrophobicContact CG2-CB 3.88Å; I93-F98 HydrophobicContact CG2-CB 4.14Å
94	S	93.4	Very high	91.8	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.119	18%	0.179	C	C	.	.			trans	-76.9	170.3	170.8	70.5	0	0	0	0	111.3	F41 E96 D97 F98	F41-S94 WeakPolarHBondContact CE2-O 3.31Å; F41-S94 VanDerWaalsContact CZ-C 3.44Å; S94-E96 PolarHBondContact O-N 3.22Å; S94-E96 PolarHBondContact OG-N 3.01Å; S94-D97 WeakPolarHBondContact CB-OD2 3.33Å; S94-D97 PolarHBondContact N-OD2 2.92Å; S94-D97 WeakPolarHBondContact O-CB 3.33Å; S94-D97 PolarHBondContact O-N 3.23Å; S94-D97 PolarHBondContact OG-N 3.39Å; S94-D97 VanDerWaalsContact OG-N 3.1Å; S94-D97 PolarHBondContact OG-OD2 2.89Å; S94-F98 WeakPolarHBondContact O-CB 3.3Å; S94-F98 PolarHBondContact O-N 3.45Å
95	F	93.3	Very high	91.5	Very high	59 Å²	59	32.7 Å²	32.7	26%	0.259	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-33.6	172.2	177.1	-112.5	0	0	0	112	L37 H38 F41 F98 S99	L37-F95 HydrophobicContact CB-CE2 4.46Å; L37-F95 HydrophobicContact CG-CE2 4.37Å; H38-F95 HydrophobicContact CB-CD2 4.29Å; H38-F95 HydrophobicContact CB-CE1 4.31Å; H38-F95 HydrophobicContact CB-CE2 3.62Å; H38-F95 HydrophobicContact CB-CZ 3.62Å; H38-F95 AromaticContact ND1-CD1 3.7Å; H38-F95 AromaticContact ND1-CD2 3.58Å; H38-F95 AromaticContact ND1-CE1 3.86Å; H38-F95 AromaticContact ND1-CE2 3.77Å; H38-F95 AromaticContact ND1-CG 3.56Å; H38-F95 AromaticContact ND1-CZ 3.89Å; F41-F95 HydrophobicContact CB-CD2 3.82Å; F41-F95 HydrophobicContact CB-CE2 4.4Å; F41-F95 HydrophobicContact CD1-CB 3.89Å; F41-F95 HydrophobicContact CD1-CD2 4.1Å; F41-F95 HydrophobicContact CD1-CG 4.43Å; F41-F95 HydrophobicContact CD2-CD2 4.42Å; F41-F95 HydrophobicContact CE1-CB 3.86Å; F41-F95 HydrophobicContact CG-CB 4.26Å; F41-F95 AromaticContact CG-CD2 3.86Å; F41-F95 HydrophobicContact CG-CD2 3.86Å; F41-F95 HydrophobicContact CZ-CB 4.21Å; F41-F95 VanDerWaalsContact CZ-N 3.29Å; F95-F98 PolarHBondContact O-N 3.18Å; F95-S99 WeakPolarHBondContact O-CB 3.47Å; F95-S99 PolarHBondContact O-N 3.47Å
96	E	92.3	Very high	90.9	Very high	129 Å²	129	33.7 Å²	33.7	60%	0.603	19%	0.186	S	C	*	.	H	α-helix	trans	-65.7	-44.1	176.6	-177.2	168.4	-176.2	0	0	111	S94 F98 S99 N100	S94-E96 PolarHBondContact O-N 3.22Å; S94-E96 PolarHBondContact OG-N 3.01Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-F98 PolarHBondContact O-N 3.2Å; E96-S99 PolarHBondContact O-N 3.17Å; E96-N100 VanDerWaalsContact O-CB 3.25Å; E96-N100 WeakPolarHBondContact O-CB 3.28Å; E96-N100 PolarHBondContact O-N 3.3Å; E96-N100 PolarHBondContact O-ND2 3.34Å; E96-N100 VanDerWaalsContact O-ND2 3.15Å
97	D	93.7	Very high	90.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-48.8	171.4	-66.6	-49.1	0	0	0	111.5	A85 C87 D88 I93 S94 S99 N100 Y101	A85-D97 WeakPolarHBondContact O-CB 3.22Å; C87-D97 WeakPolarHBondContact CA-OD1 3.33Å; C87-D97 WeakPolarHBondContact CB-OD1 3.48Å; C87-D97 PolarHBondContact N-OD1 2.89Å; D88-D97 PolarHBondContact N-OD1 3.33Å; I93-D97 HydrophobicContact CG2-CB 3.88Å; S94-D97 WeakPolarHBondContact CB-OD2 3.33Å; S94-D97 PolarHBondContact N-OD2 2.92Å; S94-D97 WeakPolarHBondContact O-CB 3.33Å; S94-D97 PolarHBondContact O-N 3.23Å; S94-D97 PolarHBondContact OG-N 3.39Å; S94-D97 VanDerWaalsContact OG-N 3.1Å; S94-D97 PolarHBondContact OG-OD2 2.89Å; D97-S99 VanDerWaalsContact C-N 3.33Å; D97-S99 PolarHBondContact O-N 2.82Å; D97-N100 PolarHBondContact O-N 2.98Å; D97-Y101 WeakPolarHBondContact O-CB 3.28Å; D97-Y101 PolarHBondContact O-N 2.89Å
98	F	94.2	Very high	89.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-40.7	-179	-170.2	-102.6	0	0	0	112.1	L37 I40 F41 M55 F60 F64 I93 S94 F95 E96 E102 Y663	L37-F98 HydrophobicContact CD1-CD1 4.1Å; L37-F98 HydrophobicContact CD1-CE1 3.49Å; L37-F98 VanDerWaalsContact CD1-CE1 3.49Å; L37-F98 HydrophobicContact CD1-CZ 4.39Å; L37-F98 HydrophobicContact CD2-CD1 4.22Å; L37-F98 HydrophobicContact CD2-CE1 4.44Å; L37-F98 HydrophobicContact CG-CD1 3.87Å; L37-F98 HydrophobicContact CG-CE1 3.69Å; I40-F98 HydrophobicContact CG2-CZ 4.39Å; F41-F98 HydrophobicContact CB-CD1 4.08Å; F41-F98 HydrophobicContact CB-CE1 4.24Å; F41-F98 HydrophobicContact CD2-CB 3.68Å; F41-F98 HydrophobicContact CD2-CD1 4.01Å; F41-F98 HydrophobicContact CD2-CD2 4.08Å; F41-F98 AromaticContact CD2-CG 3.68Å; F41-F98 HydrophobicContact CD2-CG 3.68Å; F41-F98 HydrophobicContact CE2-CB 4.02Å; F41-F98 HydrophobicContact CE2-CG 4.41Å; F41-F98 HydrophobicContact CG-CD1 4.48Å; M55-F98 HydrophobicContact CE-CD2 4.32Å; M55-F98 HydrophobicContact CE-CE2 4.22Å; F60-F98 HydrophobicContact CD2-CD2 4.31Å; F60-F98 HydrophobicContact CD2-CE2 4.26Å; F60-F98 HydrophobicContact CE2-CD2 4.04Å; F60-F98 HydrophobicContact CE2-CE2 4Å; F64-F98 AromaticContact CD1-CE2 3.99Å; F64-F98 HydrophobicContact CD1-CE2 3.99Å; F64-F98 AromaticContact CE1-CE2 3.56Å; F64-F98 HydrophobicContact CE1-CE2 3.56Å; F64-F98 AromaticContact CE1-CZ 3.82Å; F64-F98 HydrophobicContact CE1-CZ 3.82Å; F64-F98 HydrophobicContact CE2-CE2 4.35Å; F64-F98 AromaticContact CE2-CZ 3.95Å; F64-F98 HydrophobicContact CE2-CZ 3.95Å; F64-F98 AromaticContact CZ-CE2 3.76Å; F64-F98 HydrophobicContact CZ-CE2 3.76Å; F64-F98 AromaticContact CZ-CZ 3.49Å; F64-F98 HydrophobicContact CZ-CZ 3.49Å; F64-F98 VanDerWaalsContact CZ-CZ 3.49Å; I93-F98 HydrophobicContact CG2-CB 4.14Å; S94-F98 WeakPolarHBondContact O-CB 3.3Å; S94-F98 PolarHBondContact O-N 3.45Å; F95-F98 PolarHBondContact O-N 3.18Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-F98 PolarHBondContact O-N 3.2Å; F98-E102 PolarHBondContact O-N 3.33Å; F98-Y663 WeakPolarHBondContact CA-OH 3.23Å; F98-Y663 AromaticContact CD1-CE2 3.85Å; F98-Y663 HydrophobicContact CD1-CE2 3.85Å; F98-Y663 HydrophobicContact CD2-CE1 4.46Å; F98-Y663 AromaticContact CD2-CE2 3.96Å; F98-Y663 HydrophobicContact CD2-CE2 3.96Å; F98-Y663 AromaticContact CD2-CZ 3.59Å; F98-Y663 WeakPolarHBondContact CD2-OH 3.26Å; F98-Y663 HydrophobicContact CE1-CD2 4.17Å; F98-Y663 AromaticContact CE1-CE2 3.52Å; F98-Y663 HydrophobicContact CE1-CE2 3.52Å; F98-Y663 HydrophobicContact CE2-CD2 4.42Å; F98-Y663 HydrophobicContact CE2-CE1 4.04Å; F98-Y663 AromaticContact CE2-CE2 3.62Å; F98-Y663 HydrophobicContact CE2-CE2 3.62Å; F98-Y663 AromaticContact CE2-CZ 3.41Å; F98-Y663 VanDerWaalsContact CE2-CZ 3.41Å; F98-Y663 WeakPolarHBondContact CE2-OH 3.36Å; F98-Y663 HydrophobicContact CG-CE2 4.07Å; F98-Y663 WeakPolarHBondContact CG-OH 3.31Å; F98-Y663 AromaticContact CZ-CD2 3.92Å; F98-Y663 HydrophobicContact CZ-CD2 3.92Å; F98-Y663 HydrophobicContact CZ-CE1 4.47Å; F98-Y663 AromaticContact CZ-CE2 3.38Å; F98-Y663 HydrophobicContact CZ-CE2 3.38Å; F98-Y663 AromaticContact CZ-CZ 3.72Å; F98-Y663 WeakPolarHBondContact O-CE2 3.19Å; F98-Y663 PolarHBondContact O-OH 2.72Å
99	S	93.3	Very high	89.4	Confident	32 Å²	32	39.8 Å²	39.8	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-71.8	-40.5	176.1	-171.5	0	0	0	0	112.3	F95 E96 D97 Y101 E102 S103	F95-S99 WeakPolarHBondContact O-CB 3.47Å; F95-S99 PolarHBondContact O-N 3.47Å; E96-S99 PolarHBondContact O-N 3.17Å; D97-S99 VanDerWaalsContact C-N 3.33Å; D97-S99 PolarHBondContact O-N 2.82Å; S99-Y101 VanDerWaalsContact C-N 3.35Å; S99-E102 PolarHBondContact O-N 3.29Å; S99-S103 PolarHBondContact O-N 2.96Å; S99-S103 VanDerWaalsContact O-N 3.1Å; S99-S103 PolarHBondContact O-OG 3.17Å
100	N	91.6	Very high	89.1	Confident	67 Å²	67	38.7 Å²	38.7	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-41	178.2	-76.1	-27.8	0	0	0	111.2	E96 D97 S103 I104	E96-N100 VanDerWaalsContact O-CB 3.25Å; E96-N100 WeakPolarHBondContact O-CB 3.28Å; E96-N100 PolarHBondContact O-N 3.3Å; E96-N100 PolarHBondContact O-ND2 3.34Å; E96-N100 VanDerWaalsContact O-ND2 3.15Å; D97-N100 PolarHBondContact O-N 2.98Å; N100-S103 WeakPolarHBondContact O-CB 3.41Å; N100-S103 PolarHBondContact O-N 2.9Å; N100-I104 WeakPolarHBondContact O-CG1 3.45Å; N100-I104 PolarHBondContact O-N 2.96Å
101	Y	94.4	Very high	89	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-37.1	177.4	-170.6	-117.9	0	0	0	112.5	F60 A84 A85 D97 S99 S103 I104 L105 T114 Y663 F670	F60-Y101 AromaticContact CZ-CD1 3.97Å; F60-Y101 HydrophobicContact CZ-CD1 3.97Å; F60-Y101 HydrophobicContact CZ-CE1 4.07Å; A84-Y101 HydrophobicContact CB-CE2 3.86Å; A84-Y101 VanDerWaalsContact O-CD2 3.25Å; A84-Y101 WeakPolarHBondContact O-CD2 3.46Å; A85-Y101 HydrophobicContact CB-CD1 3.77Å; A85-Y101 HydrophobicContact CB-CD2 4.29Å; A85-Y101 HydrophobicContact CB-CE1 4.43Å; A85-Y101 HydrophobicContact CB-CG 3.69Å; D97-Y101 WeakPolarHBondContact O-CB 3.28Å; D97-Y101 PolarHBondContact O-N 2.89Å; S99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-S103 VanDerWaalsContact C-N 3.26Å; Y101-S103 PolarHBondContact O-N 3.35Å; Y101-I104 HydrophobicContact CD2-CB 4.3Å; Y101-I104 HydrophobicContact CD2-CD1 4.3Å; Y101-I104 HydrophobicContact CD2-CG2 4.45Å; Y101-I104 HydrophobicContact CE2-CG2 4.46Å; Y101-I104 WeakPolarHBondContact O-CB 3.44Å; Y101-I104 PolarHBondContact O-N 3.33Å; Y101-I104 VanDerWaalsContact O-N 3.13Å; Y101-L105 HydrophobicContact CD1-CD1 3.85Å; Y101-L105 HydrophobicContact CD1-CG 4.29Å; Y101-L105 HydrophobicContact CE1-CD1 3.59Å; Y101-L105 HydrophobicContact CE1-CD2 4.23Å; Y101-L105 HydrophobicContact CE1-CG 3.96Å; Y101-L105 HydrophobicContact CE2-CD2 4.5Å; Y101-L105 HydrophobicContact CE2-CG 4.4Å; Y101-L105 WeakPolarHBondContact O-CG 3.41Å; Y101-L105 PolarHBondContact O-N 3.46Å; Y101-T114 HydrophobicContact CE2-CG2 4.32Å; Y101-T114 WeakPolarHBondContact OH-CG2 3.47Å; Y101-T114 PolarHBondContact OH-OG1 3.11Å; Y101-Y663 AromaticContact CD1-CE1 3.74Å; Y101-Y663 HydrophobicContact CD1-CE1 3.74Å; Y101-Y663 HydrophobicContact CE1-CE1 4.22Å; Y101-F670 HydrophobicContact CE1-CE2 4.25Å; Y101-F670 HydrophobicContact CE1-CZ 4.49Å; Y101-F670 WeakPolarHBondContact OH-CE2 3.33Å; Y101-F670 WeakPolarHBondContact OH-CZ 3.4Å
102	E	91.4	Very high	89.1	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-42.5	170.2	-168.8	-82.7	167.7	0	0	111.5	P31 A32 L37 F98 S99 L105 C106 G661 G662 Y663	P31-E102 WeakPolarHBondContact CA-OE1 3.43Å; A32-E102 PolarHBondContact N-OE1 3.02Å; L37-E102 HydrophobicContact CD1-CG 4.33Å; L37-E102 HydrophobicContact CD2-CB 4.18Å; L37-E102 HydrophobicContact CD2-CG 4.26Å; F98-E102 PolarHBondContact O-N 3.33Å; S99-E102 PolarHBondContact O-N 3.29Å; E102-L105 CarbonylContact O-C 3.58Å; E102-L105 WeakPolarHBondContact O-CB 3.29Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-C106 PolarHBondContact O-N 2.99Å; E102-C106 VanDerWaalsContact O-N 3.16Å; E102-C106 PolarHBondContact O-SG 3.48Å; E102-G661 WeakPolarHBondContact OE1-CA 3.4Å; E102-G662 PolarHBondContact OE1-N 2.92Å; E102-Y663 HydrophobicContact CB-CD2 3.96Å; E102-Y663 HydrophobicContact CB-CE2 3.62Å; E102-Y663 HydrophobicContact CG-CD2 3.84Å; E102-Y663 HydrophobicContact CG-CE2 4.04Å
103	S	87.6	Confident	89.1	Confident	57 Å²	57	35.4 Å²	35.4	40%	0.399	18%	0.183	S	C	.	.	H	α-helix	trans	-66.8	-38.3	175.8	-67.5	0	0	0	0	112.1	S99 N100 Y101 L105 C106 R107	S99-S103 PolarHBondContact O-N 2.96Å; S99-S103 VanDerWaalsContact O-N 3.1Å; S99-S103 PolarHBondContact O-OG 3.17Å; N100-S103 WeakPolarHBondContact O-CB 3.41Å; N100-S103 PolarHBondContact O-N 2.9Å; Y101-S103 VanDerWaalsContact C-N 3.26Å; Y101-S103 PolarHBondContact O-N 3.35Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-C106 PolarHBondContact O-N 3.46Å; S103-C106 VanDerWaalsContact O-N 3.1Å; S103-R107 WeakPolarHBondContact O-CG 3.19Å
104	I	89.7	Confident	89.1	Confident	24 Å²	24	35.4 Å²	35.4	12%	0.123	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-48.8	171.9	-71.5	169	0	0	0	109.7	N100 Y101 C106 R107 A110 L113	N100-I104 WeakPolarHBondContact O-CG1 3.45Å; N100-I104 PolarHBondContact O-N 2.96Å; Y101-I104 HydrophobicContact CD2-CB 4.3Å; Y101-I104 HydrophobicContact CD2-CD1 4.3Å; Y101-I104 HydrophobicContact CD2-CG2 4.45Å; Y101-I104 HydrophobicContact CE2-CG2 4.46Å; Y101-I104 WeakPolarHBondContact O-CB 3.44Å; Y101-I104 PolarHBondContact O-N 3.33Å; Y101-I104 VanDerWaalsContact O-N 3.13Å; I104-C106 PolarHBondContact O-N 3.42Å; I104-R107 WeakPolarHBondContact O-CB 3.3Å; I104-R107 PolarHBondContact O-N 3.41Å; I104-A110 HydrophobicContact CG2-CB 4.2Å; I104-A110 WeakPolarHBondContact O-CB 3.29Å; I104-L113 HydrophobicContact CG2-CB 3.7Å; I104-L113 HydrophobicContact CG2-CD1 4.3Å
105	L	86.9	Confident	89.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.9	177	-67.7	171.3	0	0	0	114	W26 Y101 E102 S103 G662 Y663 A666 T669	W26-L105 WeakPolarHBondContact CH2-O 3.43Å; W26-L105 WeakPolarHBondContact CZ3-O 3.25Å; Y101-L105 HydrophobicContact CD1-CD1 3.85Å; Y101-L105 HydrophobicContact CD1-CG 4.29Å; Y101-L105 HydrophobicContact CE1-CD1 3.59Å; Y101-L105 HydrophobicContact CE1-CD2 4.23Å; Y101-L105 HydrophobicContact CE1-CG 3.96Å; Y101-L105 HydrophobicContact CE2-CD2 4.5Å; Y101-L105 HydrophobicContact CE2-CG 4.4Å; Y101-L105 WeakPolarHBondContact O-CG 3.41Å; Y101-L105 PolarHBondContact O-N 3.46Å; E102-L105 CarbonylContact O-C 3.58Å; E102-L105 WeakPolarHBondContact O-CB 3.29Å; E102-L105 PolarHBondContact O-N 3.29Å; S103-L105 VanDerWaalsContact C-N 3.34Å; L105-G662 WeakPolarHBondContact CB-O 3.35Å; L105-Y663 HydrophobicContact CD1-CD1 3.83Å; L105-Y663 HydrophobicContact CD1-CE1 4.06Å; L105-Y663 HydrophobicContact CD1-CG 4.39Å; L105-A666 HydrophobicContact CD1-CB 3.68Å; L105-A666 HydrophobicContact CD2-CB 4.43Å; L105-T669 HydrophobicContact CD2-CG2 4.09Å
106	C	82.2	Confident	89.1	Confident	21 Å²	21	32.2 Å²	32.2	14%	0.142	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.1	171.7	-65.7	0	0	0	0	113.6	W26 A29 E102 S103 I104 G662	W26-C106 VanDerWaalsContact CZ3-CA 3.5Å; W26-C106 WeakPolarHBondContact CZ3-O 3.44Å; A29-C106 HydrophobicContact CB-CB 4.26Å; E102-C106 PolarHBondContact O-N 2.99Å; E102-C106 VanDerWaalsContact O-N 3.16Å; E102-C106 PolarHBondContact O-SG 3.48Å; S103-C106 PolarHBondContact O-N 3.46Å; S103-C106 VanDerWaalsContact O-N 3.1Å; I104-C106 PolarHBondContact O-N 3.42Å; C106-G662 VanDerWaalsContact SG-CA 3.51Å
107	R	81.1	Confident	89.2	Confident	118 Å²	118	26.5 Å²	26.5	45%	0.445	14%	0.14	S	C	.	.	S	Bend	trans	-95	141.8	-178.6	-67.1	175.4	53.9	92.3	6.2	116.1	W26 S103 I104 D109 A110 L113	W26-R107 VanDerWaalsContact CD2-C 3.45Å; W26-R107 WeakPolarHBondContact CH2-O 3.26Å; W26-R107 WeakPolarHBondContact CZ2-O 3.43Å; W26-R107 WeakPolarHBondContact CZ3-O 3.49Å; S103-R107 WeakPolarHBondContact O-CG 3.19Å; I104-R107 WeakPolarHBondContact O-CB 3.3Å; I104-R107 PolarHBondContact O-N 3.41Å; R107-D109 IonicContact CZ-OD1 3.43Å; R107-D109 IonicContact NE-OD1 2.75Å; R107-D109 PolarHBondContact NE-OD1 2.93Å; R107-D109 VanDerWaalsContact NE-OD1 3.11Å; R107-D109 IonicContact NH2-OD1 2.84Å; R107-D109 PolarHBondContact NH2-OD1 3.2Å; R107-D109 IonicContact NH2-OD2 3.92Å; R107-D109 PolarHBondContact NH2-OD2 2.89Å; R107-D109 PolarHBondContact O-N 3.09Å; R107-A110 WeakPolarHBondContact O-CB 3.47Å; R107-A110 PolarHBondContact O-N 3.45Å; R107-L113 HydrophobicContact CB-CD1 4.3Å
108	P	74	Confident	89.2	Confident	87 Å²	87	26.5 Å²	26.5	57%	0.565	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-29.7	178.3	-31.1	35.8	0	0	0	118.3	W26	W26-P108 HydrophobicContact CB-CB 4.1Å; W26-P108 HydrophobicContact CB-CG 4.23Å; W26-P108 HydrophobicContact CG-CB 4.24Å; W26-P108 PolarHBondContact NE1-O 3.22Å; W26-P108 VanDerWaalsContact NE1-O 3.12Å
109	D	83.1	Confident	89.2	Confident	36 Å²	36	26.5 Å²	26.5	19%	0.193	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	18.9	-176.8	62	-25.1	0	0	0	113.3	R107 L111 Y112 L113 Y170	R107-D109 IonicContact CZ-OD1 3.43Å; R107-D109 IonicContact NE-OD1 2.75Å; R107-D109 PolarHBondContact NE-OD1 2.93Å; R107-D109 VanDerWaalsContact NE-OD1 3.11Å; R107-D109 IonicContact NH2-OD1 2.84Å; R107-D109 PolarHBondContact NH2-OD1 3.2Å; R107-D109 IonicContact NH2-OD2 3.92Å; R107-D109 PolarHBondContact NH2-OD2 2.89Å; R107-D109 PolarHBondContact O-N 3.09Å; D109-L111 PolarHBondContact O-N 2.99Å; D109-Y112 PolarHBondContact O-N 2.85Å; D109-L113 PolarHBondContact O-N 3.42Å; D109-L113 VanDerWaalsContact OD1-CD1 3.29Å; D109-L113 WeakPolarHBondContact OD1-CD1 3.25Å; D109-Y170 VanDerWaalsContact CB-OH 3.3Å; D109-Y170 WeakPolarHBondContact CB-OH 3.32Å; D109-Y170 WeakPolarHBondContact OD2-CE1 3.35Å; D109-Y170 PolarHBondContact OD2-OH 3.17Å
110	A	85.8	Confident	89.2	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-25.9	-174.1	0	0	0	0	0	114.1	W26 I104 R107 L113 T114	W26-A110 HydrophobicContact CH2-CB 3.07Å; W26-A110 HydrophobicContact CZ2-CB 3.21Å; W26-A110 HydrophobicContact CZ3-CB 4.17Å; I104-A110 HydrophobicContact CG2-CB 4.2Å; I104-A110 WeakPolarHBondContact O-CB 3.29Å; R107-A110 WeakPolarHBondContact O-CB 3.47Å; R107-A110 PolarHBondContact O-N 3.45Å; A110-L113 PolarHBondContact O-N 2.88Å; A110-T114 WeakPolarHBondContact O-CA 2.93Å; A110-T114 WeakPolarHBondContact O-CB 3Å; A110-T114 PolarHBondContact O-N 2.9Å; A110-T114 PolarHBondContact O-OG1 2.9Å
111	L	85.8	Confident	89.2	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-57.3	-51	172	-177.4	73.9	0	0	0	110.9	D109 A115 E672 V673 K676 F677	D109-L111 PolarHBondContact O-N 2.99Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.28Å; L111-A115 VanDerWaalsContact O-N 3.08Å; L111-E672 HydrophobicContact CD1-CB 3.32Å; L111-V673 HydrophobicContact CD1-CB 4.3Å; L111-V673 HydrophobicContact CD1-CG2 3.6Å; L111-V673 HydrophobicContact CG-CG2 4.36Å; L111-V673 WeakPolarHBondContact O-CG2 3.49Å; L111-K676 HydrophobicContact CD2-CB 4.21Å; L111-K676 HydrophobicContact CD2-CD 3.42Å; L111-K676 VanDerWaalsContact CD2-CD 3.42Å; L111-K676 HydrophobicContact CD2-CG 4.02Å; L111-F677 HydrophobicContact CD1-CE2 4.2Å; L111-F677 HydrophobicContact CD2-CE1 4.27Å; L111-F677 HydrophobicContact CD2-CE2 3.91Å; L111-F677 HydrophobicContact CD2-CZ 3.6Å; L111-F677 HydrophobicContact CG-CE2 3.56Å; L111-F677 HydrophobicContact CG-CZ 3.68Å
112	Y	91.4	Very high	88.9	Confident	63 Å²	63	28.3 Å²	28.3	25%	0.247	14%	0.143	C	C	.	.	H	α-helix	trans	-71	-37.8	178.7	-74.3	-79.8	0	0	0	111.7	D109 A115 F116 Y170 C174 F677	D109-Y112 PolarHBondContact O-N 2.85Å; Y112-A115 PolarHBondContact O-N 3.3Å; Y112-F116 WeakPolarHBondContact O-CB 3.39Å; Y112-F116 PolarHBondContact O-N 2.99Å; Y112-Y170 WeakPolarHBondContact CB-OH 3.36Å; Y112-C174 HydrophobicContact CD1-CB 3.94Å; Y112-C174 VanDerWaalsContact CD1-SG 3.55Å; Y112-C174 HydrophobicContact CE1-CB 4.19Å; Y112-F677 AromaticContact CD1-CE1 3.83Å; Y112-F677 HydrophobicContact CD1-CE1 3.83Å; Y112-F677 HydrophobicContact CD1-CE2 4.37Å; Y112-F677 AromaticContact CD1-CZ 3.4Å; Y112-F677 HydrophobicContact CD1-CZ 3.4Å; Y112-F677 HydrophobicContact CD2-CZ 4.23Å; Y112-F677 AromaticContact CE1-CE1 3.31Å; Y112-F677 HydrophobicContact CE1-CE1 3.31Å; Y112-F677 AromaticContact CE1-CZ 3.39Å; Y112-F677 HydrophobicContact CE1-CZ 3.39Å; Y112-F677 HydrophobicContact CE2-CE1 4.48Å; Y112-F677 HydrophobicContact CE2-CZ 4.23Å; Y112-F677 AromaticContact CG-CZ 3.84Å; Y112-F677 HydrophobicContact CG-CZ 3.84Å; Y112-F677 AromaticContact CZ-CE1 3.69Å; Y112-F677 AromaticContact CZ-CZ 3.83Å
113	L	92.4	Very high	88.7	Confident	25 Å²	25	34.1 Å²	34.1	13%	0.131	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-42.5	177.3	-71.1	166.1	0	0	0	112.5	I104 R107 D109 A110 A115 F116 E117 Y170	I104-L113 HydrophobicContact CG2-CB 3.7Å; I104-L113 HydrophobicContact CG2-CD1 4.3Å; R107-L113 HydrophobicContact CB-CD1 4.3Å; D109-L113 PolarHBondContact O-N 3.42Å; D109-L113 VanDerWaalsContact OD1-CD1 3.29Å; D109-L113 WeakPolarHBondContact OD1-CD1 3.25Å; A110-L113 PolarHBondContact O-N 2.88Å; L113-A115 VanDerWaalsContact C-N 3.35Å; L113-F116 PolarHBondContact O-N 3.05Å; L113-E117 WeakPolarHBondContact O-CG 3.34Å; L113-E117 PolarHBondContact O-N 3.05Å; L113-Y170 HydrophobicContact CD2-CD2 3.91Å; L113-Y170 HydrophobicContact CD2-CE1 4.27Å; L113-Y170 HydrophobicContact CD2-CE2 3.53Å; L113-Y170 HydrophobicContact CD2-CG 4.44Å; L113-Y170 HydrophobicContact CG-CE2 3.9Å
114	T	93.2	Very high	88.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-49	174.5	-62.8	0	0	0	0	109.4	A84 Y101 A110 F116 E117 M118 T669 F670 V673	A84-T114 HydrophobicContact CB-CG2 4Å; Y101-T114 HydrophobicContact CE2-CG2 4.32Å; Y101-T114 WeakPolarHBondContact OH-CG2 3.47Å; Y101-T114 PolarHBondContact OH-OG1 3.11Å; A110-T114 WeakPolarHBondContact O-CA 2.93Å; A110-T114 WeakPolarHBondContact O-CB 3Å; A110-T114 PolarHBondContact O-N 2.9Å; A110-T114 PolarHBondContact O-OG1 2.9Å; T114-F116 PolarHBondContact O-N 3.28Å; T114-E117 PolarHBondContact O-N 3.1Å; T114-M118 HydrophobicContact CG2-SD 4.21Å; T114-M118 VanDerWaalsContact O-CG 3.22Å; T114-M118 WeakPolarHBondContact O-CG 3.25Å; T114-M118 PolarHBondContact O-N 3.34Å; T114-T669 HydrophobicContact CG2-CG2 4.24Å; T114-F670 HydrophobicContact CG2-CD1 4.08Å; T114-F670 HydrophobicContact CG2-CE1 3.65Å; T114-F670 HydrophobicContact CG2-CZ 4.02Å; T114-V673 HydrophobicContact CG2-CG2 4.1Å
115	A	93.1	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-50.8	174.3	0	0	0	0	0	111.2	L111 Y112 L113 E117 M118 F119 F173 L177 V673 F677	L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.28Å; L111-A115 VanDerWaalsContact O-N 3.08Å; Y112-A115 PolarHBondContact O-N 3.3Å; L113-A115 VanDerWaalsContact C-N 3.35Å; A115-E117 VanDerWaalsContact C-N 3.32Å; A115-E117 PolarHBondContact O-N 2.88Å; A115-M118 WeakPolarHBondContact O-CB 3.31Å; A115-M118 PolarHBondContact O-N 3.15Å; A115-F119 VanDerWaalsContact O-CD2 3.25Å; A115-F119 WeakPolarHBondContact O-CD2 3.37Å; A115-F119 PolarHBondContact O-N 3.01Å; A115-F119 VanDerWaalsContact O-N 3.1Å; A115-F173 HydrophobicContact CB-CE1 4.35Å; A115-L177 HydrophobicContact CB-CD2 4.18Å; A115-V673 HydrophobicContact CB-CG1 4.12Å; A115-V673 HydrophobicContact CB-CG2 4.36Å; A115-F677 HydrophobicContact CB-CD2 3.98Å; A115-F677 HydrophobicContact CB-CE2 3.76Å
116	F	94.8	Very high	88.5	Confident	9 Å²	9	45.7 Å²	45.7	4%	0.039	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-43.9	180	-178.4	-99.8	0	0	0	112.7	Y112 L113 T114 F119 N120 A127 I129 Y170 F173	Y112-F116 WeakPolarHBondContact O-CB 3.39Å; Y112-F116 PolarHBondContact O-N 2.99Å; L113-F116 PolarHBondContact O-N 3.05Å; T114-F116 PolarHBondContact O-N 3.28Å; F116-F119 PolarHBondContact O-N 3.23Å; F116-N120 WeakPolarHBondContact O-CB 3.39Å; F116-N120 PolarHBondContact O-N 3.05Å; F116-A127 HydrophobicContact CE1-CB 3.69Å; F116-A127 HydrophobicContact CZ-CB 4Å; F116-I129 HydrophobicContact CD2-CD1 4.29Å; F116-I129 HydrophobicContact CD2-CG1 3.91Å; F116-I129 HydrophobicContact CE2-CD1 4.07Å; F116-I129 HydrophobicContact CE2-CG1 3.56Å; F116-I129 HydrophobicContact CZ-CD1 4.43Å; F116-I129 HydrophobicContact CZ-CG1 4.28Å; F116-Y170 HydrophobicContact CB-CD2 4.01Å; F116-Y170 HydrophobicContact CB-CE2 4.35Å; F116-Y170 HydrophobicContact CD1-CD2 4.28Å; F116-Y170 HydrophobicContact CD2-CD2 4.08Å; F116-Y170 VanDerWaalsContact CE2-CA 3.5Å; F116-Y170 AromaticContact CG-CD2 3.87Å; F116-Y170 HydrophobicContact CG-CD2 3.87Å; F116-F173 HydrophobicContact CB-CD1 4.02Å; F116-F173 HydrophobicContact CB-CE1 4.03Å; F116-F173 HydrophobicContact CD2-CB 3.77Å; F116-F173 AromaticContact CD2-CD1 3.58Å; F116-F173 HydrophobicContact CD2-CD1 3.58Å; F116-F173 HydrophobicContact CD2-CD2 4.4Å; F116-F173 HydrophobicContact CD2-CE1 4.29Å; F116-F173 AromaticContact CD2-CG 3.64Å; F116-F173 HydrophobicContact CD2-CG 3.64Å; F116-F173 HydrophobicContact CE2-CB 3.97Å; F116-F173 HydrophobicContact CE2-CG 4.27Å; F116-F173 HydrophobicContact CG-CD1 4.3Å
117	E	93.8	Very high	88.9	Confident	9 Å²	9	45 Å²	45	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-72.5	-27.3	177.9	-70	-65.3	168.6	0	0	113.2	K89 L113 T114 A115 F119 N120 R125	K89-E117 WeakPolarHBondContact CE-OE2 3.15Å; K89-E117 PolarHBondContact NZ-O 3.46Å; K89-E117 IonicContact NZ-OE2 3.46Å; K89-E117 PolarHBondContact NZ-OE2 3.34Å; L113-E117 WeakPolarHBondContact O-CG 3.34Å; L113-E117 PolarHBondContact O-N 3.05Å; T114-E117 PolarHBondContact O-N 3.1Å; A115-E117 VanDerWaalsContact C-N 3.32Å; A115-E117 PolarHBondContact O-N 2.88Å; E117-F119 VanDerWaalsContact C-N 3.32Å; E117-N120 PolarHBondContact O-N 3.48Å; E117-N120 PolarHBondContact OE2-ND2 3.41Å; E117-R125 IonicContact OE1-CZ 2.61Å; E117-R125 IonicContact OE1-NH1 3.54Å; E117-R125 PolarHBondContact OE1-NH1 3.47Å; E117-R125 IonicContact OE1-NH2 2.81Å; E117-R125 PolarHBondContact OE1-NH2 3.33Å; E117-R125 IonicContact OE2-NH2 3.94Å
118	M	93.7	Very high	89.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-38.3	169.1	-67.9	166.8	65.5	0	0	111.7	V80 R83 A84 T114 A115 L137 F670 V673 L681	V80-M118 HydrophobicContact CG1-CB 4.24Å; V80-M118 HydrophobicContact CG1-CE 3.78Å; R83-M118 PolarHBondContact NH1-O 2.88Å; A84-M118 HydrophobicContact CB-CG 3.8Å; T114-M118 HydrophobicContact CG2-SD 4.21Å; T114-M118 VanDerWaalsContact O-CG 3.22Å; T114-M118 WeakPolarHBondContact O-CG 3.25Å; T114-M118 PolarHBondContact O-N 3.34Å; A115-M118 WeakPolarHBondContact O-CB 3.31Å; A115-M118 PolarHBondContact O-N 3.15Å; M118-L137 HydrophobicContact CB-CD1 3.87Å; M118-L137 WeakPolarHBondContact O-CD1 3.43Å; M118-F670 HydrophobicContact CG-CE1 4.39Å; M118-F670 HydrophobicContact SD-CD1 4.17Å; M118-F670 HydrophobicContact SD-CE1 3.88Å; M118-V673 HydrophobicContact CE-CG1 4.36Å; M118-V673 HydrophobicContact SD-CG1 3.86Å; M118-L681 HydrophobicContact CE-CD1 4.12Å
119	F	94.3	Very high	90.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-75.8	-37.2	176.4	-80.9	-86.4	0	0	0	112.4	A115 F116 E117 R121 I129 D133 F134 L137 I138 F173 L679	A115-F119 VanDerWaalsContact O-CD2 3.25Å; A115-F119 WeakPolarHBondContact O-CD2 3.37Å; A115-F119 PolarHBondContact O-N 3.01Å; A115-F119 VanDerWaalsContact O-N 3.1Å; F116-F119 PolarHBondContact O-N 3.23Å; E117-F119 VanDerWaalsContact C-N 3.32Å; F119-R121 PolarHBondContact O-N 3.33Å; F119-I129 HydrophobicContact CB-CD1 3.72Å; F119-I129 HydrophobicContact CB-CG1 4.34Å; F119-I129 HydrophobicContact CB-CG2 4.45Å; F119-D133 WeakPolarHBondContact O-CB 3.47Å; F119-F134 HydrophobicContact CD1-CD2 4.12Å; F119-F134 AromaticContact CE1-CD2 3.55Å; F119-F134 HydrophobicContact CE1-CD2 3.55Å; F119-F134 HydrophobicContact CE1-CE2 4.12Å; F119-F134 HydrophobicContact CE1-CG 4.33Å; F119-F134 HydrophobicContact CZ-CD2 4.18Å; F119-F134 HydrophobicContact CZ-CE2 4.33Å; F119-L137 HydrophobicContact CB-CD1 4.43Å; F119-L137 HydrophobicContact CD1-CB 3.79Å; F119-L137 HydrophobicContact CD1-CD1 3.85Å; F119-L137 HydrophobicContact CD1-CG 4.25Å; F119-L137 HydrophobicContact CD2-CD1 3.77Å; F119-L137 HydrophobicContact CE1-CB 3.65Å; F119-L137 HydrophobicContact CE1-CD1 4.02Å; F119-L137 HydrophobicContact CE1-CD2 3.86Å; F119-L137 HydrophobicContact CE1-CG 4.03Å; F119-L137 HydrophobicContact CE2-CD1 3.91Å; F119-L137 HydrophobicContact CE2-CD2 3.93Å; F119-L137 HydrophobicContact CE2-CG 4.45Å; F119-L137 HydrophobicContact CG-CD1 3.75Å; F119-L137 HydrophobicContact CZ-CB 4.25Å; F119-L137 HydrophobicContact CZ-CD1 4.05Å; F119-L137 HydrophobicContact CZ-CD2 3.53Å; F119-L137 HydrophobicContact CZ-CG 4.14Å; F119-I138 HydrophobicContact CE1-CD1 4.22Å; F119-I138 HydrophobicContact CE1-CG1 3.96Å; F119-I138 HydrophobicContact CZ-CD1 3.84Å; F119-I138 HydrophobicContact CZ-CG1 4.12Å; F119-F173 HydrophobicContact CB-CE2 4.08Å; F119-F173 HydrophobicContact CB-CZ 4.36Å; F119-F173 HydrophobicContact CD1-CE2 4.2Å; F119-F173 HydrophobicContact CD2-CE1 4.42Å; F119-F173 AromaticContact CD2-CE2 3.55Å; F119-F173 HydrophobicContact CD2-CE2 3.55Å; F119-F173 AromaticContact CD2-CZ 3.26Å; F119-F173 HydrophobicContact CD2-CZ 3.26Å; F119-F173 AromaticContact CE2-CE2 3.96Å; F119-F173 HydrophobicContact CE2-CE2 3.96Å; F119-F173 AromaticContact CE2-CZ 3.61Å; F119-F173 HydrophobicContact CE2-CZ 3.61Å; F119-F173 AromaticContact CG-CE2 3.67Å; F119-F173 HydrophobicContact CG-CE2 3.67Å; F119-F173 AromaticContact CG-CZ 3.88Å; F119-F173 HydrophobicContact CG-CZ 3.88Å; F119-F173 HydrophobicContact CZ-CE2 4.41Å; F119-F173 HydrophobicContact CZ-CZ 4.44Å; F119-L679 HydrophobicContact CE2-CD1 3.74Å; F119-L679 HydrophobicContact CE2-CD2 4.26Å; F119-L679 HydrophobicContact CZ-CD1 4.31Å; F119-L679 HydrophobicContact CZ-CD2 3.98Å
120	N	93	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.			trans	-69	116.9	-174.5	177.6	36.7	0	0	0	112.6	R83 K89 F116 E117 S122 A127 I129	R83-N120 WeakPolarHBondContact CD-O 3.41Å; K89-N120 WeakPolarHBondContact CD-O 3.25Å; K89-N120 VanDerWaalsContact CE-ND2 3.35Å; K89-N120 WeakPolarHBondContact CE-ND2 3.29Å; K89-N120 WeakPolarHBondContact CE-O 3.37Å; F116-N120 WeakPolarHBondContact O-CB 3.39Å; F116-N120 PolarHBondContact O-N 3.05Å; E117-N120 PolarHBondContact O-N 3.48Å; E117-N120 PolarHBondContact OE2-ND2 3.41Å; N120-S122 PolarHBondContact ND2-O 3.5Å; N120-S122 PolarHBondContact OD1-N 3.3Å; N120-S122 PolarHBondContact OD1-O 3.03Å; N120-A127 VanDerWaalsContact ND2-CB 3.34Å; N120-A127 WeakPolarHBondContact ND2-CB 3.38Å; N120-I129 VanDerWaalsContact CA-CD1 3.41Å; N120-I129 HydrophobicContact CB-CD1 3.69Å; N120-I129 VanDerWaalsContact N-CD1 3.34Å
121	R	90.9	Very high	91.4	Very high	100 Å²	100	41.3 Å²	41.3	38%	0.377	19%	0.194	S	C	.	.			trans	-103.3	-8.2	171.5	-62.1	-177.5	173.5	175.8	2.2	114.1	F119 D133 D136	F119-R121 PolarHBondContact O-N 3.33Å; R121-D133 WeakPolarHBondContact CB-OD1 3.44Å; R121-D133 WeakPolarHBondContact CD-OD1 3.31Å; R121-D133 WeakPolarHBondContact CG-OD1 3.37Å; R121-D136 IonicContact CZ-OD2 2.67Å; R121-D136 VanDerWaalsContact CZ-OD2 3.23Å; R121-D136 IonicContact NH1-OD2 3.51Å; R121-D136 PolarHBondContact NH1-OD2 2.97Å; R121-D136 IonicContact NH2-OD2 3.25Å; R121-D136 PolarHBondContact NH2-OD2 3.44Å; R121-D136 VanDerWaalsContact NH2-OD2 3.09Å
122	S	88.5	Confident	91.7	Very high	37 Å²	37	45.3 Å²	45.3	26%	0.259	21%	0.213	S	C	.	.			trans	-84.9	137.8	-175.6	-170.2	0	0	0	0	111.9	N120 T124	N120-S122 PolarHBondContact ND2-O 3.5Å; N120-S122 PolarHBondContact OD1-N 3.3Å; N120-S122 PolarHBondContact OD1-O 3.03Å; S122-T124 VanDerWaalsContact C-N 3.26Å; S122-T124 PolarHBondContact OG-N 3.01Å; S122-T124 VanDerWaalsContact OG-N 3.15Å; S122-T124 PolarHBondContact OG-OG1 3.22Å
123	K	86.6	Confident	91.8	Very high	126 Å²	126	43.1 Å²	43.1	55%	0.548	21%	0.206	S	C	.	.			trans	-74.5	-17.4	169.2	-55.1	-172.7	178.6	-100.3	0	112.7	D88 K89 R125	D88-K123 WeakPolarHBondContact O-CD 3.23Å; D88-K123 WeakPolarHBondContact O-CE 3.17Å; D88-K123 VanDerWaalsContact O-CG 3.29Å; D88-K123 WeakPolarHBondContact O-CG 3.44Å; D88-K123 PolarHBondContact O-NZ 2.89Å; K89-K123 HydrophobicContact CB-CG 4.1Å; K89-K123 WeakPolarHBondContact O-CE 3.4Å; K89-K123 PolarHBondContact O-NZ 3.32Å; K89-K123 VanDerWaalsContact O-NZ 3.08Å; K123-R125 PolarHBondContact O-N 2.89Å
124	T	86.6	Confident	91.8	Very high	94 Å²	94	42 Å²	42	58%	0.577	20%	0.199	S	C	*	.	S	Bend	trans	-74.8	128.2	-175.1	62.2	0	0	0	0	110.9	S122 P126	S122-T124 VanDerWaalsContact C-N 3.26Å; S122-T124 PolarHBondContact OG-N 3.01Å; S122-T124 VanDerWaalsContact OG-N 3.15Å; S122-T124 PolarHBondContact OG-OG1 3.22Å; T124-P126 CarbonylContact O-C 3.59Å
125	R	86.3	Confident	91.6	Very high	134 Å²	134	44.9 Å²	44.9	51%	0.506	21%	0.212	S	C	.	.	S	Bend	trans	-102.4	141.1	171.9	-65.1	-69.7	-173.8	173.5	-5	110.9	E117 K123	E117-R125 IonicContact OE1-CZ 2.61Å; E117-R125 IonicContact OE1-NH1 3.54Å; E117-R125 PolarHBondContact OE1-NH1 3.47Å; E117-R125 IonicContact OE1-NH2 2.81Å; E117-R125 PolarHBondContact OE1-NH2 3.33Å; E117-R125 IonicContact OE2-NH2 3.94Å; K123-R125 PolarHBondContact O-N 2.89Å
126	P	87.9	Confident	91.4	Very high	96 Å²	96	47.6 Å²	47.6	62%	0.623	23%	0.227	S	C	*	.	S	Bend	cis	-67.9	140.5	-2.7	30.1	-34.7	0	0	0	111.2	T124	T124-P126 CarbonylContact O-C 3.59Å
127	A	90.5	Very high	91.2	Very high	7 Å²	7	47.2 Å²	47.2	6%	0.058	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-61.4	139.2	-179.9	0	0	0	0	0	110.2	F116 N120	F116-A127 HydrophobicContact CE1-CB 3.69Å; F116-A127 HydrophobicContact CZ-CB 4Å; N120-A127 VanDerWaalsContact ND2-CB 3.34Å; N120-A127 WeakPolarHBondContact ND2-CB 3.38Å
128	R	94	Very high	90.9	Very high	145 Å²	145	46.8 Å²	46.8	55%	0.547	22%	0.223	S	C	.	.			trans	-140.1	130.8	177	-58	-172.6	168.6	165	-4.6	110.6	R167 L168	R128-R167 HydrophobicContact CB-CB 3.71Å; R128-R167 HydrophobicContact CG-CB 4.49Å; R128-L168 CarbonylContact C-O 3.58Å; R128-L168 VanDerWaalsContact CA-O 3.27Å; R128-L168 WeakPolarHBondContact CA-O 3.4Å
129	I	94.9	Very high	90.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-82.5	125.1	-178.1	-56.9	-53	0	0	0	110	F116 F119 N120 D133 F134 R167 L168 F173	F116-I129 HydrophobicContact CD2-CD1 4.29Å; F116-I129 HydrophobicContact CD2-CG1 3.91Å; F116-I129 HydrophobicContact CE2-CD1 4.07Å; F116-I129 HydrophobicContact CE2-CG1 3.56Å; F116-I129 HydrophobicContact CZ-CD1 4.43Å; F116-I129 HydrophobicContact CZ-CG1 4.28Å; F119-I129 HydrophobicContact CB-CD1 3.72Å; F119-I129 HydrophobicContact CB-CG1 4.34Å; F119-I129 HydrophobicContact CB-CG2 4.45Å; N120-I129 VanDerWaalsContact CA-CD1 3.41Å; N120-I129 HydrophobicContact CB-CD1 3.69Å; N120-I129 VanDerWaalsContact N-CD1 3.34Å; I129-D133 HydrophobicContact CG2-CB 3.97Å; I129-F134 HydrophobicContact CG2-CB 4.25Å; I129-R167 CarbonylContact O-C 3.59Å; I129-R167 WeakPolarHBondContact O-CA 3.48Å; I129-L168 PolarHBondContact N-O 3.48Å; I129-L168 PolarHBondContact O-N 3.35Å; I129-F173 HydrophobicContact CB-CD2 4.39Å; I129-F173 HydrophobicContact CG1-CD2 3.9Å; I129-F173 HydrophobicContact CG1-CG 4.36Å; I129-F173 HydrophobicContact CG2-CD2 4.31Å
130	S	94.7	Very high	90	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.063	24%	0.244	C	C	.	.			trans	-85.5	167.7	170.5	67.7	0	0	0	0	112.6	E132 D133 F134 F160 R167	S130-E132 WeakPolarHBondContact CB-OE2 3.28Å; S130-E132 PolarHBondContact O-N 2.88Å; S130-E132 PolarHBondContact OG-OE2 3.09Å; S130-D133 WeakPolarHBondContact CB-OD2 3.37Å; S130-D133 PolarHBondContact N-OD2 2.95Å; S130-D133 PolarHBondContact O-N 2.87Å; S130-D133 PolarHBondContact OG-N 3.19Å; S130-D133 VanDerWaalsContact OG-N 3.09Å; S130-D133 PolarHBondContact OG-OD2 3.45Å; S130-F134 PolarHBondContact O-N 3.34Å; S130-F134 VanDerWaalsContact O-N 3.11Å; S130-F160 VanDerWaalsContact C-CE1 3.49Å; S130-R167 VanDerWaalsContact CB-CZ 3.43Å; S130-R167 VanDerWaalsContact CB-NE 3.34Å
131	F	93.5	Very high	89.5	Confident	10 Å²	10	50.4 Å²	50.4	4%	0.044	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-40.6	171.6	168.2	-101.3	0	0	0	110.8	F134 F135 V151 I156 F160 R164	F131-F134 PolarHBondContact O-N 2.91Å; F131-F135 HydrophobicContact CE1-CB 4.19Å; F131-F135 HydrophobicContact CE1-CG 4.44Å; F131-F135 HydrophobicContact CE2-CB 4.27Å; F131-F135 HydrophobicContact CZ-CB 3.95Å; F131-F135 HydrophobicContact CZ-CD2 4.03Å; F131-F135 HydrophobicContact CZ-CG 4.08Å; F131-F135 VanDerWaalsContact O-CB 3.25Å; F131-F135 WeakPolarHBondContact O-CB 3.38Å; F131-F135 PolarHBondContact O-N 3.34Å; F131-V151 HydrophobicContact CE1-CG1 4.35Å; F131-V151 HydrophobicContact CE2-CG1 4.44Å; F131-V151 HydrophobicContact CZ-CG1 3.63Å; F131-V151 HydrophobicContact CZ-CG2 4.44Å; F131-I156 HydrophobicContact CD2-CG2 3.63Å; F131-I156 HydrophobicContact CE2-CD1 4.3Å; F131-I156 HydrophobicContact CE2-CG1 4.49Å; F131-I156 HydrophobicContact CE2-CG2 3.5Å; F131-F160 HydrophobicContact CB-CB 4.13Å; F131-F160 HydrophobicContact CB-CD1 3.81Å; F131-F160 HydrophobicContact CB-CD2 4.32Å; F131-F160 HydrophobicContact CB-CE1 4.29Å; F131-F160 HydrophobicContact CB-CG 3.81Å; F131-F160 AromaticContact CD2-CD2 3.97Å; F131-F160 HydrophobicContact CD2-CD2 3.97Å; F131-F160 HydrophobicContact CD2-CE2 4.36Å; F131-F160 HydrophobicContact CD2-CG 4.25Å; F131-R164 HydrophobicContact CB-CB 4.17Å; F131-R164 HydrophobicContact CG-CB 4.42Å; F131-R164 HydrophobicContact CG-CG 4.42Å
132	E	92	Very high	88.7	Confident	86 Å²	86	48.5 Å²	48.5	40%	0.402	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-45.1	179.2	-64	71.6	-151.5	0	0	111.3	S130 F134 F135 D136 R167	S130-E132 WeakPolarHBondContact CB-OE2 3.28Å; S130-E132 PolarHBondContact O-N 2.88Å; S130-E132 PolarHBondContact OG-OE2 3.09Å; E132-F134 VanDerWaalsContact C-N 3.32Å; E132-F134 PolarHBondContact O-N 3.36Å; E132-F135 PolarHBondContact O-N 3.35Å; E132-D136 WeakPolarHBondContact O-CB 3.38Å; E132-D136 VanDerWaalsContact O-CG 3.25Å; E132-D136 PolarHBondContact O-N 2.92Å; E132-R167 IonicContact OE2-NH2 2.89Å
133	D	93.2	Very high	87.6	Confident	18 Å²	18	47.5 Å²	47.5	10%	0.096	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-45.9	175.8	-66	-38.5	0	0	0	111.7	F119 R121 I129 S130 L137	F119-D133 WeakPolarHBondContact O-CB 3.47Å; R121-D133 WeakPolarHBondContact CB-OD1 3.44Å; R121-D133 WeakPolarHBondContact CD-OD1 3.31Å; R121-D133 WeakPolarHBondContact CG-OD1 3.37Å; I129-D133 HydrophobicContact CG2-CB 3.97Å; S130-D133 WeakPolarHBondContact CB-OD2 3.37Å; S130-D133 PolarHBondContact N-OD2 2.95Å; S130-D133 PolarHBondContact O-N 2.87Å; S130-D133 PolarHBondContact OG-N 3.19Å; S130-D133 VanDerWaalsContact OG-N 3.09Å; S130-D133 PolarHBondContact OG-OD2 3.45Å; D133-L137 PolarHBondContact O-N 3.29Å
134	F	92	Very high	86.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-52.5	177.4	-179	-103.5	0	0	0	111.9	F119 I129 S130 F131 E132 D136 L137 I138 L149 I156 F160 L176 F180	F119-F134 HydrophobicContact CD1-CD2 4.12Å; F119-F134 AromaticContact CE1-CD2 3.55Å; F119-F134 HydrophobicContact CE1-CD2 3.55Å; F119-F134 HydrophobicContact CE1-CE2 4.12Å; F119-F134 HydrophobicContact CE1-CG 4.33Å; F119-F134 HydrophobicContact CZ-CD2 4.18Å; F119-F134 HydrophobicContact CZ-CE2 4.33Å; I129-F134 HydrophobicContact CG2-CB 4.25Å; S130-F134 PolarHBondContact O-N 3.34Å; S130-F134 VanDerWaalsContact O-N 3.11Å; F131-F134 PolarHBondContact O-N 2.91Å; E132-F134 VanDerWaalsContact C-N 3.32Å; E132-F134 PolarHBondContact O-N 3.36Å; F134-D136 VanDerWaalsContact C-N 3.32Å; F134-D136 PolarHBondContact O-N 3.45Å; F134-L137 PolarHBondContact O-N 3.21Å; F134-I138 HydrophobicContact CD1-CG1 4.29Å; F134-I138 HydrophobicContact CD2-CG1 4.04Å; F134-I138 HydrophobicContact CE1-CG1 3.96Å; F134-I138 HydrophobicContact CE2-CD1 4.06Å; F134-I138 HydrophobicContact CE2-CG1 3.68Å; F134-I138 HydrophobicContact CG-CG1 4.34Å; F134-I138 HydrophobicContact CZ-CD1 4.15Å; F134-I138 HydrophobicContact CZ-CG1 3.65Å; F134-I138 VanDerWaalsContact O-CB 3.31Å; F134-I138 WeakPolarHBondContact O-CB 3.37Å; F134-I138 VanDerWaalsContact O-CG1 3.23Å; F134-I138 WeakPolarHBondContact O-CG1 3.31Å; F134-I138 PolarHBondContact O-N 3.45Å; F134-L149 HydrophobicContact CE1-CD2 4.44Å; F134-I156 HydrophobicContact CE1-CD1 4.28Å; F134-F160 HydrophobicContact CB-CE2 4.34Å; F134-F160 HydrophobicContact CB-CZ 3.81Å; F134-F160 HydrophobicContact CD1-CE2 4.12Å; F134-F160 HydrophobicContact CD1-CZ 4.4Å; F134-F160 HydrophobicContact CG-CE2 4.3Å; F134-F160 HydrophobicContact CG-CZ 4.12Å; F134-L176 HydrophobicContact CD2-CD2 3.61Å; F134-L176 HydrophobicContact CE2-CD2 3.68Å; F134-L176 HydrophobicContact CE2-CG 4.11Å; F134-L176 HydrophobicContact CG-CD2 4.07Å; F134-L176 HydrophobicContact CZ-CD2 4.19Å; F134-L176 HydrophobicContact CZ-CG 4.37Å; F134-F180 HydrophobicContact CE1-CD2 4.02Å; F134-F180 AromaticContact CE1-CE2 3.97Å; F134-F180 HydrophobicContact CE1-CE2 3.97Å; F134-F180 HydrophobicContact CZ-CB 4.36Å; F134-F180 HydrophobicContact CZ-CD1 4.36Å; F134-F180 AromaticContact CZ-CD2 3.54Å; F134-F180 HydrophobicContact CZ-CD2 3.54Å; F134-F180 AromaticContact CZ-CE2 3.78Å; F134-F180 HydrophobicContact CZ-CE2 3.78Å; F134-F180 AromaticContact CZ-CG 3.83Å; F134-F180 HydrophobicContact CZ-CG 3.83Å; F134-F180 HydrophobicContact CZ-CZ 4.31Å
135	F	89.9	Confident	85.8	Confident	61 Å²	61	41.2 Å²	41.2	27%	0.268	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-41.4	-176	-178	-100.7	0	0	0	112.1	F131 E132 S139 L149 V151	F131-F135 HydrophobicContact CE1-CB 4.19Å; F131-F135 HydrophobicContact CE1-CG 4.44Å; F131-F135 HydrophobicContact CE2-CB 4.27Å; F131-F135 HydrophobicContact CZ-CB 3.95Å; F131-F135 HydrophobicContact CZ-CD2 4.03Å; F131-F135 HydrophobicContact CZ-CG 4.08Å; F131-F135 VanDerWaalsContact O-CB 3.25Å; F131-F135 WeakPolarHBondContact O-CB 3.38Å; F131-F135 PolarHBondContact O-N 3.34Å; E132-F135 PolarHBondContact O-N 3.35Å; F135-S139 WeakPolarHBondContact CE1-OG 3.5Å; F135-S139 WeakPolarHBondContact O-CB 3.49Å; F135-S139 PolarHBondContact O-N 2.68Å; F135-S139 PolarHBondContact O-OG 3.23Å; F135-L149 HydrophobicContact CD2-CD2 4.14Å; F135-L149 HydrophobicContact CE2-CB 4.41Å; F135-V151 HydrophobicContact CD2-CG2 3.82Å; F135-V151 HydrophobicContact CE2-CG2 3.25Å; F135-V151 HydrophobicContact CZ-CG2 3.97Å
136	D	88.5	Confident	84.9	Confident	57 Å²	57	42 Å²	42	31%	0.305	20%	0.203	S	C	.	.	H	α-helix	trans	-68.2	-44.3	-176	-75.8	-2.9	0	0	0	112.5	R121 E132 F134 S139 L140	R121-D136 IonicContact CZ-OD2 2.67Å; R121-D136 VanDerWaalsContact CZ-OD2 3.23Å; R121-D136 IonicContact NH1-OD2 3.51Å; R121-D136 PolarHBondContact NH1-OD2 2.97Å; R121-D136 IonicContact NH2-OD2 3.25Å; R121-D136 PolarHBondContact NH2-OD2 3.44Å; R121-D136 VanDerWaalsContact NH2-OD2 3.09Å; E132-D136 WeakPolarHBondContact O-CB 3.38Å; E132-D136 VanDerWaalsContact O-CG 3.25Å; E132-D136 PolarHBondContact O-N 2.92Å; F134-D136 VanDerWaalsContact C-N 3.32Å; F134-D136 PolarHBondContact O-N 3.45Å; D136-S139 PolarHBondContact O-N 3.38Å; D136-L140 PolarHBondContact O-N 3.01Å
137	L	89.7	Confident	84.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-44.7	178.1	-171.8	162	0	0	0	110.6	V80 M118 F119 D133 F134 S139 L140 T141 L679	V80-L137 HydrophobicContact CG1-CD1 3.67Å; V80-L137 HydrophobicContact CG1-CG 3.96Å; M118-L137 HydrophobicContact CB-CD1 3.87Å; M118-L137 WeakPolarHBondContact O-CD1 3.43Å; F119-L137 HydrophobicContact CB-CD1 4.43Å; F119-L137 HydrophobicContact CD1-CB 3.79Å; F119-L137 HydrophobicContact CD1-CD1 3.85Å; F119-L137 HydrophobicContact CD1-CG 4.25Å; F119-L137 HydrophobicContact CD2-CD1 3.77Å; F119-L137 HydrophobicContact CE1-CB 3.65Å; F119-L137 HydrophobicContact CE1-CD1 4.02Å; F119-L137 HydrophobicContact CE1-CD2 3.86Å; F119-L137 HydrophobicContact CE1-CG 4.03Å; F119-L137 HydrophobicContact CE2-CD1 3.91Å; F119-L137 HydrophobicContact CE2-CD2 3.93Å; F119-L137 HydrophobicContact CE2-CG 4.45Å; F119-L137 HydrophobicContact CG-CD1 3.75Å; F119-L137 HydrophobicContact CZ-CB 4.25Å; F119-L137 HydrophobicContact CZ-CD1 4.05Å; F119-L137 HydrophobicContact CZ-CD2 3.53Å; F119-L137 HydrophobicContact CZ-CG 4.14Å; D133-L137 PolarHBondContact O-N 3.29Å; F134-L137 PolarHBondContact O-N 3.21Å; L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 3.07Å; L137-L140 WeakPolarHBondContact O-CB 3.49Å; L137-L140 PolarHBondContact O-N 3.48Å; L137-T141 HydrophobicContact CD2-CG2 4.46Å; L137-L679 HydrophobicContact CD2-CD2 4.05Å
138	I	88	Confident	83.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-40.7	177.6	-71.3	-58.8	0	0	0	110.8	F119 F134 L140 T141 I144 F180 L679	F119-I138 HydrophobicContact CE1-CD1 4.22Å; F119-I138 HydrophobicContact CE1-CG1 3.96Å; F119-I138 HydrophobicContact CZ-CD1 3.84Å; F119-I138 HydrophobicContact CZ-CG1 4.12Å; F134-I138 HydrophobicContact CD1-CG1 4.29Å; F134-I138 HydrophobicContact CD2-CG1 4.04Å; F134-I138 HydrophobicContact CE1-CG1 3.96Å; F134-I138 HydrophobicContact CE2-CD1 4.06Å; F134-I138 HydrophobicContact CE2-CG1 3.68Å; F134-I138 HydrophobicContact CG-CG1 4.34Å; F134-I138 HydrophobicContact CZ-CD1 4.15Å; F134-I138 HydrophobicContact CZ-CG1 3.65Å; F134-I138 VanDerWaalsContact O-CB 3.31Å; F134-I138 WeakPolarHBondContact O-CB 3.37Å; F134-I138 VanDerWaalsContact O-CG1 3.23Å; F134-I138 WeakPolarHBondContact O-CG1 3.31Å; F134-I138 PolarHBondContact O-N 3.45Å; I138-L140 PolarHBondContact O-N 3.06Å; I138-T141 WeakPolarHBondContact O-CB 3.26Å; I138-T141 PolarHBondContact O-N 2.82Å; I138-T141 PolarHBondContact O-OG1 2.73Å; I138-I144 HydrophobicContact CG2-CD1 3.63Å; I138-I144 HydrophobicContact CG2-CG1 3.51Å; I138-I144 VanDerWaalsContact O-CB 3.31Å; I138-I144 WeakPolarHBondContact O-CB 3.34Å; I138-I144 VanDerWaalsContact O-CG1 3.3Å; I138-I144 WeakPolarHBondContact O-CG1 3.18Å; I138-F180 HydrophobicContact CD1-CD1 4.3Å; I138-F180 HydrophobicContact CD1-CE1 3.77Å; I138-F180 HydrophobicContact CD1-CZ 4.13Å; I138-F180 HydrophobicContact CG1-CE1 4.43Å; I138-F180 HydrophobicContact CG1-CZ 4.3Å; I138-F180 HydrophobicContact CG2-CE1 4.15Å; I138-F180 HydrophobicContact CG2-CE2 4.29Å; I138-F180 HydrophobicContact CG2-CZ 3.51Å; I138-L679 HydrophobicContact CD1-CD2 3.59Å
139	S	85.9	Confident	82.2	Confident	39 Å²	39	39 Å²	39	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-58.2	-25.5	175	-66.5	0	0	0	0	114.3	F135 D136 L137	F135-S139 WeakPolarHBondContact CE1-OG 3.5Å; F135-S139 WeakPolarHBondContact O-CB 3.49Å; F135-S139 PolarHBondContact O-N 2.68Å; F135-S139 PolarHBondContact O-OG 3.23Å; D136-S139 PolarHBondContact O-N 3.38Å; L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 3.07Å
140	L	84.3	Confident	81.5	Confident	35 Å²	35	41.3 Å²	41.3	18%	0.183	21%	0.207	C	C	.	.	H	α-helix	trans	-79.6	-17.3	174.8	-64.4	171	0	0	0	113	A76 V80 D136 L137 I138 L681 P682	A76-L140 HydrophobicContact CB-CD1 4.44Å; A76-L140 HydrophobicContact CB-CD2 4.27Å; V80-L140 HydrophobicContact CG2-CD1 3.65Å; D136-L140 PolarHBondContact O-N 3.01Å; L137-L140 WeakPolarHBondContact O-CB 3.49Å; L137-L140 PolarHBondContact O-N 3.48Å; I138-L140 PolarHBondContact O-N 3.06Å; L140-L681 HydrophobicContact CB-CD2 4.22Å; L140-P682 WeakPolarHBondContact O-CD 3.5Å
141	T	82.6	Confident	80.6	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.025	21%	0.214	C	C	.	.	S	Bend	trans	-72.6	143.8	-176	67.1	0	0	0	0	112	L137 I138 S143 I144 Q145 L679 L680 L681	L137-T141 HydrophobicContact CD2-CG2 4.46Å; I138-T141 WeakPolarHBondContact O-CB 3.26Å; I138-T141 PolarHBondContact O-N 2.82Å; I138-T141 PolarHBondContact O-OG1 2.73Å; T141-S143 PolarHBondContact O-N 2.82Å; T141-I144 PolarHBondContact O-N 2.98Å; T141-I144 VanDerWaalsContact O-N 3.07Å; T141-I144 VanDerWaalsContact OG1-CG1 3.25Å; T141-I144 WeakPolarHBondContact OG1-CG1 3.36Å; T141-Q145 PolarHBondContact O-N 3.33Å; T141-L679 HydrophobicContact CG2-CB 4.49Å; T141-L679 HydrophobicContact CG2-CD2 4.09Å; T141-L680 CarbonylContact C-O 3.29Å; T141-L680 WeakPolarHBondContact CA-O 3.43Å; T141-L681 HydrophobicContact CG2-CD2 4.48Å
142	Q	72.8	Confident	79.9	Confident	60 Å²	60	50 Å²	50	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-58.2	-33.5	-178	-66.9	-178.6	17.3	0	0	113.2	I144 R146 L680 L681 P682	Q142-I144 VanDerWaalsContact C-N 3.33Å; Q142-R146 WeakPolarHBondContact O-CG 3.45Å; Q142-R146 PolarHBondContact O-N 2.59Å; Q142-L680 HydrophobicContact CB-CB 4.46Å; Q142-L680 PolarHBondContact N-O 3.05Å; Q142-L681 PolarHBondContact NE2-O 3.27Å; Q142-P682 HydrophobicContact CG-CB 4.38Å
143	S	65.9	Low	79.4	Confident	15 Å²	15	46.2 Å²	46.2	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-40.9	178.6	-167.1	0	0	0	0	111.2	T141 R146 E147 N211	T141-S143 PolarHBondContact O-N 2.82Å; S143-R146 PolarHBondContact O-N 3.49Å; S143-E147 PolarHBondContact O-N 3.21Å; S143-N211 PolarHBondContact OG-O 3.3Å
144	I	68.3	Low	79.2	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-79.4	-35.3	-178.3	-62.6	-76.8	0	0	0	112.3	I138 T141 Q142 R146 E147 L149 F180	I138-I144 HydrophobicContact CG2-CD1 3.63Å; I138-I144 HydrophobicContact CG2-CG1 3.51Å; I138-I144 VanDerWaalsContact O-CB 3.31Å; I138-I144 WeakPolarHBondContact O-CB 3.34Å; I138-I144 VanDerWaalsContact O-CG1 3.3Å; I138-I144 WeakPolarHBondContact O-CG1 3.18Å; T141-I144 PolarHBondContact O-N 2.98Å; T141-I144 VanDerWaalsContact O-N 3.07Å; T141-I144 VanDerWaalsContact OG1-CG1 3.25Å; T141-I144 WeakPolarHBondContact OG1-CG1 3.36Å; Q142-I144 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 3.23Å; I144-E147 WeakPolarHBondContact CA-O 3.31Å; I144-E147 CarbonylContact O-C 3.56Å; I144-E147 PolarHBondContact O-N 2.95Å; I144-E147 VanDerWaalsContact O-N 3.12Å; I144-E147 VanDerWaalsContact O-O 3.12Å; I144-L149 HydrophobicContact CD1-CB 4.1Å; I144-F180 HydrophobicContact CD1-CZ 4.18Å
145	Q	66.2	Low	79.1	Confident	80 Å²	80	51.4 Å²	51.4	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-58.5	-30.8	172.2	-73.2	-172.9	-24.8	0	0	112	T141	T141-Q145 PolarHBondContact O-N 3.33Å
146	R	68.8	Low	79.1	Confident	150 Å²	150	48.5 Å²	48.5	57%	0.566	25%	0.246	S	C	*	.	H	α-helix	trans	-77.1	-39	174.3	-68.9	176.6	-174.8	-175.8	5.6	112.4	Q142 S143 I144 N211	Q142-R146 WeakPolarHBondContact O-CG 3.45Å; Q142-R146 PolarHBondContact O-N 2.59Å; S143-R146 PolarHBondContact O-N 3.49Å; I144-R146 PolarHBondContact O-N 3.23Å; R146-N211 PolarHBondContact NH1-OD1 3Å
147	E	71.1	Confident	79.3	Confident	70 Å²	70	47.8 Å²	47.8	33%	0.327	24%	0.242	S	C	.	.	S	Bend	trans	-144.7	110.9	179.9	-81.6	-68.8	165.4	0	0	111.1	S143 I144 W188 R191	S143-E147 PolarHBondContact O-N 3.21Å; I144-E147 WeakPolarHBondContact CA-O 3.31Å; I144-E147 CarbonylContact O-C 3.56Å; I144-E147 PolarHBondContact O-N 2.95Å; I144-E147 VanDerWaalsContact O-N 3.12Å; I144-E147 VanDerWaalsContact O-O 3.12Å; E147-W188 HydrophobicContact CB-CH2 4.14Å; E147-W188 HydrophobicContact CB-CZ2 3.4Å; E147-W188 VanDerWaalsContact CB-CZ2 3.4Å; E147-W188 HydrophobicContact CG-CH2 3.75Å; E147-W188 HydrophobicContact CG-CZ2 3.48Å; E147-W188 VanDerWaalsContact CG-CZ2 3.48Å; E147-R191 IonicContact OE2-NH1 3.63Å; E147-R191 PolarHBondContact OE2-NH1 3.35Å
148	P	71.8	Confident	79.5	Confident	90 Å²	90	55.6 Å²	55.6	58%	0.584	27%	0.272	S	S	*	.			trans	-66.9	144.7	-172.9	24.8	-32.7	0	0	0	112.6
149	L	73.2	Confident	79.8	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.131	28%	0.279	C	S	.	.			trans	-57.1	136.7	177.6	-177.3	61.4	0	0	0	111.4	F134 F135 I144 V151 I156 F180	F134-L149 HydrophobicContact CE1-CD2 4.44Å; F135-L149 HydrophobicContact CD2-CD2 4.14Å; F135-L149 HydrophobicContact CE2-CB 4.41Å; I144-L149 HydrophobicContact CD1-CB 4.1Å; L149-V151 PolarHBondContact O-N 2.74Å; L149-I156 HydrophobicContact CD2-CD1 4.21Å; L149-F180 HydrophobicContact CD1-CE2 3.63Å; L149-F180 HydrophobicContact CD1-CZ 4.22Å; L149-F180 HydrophobicContact CD2-CE2 4.23Å
150	N	79.7	Confident	80.3	Confident	50 Å²	50	55.7 Å²	55.7	27%	0.267	27%	0.266	S	S	.	.			trans	-73.9	91.3	167.4	-173.6	2.9	0	0	0	110.4	Q152 S153 E187	N150-Q152 PolarHBondContact O-N 2.93Å; N150-Q152 PolarHBondContact OD1-N 3.26Å; N150-S153 VanDerWaalsContact O-CB 3.24Å; N150-S153 WeakPolarHBondContact O-CB 3.35Å; N150-S153 PolarHBondContact O-N 2.82Å; N150-S153 VanDerWaalsContact O-N 3.07Å; N150-S153 PolarHBondContact O-OG 3.41Å; N150-E187 PolarHBondContact ND2-OE2 3.03Å
151	V	76.2	Confident	80.7	Confident	35 Å²	35	54.6 Å²	54.6	21%	0.212	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.8	179.7	174.8	0	0	0	0	113.1	F131 F135 L149 R164	F131-V151 HydrophobicContact CE1-CG1 4.35Å; F131-V151 HydrophobicContact CE2-CG1 4.44Å; F131-V151 HydrophobicContact CZ-CG1 3.63Å; F131-V151 HydrophobicContact CZ-CG2 4.44Å; F135-V151 HydrophobicContact CD2-CG2 3.82Å; F135-V151 HydrophobicContact CE2-CG2 3.25Å; F135-V151 HydrophobicContact CZ-CG2 3.97Å; L149-V151 PolarHBondContact O-N 2.74Å; V151-R164 PolarHBondContact O-NH2 3.41Å
152	Q	77.6	Confident	81	Confident	166 Å²	166	63 Å²	63	78%	0.776	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	11.4	177	-64.1	-177.7	-11.6	0	0	112.8	N150	N150-Q152 PolarHBondContact O-N 2.93Å; N150-Q152 PolarHBondContact OD1-N 3.26Å
153	S	82.9	Confident	81.9	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.042	31%	0.311	C	S	.	.			trans	-68.2	143.4	178.7	59.8	0	0	0	0	111.4	N150 F155 I156 D157	N150-S153 VanDerWaalsContact O-CB 3.24Å; N150-S153 WeakPolarHBondContact O-CB 3.35Å; N150-S153 PolarHBondContact O-N 2.82Å; N150-S153 VanDerWaalsContact O-N 3.07Å; N150-S153 PolarHBondContact O-OG 3.41Å; S153-F155 PolarHBondContact O-N 3.48Å; S153-F155 VanDerWaalsContact O-N 3.08Å; S153-I156 PolarHBondContact O-N 3.11Å; S153-I156 WeakPolarHBondContact OG-CG1 3.3Å; S153-D157 PolarHBondContact O-N 2.97Å
154	N	87.5	Confident	83.2	Confident	122 Å²	122	67.8 Å²	67.8	65%	0.652	32%	0.32	S	S	*	.	H	α-helix	trans	-58.5	-22.5	173.6	-70.3	-38	0	0	0	112.2	R158	N154-R158 VanDerWaalsContact O-CG 3.26Å; N154-R158 WeakPolarHBondContact O-CG 3.13Å; N154-R158 PolarHBondContact O-N 2.84Å; N154-R158 PolarHBondContact O-NE 3.08Å
155	F	90.1	Very high	84.3	Confident	5 Å²	5	74.4 Å²	74.4	2%	0.022	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-49.5	172.6	175.7	-96.1	0	0	0	112.8	S153 D157 R158 Y159 L176 D179 F180 E183	S153-F155 PolarHBondContact O-N 3.48Å; S153-F155 VanDerWaalsContact O-N 3.08Å; F155-D157 VanDerWaalsContact C-N 3.31Å; F155-D157 PolarHBondContact O-N 3.32Å; F155-R158 PolarHBondContact O-N 3.23Å; F155-Y159 HydrophobicContact CD2-CD2 4.34Å; F155-Y159 HydrophobicContact CD2-CE2 4.25Å; F155-Y159 HydrophobicContact CE1-CD2 4.42Å; F155-Y159 AromaticContact CE2-CD2 3.93Å; F155-Y159 HydrophobicContact CE2-CD2 3.93Å; F155-Y159 AromaticContact CE2-CE2 3.59Å; F155-Y159 HydrophobicContact CE2-CE2 3.59Å; F155-Y159 AromaticContact CZ-CD2 3.97Å; F155-Y159 HydrophobicContact CZ-CD2 3.97Å; F155-Y159 AromaticContact CZ-CE2 3.88Å; F155-Y159 HydrophobicContact CZ-CE2 3.88Å; F155-Y159 PolarHBondContact O-N 3.38Å; F155-L176 HydrophobicContact CE1-CD1 3.7Å; F155-L176 HydrophobicContact CZ-CD1 3.59Å; F155-D179 HydrophobicContact CE2-CB 3.75Å; F155-D179 HydrophobicContact CZ-CB 4.24Å; F155-F180 HydrophobicContact CE1-CB 4.42Å; F155-F180 HydrophobicContact CE1-CD2 4.01Å; F155-F180 HydrophobicContact CZ-CB 4.14Å; F155-E183 HydrophobicContact CB-CB 4.47Å; F155-E183 HydrophobicContact CB-CG 3.55Å; F155-E183 HydrophobicContact CD1-CB 4.49Å; F155-E183 HydrophobicContact CD1-CG 4.28Å; F155-E183 HydrophobicContact CD2-CB 3.78Å; F155-E183 HydrophobicContact CD2-CG 3.75Å; F155-E183 HydrophobicContact CE2-CB 4.1Å; F155-E183 HydrophobicContact CG-CB 4Å; F155-E183 HydrophobicContact CG-CG 3.6Å
156	I	90.8	Very high	85.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-42.6	178.6	-65.4	-61	0	0	0	110.3	F131 F134 L149 S153 R158 Y159 F160	F131-I156 HydrophobicContact CD2-CG2 3.63Å; F131-I156 HydrophobicContact CE2-CD1 4.3Å; F131-I156 HydrophobicContact CE2-CG1 4.49Å; F131-I156 HydrophobicContact CE2-CG2 3.5Å; F134-I156 HydrophobicContact CE1-CD1 4.28Å; L149-I156 HydrophobicContact CD2-CD1 4.21Å; S153-I156 PolarHBondContact O-N 3.11Å; S153-I156 WeakPolarHBondContact OG-CG1 3.3Å; I156-R158 VanDerWaalsContact C-N 3.28Å; I156-R158 PolarHBondContact O-N 3.2Å; I156-Y159 PolarHBondContact O-N 3.45Å; I156-F160 HydrophobicContact CG2-CD2 4.21Å; I156-F160 PolarHBondContact O-N 3.44Å
157	D	92.6	Very high	86.9	Confident	42 Å²	42	72.2 Å²	72.2	23%	0.225	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-33.5	177.2	-74	-4.5	0	0	0	112.8	S153 F155 G161 K162	S153-D157 PolarHBondContact O-N 2.97Å; F155-D157 VanDerWaalsContact C-N 3.31Å; F155-D157 PolarHBondContact O-N 3.32Å; D157-G161 CarbonylContact O-C 3.5Å; D157-G161 WeakPolarHBondContact O-CA 3.42Å; D157-G161 PolarHBondContact O-N 3.1Å; D157-K162 HydrophobicContact CB-CG 4.27Å
158	R	94	Very high	88.1	Confident	165 Å²	165	69.4 Å²	69.4	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-67.7	-37.1	178.3	-80.8	-179.5	-69.1	177.3	2.4	112.7	N154 F155 I156 E183	N154-R158 VanDerWaalsContact O-CG 3.26Å; N154-R158 WeakPolarHBondContact O-CG 3.13Å; N154-R158 PolarHBondContact O-N 2.84Å; N154-R158 PolarHBondContact O-NE 3.08Å; F155-R158 PolarHBondContact O-N 3.23Å; I156-R158 VanDerWaalsContact C-N 3.28Å; I156-R158 PolarHBondContact O-N 3.2Å; R158-E183 IonicContact NH2-OE1 3.8Å; R158-E183 IonicContact NH2-OE2 3.62Å
159	Y	94.3	Very high	89.2	Confident	41 Å²	41	65.9 Å²	65.9	16%	0.161	31%	0.31	C	S	.	.	H	α-helix	trans	-88.1	-48.9	-179.7	-84.7	-83.5	0	0	0	112.5	F155 I156 L168 Q175 L176 D179	F155-Y159 HydrophobicContact CD2-CD2 4.34Å; F155-Y159 HydrophobicContact CD2-CE2 4.25Å; F155-Y159 HydrophobicContact CE1-CD2 4.42Å; F155-Y159 AromaticContact CE2-CD2 3.93Å; F155-Y159 HydrophobicContact CE2-CD2 3.93Å; F155-Y159 AromaticContact CE2-CE2 3.59Å; F155-Y159 HydrophobicContact CE2-CE2 3.59Å; F155-Y159 AromaticContact CZ-CD2 3.97Å; F155-Y159 HydrophobicContact CZ-CD2 3.97Å; F155-Y159 AromaticContact CZ-CE2 3.88Å; F155-Y159 HydrophobicContact CZ-CE2 3.88Å; F155-Y159 PolarHBondContact O-N 3.38Å; I156-Y159 PolarHBondContact O-N 3.45Å; Y159-L168 HydrophobicContact CD1-CD1 4.05Å; Y159-L168 HydrophobicContact CD1-CD2 4.43Å; Y159-Q175 WeakPolarHBondContact OH-CG 3.45Å; Y159-L176 HydrophobicContact CD1-CB 3.91Å; Y159-L176 HydrophobicContact CD1-CD1 3.85Å; Y159-L176 HydrophobicContact CD1-CG 4.43Å; Y159-L176 HydrophobicContact CD2-CD1 3.68Å; Y159-L176 HydrophobicContact CE1-CB 3.76Å; Y159-L176 HydrophobicContact CE1-CD1 4.22Å; Y159-L176 HydrophobicContact CE2-CD1 4.07Å; Y159-L176 HydrophobicContact CG-CD1 3.56Å; Y159-D179 HydrophobicContact CE2-CB 4.47Å; Y159-D179 PolarHBondContact OH-OD2 3.24Å
160	F	95.1	Very high	90.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-96.4	-7.2	-172.4	-65.6	-75.1	0	0	0	114	S130 F131 F134 I156 R164 K165 N166 L168 L176	S130-F160 VanDerWaalsContact C-CE1 3.49Å; F131-F160 HydrophobicContact CB-CB 4.13Å; F131-F160 HydrophobicContact CB-CD1 3.81Å; F131-F160 HydrophobicContact CB-CD2 4.32Å; F131-F160 HydrophobicContact CB-CE1 4.29Å; F131-F160 HydrophobicContact CB-CG 3.81Å; F131-F160 AromaticContact CD2-CD2 3.97Å; F131-F160 HydrophobicContact CD2-CD2 3.97Å; F131-F160 HydrophobicContact CD2-CE2 4.36Å; F131-F160 HydrophobicContact CD2-CG 4.25Å; F134-F160 HydrophobicContact CB-CE2 4.34Å; F134-F160 HydrophobicContact CB-CZ 3.81Å; F134-F160 HydrophobicContact CD1-CE2 4.12Å; F134-F160 HydrophobicContact CD1-CZ 4.4Å; F134-F160 HydrophobicContact CG-CE2 4.3Å; F134-F160 HydrophobicContact CG-CZ 4.12Å; I156-F160 HydrophobicContact CG2-CD2 4.21Å; I156-F160 PolarHBondContact O-N 3.44Å; F160-R164 CarbonylContact O-C 3.33Å; F160-R164 WeakPolarHBondContact O-CA 3.47Å; F160-K165 PolarHBondContact O-N 3.03Å; F160-N166 WeakPolarHBondContact O-CB 3.44Å; F160-N166 PolarHBondContact O-N 2.9Å; F160-L168 HydrophobicContact CD1-CG 4.5Å; F160-L168 HydrophobicContact CE1-CD1 3.81Å; F160-L168 HydrophobicContact CE1-CG 3.97Å; F160-L168 HydrophobicContact CE2-CD1 4.44Å; F160-L168 HydrophobicContact CZ-CD1 3.75Å; F160-L168 HydrophobicContact CZ-CG 4.42Å; F160-L176 HydrophobicContact CE2-CD1 4.36Å; F160-L176 HydrophobicContact CE2-CD2 3.93Å; F160-L176 HydrophobicContact CZ-CD2 3.71Å
161	G	92.6	Very high	91	Very high	12 Å²	12	71.5 Å²	71.5	12%	0.124	33%	0.334	C	S	.	.			trans	78	156.4	-172	0	0	0	0	0	111.7	D157 D163 R164	D157-G161 CarbonylContact O-C 3.5Å; D157-G161 WeakPolarHBondContact O-CA 3.42Å; D157-G161 PolarHBondContact O-N 3.1Å; G161-D163 PolarHBondContact O-N 3.33Å; G161-R164 WeakPolarHBondContact O-CA 3.26Å; G161-R164 PolarHBondContact O-N 3.21Å
162	K	90.3	Very high	91.9	Very high	180 Å²	180	75 Å²	75	78%	0.783	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.6	177.2	-68.7	-171.7	174.6	-175.1	0	113.2	D157	D157-K162 HydrophobicContact CB-CG 4.27Å
163	D	91.5	Very high	92.7	Very high	96 Å²	96	67 Å²	67	51%	0.513	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.7	176.6	70.5	-14.8	0	0	0	113.2	G161 K165	G161-D163 PolarHBondContact O-N 3.33Å; D163-K165 HydrophobicContact CB-CG 4.31Å; D163-K165 PolarHBondContact O-N 3.47Å; D163-K165 PolarHBondContact OD1-N 3.4Å; D163-K165 VanDerWaalsContact OD2-CD 3.23Å; D163-K165 WeakPolarHBondContact OD2-CD 3.47Å; D163-K165 WeakPolarHBondContact OD2-CG 3.46Å; D163-K165 IonicContact OD2-NZ 3.58Å
164	R	91.8	Very high	93.2	Very high	81 Å²	81	67.9 Å²	67.9	31%	0.306	32%	0.317	S	S	.	.	S	Bend	trans	58.5	22.7	179.1	-54.1	-179.2	-175.1	170.9	3.5	114.4	F131 V151 F160 G161 R167	F131-R164 HydrophobicContact CB-CB 4.17Å; F131-R164 HydrophobicContact CG-CB 4.42Å; F131-R164 HydrophobicContact CG-CG 4.42Å; V151-R164 PolarHBondContact O-NH2 3.41Å; F160-R164 CarbonylContact O-C 3.33Å; F160-R164 WeakPolarHBondContact O-CA 3.47Å; G161-R164 WeakPolarHBondContact O-CA 3.26Å; G161-R164 PolarHBondContact O-N 3.21Å; R164-R167 PolarHBondContact O-NH1 3.5Å
165	K	92.4	Very high	93.5	Very high	147 Å²	147	66.7 Å²	66.7	64%	0.639	31%	0.307	S	S	*	.			trans	-89.9	-15.4	-178.6	-66.5	-171.2	-166.8	159.9	0	113.7	F160 D163 R167	F160-K165 PolarHBondContact O-N 3.03Å; D163-K165 HydrophobicContact CB-CG 4.31Å; D163-K165 PolarHBondContact O-N 3.47Å; D163-K165 PolarHBondContact OD1-N 3.4Å; D163-K165 VanDerWaalsContact OD2-CD 3.23Å; D163-K165 WeakPolarHBondContact OD2-CD 3.47Å; D163-K165 WeakPolarHBondContact OD2-CG 3.46Å; D163-K165 IonicContact OD2-NZ 3.58Å; K165-R167 PolarHBondContact O-NH1 3.28Å
166	N	94.6	Very high	93.6	Very high	82 Å²	82	66.4 Å²	66.4	44%	0.439	31%	0.306	S	S	.	.			trans	-63.6	144.7	176.2	-62.2	-15.5	0	0	0	109.6	F160	F160-N166 WeakPolarHBondContact O-CB 3.44Å; F160-N166 PolarHBondContact O-N 2.9Å
167	R	95.3	Very high	93.5	Very high	102 Å²	102	66.4 Å²	66.4	39%	0.385	31%	0.306	S	S	.	.			trans	-128.7	123.4	-179	-62	-67.1	-178.7	-100.5	13.1	107.4	R128 I129 S130 E132 R164 K165	R128-R167 HydrophobicContact CB-CB 3.71Å; R128-R167 HydrophobicContact CG-CB 4.49Å; I129-R167 CarbonylContact O-C 3.59Å; I129-R167 WeakPolarHBondContact O-CA 3.48Å; S130-R167 VanDerWaalsContact CB-CZ 3.43Å; S130-R167 VanDerWaalsContact CB-NE 3.34Å; E132-R167 IonicContact OE2-NH2 2.89Å; R164-R167 PolarHBondContact O-NH1 3.5Å; K165-R167 PolarHBondContact O-NH1 3.28Å
168	L	95.1	Very high	93.2	Very high	11 Å²	11	70.2 Å²	70.2	6%	0.058	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-91.4	125	-171.4	-54.6	179.8	0	0	0	110.3	R128 I129 Y159 F160 E172 L176	R128-L168 CarbonylContact C-O 3.58Å; R128-L168 VanDerWaalsContact CA-O 3.27Å; R128-L168 WeakPolarHBondContact CA-O 3.4Å; I129-L168 PolarHBondContact N-O 3.48Å; I129-L168 PolarHBondContact O-N 3.35Å; Y159-L168 HydrophobicContact CD1-CD1 4.05Å; Y159-L168 HydrophobicContact CD1-CD2 4.43Å; F160-L168 HydrophobicContact CD1-CG 4.5Å; F160-L168 HydrophobicContact CE1-CD1 3.81Å; F160-L168 HydrophobicContact CE1-CG 3.97Å; F160-L168 HydrophobicContact CE2-CD1 4.44Å; F160-L168 HydrophobicContact CZ-CD1 3.75Å; F160-L168 HydrophobicContact CZ-CG 4.42Å; L168-E172 HydrophobicContact CB-CB 4.11Å; L168-E172 HydrophobicContact CD2-CB 4.12Å; L168-L176 HydrophobicContact CD1-CB 4.1Å; L168-L176 HydrophobicContact CD1-CD2 3.58Å; L168-L176 HydrophobicContact CD1-CG 4.33Å
169	G	95.3	Very high	92.9	Very high	15 Å²	15	64.5 Å²	64.5	16%	0.155	30%	0.304	C	S	.	.			trans	-71.9	177.6	165.2	0	0	0	0	0	111.7	M171 E172 F173	G169-M171 PolarHBondContact O-N 2.96Å; G169-E172 WeakPolarHBondContact CA-OE2 3.45Å; G169-E172 PolarHBondContact N-OE2 2.9Å; G169-E172 PolarHBondContact O-N 3.42Å; G169-F173 WeakPolarHBondContact O-CB 3.35Å; G169-F173 PolarHBondContact O-N 2.94Å
170	Y	94.8	Very high	92.6	Very high	45 Å²	45	62.7 Å²	62.7	18%	0.176	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-51.5	-175.8	173.5	-116.4	0	0	0	114	D109 Y112 L113 F116 E172 F173 C174	D109-Y170 VanDerWaalsContact CB-OH 3.3Å; D109-Y170 WeakPolarHBondContact CB-OH 3.32Å; D109-Y170 WeakPolarHBondContact OD2-CE1 3.35Å; D109-Y170 PolarHBondContact OD2-OH 3.17Å; Y112-Y170 WeakPolarHBondContact CB-OH 3.36Å; L113-Y170 HydrophobicContact CD2-CD2 3.91Å; L113-Y170 HydrophobicContact CD2-CE1 4.27Å; L113-Y170 HydrophobicContact CD2-CE2 3.53Å; L113-Y170 HydrophobicContact CD2-CG 4.44Å; L113-Y170 HydrophobicContact CG-CE2 3.9Å; F116-Y170 HydrophobicContact CB-CD2 4.01Å; F116-Y170 HydrophobicContact CB-CE2 4.35Å; F116-Y170 HydrophobicContact CD1-CD2 4.28Å; F116-Y170 HydrophobicContact CD2-CD2 4.08Å; F116-Y170 VanDerWaalsContact CE2-CA 3.5Å; F116-Y170 AromaticContact CG-CD2 3.87Å; F116-Y170 HydrophobicContact CG-CD2 3.87Å; Y170-E172 PolarHBondContact O-N 3.42Å; Y170-F173 PolarHBondContact O-N 2.98Å; Y170-C174 VanDerWaalsContact CE2-SG 3.56Å; Y170-C174 PolarHBondContact O-N 3.31Å; Y170-C174 PolarHBondContact O-SG 3.4Å
171	M	96	Very high	91.9	Very high	148 Å²	148	63.4 Å²	63.4	73%	0.729	30%	0.3	S	S	*	.	H	α-helix	trans	-63.9	-40.6	-177	-63.8	-62.6	-177.7	0	0	112.5	G169 C174 Q175	G169-M171 PolarHBondContact O-N 2.96Å; M171-C174 PolarHBondContact O-N 2.84Å; M171-Q175 PolarHBondContact O-N 3.18Å
172	E	95.5	Very high	91.5	Very high	108 Å²	108	66.1 Å²	66.1	51%	0.505	31%	0.309	S	S	.	.	H	α-helix	trans	-70.3	-37.1	179.4	-63.5	144.8	165	0	0	110.9	L168 G169 Y170 Q175 L176	L168-E172 HydrophobicContact CB-CB 4.11Å; L168-E172 HydrophobicContact CD2-CB 4.12Å; G169-E172 WeakPolarHBondContact CA-OE2 3.45Å; G169-E172 PolarHBondContact N-OE2 2.9Å; G169-E172 PolarHBondContact O-N 3.42Å; Y170-E172 PolarHBondContact O-N 3.42Å; E172-Q175 PolarHBondContact O-N 3.43Å; E172-L176 PolarHBondContact O-N 3.17Å
173	F	94.8	Very high	91.3	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-42	173.8	171	-92.6	0	0	0	112.3	A115 F116 F119 I129 G169 Y170 Q175 L176 L177	A115-F173 HydrophobicContact CB-CE1 4.35Å; F116-F173 HydrophobicContact CB-CD1 4.02Å; F116-F173 HydrophobicContact CB-CE1 4.03Å; F116-F173 HydrophobicContact CD2-CB 3.77Å; F116-F173 AromaticContact CD2-CD1 3.58Å; F116-F173 HydrophobicContact CD2-CD1 3.58Å; F116-F173 HydrophobicContact CD2-CD2 4.4Å; F116-F173 HydrophobicContact CD2-CE1 4.29Å; F116-F173 AromaticContact CD2-CG 3.64Å; F116-F173 HydrophobicContact CD2-CG 3.64Å; F116-F173 HydrophobicContact CE2-CB 3.97Å; F116-F173 HydrophobicContact CE2-CG 4.27Å; F116-F173 HydrophobicContact CG-CD1 4.3Å; F119-F173 HydrophobicContact CB-CE2 4.08Å; F119-F173 HydrophobicContact CB-CZ 4.36Å; F119-F173 HydrophobicContact CD1-CE2 4.2Å; F119-F173 HydrophobicContact CD2-CE1 4.42Å; F119-F173 AromaticContact CD2-CE2 3.55Å; F119-F173 HydrophobicContact CD2-CE2 3.55Å; F119-F173 AromaticContact CD2-CZ 3.26Å; F119-F173 HydrophobicContact CD2-CZ 3.26Å; F119-F173 AromaticContact CE2-CE2 3.96Å; F119-F173 HydrophobicContact CE2-CE2 3.96Å; F119-F173 AromaticContact CE2-CZ 3.61Å; F119-F173 HydrophobicContact CE2-CZ 3.61Å; F119-F173 AromaticContact CG-CE2 3.67Å; F119-F173 HydrophobicContact CG-CE2 3.67Å; F119-F173 AromaticContact CG-CZ 3.88Å; F119-F173 HydrophobicContact CG-CZ 3.88Å; F119-F173 HydrophobicContact CZ-CE2 4.41Å; F119-F173 HydrophobicContact CZ-CZ 4.44Å; I129-F173 HydrophobicContact CB-CD2 4.39Å; I129-F173 HydrophobicContact CG1-CD2 3.9Å; I129-F173 HydrophobicContact CG1-CG 4.36Å; I129-F173 HydrophobicContact CG2-CD2 4.31Å; G169-F173 WeakPolarHBondContact O-CB 3.35Å; G169-F173 PolarHBondContact O-N 2.94Å; Y170-F173 PolarHBondContact O-N 2.98Å; F173-Q175 PolarHBondContact O-N 2.72Å; F173-L176 HydrophobicContact CD2-CD2 4.48Å; F173-L176 WeakPolarHBondContact O-CB 3.16Å; F173-L176 PolarHBondContact O-N 2.95Å; F173-L176 VanDerWaalsContact O-N 3.14Å; F173-L177 HydrophobicContact CE1-CD2 4.01Å; F173-L177 HydrophobicContact CZ-CD2 4.09Å; F173-L177 PolarHBondContact O-N 2.83Å
174	C	92.7	Very high	91	Very high	23 Å²	23	55.1 Å²	55.1	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-40.4	176.3	-67.5	0	0	0	0	111.6	Y112 Y170 M171 H178	Y112-C174 HydrophobicContact CD1-CB 3.94Å; Y112-C174 VanDerWaalsContact CD1-SG 3.55Å; Y112-C174 HydrophobicContact CE1-CB 4.19Å; Y170-C174 VanDerWaalsContact CE2-SG 3.56Å; Y170-C174 PolarHBondContact O-N 3.31Å; Y170-C174 PolarHBondContact O-SG 3.4Å; M171-C174 PolarHBondContact O-N 2.84Å; C174-H178 PolarHBondContact O-N 3.21Å
175	Q	93.4	Very high	90.7	Very high	97 Å²	97	51.3 Å²	51.3	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-68.9	-42.7	175.6	-169.4	62.3	40.2	0	0	112	Y159 M171 E172 F173 L177 H178 D179	Y159-Q175 WeakPolarHBondContact OH-CG 3.45Å; M171-Q175 PolarHBondContact O-N 3.18Å; E172-Q175 PolarHBondContact O-N 3.43Å; F173-Q175 PolarHBondContact O-N 2.72Å; Q175-L177 VanDerWaalsContact C-N 3.31Å; Q175-L177 PolarHBondContact O-N 3.41Å; Q175-H178 PolarHBondContact O-N 3.44Å; Q175-D179 PolarHBondContact NE2-OD1 3.28Å; Q175-D179 PolarHBondContact NE2-OD2 3.44Å; Q175-D179 PolarHBondContact O-N 3.48Å
176	L	93.2	Very high	90.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.6	-47.7	174.4	172.7	71	0	0	0	111.4	F134 F155 Y159 F160 L168 E172 F173 H178 D179 F180	F134-L176 HydrophobicContact CD2-CD2 3.61Å; F134-L176 HydrophobicContact CE2-CD2 3.68Å; F134-L176 HydrophobicContact CE2-CG 4.11Å; F134-L176 HydrophobicContact CG-CD2 4.07Å; F134-L176 HydrophobicContact CZ-CD2 4.19Å; F134-L176 HydrophobicContact CZ-CG 4.37Å; F155-L176 HydrophobicContact CE1-CD1 3.7Å; F155-L176 HydrophobicContact CZ-CD1 3.59Å; Y159-L176 HydrophobicContact CD1-CB 3.91Å; Y159-L176 HydrophobicContact CD1-CD1 3.85Å; Y159-L176 HydrophobicContact CD1-CG 4.43Å; Y159-L176 HydrophobicContact CD2-CD1 3.68Å; Y159-L176 HydrophobicContact CE1-CB 3.76Å; Y159-L176 HydrophobicContact CE1-CD1 4.22Å; Y159-L176 HydrophobicContact CE2-CD1 4.07Å; Y159-L176 HydrophobicContact CG-CD1 3.56Å; F160-L176 HydrophobicContact CE2-CD1 4.36Å; F160-L176 HydrophobicContact CE2-CD2 3.93Å; F160-L176 HydrophobicContact CZ-CD2 3.71Å; L168-L176 HydrophobicContact CD1-CB 4.1Å; L168-L176 HydrophobicContact CD1-CD2 3.58Å; L168-L176 HydrophobicContact CD1-CG 4.33Å; E172-L176 PolarHBondContact O-N 3.17Å; F173-L176 HydrophobicContact CD2-CD2 4.48Å; F173-L176 WeakPolarHBondContact O-CB 3.16Å; F173-L176 PolarHBondContact O-N 2.95Å; F173-L176 VanDerWaalsContact O-N 3.14Å; L176-H178 VanDerWaalsContact C-N 3.33Å; L176-H178 PolarHBondContact O-N 2.97Å; L176-D179 PolarHBondContact O-N 3.32Å; L176-F180 VanDerWaalsContact O-CB 3.26Å; L176-F180 WeakPolarHBondContact O-CB 3.34Å; L176-F180 PolarHBondContact O-N 3.49Å
177	L	88.5	Confident	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-39.2	-176	-168.1	60.1	0	0	0	111.9	A115 F173 Q175 H181 F677 L679	A115-L177 HydrophobicContact CB-CD2 4.18Å; F173-L177 HydrophobicContact CE1-CD2 4.01Å; F173-L177 HydrophobicContact CZ-CD2 4.09Å; F173-L177 PolarHBondContact O-N 2.83Å; Q175-L177 VanDerWaalsContact C-N 3.31Å; Q175-L177 PolarHBondContact O-N 3.41Å; L177-H181 PolarHBondContact O-CD2 3.19Å; L177-F677 HydrophobicContact CD1-CB 4.1Å; L177-F677 HydrophobicContact CD1-CG 4.49Å; L177-F677 HydrophobicContact CD2-CB 3.86Å; L177-F677 HydrophobicContact CD2-CD1 3.48Å; L177-F677 VanDerWaalsContact CD2-CD1 3.48Å; L177-F677 HydrophobicContact CD2-CD2 3.51Å; L177-F677 HydrophobicContact CD2-CE1 3.77Å; L177-F677 HydrophobicContact CD2-CE2 3.75Å; L177-F677 HydrophobicContact CD2-CG 3.35Å; L177-F677 HydrophobicContact CD2-CZ 3.89Å; L177-F677 HydrophobicContact CG-CB 3.98Å; L177-F677 HydrophobicContact CG-CD1 3.81Å; L177-F677 HydrophobicContact CG-CD2 4.5Å; L177-F677 HydrophobicContact CG-CE1 4.39Å; L177-F677 HydrophobicContact CG-CG 3.88Å; L177-L679 HydrophobicContact CD1-CD1 4.45Å; L177-L679 HydrophobicContact CD1-CD2 4.46Å
178	H	85.1	Confident	90	Very high	122 Å²	122	38.9 Å²	38.9	57%	0.565	19%	0.19	S	C	*	.	H	α-helix	trans	-62.8	-47.6	173.5	177	-86.4	0	0	0	111.8	C174 Q175 L176	C174-H178 PolarHBondContact O-N 3.21Å; Q175-H178 PolarHBondContact O-N 3.44Å; L176-H178 VanDerWaalsContact C-N 3.33Å; L176-H178 PolarHBondContact O-N 2.97Å
179	D	89.3	Confident	89.8	Confident	45 Å²	45	38.6 Å²	38.6	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-75.7	-27.6	-174.5	-64.3	-9.2	0	0	0	112.8	F155 Y159 Q175 L176 H181 H182 E183	F155-D179 HydrophobicContact CE2-CB 3.75Å; F155-D179 HydrophobicContact CZ-CB 4.24Å; Y159-D179 HydrophobicContact CE2-CB 4.47Å; Y159-D179 PolarHBondContact OH-OD2 3.24Å; Q175-D179 PolarHBondContact NE2-OD1 3.28Å; Q175-D179 PolarHBondContact NE2-OD2 3.44Å; Q175-D179 PolarHBondContact O-N 3.48Å; L176-D179 PolarHBondContact O-N 3.32Å; D179-H181 PolarHBondContact O-N 3.46Å; D179-H182 WeakPolarHBondContact O-CB 3.47Å; D179-H182 PolarHBondContact O-N 3.4Å; D179-H182 VanDerWaalsContact O-N 3.16Å; D179-E183 PolarHBondContact O-N 2.84Å
180	F	87.4	Confident	89.6	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-51	-176.2	174.7	-110.8	0	0	0	113.1	F134 I138 I144 L149 F155 L176 H182 E183 Q184	F134-F180 HydrophobicContact CE1-CD2 4.02Å; F134-F180 AromaticContact CE1-CE2 3.97Å; F134-F180 HydrophobicContact CE1-CE2 3.97Å; F134-F180 HydrophobicContact CZ-CB 4.36Å; F134-F180 HydrophobicContact CZ-CD1 4.36Å; F134-F180 AromaticContact CZ-CD2 3.54Å; F134-F180 HydrophobicContact CZ-CD2 3.54Å; F134-F180 AromaticContact CZ-CE2 3.78Å; F134-F180 HydrophobicContact CZ-CE2 3.78Å; F134-F180 AromaticContact CZ-CG 3.83Å; F134-F180 HydrophobicContact CZ-CG 3.83Å; F134-F180 HydrophobicContact CZ-CZ 4.31Å; I138-F180 HydrophobicContact CD1-CD1 4.3Å; I138-F180 HydrophobicContact CD1-CE1 3.77Å; I138-F180 HydrophobicContact CD1-CZ 4.13Å; I138-F180 HydrophobicContact CG1-CE1 4.43Å; I138-F180 HydrophobicContact CG1-CZ 4.3Å; I138-F180 HydrophobicContact CG2-CE1 4.15Å; I138-F180 HydrophobicContact CG2-CE2 4.29Å; I138-F180 HydrophobicContact CG2-CZ 3.51Å; I144-F180 HydrophobicContact CD1-CZ 4.18Å; L149-F180 HydrophobicContact CD1-CE2 3.63Å; L149-F180 HydrophobicContact CD1-CZ 4.22Å; L149-F180 HydrophobicContact CD2-CE2 4.23Å; F155-F180 HydrophobicContact CE1-CB 4.42Å; F155-F180 HydrophobicContact CE1-CD2 4.01Å; F155-F180 HydrophobicContact CZ-CB 4.14Å; L176-F180 VanDerWaalsContact O-CB 3.26Å; L176-F180 WeakPolarHBondContact O-CB 3.34Å; L176-F180 PolarHBondContact O-N 3.49Å; F180-H182 VanDerWaalsContact C-N 3.26Å; F180-H182 PolarHBondContact O-N 3.3Å; F180-E183 PolarHBondContact O-N 3.19Å; F180-Q184 HydrophobicContact CD1-CG 4.36Å; F180-Q184 HydrophobicContact CD2-CG 4.27Å; F180-Q184 VanDerWaalsContact CE1-CD 3.49Å; F180-Q184 HydrophobicContact CE1-CG 3.95Å; F180-Q184 HydrophobicContact CE2-CG 3.9Å; F180-Q184 HydrophobicContact CZ-CG 3.71Å; F180-Q184 WeakPolarHBondContact O-CG 3.34Å; F180-Q184 PolarHBondContact O-N 3.14Å
181	H	79.6	Confident	89.4	Confident	15 Å²	15	46.5 Å²	46.5	7%	0.069	22%	0.218	C	C	.	.	H	α-helix	trans	-67.8	-29.7	-179.1	-63.7	-69.2	0	0	0	112.7	L177 D179 A185 K213 F677	L177-H181 PolarHBondContact O-CD2 3.19Å; D179-H181 PolarHBondContact O-N 3.46Å; H181-A185 PolarHBondContact O-N 2.96Å; H181-K213 WeakPolarHBondContact O-CE 3.22Å; H181-K213 PolarHBondContact O-NZ 3.38Å; H181-F677 PolarHBondContact CE1-O 3.44Å; H181-F677 PolarHBondContact NE2-O 3.07Å
182	H	84.3	Confident	89.2	Confident	69 Å²	69	42 Å²	42	32%	0.319	20%	0.195	S	C	.	.	H	α-helix	trans	-63.9	-49.7	172.6	-170.6	79.4	0	0	0	110.1	D179 F180 Q184 A185 L186 M243	D179-H182 WeakPolarHBondContact O-CB 3.47Å; D179-H182 PolarHBondContact O-N 3.4Å; D179-H182 VanDerWaalsContact O-N 3.16Å; F180-H182 VanDerWaalsContact C-N 3.26Å; F180-H182 PolarHBondContact O-N 3.3Å; H182-Q184 PolarHBondContact O-N 2.89Å; H182-A185 PolarHBondContact O-N 3.01Å; H182-L186 WeakPolarHBondContact O-CG 3.35Å; H182-L186 PolarHBondContact O-N 2.97Å; H182-M243 VanDerWaalsContact CE1-CE 3.44Å; H182-M243 WeakPolarHBondContact CE1-CE 3.4Å
183	E	87.3	Confident	89.1	Confident	31 Å²	31	37.7 Å²	37.7	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-42.3	178.6	-166.9	77.5	-179.5	0	0	112.4	F155 R158 D179 F180 A185 L186 E187	F155-E183 HydrophobicContact CB-CB 4.47Å; F155-E183 HydrophobicContact CB-CG 3.55Å; F155-E183 HydrophobicContact CD1-CB 4.49Å; F155-E183 HydrophobicContact CD1-CG 4.28Å; F155-E183 HydrophobicContact CD2-CB 3.78Å; F155-E183 HydrophobicContact CD2-CG 3.75Å; F155-E183 HydrophobicContact CE2-CB 4.1Å; F155-E183 HydrophobicContact CG-CB 4Å; F155-E183 HydrophobicContact CG-CG 3.6Å; R158-E183 IonicContact NH2-OE1 3.8Å; R158-E183 IonicContact NH2-OE2 3.62Å; D179-E183 PolarHBondContact O-N 2.84Å; F180-E183 PolarHBondContact O-N 3.19Å; E183-A185 VanDerWaalsContact C-N 3.28Å; E183-A185 PolarHBondContact O-N 2.87Å; E183-L186 WeakPolarHBondContact O-CB 3.36Å; E183-L186 PolarHBondContact O-N 3.47Å; E183-L186 VanDerWaalsContact O-N 3.11Å; E183-E187 HydrophobicContact CG-CG 4.39Å; E183-E187 WeakPolarHBondContact O-CG 3.45Å; E183-E187 PolarHBondContact O-N 2.79Å
184	Q	84.2	Confident	88.9	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-43.3	178	-71.7	-153.8	-69.5	0	0	112.4	F180 H182 L186 E187 W188	F180-Q184 HydrophobicContact CD1-CG 4.36Å; F180-Q184 HydrophobicContact CD2-CG 4.27Å; F180-Q184 VanDerWaalsContact CE1-CD 3.49Å; F180-Q184 HydrophobicContact CE1-CG 3.95Å; F180-Q184 HydrophobicContact CE2-CG 3.9Å; F180-Q184 HydrophobicContact CZ-CG 3.71Å; F180-Q184 WeakPolarHBondContact O-CG 3.34Å; F180-Q184 PolarHBondContact O-N 3.14Å; H182-Q184 PolarHBondContact O-N 2.89Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; Q184-E187 PolarHBondContact O-N 3.32Å; Q184-W188 PolarHBondContact O-N 3.27Å; Q184-W188 VanDerWaalsContact O-N 3.12Å
185	A	87	Confident	88.8	Confident	2 Å²	2	49 Å²	49	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-35.8	-179.9	0	0	0	0	0	111.5	H181 H182 E183 F189 I208 K213 F242	H181-A185 PolarHBondContact O-N 2.96Å; H182-A185 PolarHBondContact O-N 3.01Å; E183-A185 VanDerWaalsContact C-N 3.28Å; E183-A185 PolarHBondContact O-N 2.87Å; A185-F189 PolarHBondContact O-N 3.46Å; A185-I208 HydrophobicContact CB-CG2 4.21Å; A185-K213 HydrophobicContact CB-CG 4.18Å; A185-F242 HydrophobicContact CB-CE1 4.48Å; A185-F242 HydrophobicContact CB-CZ 3.8Å
186	L	90	Very high	88.7	Confident	25 Å²	25	53.4 Å²	53.4	13%	0.131	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-45.5	174.2	-66.9	177.4	0	0	0	112.4	H182 E183 Q184 W188 F189 Q190 F239 F242 M243	H182-L186 WeakPolarHBondContact O-CG 3.35Å; H182-L186 PolarHBondContact O-N 2.97Å; E183-L186 WeakPolarHBondContact O-CB 3.36Å; E183-L186 PolarHBondContact O-N 3.47Å; E183-L186 VanDerWaalsContact O-N 3.11Å; Q184-L186 VanDerWaalsContact C-N 3.33Å; L186-W188 VanDerWaalsContact C-N 3.29Å; L186-W188 PolarHBondContact O-N 2.96Å; L186-F189 WeakPolarHBondContact O-CB 3.36Å; L186-F189 PolarHBondContact O-N 3.14Å; L186-Q190 WeakPolarHBondContact O-CG 3.3Å; L186-Q190 PolarHBondContact O-N 3.03Å; L186-F239 HydrophobicContact CD2-CE2 3.45Å; L186-F239 VanDerWaalsContact CD2-CE2 3.45Å; L186-F239 HydrophobicContact CD2-CZ 3.61Å; L186-F242 HydrophobicContact CD2-CE1 4.3Å; L186-M243 HydrophobicContact CD2-SD 3.77Å
187	E	87.8	Confident	88.7	Confident	30 Å²	30	61.7 Å²	61.7	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-42	177.5	-75.7	-73.2	128.6	0	0	111	N150 E183 Q184 Q190 R191	N150-E187 PolarHBondContact ND2-OE2 3.03Å; E183-E187 HydrophobicContact CG-CG 4.39Å; E183-E187 WeakPolarHBondContact O-CG 3.45Å; E183-E187 PolarHBondContact O-N 2.79Å; Q184-E187 PolarHBondContact O-N 3.32Å; E187-Q190 PolarHBondContact O-N 2.82Å; E187-R191 WeakPolarHBondContact O-CG 3.28Å; E187-R191 PolarHBondContact O-N 2.94Å
188	W	88.3	Confident	89	Confident	14 Å²	14	63.1 Å²	63.1	5%	0.053	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-42.7	175.8	-76.4	42.8	0	0	0	111.9	E147 Q184 L186 Q190 R191 F192 Q207 I208 N211	E147-W188 HydrophobicContact CB-CH2 4.14Å; E147-W188 HydrophobicContact CB-CZ2 3.4Å; E147-W188 VanDerWaalsContact CB-CZ2 3.4Å; E147-W188 HydrophobicContact CG-CH2 3.75Å; E147-W188 HydrophobicContact CG-CZ2 3.48Å; E147-W188 VanDerWaalsContact CG-CZ2 3.48Å; Q184-W188 PolarHBondContact O-N 3.27Å; Q184-W188 VanDerWaalsContact O-N 3.12Å; L186-W188 VanDerWaalsContact C-N 3.29Å; L186-W188 PolarHBondContact O-N 2.96Å; W188-Q190 VanDerWaalsContact C-N 3.31Å; W188-Q190 PolarHBondContact O-N 2.96Å; W188-R191 PolarHBondContact O-N 2.94Å; W188-F192 HydrophobicContact CB-CE2 4.48Å; W188-F192 AromaticContact CE3-CE2 3.96Å; W188-F192 HydrophobicContact CE3-CE2 3.96Å; W188-F192 WeakPolarHBondContact O-CD2 3.03Å; W188-F192 PolarHBondContact O-N 2.97Å; W188-Q207 HydrophobicContact CZ3-CG 4.41Å; W188-I208 HydrophobicContact CB-CD1 4.16Å; W188-I208 HydrophobicContact CB-CG1 3.86Å; W188-I208 HydrophobicContact CB-CG2 4.37Å; W188-I208 HydrophobicContact CE3-CB 4.37Å; W188-I208 HydrophobicContact CE3-CG1 3.92Å; W188-N211 HydrophobicContact CH2-CB 3.51Å; W188-N211 HydrophobicContact CZ3-CB 3.79Å
189	F	92.5	Very high	89.5	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-49.1	174.9	-175.6	-78.5	0	0	0	110.8	A185 L186 R191 F192 D193 I200 I208 F239 F242	A185-F189 PolarHBondContact O-N 3.46Å; L186-F189 WeakPolarHBondContact O-CB 3.36Å; L186-F189 PolarHBondContact O-N 3.14Å; F189-R191 VanDerWaalsContact C-N 3.34Å; F189-R191 PolarHBondContact O-N 3.09Å; F189-F192 PolarHBondContact O-N 2.96Å; F189-D193 HydrophobicContact CD1-CB 4.45Å; F189-D193 HydrophobicContact CE1-CB 4.17Å; F189-D193 WeakPolarHBondContact O-CB 3.27Å; F189-D193 PolarHBondContact O-N 3.13Å; F189-I200 HydrophobicContact CD1-CG2 4.44Å; F189-I200 HydrophobicContact CD2-CD1 3.64Å; F189-I200 HydrophobicContact CD2-CG1 4Å; F189-I200 HydrophobicContact CD2-CG2 3.98Å; F189-I200 HydrophobicContact CE1-CG2 4.34Å; F189-I200 HydrophobicContact CE2-CB 4.36Å; F189-I200 HydrophobicContact CE2-CD1 3.91Å; F189-I200 HydrophobicContact CE2-CG1 3.73Å; F189-I200 HydrophobicContact CE2-CG2 3.88Å; F189-I200 HydrophobicContact CG-CG2 4.25Å; F189-I200 HydrophobicContact CZ-CG2 4.06Å; F189-I208 HydrophobicContact CB-CD1 4.39Å; F189-F239 AromaticContact CD1-CD2 3.78Å; F189-F239 HydrophobicContact CD1-CD2 3.78Å; F189-F239 HydrophobicContact CD1-CE2 4.44Å; F189-F239 HydrophobicContact CD2-CD2 4.3Å; F189-F239 HydrophobicContact CE1-CB 3.92Å; F189-F239 AromaticContact CE1-CD2 3.71Å; F189-F239 HydrophobicContact CE1-CD2 3.71Å; F189-F239 HydrophobicContact CE1-CG 4.26Å; F189-F239 HydrophobicContact CE2-CB 4.31Å; F189-F239 HydrophobicContact CE2-CD2 4.21Å; F189-F239 HydrophobicContact CG-CD2 4.11Å; F189-F239 HydrophobicContact CZ-CB 3.63Å; F189-F239 AromaticContact CZ-CD2 3.93Å; F189-F239 HydrophobicContact CZ-CD2 3.93Å; F189-F239 HydrophobicContact CZ-CG 4.31Å; F189-F242 HydrophobicContact CB-CE1 4.47Å; F189-F242 HydrophobicContact CB-CZ 4.48Å; F189-F242 HydrophobicContact CD2-CB 4.1Å; F189-F242 HydrophobicContact CD2-CD1 4.07Å; F189-F242 HydrophobicContact CD2-CD2 4Å; F189-F242 HydrophobicContact CD2-CE2 4.46Å; F189-F242 AromaticContact CD2-CG 3.79Å; F189-F242 HydrophobicContact CD2-CG 3.79Å; F189-F242 HydrophobicContact CE2-CB 3.99Å; F189-F242 HydrophobicContact CE2-CG 4.2Å
190	Q	91	Very high	89.8	Confident	123 Å²	123	56.9 Å²	56.9	58%	0.575	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-39.4	179.3	-68.9	179.2	23	0	0	112.5	L186 E187 W188 D193	L186-Q190 WeakPolarHBondContact O-CG 3.3Å; L186-Q190 PolarHBondContact O-N 3.03Å; E187-Q190 PolarHBondContact O-N 2.82Å; W188-Q190 VanDerWaalsContact C-N 3.31Å; W188-Q190 PolarHBondContact O-N 2.96Å; Q190-D193 CarbonylContact O-C 3.56Å; Q190-D193 PolarHBondContact O-N 3.34Å
191	R	88.9	Confident	90.2	Very high	103 Å²	103	58.8 Å²	58.8	39%	0.389	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-39.1	176.4	-75.5	179.1	179.9	-168.5	3.5	112.6	E147 E187 W188 F189 K194	E147-R191 IonicContact OE2-NH1 3.63Å; E147-R191 PolarHBondContact OE2-NH1 3.35Å; E187-R191 WeakPolarHBondContact O-CG 3.28Å; E187-R191 PolarHBondContact O-N 2.94Å; W188-R191 PolarHBondContact O-N 2.94Å; F189-R191 VanDerWaalsContact C-N 3.34Å; F189-R191 PolarHBondContact O-N 3.09Å; R191-K194 WeakPolarHBondContact O-CG 3.38Å
192	F	92	Very high	90.8	Very high	52 Å²	52	58.8 Å²	58.8	23%	0.228	29%	0.294	C	S	.	.	H	α-helix	trans	-77.1	-29.3	177.3	-72.8	-59.4	0	0	0	112.8	W188 F189 K194 I200 H204 I208	W188-F192 HydrophobicContact CB-CE2 4.48Å; W188-F192 AromaticContact CE3-CE2 3.96Å; W188-F192 HydrophobicContact CE3-CE2 3.96Å; W188-F192 WeakPolarHBondContact O-CD2 3.03Å; W188-F192 PolarHBondContact O-N 2.97Å; F189-F192 PolarHBondContact O-N 2.96Å; F192-K194 PolarHBondContact O-N 3.49Å; F192-I200 HydrophobicContact CB-CB 4.45Å; F192-I200 HydrophobicContact CB-CG2 3.8Å; F192-H204 HydrophobicContact CB-CB 4.21Å; F192-H204 HydrophobicContact CD1-CB 4.12Å; F192-H204 AromaticContact CD1-CD2 3.81Å; F192-H204 AromaticContact CD1-CE1 3.77Å; F192-H204 AromaticContact CD1-CG 3.59Å; F192-H204 AromaticContact CD1-ND1 3.56Å; F192-H204 AromaticContact CD1-NE2 3.95Å; F192-H204 HydrophobicContact CD2-CB 4.12Å; F192-H204 AromaticContact CE1-CD2 3.86Å; F192-H204 HydrophobicContact CG-CB 3.9Å; F192-H204 AromaticContact CG-CG 3.85Å; F192-H204 AromaticContact CG-ND1 3.86Å; F192-I208 HydrophobicContact CD2-CD1 3.98Å; F192-I208 HydrophobicContact CD2-CG1 4.01Å; F192-I208 HydrophobicContact CE2-CD1 4.44Å; F192-I208 HydrophobicContact CE2-CG1 3.95Å
193	D	93.7	Very high	91.3	Very high	18 Å²	18	58.8 Å²	58.8	10%	0.096	31%	0.306	C	S	.	.			trans	-82.1	58.2	173.2	-173.2	20.3	0	0	0	112.3	F189 Q190 A195 K196 K197 G198 I200	F189-D193 HydrophobicContact CD1-CB 4.45Å; F189-D193 HydrophobicContact CE1-CB 4.17Å; F189-D193 WeakPolarHBondContact O-CB 3.27Å; F189-D193 PolarHBondContact O-N 3.13Å; Q190-D193 CarbonylContact O-C 3.56Å; Q190-D193 PolarHBondContact O-N 3.34Å; D193-A195 PolarHBondContact O-N 3.5Å; D193-A195 VanDerWaalsContact O-N 3.1Å; D193-K196 PolarHBondContact O-N 3.34Å; D193-K196 WeakPolarHBondContact OD1-CA 3.48Å; D193-K196 PolarHBondContact OD1-N 3Å; D193-K196 VanDerWaalsContact OD1-N 3.15Å; D193-K196 WeakPolarHBondContact OD2-CA 3.2Å; D193-K197 PolarHBondContact OD1-N 2.83Å; D193-K197 PolarHBondContact OD2-N 3.22Å; D193-K197 VanDerWaalsContact OD2-N 3.16Å; D193-G198 VanDerWaalsContact OD2-CA 3.3Å; D193-G198 WeakPolarHBondContact OD2-CA 3.11Å; D193-G198 PolarHBondContact OD2-N 2.94Å; D193-I200 HydrophobicContact CB-CG2 4.07Å
194	K	90.3	Very high	91.6	Very high	193 Å²	193	60.5 Å²	60.5	84%	0.839	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.6	-179.3	-63.7	-175.9	-179.8	-180	0	113.3	R191 F192 K196	R191-K194 WeakPolarHBondContact O-CG 3.38Å; F192-K194 PolarHBondContact O-N 3.49Å; K194-K196 VanDerWaalsContact C-N 3.32Å
195	A	91.3	Very high	92.1	Very high	68 Å²	68	59.9 Å²	59.9	56%	0.562	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.7	-179.7	0	0	0	0	0	113.3	D193 K197	D193-A195 PolarHBondContact O-N 3.5Å; D193-A195 VanDerWaalsContact O-N 3.1Å; A195-K197 HydrophobicContact CB-CD 4.08Å; A195-K197 HydrophobicContact CB-CG 3.88Å; A195-K197 PolarHBondContact O-N 3.16Å
196	K	92	Very high	92.3	Very high	189 Å²	189	60.7 Å²	60.7	82%	0.822	32%	0.316	S	S	*	.			trans	51.5	40.8	-177.4	-58.2	-174.4	178.3	-176.1	0	112.8	D193 K194 G198	D193-K196 PolarHBondContact O-N 3.34Å; D193-K196 WeakPolarHBondContact OD1-CA 3.48Å; D193-K196 PolarHBondContact OD1-N 3Å; D193-K196 VanDerWaalsContact OD1-N 3.15Å; D193-K196 WeakPolarHBondContact OD2-CA 3.2Å; K194-K196 VanDerWaalsContact C-N 3.32Å; K196-G198 VanDerWaalsContact C-N 3.3Å
197	K	92.9	Very high	92.3	Very high	175 Å²	175	63.2 Å²	63.2	76%	0.761	33%	0.327	S	S	*	.	S	Bend	trans	-84.4	-8.7	179.1	-69.8	-178.2	178.8	-177.8	0	112.4	D193 A195 A199	D193-K197 PolarHBondContact OD1-N 2.83Å; D193-K197 PolarHBondContact OD2-N 3.22Å; D193-K197 VanDerWaalsContact OD2-N 3.16Å; A195-K197 HydrophobicContact CB-CD 4.08Å; A195-K197 HydrophobicContact CB-CG 3.88Å; A195-K197 PolarHBondContact O-N 3.16Å; K197-A199 VanDerWaalsContact C-N 3.32Å
198	G	94.3	Very high	92.4	Very high	30 Å²	30	61.8 Å²	61.8	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	73.6	24.3	-171.2	0	0	0	0	0	112.7	D193 K196 T238 F239	D193-G198 VanDerWaalsContact OD2-CA 3.3Å; D193-G198 WeakPolarHBondContact OD2-CA 3.11Å; D193-G198 PolarHBondContact OD2-N 2.94Å; K196-G198 VanDerWaalsContact C-N 3.3Å; G198-T238 CarbonylContact O-C 3.5Å; G198-T238 WeakPolarHBondContact O-CA 3.36Å; G198-F239 PolarHBondContact O-N 3.44Å
199	A	95.4	Very high	92.6	Very high	29 Å²	29	61.1 Å²	61.1	24%	0.24	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.6	-179.1	0	0	0	0	0	112.6	K197 V237 T238	K197-A199 VanDerWaalsContact C-N 3.32Å; A199-V237 WeakPolarHBondContact CA-O 3.45Å; A199-T238 HydrophobicContact CB-CG2 4.44Å
200	I	95.9	Very high	92.3	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	166.5	175.8	61.8	173.9	0	0	0	110.4	F189 F192 D193 H204 F205 I208 S236 V237	F189-I200 HydrophobicContact CD1-CG2 4.44Å; F189-I200 HydrophobicContact CD2-CD1 3.64Å; F189-I200 HydrophobicContact CD2-CG1 4Å; F189-I200 HydrophobicContact CD2-CG2 3.98Å; F189-I200 HydrophobicContact CE1-CG2 4.34Å; F189-I200 HydrophobicContact CE2-CB 4.36Å; F189-I200 HydrophobicContact CE2-CD1 3.91Å; F189-I200 HydrophobicContact CE2-CG1 3.73Å; F189-I200 HydrophobicContact CE2-CG2 3.88Å; F189-I200 HydrophobicContact CG-CG2 4.25Å; F189-I200 HydrophobicContact CZ-CG2 4.06Å; F192-I200 HydrophobicContact CB-CB 4.45Å; F192-I200 HydrophobicContact CB-CG2 3.8Å; D193-I200 HydrophobicContact CB-CG2 4.07Å; I200-H204 HydrophobicContact CB-CB 4.37Å; I200-H204 HydrophobicContact CD1-CB 4.44Å; I200-F205 HydrophobicContact CD1-CB 3.99Å; I200-F205 HydrophobicContact CG1-CB 4.46Å; I200-I208 HydrophobicContact CD1-CD1 3.51Å; I200-S236 CarbonylContact O-C 3.47Å; I200-S236 WeakPolarHBondContact O-CA 3.39Å; I200-S236 WeakPolarHBondContact O-CB 3.29Å; I200-V237 HydrophobicContact CG1-CB 4.33Å; I200-V237 PolarHBondContact N-O 2.93Å; I200-V237 PolarHBondContact O-N 3.31Å
201	S	95.2	Very high	91.9	Very high	41 Å²	41	60.2 Å²	60.2	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	153.9	173.1	68.4	0	0	0	0	111.1	A203 H204 F205	S201-A203 PolarHBondContact O-N 3.43Å; S201-H204 PolarHBondContact O-N 2.99Å; S201-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 PolarHBondContact OG-N 2.84Å; S201-H204 VanDerWaalsContact OG-N 3.13Å; S201-H204 PolarHBondContact OG-ND1 3.34Å; S201-F205 PolarHBondContact O-N 3.4Å
202	A	93.5	Very high	91.6	Very high	15 Å²	15	55.6 Å²	55.6	12%	0.124	30%	0.3	C	S	.	.	H	α-helix	trans	-57.5	-34.7	173.3	0	0	0	0	0	112.3	F205 C206 F229 Q235	A202-F205 WeakPolarHBondContact O-CB 3.42Å; A202-F205 PolarHBondContact O-N 3.48Å; A202-C206 PolarHBondContact O-N 2.92Å; A202-C206 PolarHBondContact O-SG 3.41Å; A202-C206 VanDerWaalsContact O-SG 3.36Å; A202-F229 HydrophobicContact CB-CB 3.98Å; A202-F229 HydrophobicContact CB-CD2 4.3Å; A202-F229 HydrophobicContact CB-CG 4.01Å; A202-Q235 PolarHBondContact N-O 3.48Å
203	A	92.8	Very high	91.2	Very high	70 Å²	70	53.5 Å²	53.5	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-63.4	-45.6	175	0	0	0	0	0	112.4	S201 F205 C206 Q207	S201-A203 PolarHBondContact O-N 3.43Å; A203-F205 VanDerWaalsContact C-N 3.32Å; A203-C206 PolarHBondContact O-N 3.04Å; A203-Q207 PolarHBondContact O-N 2.91Å
204	H	93.9	Very high	90.5	Very high	67 Å²	67	53.1 Å²	53.1	31%	0.31	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-37.6	175.2	-65.9	162	0	0	0	111.3	F192 I200 S201 Q207 I208	F192-H204 HydrophobicContact CB-CB 4.21Å; F192-H204 HydrophobicContact CD1-CB 4.12Å; F192-H204 AromaticContact CD1-CD2 3.81Å; F192-H204 AromaticContact CD1-CE1 3.77Å; F192-H204 AromaticContact CD1-CG 3.59Å; F192-H204 AromaticContact CD1-ND1 3.56Å; F192-H204 AromaticContact CD1-NE2 3.95Å; F192-H204 HydrophobicContact CD2-CB 4.12Å; F192-H204 AromaticContact CE1-CD2 3.86Å; F192-H204 HydrophobicContact CG-CB 3.9Å; F192-H204 AromaticContact CG-CG 3.85Å; F192-H204 AromaticContact CG-ND1 3.86Å; I200-H204 HydrophobicContact CB-CB 4.37Å; I200-H204 HydrophobicContact CD1-CB 4.44Å; S201-H204 PolarHBondContact O-N 2.99Å; S201-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 PolarHBondContact OG-N 2.84Å; S201-H204 VanDerWaalsContact OG-N 3.13Å; S201-H204 PolarHBondContact OG-ND1 3.34Å; H204-Q207 WeakPolarHBondContact O-CB 3.44Å; H204-Q207 PolarHBondContact O-N 3.32Å; H204-I208 VanDerWaalsContact O-CG1 3.32Å; H204-I208 WeakPolarHBondContact O-CG1 3.44Å; H204-I208 PolarHBondContact O-N 3.45Å
205	F	94.4	Very high	89.8	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-51.8	173.2	176.9	-84.1	0	0	0	111.6	I200 S201 A202 A203 Q207 I208 M209 L225 F229 V237 F242 F245	I200-F205 HydrophobicContact CD1-CB 3.99Å; I200-F205 HydrophobicContact CG1-CB 4.46Å; S201-F205 PolarHBondContact O-N 3.4Å; A202-F205 WeakPolarHBondContact O-CB 3.42Å; A202-F205 PolarHBondContact O-N 3.48Å; A203-F205 VanDerWaalsContact C-N 3.32Å; F205-Q207 PolarHBondContact O-N 2.99Å; F205-I208 PolarHBondContact O-N 2.77Å; F205-I208 VanDerWaalsContact O-N 3.12Å; F205-M209 HydrophobicContact CD1-CG 3.86Å; F205-M209 HydrophobicContact CE1-CB 4.39Å; F205-M209 HydrophobicContact CE1-CG 3.3Å; F205-M209 HydrophobicContact CE1-SD 4.38Å; F205-M209 HydrophobicContact CE2-CG 4.06Å; F205-M209 HydrophobicContact CE2-SD 4.25Å; F205-M209 HydrophobicContact CG-CG 4.45Å; F205-M209 HydrophobicContact CZ-CG 3.41Å; F205-M209 VanDerWaalsContact CZ-CG 3.41Å; F205-M209 HydrophobicContact CZ-SD 3.89Å; F205-M209 WeakPolarHBondContact O-CG 3.05Å; F205-M209 PolarHBondContact O-N 3.4Å; F205-L225 HydrophobicContact CE1-CD2 3.97Å; F205-F229 HydrophobicContact CD1-CD2 4.36Å; F205-F229 AromaticContact CD1-CE2 3.2Å; F205-F229 HydrophobicContact CD1-CE2 3.2Å; F205-F229 AromaticContact CD1-CZ 3.32Å; F205-F229 HydrophobicContact CD1-CZ 3.32Å; F205-F229 HydrophobicContact CD2-CZ 4.47Å; F205-F229 AromaticContact CE1-CE2 3.42Å; F205-F229 HydrophobicContact CE1-CE2 3.42Å; F205-F229 VanDerWaalsContact CE1-CE2 3.42Å; F205-F229 AromaticContact CE1-CZ 3.32Å; F205-F229 HydrophobicContact CE1-CZ 3.32Å; F205-F229 HydrophobicContact CE2-CZ 4.49Å; F205-F229 HydrophobicContact CG-CE2 4.12Å; F205-F229 AromaticContact CG-CZ 3.94Å; F205-F229 HydrophobicContact CG-CZ 3.94Å; F205-F229 HydrophobicContact CZ-CE2 4.46Å; F205-F229 AromaticContact CZ-CZ 3.96Å; F205-F229 HydrophobicContact CZ-CZ 3.96Å; F205-V237 HydrophobicContact CB-CB 4.28Å; F205-V237 HydrophobicContact CB-CG2 3.89Å; F205-V237 HydrophobicContact CD2-CB 4.1Å; F205-V237 HydrophobicContact CD2-CG1 3.64Å; F205-V237 HydrophobicContact CD2-CG2 4.14Å; F205-V237 HydrophobicContact CE2-CG1 4.08Å; F205-V237 HydrophobicContact CG-CB 4.39Å; F205-V237 HydrophobicContact CG-CG1 4.34Å; F205-V237 HydrophobicContact CG-CG2 4Å; F205-F242 AromaticContact CD2-CD2 3.64Å; F205-F242 HydrophobicContact CD2-CD2 3.64Å; F205-F242 HydrophobicContact CD2-CE2 4.4Å; F205-F242 HydrophobicContact CE2-CB 4.35Å; F205-F242 AromaticContact CE2-CD2 3.55Å; F205-F242 HydrophobicContact CE2-CD2 3.55Å; F205-F242 HydrophobicContact CE2-CE2 4.31Å; F205-F242 HydrophobicContact CE2-CG 4.37Å; F205-F245 HydrophobicContact CE1-CD1 4.36Å; F205-F245 HydrophobicContact CE1-CD2 4.5Å; F205-F245 HydrophobicContact CE1-CE1 4.33Å; F205-F245 HydrophobicContact CE1-CE2 4.47Å; F205-F245 HydrophobicContact CE1-CG 4.44Å; F205-F245 HydrophobicContact CE1-CZ 4.38Å; F205-F245 HydrophobicContact CE2-CB 4.36Å; F205-F245 HydrophobicContact CE2-CG 4.46Å; F205-F245 HydrophobicContact CZ-CB 3.97Å; F205-F245 AromaticContact CZ-CD1 3.66Å; F205-F245 HydrophobicContact CZ-CD1 3.66Å; F205-F245 HydrophobicContact CZ-CD2 4.01Å; F205-F245 HydrophobicContact CZ-CE1 4.06Å; F205-F245 HydrophobicContact CZ-CE2 4.39Å; F205-F245 AromaticContact CZ-CG 3.61Å; F205-F245 HydrophobicContact CZ-CG 3.61Å; F205-F245 HydrophobicContact CZ-CZ 4.41Å
206	C	92.6	Very high	89.2	Confident	18 Å²	18	43.1 Å²	43.1	12%	0.122	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-39.3	177.5	-69.2	0	0	0	0	111.5	A202 A203 M209 I210	A202-C206 PolarHBondContact O-N 2.92Å; A202-C206 PolarHBondContact O-SG 3.41Å; A202-C206 VanDerWaalsContact O-SG 3.36Å; A203-C206 PolarHBondContact O-N 3.04Å; C206-M209 PolarHBondContact O-N 2.85Å; C206-I210 WeakPolarHBondContact O-CB 3.2Å; C206-I210 VanDerWaalsContact O-CG1 3.24Å; C206-I210 WeakPolarHBondContact O-CG1 3.48Å; C206-I210 PolarHBondContact O-N 2.91Å
207	Q	90	Very high	88.9	Confident	79 Å²	79	34.4 Å²	34.4	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-62.1	-43.5	176	-170.8	179.7	-0.3	0	0	112.3	W188 A203 H204 F205 N211	W188-Q207 HydrophobicContact CZ3-CG 4.41Å; A203-Q207 PolarHBondContact O-N 2.91Å; H204-Q207 WeakPolarHBondContact O-CB 3.44Å; H204-Q207 PolarHBondContact O-N 3.32Å; F205-Q207 PolarHBondContact O-N 2.99Å; Q207-N211 WeakPolarHBondContact CG-ND2 3.2Å; Q207-N211 VanDerWaalsContact O-CB 3.27Å; Q207-N211 WeakPolarHBondContact O-CB 3.32Å; Q207-N211 PolarHBondContact O-N 3.07Å; Q207-N211 VanDerWaalsContact O-N 3.08Å; Q207-N211 PolarHBondContact O-ND2 3.42Å; Q207-N211 VanDerWaalsContact O-ND2 3.13Å
208	I	90.4	Very high	88.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-50.7	174.6	-62.2	168	0	0	0	109.8	A185 W188 F189 F192 I200 H204 F205 I210 N211 A212 K213 F242	A185-I208 HydrophobicContact CB-CG2 4.21Å; W188-I208 HydrophobicContact CB-CD1 4.16Å; W188-I208 HydrophobicContact CB-CG1 3.86Å; W188-I208 HydrophobicContact CB-CG2 4.37Å; W188-I208 HydrophobicContact CE3-CB 4.37Å; W188-I208 HydrophobicContact CE3-CG1 3.92Å; F189-I208 HydrophobicContact CB-CD1 4.39Å; F192-I208 HydrophobicContact CD2-CD1 3.98Å; F192-I208 HydrophobicContact CD2-CG1 4.01Å; F192-I208 HydrophobicContact CE2-CD1 4.44Å; F192-I208 HydrophobicContact CE2-CG1 3.95Å; I200-I208 HydrophobicContact CD1-CD1 3.51Å; H204-I208 VanDerWaalsContact O-CG1 3.32Å; H204-I208 WeakPolarHBondContact O-CG1 3.44Å; H204-I208 PolarHBondContact O-N 3.45Å; F205-I208 PolarHBondContact O-N 2.77Å; F205-I208 VanDerWaalsContact O-N 3.12Å; I208-I210 VanDerWaalsContact C-N 3.35Å; I208-I210 PolarHBondContact O-N 3.3Å; I208-N211 PolarHBondContact O-N 2.98Å; I208-A212 HydrophobicContact CG2-CB 4.37Å; I208-A212 WeakPolarHBondContact O-CB 3.41Å; I208-A212 PolarHBondContact O-N 2.87Å; I208-K213 PolarHBondContact O-N 3.48Å; I208-F242 HydrophobicContact CB-CE2 4.49Å; I208-F242 HydrophobicContact CD1-CE2 4.14Å; I208-F242 HydrophobicContact CG2-CE2 3.88Å; I208-F242 HydrophobicContact CG2-CZ 4.16Å
209	M	90.6	Very high	87.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-40.4	-175	-67.6	-49.7	-61.1	0	0	112.3	F205 C206 K213 G214 L217 L225 F242 F245 L249	F205-M209 HydrophobicContact CD1-CG 3.86Å; F205-M209 HydrophobicContact CE1-CB 4.39Å; F205-M209 HydrophobicContact CE1-CG 3.3Å; F205-M209 HydrophobicContact CE1-SD 4.38Å; F205-M209 HydrophobicContact CE2-CG 4.06Å; F205-M209 HydrophobicContact CE2-SD 4.25Å; F205-M209 HydrophobicContact CG-CG 4.45Å; F205-M209 HydrophobicContact CZ-CG 3.41Å; F205-M209 VanDerWaalsContact CZ-CG 3.41Å; F205-M209 HydrophobicContact CZ-SD 3.89Å; F205-M209 WeakPolarHBondContact O-CG 3.05Å; F205-M209 PolarHBondContact O-N 3.4Å; C206-M209 PolarHBondContact O-N 2.85Å; M209-K213 HydrophobicContact CE-CB 3.72Å; M209-K213 HydrophobicContact CE-CG 4.24Å; M209-K213 CarbonylContact O-C 3.45Å; M209-K213 WeakPolarHBondContact O-CA 3.2Å; M209-K213 WeakPolarHBondContact O-CB 3.41Å; M209-K213 PolarHBondContact O-N 3.04Å; M209-K213 HydrophobicContact SD-CB 4.25Å; M209-K213 HydrophobicContact SD-CG 4.36Å; M209-G214 WeakPolarHBondContact O-CA 3.34Å; M209-G214 PolarHBondContact O-N 3.41Å; M209-L217 HydrophobicContact CB-CD1 4.21Å; M209-L217 HydrophobicContact CE-CD2 3.92Å; M209-L217 WeakPolarHBondContact O-CD1 3.44Å; M209-L225 HydrophobicContact CB-CD1 3.92Å; M209-F242 HydrophobicContact SD-CE2 4.5Å; M209-F245 HydrophobicContact CE-CD1 3.92Å; M209-F245 HydrophobicContact CE-CE1 3.92Å; M209-F245 HydrophobicContact SD-CD1 4.43Å; M209-L249 HydrophobicContact CE-CD1 3.73Å
210	I	86.5	Confident	87.4	Confident	73 Å²	73	31 Å²	31	37%	0.374	17%	0.172	S	C	.	.	H	α-helix	trans	-74	-40.7	-179.3	-67.4	167.7	0	0	0	111.6	C206 I208 G214 L217 L225	C206-I210 WeakPolarHBondContact O-CB 3.2Å; C206-I210 VanDerWaalsContact O-CG1 3.24Å; C206-I210 WeakPolarHBondContact O-CG1 3.48Å; C206-I210 PolarHBondContact O-N 2.91Å; I208-I210 VanDerWaalsContact C-N 3.35Å; I208-I210 PolarHBondContact O-N 3.3Å; I210-G214 VanDerWaalsContact O-CA 3.28Å; I210-G214 WeakPolarHBondContact O-CA 3.48Å; I210-L217 HydrophobicContact CG1-CD1 4.3Å; I210-L225 HydrophobicContact CG1-CD1 4.16Å
211	N	83.8	Confident	87.1	Confident	37 Å²	37	30.6 Å²	30.6	20%	0.198	17%	0.17	C	C	.	.	H	α-helix	trans	-91.4	-36.8	-171.7	-66.4	-39.7	0	0	0	114.4	S143 R146 W188 Q207 I208	S143-N211 PolarHBondContact OG-O 3.3Å; R146-N211 PolarHBondContact NH1-OD1 3Å; W188-N211 HydrophobicContact CH2-CB 3.51Å; W188-N211 HydrophobicContact CZ3-CB 3.79Å; Q207-N211 WeakPolarHBondContact CG-ND2 3.2Å; Q207-N211 VanDerWaalsContact O-CB 3.27Å; Q207-N211 WeakPolarHBondContact O-CB 3.32Å; Q207-N211 PolarHBondContact O-N 3.07Å; Q207-N211 VanDerWaalsContact O-N 3.08Å; Q207-N211 PolarHBondContact O-ND2 3.42Å; Q207-N211 VanDerWaalsContact O-ND2 3.13Å; I208-N211 PolarHBondContact O-N 2.98Å
212	A	81.2	Confident	86.7	Confident	5 Å²	5	33.5 Å²	33.5	4%	0.041	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-38.2	-179.6	0	0	0	0	0	111.9	I208	I208-A212 HydrophobicContact CG2-CB 4.37Å; I208-A212 WeakPolarHBondContact O-CB 3.41Å; I208-A212 PolarHBondContact O-N 2.87Å
213	K	83.9	Confident	86.5	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.035	19%	0.193	C	C	.	.	S	Bend	trans	-112	14.7	-174.8	-64.6	-77.7	-175.9	175.6	0	113.3	H181 A185 I208 M209 H215 M216	H181-K213 WeakPolarHBondContact O-CE 3.22Å; H181-K213 PolarHBondContact O-NZ 3.38Å; A185-K213 HydrophobicContact CB-CG 4.18Å; I208-K213 PolarHBondContact O-N 3.48Å; M209-K213 HydrophobicContact CE-CB 3.72Å; M209-K213 HydrophobicContact CE-CG 4.24Å; M209-K213 CarbonylContact O-C 3.45Å; M209-K213 WeakPolarHBondContact O-CA 3.2Å; M209-K213 WeakPolarHBondContact O-CB 3.41Å; M209-K213 PolarHBondContact O-N 3.04Å; M209-K213 HydrophobicContact SD-CB 4.25Å; M209-K213 HydrophobicContact SD-CG 4.36Å; K213-H215 PolarHBondContact O-N 2.87Å; K213-M216 HydrophobicContact CD-SD 3.53Å; K213-M216 VanDerWaalsContact CD-SD 3.53Å; K213-M216 WeakPolarHBondContact O-CB 3.44Å; K213-M216 PolarHBondContact O-N 3.39Å
214	G	79.6	Confident	86.3	Confident	10 Å²	10	35.2 Å²	35.2	10%	0.103	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.2	-171.2	0	0	0	0	0	114.2	M209 I210 L217 R222	M209-G214 WeakPolarHBondContact O-CA 3.34Å; M209-G214 PolarHBondContact O-N 3.41Å; I210-G214 VanDerWaalsContact O-CA 3.28Å; I210-G214 WeakPolarHBondContact O-CA 3.48Å; G214-L217 PolarHBondContact O-N 3.05Å; G214-R222 PolarHBondContact O-NH2 2.89Å
215	H	76.4	Confident	86.2	Confident	31 Å²	31	32.1 Å²	32.1	14%	0.144	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.4	177.5	67.8	-89.3	0	0	0	114.1	K213 S675	K213-H215 PolarHBondContact O-N 2.87Å; H215-S675 WeakPolarHBondContact CB-O 3.34Å; H215-S675 PolarHBondContact CD2-O 3.29Å
216	M	79	Confident	85.9	Confident	20 Å²	20	35.1 Å²	35.1	10%	0.099	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11	173	-65	175.9	50	0	0	112.8	K213 L249 D250 P318	K213-M216 HydrophobicContact CD-SD 3.53Å; K213-M216 VanDerWaalsContact CD-SD 3.53Å; K213-M216 WeakPolarHBondContact O-CB 3.44Å; K213-M216 PolarHBondContact O-N 3.39Å; M216-L249 HydrophobicContact CB-CD1 4.46Å; M216-L249 HydrophobicContact CE-CB 3.53Å; M216-L249 HydrophobicContact CE-CD1 4.36Å; M216-D250 WeakPolarHBondContact CE-OD1 3.34Å; M216-P318 WeakPolarHBondContact O-CG 3.31Å
217	L	83.9	Confident	85.7	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	20%	0.2	C	C	.	.			trans	-89.4	126.9	-177	-54.1	-177.7	0	0	0	110.3	M209 I210 G214 V221 R222 L225 L249	M209-L217 HydrophobicContact CB-CD1 4.21Å; M209-L217 HydrophobicContact CE-CD2 3.92Å; M209-L217 WeakPolarHBondContact O-CD1 3.44Å; I210-L217 HydrophobicContact CG1-CD1 4.3Å; G214-L217 PolarHBondContact O-N 3.05Å; L217-V221 HydrophobicContact CD2-CG1 3.79Å; L217-R222 HydrophobicContact CB-CB 4.21Å; L217-R222 HydrophobicContact CD1-CB 4.4Å; L217-L225 HydrophobicContact CD1-CD1 3.64Å; L217-L225 HydrophobicContact CD2-CD1 4.48Å; L217-L249 HydrophobicContact CD2-CD1 3.62Å
218	S	84.5	Confident	85.7	Confident	5 Å²	5	34.4 Å²	34.4	4%	0.035	18%	0.182	C	C	.	.			trans	-65.2	160.6	162.2	80.9	0	0	0	0	110.9	F220 V221 R222 R315 H317	S218-F220 PolarHBondContact O-N 2.86Å; S218-F220 PolarHBondContact OG-N 3.39Å; S218-V221 PolarHBondContact O-N 3.23Å; S218-V221 VanDerWaalsContact O-N 3.15Å; S218-V221 WeakPolarHBondContact OG-CG2 3.48Å; S218-V221 PolarHBondContact OG-N 3.49Å; S218-R222 VanDerWaalsContact O-CB 3.28Å; S218-R222 WeakPolarHBondContact O-CB 3.31Å; S218-R222 PolarHBondContact O-N 2.79Å; S218-R315 WeakPolarHBondContact CB-O 3.25Å; S218-R315 PolarHBondContact OG-O 3.02Å; S218-H317 WeakPolarHBondContact CB-O 3.49Å
219	E	81.3	Confident	85.7	Confident	123 Å²	123	34.6 Å²	34.6	58%	0.575	18%	0.183	S	C	*	.	H	α-helix	trans	-58.7	-36.8	175.4	-170.9	59.6	-165.2	0	0	111.2	R222 S223	E219-R222 IonicContact OE2-NH1 2.75Å; E219-R222 PolarHBondContact OE2-NH1 3.26Å; E219-R222 VanDerWaalsContact OE2-NH1 3.15Å; E219-S223 WeakPolarHBondContact O-CB 3.24Å; E219-S223 PolarHBondContact O-N 3.19Å; E219-S223 PolarHBondContact O-OG 3.04Å
220	F	85.4	Confident	85.6	Confident	34 Å²	34	42.3 Å²	42.3	15%	0.149	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-51.9	174	175.6	-87.6	0	0	0	111.7	S218 R222 S223 H224 F297 V300 M301 R315 L316	S218-F220 PolarHBondContact O-N 2.86Å; S218-F220 PolarHBondContact OG-N 3.39Å; F220-R222 VanDerWaalsContact C-N 3.32Å; F220-R222 PolarHBondContact O-N 2.65Å; F220-S223 PolarHBondContact O-N 3.43Å; F220-S223 PolarHBondContact O-OG 2.97Å; F220-H224 AromaticContact CD2-CE1 3.41Å; F220-H224 VanDerWaalsContact CD2-CE1 3.41Å; F220-H224 WeakPolarHBondContact CD2-CE1 3.39Å; F220-H224 AromaticContact CD2-ND1 3.4Å; F220-H224 WeakPolarHBondContact CD2-ND1 3.41Å; F220-H224 HydrophobicContact CE1-CB 4.38Å; F220-H224 AromaticContact CE2-CE1 3.38Å; F220-H224 WeakPolarHBondContact CE2-CE1 3.42Å; F220-H224 AromaticContact CE2-CG 3.84Å; F220-H224 AromaticContact CE2-ND1 3.4Å; F220-H224 WeakPolarHBondContact CE2-ND1 3.5Å; F220-H224 AromaticContact CE2-NE2 3.76Å; F220-H224 AromaticContact CG-ND1 3.84Å; F220-H224 HydrophobicContact CZ-CB 4.27Å; F220-H224 AromaticContact CZ-CG 3.88Å; F220-H224 AromaticContact CZ-ND1 3.83Å; F220-H224 WeakPolarHBondContact O-CB 3.11Å; F220-H224 PolarHBondContact O-N 3.46Å; F220-H224 PolarHBondContact O-ND1 3.41Å; F220-F297 HydrophobicContact CE1-CD1 4.14Å; F220-V300 HydrophobicContact CZ-CG1 4.27Å; F220-M301 HydrophobicContact CD1-CE 3.33Å; F220-M301 HydrophobicContact CD2-CE 4.13Å; F220-M301 HydrophobicContact CE1-CE 3.11Å; F220-M301 HydrophobicContact CE1-CG 3.95Å; F220-M301 HydrophobicContact CE1-SD 4.37Å; F220-M301 HydrophobicContact CE2-CE 3.93Å; F220-M301 HydrophobicContact CE2-CG 3.76Å; F220-M301 HydrophobicContact CE2-SD 4.49Å; F220-M301 HydrophobicContact CG-CE 3.87Å; F220-M301 HydrophobicContact CZ-CE 3.44Å; F220-M301 VanDerWaalsContact CZ-CE 3.44Å; F220-M301 HydrophobicContact CZ-CG 3.29Å; F220-M301 HydrophobicContact CZ-SD 4.17Å; F220-R315 HydrophobicContact CB-CB 4.33Å; F220-R315 HydrophobicContact CG-CB 4.31Å; F220-L316 HydrophobicContact CD1-CD2 4.06Å; F220-L316 HydrophobicContact CE1-CD2 4.13Å
221	V	89.8	Confident	85.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-47.1	-179	176.1	0	0	0	0	109.1	L217 S218 S223 H224 L225 F245 F297 L316	L217-V221 HydrophobicContact CD2-CG1 3.79Å; S218-V221 PolarHBondContact O-N 3.23Å; S218-V221 VanDerWaalsContact O-N 3.15Å; S218-V221 WeakPolarHBondContact OG-CG2 3.48Å; S218-V221 PolarHBondContact OG-N 3.49Å; V221-S223 VanDerWaalsContact C-N 3.32Å; V221-S223 PolarHBondContact O-N 3.28Å; V221-H224 PolarHBondContact O-N 3.03Å; V221-L225 HydrophobicContact CG1-CD2 4.34Å; V221-L225 HydrophobicContact CG1-CG 4.14Å; V221-L225 VanDerWaalsContact O-CG 3.25Å; V221-L225 WeakPolarHBondContact O-CG 3.49Å; V221-L225 PolarHBondContact O-N 2.88Å; V221-F245 HydrophobicContact CG1-CZ 4.28Å; V221-F297 HydrophobicContact CG1-CE1 4.33Å; V221-F297 HydrophobicContact CG1-CZ 3.91Å; V221-F297 HydrophobicContact CG2-CE1 4.4Å; V221-F297 HydrophobicContact CG2-CZ 4.39Å; V221-L316 HydrophobicContact CG2-CD2 3.66Å
222	R	88.2	Confident	85.9	Confident	101 Å²	101	44.2 Å²	44.2	38%	0.381	22%	0.221	S	C	.	.	H	α-helix	trans	-54.9	-45	178.6	-175	-176.8	-68.9	154.9	-4.9	112.4	G214 L217 S218 E219 F220	G214-R222 PolarHBondContact O-NH2 2.89Å; L217-R222 HydrophobicContact CB-CB 4.21Å; L217-R222 HydrophobicContact CD1-CB 4.4Å; S218-R222 VanDerWaalsContact O-CB 3.28Å; S218-R222 WeakPolarHBondContact O-CB 3.31Å; S218-R222 PolarHBondContact O-N 2.79Å; E219-R222 IonicContact OE2-NH1 2.75Å; E219-R222 PolarHBondContact OE2-NH1 3.26Å; E219-R222 VanDerWaalsContact OE2-NH1 3.15Å; F220-R222 VanDerWaalsContact C-N 3.32Å; F220-R222 PolarHBondContact O-N 2.65Å
223	S	87.6	Confident	86.2	Confident	72 Å²	72	46.7 Å²	46.7	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-77.4	-27.1	-178.1	69.6	0	0	0	0	113.8	E219 F220 V221	E219-S223 WeakPolarHBondContact O-CB 3.24Å; E219-S223 PolarHBondContact O-N 3.19Å; E219-S223 PolarHBondContact O-OG 3.04Å; F220-S223 PolarHBondContact O-N 3.43Å; F220-S223 PolarHBondContact O-OG 2.97Å; V221-S223 VanDerWaalsContact C-N 3.32Å; V221-S223 PolarHBondContact O-N 3.28Å
224	H	89.6	Confident	86.5	Confident	49 Å²	49	48.4 Å²	48.4	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-104.6	4	-176.4	-59	82.3	0	0	0	113.8	F220 V221 A226 E227 F228 V300	F220-H224 AromaticContact CD2-CE1 3.41Å; F220-H224 VanDerWaalsContact CD2-CE1 3.41Å; F220-H224 WeakPolarHBondContact CD2-CE1 3.39Å; F220-H224 AromaticContact CD2-ND1 3.4Å; F220-H224 WeakPolarHBondContact CD2-ND1 3.41Å; F220-H224 HydrophobicContact CE1-CB 4.38Å; F220-H224 AromaticContact CE2-CE1 3.38Å; F220-H224 WeakPolarHBondContact CE2-CE1 3.42Å; F220-H224 AromaticContact CE2-CG 3.84Å; F220-H224 AromaticContact CE2-ND1 3.4Å; F220-H224 WeakPolarHBondContact CE2-ND1 3.5Å; F220-H224 AromaticContact CE2-NE2 3.76Å; F220-H224 AromaticContact CG-ND1 3.84Å; F220-H224 HydrophobicContact CZ-CB 4.27Å; F220-H224 AromaticContact CZ-CG 3.88Å; F220-H224 AromaticContact CZ-ND1 3.83Å; F220-H224 WeakPolarHBondContact O-CB 3.11Å; F220-H224 PolarHBondContact O-N 3.46Å; F220-H224 PolarHBondContact O-ND1 3.41Å; V221-H224 PolarHBondContact O-N 3.03Å; H224-A226 PolarHBondContact O-N 3.41Å; H224-E227 IonicContact CD2-OE2 3.31Å; H224-E227 PolarHBondContact CD2-OE2 3.12Å; H224-E227 PolarHBondContact O-N 3.22Å; H224-F228 VanDerWaalsContact O-CB 3.31Å; H224-F228 WeakPolarHBondContact O-CB 3.39Å; H224-F228 PolarHBondContact O-N 2.73Å; H224-V300 HydrophobicContact CB-CG1 4.35Å
225	L	90.9	Very high	87	Confident	2 Å²	2	56 Å²	56	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-55.6	-46.5	179.4	-97.8	174.3	0	0	0	112.8	F205 M209 I210 L217 V221 F228 F229 F245	F205-L225 HydrophobicContact CE1-CD2 3.97Å; M209-L225 HydrophobicContact CB-CD1 3.92Å; I210-L225 HydrophobicContact CG1-CD1 4.16Å; L217-L225 HydrophobicContact CD1-CD1 3.64Å; L217-L225 HydrophobicContact CD2-CD1 4.48Å; V221-L225 HydrophobicContact CG1-CD2 4.34Å; V221-L225 HydrophobicContact CG1-CG 4.14Å; V221-L225 VanDerWaalsContact O-CG 3.25Å; V221-L225 WeakPolarHBondContact O-CG 3.49Å; V221-L225 PolarHBondContact O-N 2.88Å; L225-F228 WeakPolarHBondContact O-CB 3.23Å; L225-F229 HydrophobicContact CD2-CE2 4.36Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 PolarHBondContact O-N 3.08Å; L225-F245 HydrophobicContact CD2-CE1 4.08Å; L225-F245 HydrophobicContact CD2-CE2 4.2Å; L225-F245 HydrophobicContact CD2-CZ 3.46Å; L225-F245 VanDerWaalsContact CD2-CZ 3.46Å
226	A	89	Confident	87.8	Confident	64 Å²	64	58 Å²	58	53%	0.529	31%	0.306	S	S	.	.	H	α-helix	trans	-69.4	-44	179.5	0	0	0	0	0	111.7	H224 F228 F229 E230	H224-A226 PolarHBondContact O-N 3.41Å; A226-F228 VanDerWaalsContact C-N 3.28Å; A226-F228 PolarHBondContact O-N 2.94Å; A226-F229 PolarHBondContact O-N 2.87Å; A226-E230 PolarHBondContact O-N 3.45Å
227	E	88.3	Confident	88.6	Confident	83 Å²	83	57.1 Å²	57.1	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-39.9	176.4	-175.8	-175.7	158	0	0	111.6	H224 F229 E230 R231	H224-E227 IonicContact CD2-OE2 3.31Å; H224-E227 PolarHBondContact CD2-OE2 3.12Å; H224-E227 PolarHBondContact O-N 3.22Å; E227-F229 PolarHBondContact O-N 3.46Å; E227-E230 PolarHBondContact O-N 3.33Å; E227-R231 VanDerWaalsContact O-CB 3.23Å; E227-R231 WeakPolarHBondContact O-CB 3.22Å; E227-R231 PolarHBondContact O-N 3.02Å
228	F	90.2	Very high	89.2	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54.7	-49.4	176.2	172.1	-87.1	0	0	0	111.4	H224 L225 A226 H232 M241 F245 I293 N296 F297 V300	H224-F228 VanDerWaalsContact O-CB 3.31Å; H224-F228 WeakPolarHBondContact O-CB 3.39Å; H224-F228 PolarHBondContact O-N 2.73Å; L225-F228 WeakPolarHBondContact O-CB 3.23Å; A226-F228 VanDerWaalsContact C-N 3.28Å; A226-F228 PolarHBondContact O-N 2.94Å; F228-H232 PolarHBondContact O-N 2.92Å; F228-H232 PolarHBondContact O-ND1 3.43Å; F228-M241 HydrophobicContact CE1-CE 4.26Å; F228-M241 HydrophobicContact CZ-CE 4.37Å; F228-F245 HydrophobicContact CE1-CE2 4.41Å; F228-I293 HydrophobicContact CZ-CG2 4.21Å; F228-N296 HydrophobicContact CD2-CB 4.46Å; F228-N296 HydrophobicContact CE2-CB 3.48Å; F228-N296 VanDerWaalsContact CE2-CB 3.48Å; F228-N296 HydrophobicContact CZ-CB 3.95Å; F228-F297 HydrophobicContact CB-CE1 4.41Å; F228-F297 AromaticContact CD2-CD1 3.93Å; F228-F297 HydrophobicContact CD2-CD1 3.93Å; F228-F297 HydrophobicContact CD2-CD2 4.43Å; F228-F297 AromaticContact CD2-CE1 3.87Å; F228-F297 HydrophobicContact CD2-CE1 3.87Å; F228-F297 HydrophobicContact CD2-CE2 4.38Å; F228-F297 HydrophobicContact CD2-CG 4.2Å; F228-F297 HydrophobicContact CD2-CZ 4.09Å; F228-F297 HydrophobicContact CE2-CD1 4.42Å; F228-F297 HydrophobicContact CE2-CD2 4.15Å; F228-F297 HydrophobicContact CE2-CE1 4.49Å; F228-F297 HydrophobicContact CE2-CE2 4.23Å; F228-F297 HydrophobicContact CE2-CG 4.23Å; F228-F297 HydrophobicContact CE2-CZ 4.39Å; F228-F297 HydrophobicContact CG-CE1 4.31Å; F228-F297 HydrophobicContact CG-CZ 4.43Å; F228-V300 HydrophobicContact CD2-CG2 4.25Å
229	F	90.7	Very high	89.8	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.018	34%	0.335	C	S	.	.	H	α-helix	trans	-72.7	-40	-179.8	-69.2	-66.4	0	0	0	112.8	A202 F205 L225 A226 E227 H232 G233 I234 V237	A202-F229 HydrophobicContact CB-CB 3.98Å; A202-F229 HydrophobicContact CB-CD2 4.3Å; A202-F229 HydrophobicContact CB-CG 4.01Å; F205-F229 HydrophobicContact CD1-CD2 4.36Å; F205-F229 AromaticContact CD1-CE2 3.2Å; F205-F229 HydrophobicContact CD1-CE2 3.2Å; F205-F229 AromaticContact CD1-CZ 3.32Å; F205-F229 HydrophobicContact CD1-CZ 3.32Å; F205-F229 HydrophobicContact CD2-CZ 4.47Å; F205-F229 AromaticContact CE1-CE2 3.42Å; F205-F229 HydrophobicContact CE1-CE2 3.42Å; F205-F229 VanDerWaalsContact CE1-CE2 3.42Å; F205-F229 AromaticContact CE1-CZ 3.32Å; F205-F229 HydrophobicContact CE1-CZ 3.32Å; F205-F229 HydrophobicContact CE2-CZ 4.49Å; F205-F229 HydrophobicContact CG-CE2 4.12Å; F205-F229 AromaticContact CG-CZ 3.94Å; F205-F229 HydrophobicContact CG-CZ 3.94Å; F205-F229 HydrophobicContact CZ-CE2 4.46Å; F205-F229 AromaticContact CZ-CZ 3.96Å; F205-F229 HydrophobicContact CZ-CZ 3.96Å; L225-F229 HydrophobicContact CD2-CE2 4.36Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 PolarHBondContact O-N 3.08Å; A226-F229 PolarHBondContact O-N 2.87Å; E227-F229 PolarHBondContact O-N 3.46Å; F229-H232 PolarHBondContact O-N 3.14Å; F229-G233 PolarHBondContact O-N 3.33Å; F229-G233 VanDerWaalsContact O-N 3.12Å; F229-I234 HydrophobicContact CB-CB 4.4Å; F229-I234 HydrophobicContact CD1-CB 3.84Å; F229-I234 HydrophobicContact CD1-CD1 4.12Å; F229-I234 HydrophobicContact CD1-CG2 3.72Å; F229-I234 HydrophobicContact CE1-CG2 4.28Å; F229-I234 PolarHBondContact O-N 3.08Å; F229-V237 HydrophobicContact CD1-CG2 4.09Å; F229-V237 HydrophobicContact CE1-CG2 3.55Å; F229-V237 HydrophobicContact CZ-CG2 3.93Å
230	E	89.1	Confident	90.5	Very high	162 Å²	162	61.5 Å²	61.5	76%	0.757	33%	0.332	S	S	*	.	H	α-helix	trans	-60	-47.3	178.2	-175.8	174.2	-172.8	0	0	111.3	A226 E227 H232 G233	A226-E230 PolarHBondContact O-N 3.45Å; E227-E230 PolarHBondContact O-N 3.33Å; E230-H232 VanDerWaalsContact C-N 3.28Å; E230-H232 PolarHBondContact O-N 3.4Å; E230-G233 PolarHBondContact O-N 2.78Å
231	R	87	Confident	91	Very high	92 Å²	92	61 Å²	61	35%	0.347	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-31.4	-178.9	-173.3	166.1	174.1	-177.6	-14.9	113.4	E227 E299 V300	E227-R231 VanDerWaalsContact O-CB 3.23Å; E227-R231 WeakPolarHBondContact O-CB 3.22Å; E227-R231 PolarHBondContact O-N 3.02Å; R231-E299 VanDerWaalsContact CZ-O 3.28Å; R231-E299 PolarHBondContact NH1-O 3.25Å; R231-E299 PolarHBondContact NH2-O 2.91Å; R231-V300 PolarHBondContact NH1-O 3.38Å
232	H	87.7	Confident	91.2	Very high	57 Å²	57	61.1 Å²	61.1	26%	0.264	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.6	177	-64.5	84.5	0	0	0	113.1	F228 F229 E230 I234 N296	F228-H232 PolarHBondContact O-N 2.92Å; F228-H232 PolarHBondContact O-ND1 3.43Å; F229-H232 PolarHBondContact O-N 3.14Å; E230-H232 VanDerWaalsContact C-N 3.28Å; E230-H232 PolarHBondContact O-N 3.4Å; H232-I234 HydrophobicContact CB-CD1 3.73Å; H232-I234 HydrophobicContact CB-CG1 3.83Å; H232-I234 PolarHBondContact O-N 3.31Å; H232-N296 WeakPolarHBondContact NE2-CB 3.45Å; H232-N296 VanDerWaalsContact NE2-CG 3.34Å
233	G	88.7	Confident	91.6	Very high	57 Å²	57	59.1 Å²	59.1	59%	0.588	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	22	-179.4	0	0	0	0	0	114.1	F229 E230 Q235	F229-G233 PolarHBondContact O-N 3.33Å; F229-G233 VanDerWaalsContact O-N 3.12Å; E230-G233 PolarHBondContact O-N 2.78Å; G233-Q235 PolarHBondContact O-N 3.19Å
234	I	89.1	Confident	92	Very high	44 Å²	44	56.1 Å²	56.1	23%	0.226	31%	0.306	C	S	.	.			trans	-86.3	102.7	-175.4	-59.9	171.9	0	0	0	108.9	F229 H232 S236 V237 M241	F229-I234 HydrophobicContact CB-CB 4.4Å; F229-I234 HydrophobicContact CD1-CB 3.84Å; F229-I234 HydrophobicContact CD1-CD1 4.12Å; F229-I234 HydrophobicContact CD1-CG2 3.72Å; F229-I234 HydrophobicContact CE1-CG2 4.28Å; F229-I234 PolarHBondContact O-N 3.08Å; H232-I234 HydrophobicContact CB-CD1 3.73Å; H232-I234 HydrophobicContact CB-CG1 3.83Å; H232-I234 PolarHBondContact O-N 3.31Å; I234-S236 VanDerWaalsContact CG2-O 3.24Å; I234-S236 WeakPolarHBondContact CG2-O 3.43Å; I234-V237 HydrophobicContact CG2-CG2 4.27Å; I234-M241 HydrophobicContact CD1-CE 4.42Å
235	Q	91.4	Very high	92.2	Very high	171 Å²	171	53.8 Å²	53.8	80%	0.799	30%	0.295	S	S	*	.			trans	-86.5	-29.8	177.1	-62.5	-178.6	6.6	0	0	112.7	A202 G233	A202-Q235 PolarHBondContact N-O 3.48Å; G233-Q235 PolarHBondContact O-N 3.19Å
236	S	93.4	Very high	92.3	Very high	72 Å²	72	53.9 Å²	53.9	50%	0.503	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.1	178.7	59.2	0	0	0	0	111.4	I200 I234	I200-S236 CarbonylContact O-C 3.47Å; I200-S236 WeakPolarHBondContact O-CA 3.39Å; I200-S236 WeakPolarHBondContact O-CB 3.29Å; I234-S236 VanDerWaalsContact CG2-O 3.24Å; I234-S236 WeakPolarHBondContact CG2-O 3.43Å
237	V	94.9	Very high	92.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.4	178.1	-176	0	0	0	0	108.1	A199 I200 F205 F229 I234 M241 F242	A199-V237 WeakPolarHBondContact CA-O 3.45Å; I200-V237 HydrophobicContact CG1-CB 4.33Å; I200-V237 PolarHBondContact N-O 2.93Å; I200-V237 PolarHBondContact O-N 3.31Å; F205-V237 HydrophobicContact CB-CB 4.28Å; F205-V237 HydrophobicContact CB-CG2 3.89Å; F205-V237 HydrophobicContact CD2-CB 4.1Å; F205-V237 HydrophobicContact CD2-CG1 3.64Å; F205-V237 HydrophobicContact CD2-CG2 4.14Å; F205-V237 HydrophobicContact CE2-CG1 4.08Å; F205-V237 HydrophobicContact CG-CB 4.39Å; F205-V237 HydrophobicContact CG-CG1 4.34Å; F205-V237 HydrophobicContact CG-CG2 4Å; F229-V237 HydrophobicContact CD1-CG2 4.09Å; F229-V237 HydrophobicContact CE1-CG2 3.55Å; F229-V237 HydrophobicContact CZ-CG2 3.93Å; I234-V237 HydrophobicContact CG2-CG2 4.27Å; V237-M241 HydrophobicContact CG1-CB 3.91Å; V237-M241 HydrophobicContact CG1-CG 3.82Å; V237-F242 HydrophobicContact CG1-CB 4.25Å
238	T	96.4	Very high	92.8	Very high	66 Å²	66	47.4 Å²	47.4	41%	0.405	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	158.6	176.5	63.1	0	0	0	0	110.9	G198 A199 M241 F242	G198-T238 CarbonylContact O-C 3.5Å; G198-T238 WeakPolarHBondContact O-CA 3.36Å; A199-T238 HydrophobicContact CB-CG2 4.44Å; T238-M241 WeakPolarHBondContact O-CB 3.5Å; T238-M241 PolarHBondContact O-N 2.97Å; T238-M241 VanDerWaalsContact O-N 3.14Å; T238-M241 PolarHBondContact OG1-N 2.94Å; T238-F242 PolarHBondContact O-N 3.44Å
239	F	96.8	Very high	92.8	Very high	80 Å²	80	48 Å²	48	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-55.8	-43.9	177.6	-175.9	-105.5	0	0	0	113.3	L186 F189 G198 M241 F242 M243	L186-F239 HydrophobicContact CD2-CE2 3.45Å; L186-F239 VanDerWaalsContact CD2-CE2 3.45Å; L186-F239 HydrophobicContact CD2-CZ 3.61Å; F189-F239 AromaticContact CD1-CD2 3.78Å; F189-F239 HydrophobicContact CD1-CD2 3.78Å; F189-F239 HydrophobicContact CD1-CE2 4.44Å; F189-F239 HydrophobicContact CD2-CD2 4.3Å; F189-F239 HydrophobicContact CE1-CB 3.92Å; F189-F239 AromaticContact CE1-CD2 3.71Å; F189-F239 HydrophobicContact CE1-CD2 3.71Å; F189-F239 HydrophobicContact CE1-CG 4.26Å; F189-F239 HydrophobicContact CE2-CB 4.31Å; F189-F239 HydrophobicContact CE2-CD2 4.21Å; F189-F239 HydrophobicContact CG-CD2 4.11Å; F189-F239 HydrophobicContact CZ-CB 3.63Å; F189-F239 AromaticContact CZ-CD2 3.93Å; F189-F239 HydrophobicContact CZ-CD2 3.93Å; F189-F239 HydrophobicContact CZ-CG 4.31Å; G198-F239 PolarHBondContact O-N 3.44Å; F239-M241 PolarHBondContact O-N 2.99Å; F239-F242 HydrophobicContact CD2-CD1 4.45Å; F239-F242 HydrophobicContact CE2-CD1 4.43Å; F239-F242 WeakPolarHBondContact O-CB 3.29Å; F239-F242 PolarHBondContact O-N 3.36Å; F239-M243 HydrophobicContact CD1-CG 4.21Å; F239-M243 HydrophobicContact CD2-CG 4.49Å; F239-M243 HydrophobicContact CE1-CG 3.78Å; F239-M243 HydrophobicContact CE1-SD 4.4Å; F239-M243 HydrophobicContact CE2-CG 4.1Å; F239-M243 HydrophobicContact CE2-SD 4.11Å; F239-M243 HydrophobicContact CZ-CG 3.72Å; F239-M243 HydrophobicContact CZ-SD 3.79Å; F239-M243 WeakPolarHBondContact O-CG 3.2Å; F239-M243 PolarHBondContact O-N 2.8Å
240	P	96.5	Very high	92.6	Very high	80 Å²	80	52.5 Å²	52.5	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-39.7	174.5	-25.4	36.3	0	0	0	113.8	F242 M243 A244	P240-F242 VanDerWaalsContact C-N 3.34Å; P240-M243 PolarHBondContact O-N 3.31Å; P240-A244 WeakPolarHBondContact O-CB 3.32Å; P240-A244 PolarHBondContact O-N 3.37Å
241	M	95	Very high	92.7	Very high	24 Å²	24	47.5 Å²	47.5	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-41	176.1	-176.7	67.1	177.7	0	0	111.1	F228 I234 V237 T238 F239 M243 A244 F245 L289 I293	F228-M241 HydrophobicContact CE1-CE 4.26Å; F228-M241 HydrophobicContact CZ-CE 4.37Å; I234-M241 HydrophobicContact CD1-CE 4.42Å; V237-M241 HydrophobicContact CG1-CB 3.91Å; V237-M241 HydrophobicContact CG1-CG 3.82Å; T238-M241 WeakPolarHBondContact O-CB 3.5Å; T238-M241 PolarHBondContact O-N 2.97Å; T238-M241 VanDerWaalsContact O-N 3.14Å; T238-M241 PolarHBondContact OG1-N 2.94Å; F239-M241 PolarHBondContact O-N 2.99Å; M241-M243 VanDerWaalsContact C-N 3.34Å; M241-M243 PolarHBondContact O-N 2.84Å; M241-A244 PolarHBondContact O-N 2.97Å; M241-F245 WeakPolarHBondContact O-CB 3.38Å; M241-F245 PolarHBondContact O-N 2.88Å; M241-L289 HydrophobicContact SD-CD1 4.12Å; M241-I293 HydrophobicContact CE-CD1 3.95Å; M241-I293 HydrophobicContact CE-CG1 3.68Å; M241-I293 HydrophobicContact SD-CD1 3.82Å; M241-I293 HydrophobicContact SD-CG1 4.02Å
242	F	95.4	Very high	92.7	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-45.5	174	172.7	-94.2	0	0	0	112	A185 L186 F189 F205 I208 M209 V237 T238 F239 P240 F245 N246	A185-F242 HydrophobicContact CB-CE1 4.48Å; A185-F242 HydrophobicContact CB-CZ 3.8Å; L186-F242 HydrophobicContact CD2-CE1 4.3Å; F189-F242 HydrophobicContact CB-CE1 4.47Å; F189-F242 HydrophobicContact CB-CZ 4.48Å; F189-F242 HydrophobicContact CD2-CB 4.1Å; F189-F242 HydrophobicContact CD2-CD1 4.07Å; F189-F242 HydrophobicContact CD2-CD2 4Å; F189-F242 HydrophobicContact CD2-CE2 4.46Å; F189-F242 AromaticContact CD2-CG 3.79Å; F189-F242 HydrophobicContact CD2-CG 3.79Å; F189-F242 HydrophobicContact CE2-CB 3.99Å; F189-F242 HydrophobicContact CE2-CG 4.2Å; F205-F242 AromaticContact CD2-CD2 3.64Å; F205-F242 HydrophobicContact CD2-CD2 3.64Å; F205-F242 HydrophobicContact CD2-CE2 4.4Å; F205-F242 HydrophobicContact CE2-CB 4.35Å; F205-F242 AromaticContact CE2-CD2 3.55Å; F205-F242 HydrophobicContact CE2-CD2 3.55Å; F205-F242 HydrophobicContact CE2-CE2 4.31Å; F205-F242 HydrophobicContact CE2-CG 4.37Å; I208-F242 HydrophobicContact CB-CE2 4.49Å; I208-F242 HydrophobicContact CD1-CE2 4.14Å; I208-F242 HydrophobicContact CG2-CE2 3.88Å; I208-F242 HydrophobicContact CG2-CZ 4.16Å; M209-F242 HydrophobicContact SD-CE2 4.5Å; V237-F242 HydrophobicContact CG1-CB 4.25Å; T238-F242 PolarHBondContact O-N 3.44Å; F239-F242 HydrophobicContact CD2-CD1 4.45Å; F239-F242 HydrophobicContact CE2-CD1 4.43Å; F239-F242 WeakPolarHBondContact O-CB 3.29Å; F239-F242 PolarHBondContact O-N 3.36Å; P240-F242 VanDerWaalsContact C-N 3.34Å; F242-F245 PolarHBondContact O-N 3.47Å; F242-N246 PolarHBondContact O-N 3.2Å; F242-N246 PolarHBondContact O-ND2 3.14Å
243	M	95.3	Very high	92.4	Very high	59 Å²	59	44.4 Å²	44.4	29%	0.291	25%	0.25	S	C	.	.	H	α-helix	trans	-67.3	-43.7	178.8	-68.6	-62	-69	0	0	112.3	H182 L186 F239 P240 M241 F245 N246 G247	H182-M243 VanDerWaalsContact CE1-CE 3.44Å; H182-M243 WeakPolarHBondContact CE1-CE 3.4Å; L186-M243 HydrophobicContact CD2-SD 3.77Å; F239-M243 HydrophobicContact CD1-CG 4.21Å; F239-M243 HydrophobicContact CD2-CG 4.49Å; F239-M243 HydrophobicContact CE1-CG 3.78Å; F239-M243 HydrophobicContact CE1-SD 4.4Å; F239-M243 HydrophobicContact CE2-CG 4.1Å; F239-M243 HydrophobicContact CE2-SD 4.11Å; F239-M243 HydrophobicContact CZ-CG 3.72Å; F239-M243 HydrophobicContact CZ-SD 3.79Å; F239-M243 WeakPolarHBondContact O-CG 3.2Å; F239-M243 PolarHBondContact O-N 2.8Å; P240-M243 PolarHBondContact O-N 3.31Å; M241-M243 VanDerWaalsContact C-N 3.34Å; M241-M243 PolarHBondContact O-N 2.84Å; M243-F245 VanDerWaalsContact C-N 3.33Å; M243-F245 PolarHBondContact O-N 3.48Å; M243-N246 PolarHBondContact O-N 2.86Å; M243-G247 PolarHBondContact O-N 3.34Å
244	A	95.8	Very high	92.2	Very high	8 Å²	8	43.3 Å²	43.3	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-37.8	177.1	0	0	0	0	0	111.9	P240 M241 G247 L248 L289 E290 I293	P240-A244 WeakPolarHBondContact O-CB 3.32Å; P240-A244 PolarHBondContact O-N 3.37Å; M241-A244 PolarHBondContact O-N 2.97Å; A244-G247 PolarHBondContact O-N 3.28Å; A244-L248 WeakPolarHBondContact O-CB 3.19Å; A244-L248 PolarHBondContact O-N 3.49Å; A244-L289 HydrophobicContact CB-CB 4.14Å; A244-L289 HydrophobicContact CB-CD2 3.6Å; A244-L289 HydrophobicContact CB-CG 3.62Å; A244-E290 HydrophobicContact CB-CG 4.05Å; A244-E290 VanDerWaalsContact O-CG 3.29Å; A244-E290 WeakPolarHBondContact O-CG 3.36Å; A244-I293 HydrophobicContact CB-CD1 3.69Å
245	F	95.1	Very high	92.2	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-47	176.8	-166.5	-78.1	0	0	0	111.8	F205 M209 V221 L225 F228 M241 F242 M243 L248 L249 I293 F297	F205-F245 HydrophobicContact CE1-CD1 4.36Å; F205-F245 HydrophobicContact CE1-CD2 4.5Å; F205-F245 HydrophobicContact CE1-CE1 4.33Å; F205-F245 HydrophobicContact CE1-CE2 4.47Å; F205-F245 HydrophobicContact CE1-CG 4.44Å; F205-F245 HydrophobicContact CE1-CZ 4.38Å; F205-F245 HydrophobicContact CE2-CB 4.36Å; F205-F245 HydrophobicContact CE2-CG 4.46Å; F205-F245 HydrophobicContact CZ-CB 3.97Å; F205-F245 AromaticContact CZ-CD1 3.66Å; F205-F245 HydrophobicContact CZ-CD1 3.66Å; F205-F245 HydrophobicContact CZ-CD2 4.01Å; F205-F245 HydrophobicContact CZ-CE1 4.06Å; F205-F245 HydrophobicContact CZ-CE2 4.39Å; F205-F245 AromaticContact CZ-CG 3.61Å; F205-F245 HydrophobicContact CZ-CG 3.61Å; F205-F245 HydrophobicContact CZ-CZ 4.41Å; M209-F245 HydrophobicContact CE-CD1 3.92Å; M209-F245 HydrophobicContact CE-CE1 3.92Å; M209-F245 HydrophobicContact SD-CD1 4.43Å; V221-F245 HydrophobicContact CG1-CZ 4.28Å; L225-F245 HydrophobicContact CD2-CE1 4.08Å; L225-F245 HydrophobicContact CD2-CE2 4.2Å; L225-F245 HydrophobicContact CD2-CZ 3.46Å; L225-F245 VanDerWaalsContact CD2-CZ 3.46Å; F228-F245 HydrophobicContact CE1-CE2 4.41Å; M241-F245 WeakPolarHBondContact O-CB 3.38Å; M241-F245 PolarHBondContact O-N 2.88Å; F242-F245 PolarHBondContact O-N 3.47Å; M243-F245 VanDerWaalsContact C-N 3.33Å; M243-F245 PolarHBondContact O-N 3.48Å; F245-L248 PolarHBondContact O-N 2.87Å; F245-L249 HydrophobicContact CD1-CD1 4.02Å; F245-L249 HydrophobicContact CD1-CG 4.36Å; F245-L249 HydrophobicContact CE1-CD1 3.71Å; F245-L249 HydrophobicContact CE1-CG 4.22Å; F245-L249 WeakPolarHBondContact O-CG 3.27Å; F245-L249 PolarHBondContact O-N 3.04Å; F245-I293 HydrophobicContact CB-CD1 4.12Å; F245-I293 HydrophobicContact CD2-CG2 3.73Å; F245-I293 HydrophobicContact CE2-CG2 4.14Å; F245-F297 HydrophobicContact CD2-CE2 4.42Å; F245-F297 AromaticContact CE2-CE2 3.48Å; F245-F297 HydrophobicContact CE2-CE2 3.48Å; F245-F297 VanDerWaalsContact CE2-CE2 3.48Å; F245-F297 AromaticContact CE2-CZ 3.58Å; F245-F297 HydrophobicContact CE2-CZ 3.58Å; F245-F297 AromaticContact CZ-CE2 3.68Å; F245-F297 HydrophobicContact CZ-CE2 3.68Å; F245-F297 AromaticContact CZ-CZ 3.54Å; F245-F297 HydrophobicContact CZ-CZ 3.54Å
246	N	92.5	Very high	91.9	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-45.3	175.6	-76.5	-83.2	0	0	0	111.3	F242 M243 L248 L249 D250	F242-N246 PolarHBondContact O-N 3.2Å; F242-N246 PolarHBondContact O-ND2 3.14Å; M243-N246 PolarHBondContact O-N 2.86Å; N246-L248 VanDerWaalsContact C-N 3.31Å; N246-L248 PolarHBondContact O-N 2.8Å; N246-L249 PolarHBondContact O-N 3.16Å; N246-L249 VanDerWaalsContact O-N 3.12Å; N246-D250 PolarHBondContact O-N 2.9Å
247	G	92.9	Very high	91.2	Very high	9 Å²	9	37.4 Å²	37.4	9%	0.093	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-35.6	178.8	0	0	0	0	0	113.4	M243 A244 K251 E290	M243-G247 PolarHBondContact O-N 3.34Å; A244-G247 PolarHBondContact O-N 3.28Å; G247-K251 VanDerWaalsContact O-CB 3.3Å; G247-K251 WeakPolarHBondContact O-CB 3.3Å; G247-K251 VanDerWaalsContact O-CD 3.26Å; G247-K251 WeakPolarHBondContact O-CD 3.03Å; G247-K251 WeakPolarHBondContact O-CG 3.49Å; G247-K251 PolarHBondContact O-N 2.86Å; G247-K251 VanDerWaalsContact O-N 3.13Å; G247-E290 WeakPolarHBondContact CA-OE1 3.23Å
248	L	94.6	Very high	90.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-49.4	172.1	172.7	64.5	0	0	0	111.2	A244 F245 N246 D250 K251 L252 V255 E290 I293 L294	A244-L248 WeakPolarHBondContact O-CB 3.19Å; A244-L248 PolarHBondContact O-N 3.49Å; F245-L248 PolarHBondContact O-N 2.87Å; N246-L248 VanDerWaalsContact C-N 3.31Å; N246-L248 PolarHBondContact O-N 2.8Å; L248-D250 VanDerWaalsContact C-N 3.3Å; L248-D250 PolarHBondContact O-N 3.43Å; L248-K251 CarbonylContact O-C 3.56Å; L248-K251 PolarHBondContact O-N 2.83Å; L248-K251 VanDerWaalsContact O-N 3.08Å; L248-L252 HydrophobicContact CD1-CD2 4.31Å; L248-L252 HydrophobicContact CG-CD2 4.41Å; L248-L252 WeakPolarHBondContact O-CG 2.98Å; L248-L252 PolarHBondContact O-N 3.41Å; L248-L252 VanDerWaalsContact O-N 3.14Å; L248-V255 HydrophobicContact CD1-CG2 3.96Å; L248-E290 HydrophobicContact CB-CB 4.23Å; L248-E290 HydrophobicContact CB-CG 4.23Å; L248-I293 HydrophobicContact CD2-CB 3.9Å; L248-I293 HydrophobicContact CD2-CG2 3.52Å; L248-L294 HydrophobicContact CD1-CB 4.03Å; L248-L294 HydrophobicContact CD2-CB 4.08Å
249	L	90	Very high	90.1	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-40.2	-179.2	-67.6	-178.6	0	0	0	111.8	M209 M216 L217 F245 N246 K251 L252	M209-L249 HydrophobicContact CE-CD1 3.73Å; M216-L249 HydrophobicContact CB-CD1 4.46Å; M216-L249 HydrophobicContact CE-CB 3.53Å; M216-L249 HydrophobicContact CE-CD1 4.36Å; L217-L249 HydrophobicContact CD2-CD1 3.62Å; F245-L249 HydrophobicContact CD1-CD1 4.02Å; F245-L249 HydrophobicContact CD1-CG 4.36Å; F245-L249 HydrophobicContact CE1-CD1 3.71Å; F245-L249 HydrophobicContact CE1-CG 4.22Å; F245-L249 WeakPolarHBondContact O-CG 3.27Å; F245-L249 PolarHBondContact O-N 3.04Å; N246-L249 PolarHBondContact O-N 3.16Å; N246-L249 VanDerWaalsContact O-N 3.12Å; L249-K251 VanDerWaalsContact C-N 3.26Å; L249-K251 PolarHBondContact O-N 3.44Å; L249-L252 HydrophobicContact CD2-CD1 4.16Å
250	D	87.2	Confident	89.1	Confident	97 Å²	97	32.6 Å²	32.6	52%	0.519	16%	0.162	S	C	.	.	H	α-helix	trans	-64.2	-30.7	175.3	-70.3	-34.4	0	0	0	112.5	M216 N246 L248	M216-D250 WeakPolarHBondContact CE-OD1 3.34Å; N246-D250 PolarHBondContact O-N 2.9Å; L248-D250 VanDerWaalsContact C-N 3.3Å; L248-D250 PolarHBondContact O-N 3.43Å
251	K	90.5	Very high	88	Confident	57 Å²	57	31.7 Å²	31.7	25%	0.248	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.6	-172.9	-63.2	167.5	-161.4	166.3	0	113.6	G247 L248 L249 E253 L254 V255 Q285 L286 E290	G247-K251 VanDerWaalsContact O-CB 3.3Å; G247-K251 WeakPolarHBondContact O-CB 3.3Å; G247-K251 VanDerWaalsContact O-CD 3.26Å; G247-K251 WeakPolarHBondContact O-CD 3.03Å; G247-K251 WeakPolarHBondContact O-CG 3.49Å; G247-K251 PolarHBondContact O-N 2.86Å; G247-K251 VanDerWaalsContact O-N 3.13Å; L248-K251 CarbonylContact O-C 3.56Å; L248-K251 PolarHBondContact O-N 2.83Å; L248-K251 VanDerWaalsContact O-N 3.08Å; L249-K251 VanDerWaalsContact C-N 3.26Å; L249-K251 PolarHBondContact O-N 3.44Å; K251-E253 PolarHBondContact O-N 3.4Å; K251-E253 VanDerWaalsContact O-N 3.11Å; K251-L254 HydrophobicContact CB-CB 4.42Å; K251-L254 WeakPolarHBondContact O-CA 3.34Å; K251-L254 WeakPolarHBondContact O-CB 3.18Å; K251-L254 PolarHBondContact O-N 3.32Å; K251-V255 WeakPolarHBondContact O-CG2 3.37Å; K251-V255 PolarHBondContact O-N 3.13Å; K251-Q285 WeakPolarHBondContact CD-O 3.16Å; K251-Q285 WeakPolarHBondContact CE-O 3.46Å; K251-Q285 PolarHBondContact NZ-O 3.07Å; K251-L286 HydrophobicContact CD-CD1 4.41Å; K251-E290 VanDerWaalsContact NZ-CD 3.34Å; K251-E290 IonicContact NZ-OE1 3.59Å; K251-E290 PolarHBondContact NZ-OE1 2.88Å; K251-E290 IonicContact NZ-OE2 2.95Å; K251-E290 PolarHBondContact NZ-OE2 3.09Å
252	L	87.9	Confident	87.2	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-31.1	-177.3	-75.1	175.6	0	0	0	113.5	L248 L249 V255 R256 L316 H317	L248-L252 HydrophobicContact CD1-CD2 4.31Å; L248-L252 HydrophobicContact CG-CD2 4.41Å; L248-L252 WeakPolarHBondContact O-CG 2.98Å; L248-L252 PolarHBondContact O-N 3.41Å; L248-L252 VanDerWaalsContact O-N 3.14Å; L249-L252 HydrophobicContact CD2-CD1 4.16Å; L252-V255 WeakPolarHBondContact O-CB 3.21Å; L252-V255 PolarHBondContact O-N 3.45Å; L252-R256 WeakPolarHBondContact O-CG 3.44Å; L252-R256 PolarHBondContact O-N 2.95Å; L252-L316 HydrophobicContact CD1-CB 4.34Å; L252-L316 WeakPolarHBondContact CD1-O 3.29Å; L252-L316 HydrophobicContact CD2-CB 4.21Å; L252-H317 HydrophobicContact CD1-CB 4.43Å
253	E	81	Confident	86.1	Confident	81 Å²	81	31.5 Å²	31.5	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-71.7	-36.9	176.1	-170.1	53.3	-149.3	0	0	112.4	K251 V255 R256 R257	K251-E253 PolarHBondContact O-N 3.4Å; K251-E253 VanDerWaalsContact O-N 3.11Å; E253-V255 VanDerWaalsContact C-N 3.35Å; E253-R256 PolarHBondContact O-N 2.88Å; E253-R256 VanDerWaalsContact OE2-CD 3.24Å; E253-R256 WeakPolarHBondContact OE2-CD 3.47Å; E253-R256 IonicContact OE2-CZ 2.91Å; E253-R256 IonicContact OE2-NH1 2.67Å; E253-R256 PolarHBondContact OE2-NH1 3.28Å; E253-R257 WeakPolarHBondContact O-CG 3.37Å; E253-R257 PolarHBondContact O-N 3.46Å; E253-R257 VanDerWaalsContact O-N 3.09Å
254	L	84.5	Confident	84.8	Confident	35 Å²	35	37.2 Å²	37.2	18%	0.183	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-43.3	169.8	175.2	61.2	0	0	0	110.8	K251 R256 R257 I258 Y283 Q285	K251-L254 HydrophobicContact CB-CB 4.42Å; K251-L254 WeakPolarHBondContact O-CA 3.34Å; K251-L254 WeakPolarHBondContact O-CB 3.18Å; K251-L254 PolarHBondContact O-N 3.32Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-R256 PolarHBondContact O-N 3.44Å; L254-R257 WeakPolarHBondContact O-CB 3.25Å; L254-R257 PolarHBondContact O-N 2.86Å; L254-R257 VanDerWaalsContact O-N 3.12Å; L254-I258 HydrophobicContact CD1-CD1 4.25Å; L254-I258 HydrophobicContact CD1-CG1 4.41Å; L254-I258 HydrophobicContact CG-CD1 4.03Å; L254-I258 WeakPolarHBondContact O-CG1 2.98Å; L254-I258 PolarHBondContact O-N 2.8Å; L254-Y283 HydrophobicContact CD1-CD1 3.49Å; L254-Y283 VanDerWaalsContact CD1-CD1 3.49Å; L254-Y283 HydrophobicContact CD1-CE1 3.91Å; L254-Y283 HydrophobicContact CD1-CG 4.08Å; L254-Q285 HydrophobicContact CD2-CB 4.02Å
255	V	89.6	Confident	82.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-43.5	175.7	169.1	0	0	0	0	111.2	L248 K251 L252 E253 R257 I258 Y259 F276 L286 L294 L313	L248-V255 HydrophobicContact CD1-CG2 3.96Å; K251-V255 WeakPolarHBondContact O-CG2 3.37Å; K251-V255 PolarHBondContact O-N 3.13Å; L252-V255 WeakPolarHBondContact O-CB 3.21Å; L252-V255 PolarHBondContact O-N 3.45Å; E253-V255 VanDerWaalsContact C-N 3.35Å; V255-R257 PolarHBondContact O-N 3.45Å; V255-I258 PolarHBondContact O-N 3.28Å; V255-Y259 WeakPolarHBondContact O-CB 3.34Å; V255-Y259 PolarHBondContact O-N 3.18Å; V255-F276 HydrophobicContact CB-CZ 4.4Å; V255-F276 HydrophobicContact CG1-CE2 4.26Å; V255-F276 HydrophobicContact CG1-CZ 3.82Å; V255-L286 HydrophobicContact CG2-CD1 4.04Å; V255-L286 HydrophobicContact CG2-CD2 4.15Å; V255-L294 HydrophobicContact CG1-CD1 4.25Å; V255-L294 HydrophobicContact CG1-CD2 3.52Å; V255-L313 HydrophobicContact CG1-CD1 4.33Å; V255-L313 HydrophobicContact CG1-CD2 3.55Å
256	R	84.4	Confident	80.9	Confident	14 Å²	14	41.2 Å²	41.2	5%	0.053	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-43.2	174.3	-76	167	172	-177.2	-7.2	112.5	L252 E253 L254 Y259 L260 L313 H317	L252-R256 WeakPolarHBondContact O-CG 3.44Å; L252-R256 PolarHBondContact O-N 2.95Å; E253-R256 PolarHBondContact O-N 2.88Å; E253-R256 VanDerWaalsContact OE2-CD 3.24Å; E253-R256 WeakPolarHBondContact OE2-CD 3.47Å; E253-R256 IonicContact OE2-CZ 2.91Å; E253-R256 IonicContact OE2-NH1 2.67Å; E253-R256 PolarHBondContact OE2-NH1 3.28Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-R256 PolarHBondContact O-N 3.44Å; R256-Y259 PolarHBondContact O-N 3.09Å; R256-L260 WeakPolarHBondContact O-CB 3.23Å; R256-L260 VanDerWaalsContact O-CG 3.31Å; R256-L260 WeakPolarHBondContact O-CG 3.31Å; R256-L260 PolarHBondContact O-N 2.71Å; R256-L313 HydrophobicContact CG-CB 4.07Å; R256-L313 HydrophobicContact CG-CD1 4.01Å; R256-H317 VanDerWaalsContact CZ-CD2 3.46Å; R256-H317 VanDerWaalsContact CZ-CG 3.45Å; R256-H317 PolarHBondContact NH1-CD2 2.95Å; R256-H317 PolarHBondContact NH1-NE2 3.13Å; R256-H317 PolarHBondContact NH2-ND1 3.2Å
257	R	79.3	Confident	79.5	Confident	149 Å²	149	42.1 Å²	42.1	56%	0.562	22%	0.224	S	C	*	.	H	α-helix	trans	-62.4	-43.3	177	-69.3	173.8	-175	-164.3	1.6	111.9	E253 L254 V255 L260 A261	E253-R257 WeakPolarHBondContact O-CG 3.37Å; E253-R257 PolarHBondContact O-N 3.46Å; E253-R257 VanDerWaalsContact O-N 3.09Å; L254-R257 WeakPolarHBondContact O-CB 3.25Å; L254-R257 PolarHBondContact O-N 2.86Å; L254-R257 VanDerWaalsContact O-N 3.12Å; V255-R257 PolarHBondContact O-N 3.45Å; R257-L260 PolarHBondContact O-N 2.55Å; R257-A261 PolarHBondContact O-N 3.32Å
258	I	83.7	Confident	78.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-47.3	175.7	-64.4	165.3	0	0	0	110.2	L254 V255 L260 A261 V262 F276 A279 A280 Y283 L286	L254-I258 HydrophobicContact CD1-CD1 4.25Å; L254-I258 HydrophobicContact CD1-CG1 4.41Å; L254-I258 HydrophobicContact CG-CD1 4.03Å; L254-I258 WeakPolarHBondContact O-CG1 2.98Å; L254-I258 PolarHBondContact O-N 2.8Å; V255-I258 PolarHBondContact O-N 3.28Å; I258-L260 PolarHBondContact O-N 2.72Å; I258-A261 WeakPolarHBondContact O-CB 3.15Å; I258-A261 PolarHBondContact O-N 2.73Å; I258-V262 WeakPolarHBondContact O-CG2 3.33Å; I258-V262 PolarHBondContact O-N 2.81Å; I258-F276 HydrophobicContact CB-CE2 3.98Å; I258-F276 HydrophobicContact CB-CZ 3.82Å; I258-F276 HydrophobicContact CD1-CZ 4.41Å; I258-F276 HydrophobicContact CG2-CD1 4.45Å; I258-F276 HydrophobicContact CG2-CD2 4.09Å; I258-F276 HydrophobicContact CG2-CE1 4.02Å; I258-F276 HydrophobicContact CG2-CE2 3.64Å; I258-F276 HydrophobicContact CG2-CG 4.47Å; I258-F276 HydrophobicContact CG2-CZ 3.58Å; I258-A279 HydrophobicContact CG2-CB 4.02Å; I258-A280 HydrophobicContact CD1-CB 4.27Å; I258-A280 HydrophobicContact CG2-CB 4.39Å; I258-Y283 HydrophobicContact CD1-CD2 3.83Å; I258-Y283 HydrophobicContact CD1-CE2 4.46Å; I258-Y283 HydrophobicContact CD1-CG 3.98Å; I258-Y283 HydrophobicContact CG1-CD2 3.55Å; I258-Y283 HydrophobicContact CG1-CE2 3.68Å; I258-Y283 HydrophobicContact CG1-CG 4.02Å; I258-L286 HydrophobicContact CD1-CD2 3.64Å
259	Y	83.9	Confident	77.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56	-49.2	175.8	170.6	-89.1	0	0	0	111.5	V255 R256 A261 V262 A263 S266 L267 K269 V271 V308 F310 L313	V255-Y259 WeakPolarHBondContact O-CB 3.34Å; V255-Y259 PolarHBondContact O-N 3.18Å; R256-Y259 PolarHBondContact O-N 3.09Å; Y259-A261 VanDerWaalsContact C-N 3.27Å; Y259-A261 PolarHBondContact O-N 2.98Å; Y259-V262 PolarHBondContact O-N 3.44Å; Y259-A263 HydrophobicContact CD1-CB 4.35Å; Y259-A263 HydrophobicContact CE1-CB 3.94Å; Y259-A263 WeakPolarHBondContact O-CB 3.47Å; Y259-A263 PolarHBondContact O-N 2.71Å; Y259-S266 PolarHBondContact OH-O 2.96Å; Y259-L267 PolarHBondContact OH-O 3.4Å; Y259-L267 VanDerWaalsContact OH-O 3.14Å; Y259-K269 WeakPolarHBondContact CE2-O 3.33Å; Y259-K269 PolarHBondContact OH-O 3.02Å; Y259-V271 HydrophobicContact CD2-CB 4.04Å; Y259-V271 HydrophobicContact CD2-CG2 3.69Å; Y259-V271 HydrophobicContact CE2-CB 4Å; Y259-V271 HydrophobicContact CE2-CG2 3.47Å; Y259-V271 VanDerWaalsContact CE2-CG2 3.47Å; Y259-V308 HydrophobicContact CD2-CG1 4.38Å; Y259-V308 WeakPolarHBondContact CE2-O 3.46Å; Y259-F310 HydrophobicContact CD1-CB 4.4Å; Y259-F310 HydrophobicContact CD1-CD2 4.05Å; Y259-F310 HydrophobicContact CE1-CB 3.62Å; Y259-F310 AromaticContact CE1-CD2 3.97Å; Y259-F310 HydrophobicContact CE1-CD2 3.97Å; Y259-F310 HydrophobicContact CE1-CG 4.31Å; Y259-F310 VanDerWaalsContact CZ-N 3.25Å; Y259-F310 PolarHBondContact OH-N 3.08Å; Y259-F310 VanDerWaalsContact OH-N 3.14Å; Y259-L313 HydrophobicContact CD1-CD1 4.14Å; Y259-L313 HydrophobicContact CD2-CD1 4.16Å; Y259-L313 HydrophobicContact CG-CD1 3.66Å
260	L	76.2	Confident	77.4	Confident	46 Å²	46	54 Å²	54	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-34.2	-179.5	-72	173.4	0	0	0	112.4	R256 R257 I258 K264 G265 L267 F310	R256-L260 WeakPolarHBondContact O-CB 3.23Å; R256-L260 VanDerWaalsContact O-CG 3.31Å; R256-L260 WeakPolarHBondContact O-CG 3.31Å; R256-L260 PolarHBondContact O-N 2.71Å; R257-L260 PolarHBondContact O-N 2.55Å; I258-L260 PolarHBondContact O-N 2.72Å; L260-K264 PolarHBondContact O-N 3.16Å; L260-K264 VanDerWaalsContact O-N 3.08Å; L260-G265 PolarHBondContact O-N 3.27Å; L260-G265 VanDerWaalsContact O-N 3.09Å; L260-L267 HydrophobicContact CD2-CD2 3.44Å; L260-L267 VanDerWaalsContact CD2-CD2 3.44Å; L260-F310 HydrophobicContact CD2-CD2 4.17Å; L260-F310 HydrophobicContact CD2-CE2 4.2Å
261	A	74.4	Confident	77.4	Confident	60 Å²	60	49.4 Å²	49.4	50%	0.496	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-48.5	173.9	0	0	0	0	0	111.6	R257 I258 Y259 A263 K264	R257-A261 PolarHBondContact O-N 3.32Å; I258-A261 WeakPolarHBondContact O-CB 3.15Å; I258-A261 PolarHBondContact O-N 2.73Å; Y259-A261 VanDerWaalsContact C-N 3.27Å; Y259-A261 PolarHBondContact O-N 2.98Å; A261-A263 VanDerWaalsContact C-N 3.32Å; A261-A263 PolarHBondContact O-N 3.32Å; A261-K264 PolarHBondContact O-N 3.3Å
262	V	77.7	Confident	77.6	Confident	19 Å²	19	49.4 Å²	49.4	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-38.4	176.6	179	0	0	0	0	111.9	I258 Y259 K264 K269 V271 E275 A279	I258-V262 WeakPolarHBondContact O-CG2 3.33Å; I258-V262 PolarHBondContact O-N 2.81Å; Y259-V262 PolarHBondContact O-N 3.44Å; V262-K264 PolarHBondContact O-N 3Å; V262-K269 PolarHBondContact O-NZ 3.38Å; V262-V271 HydrophobicContact CB-CG1 4.25Å; V262-V271 HydrophobicContact CB-CG2 4.3Å; V262-V271 HydrophobicContact CG1-CB 4.41Å; V262-V271 HydrophobicContact CG1-CG1 3.6Å; V262-V271 HydrophobicContact CG1-CG2 3.86Å; V262-E275 HydrophobicContact CG1-CB 4.08Å; V262-A279 HydrophobicContact CG2-CB 3.18Å
263	A	72.2	Confident	77.9	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.033	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7	-177.8	0	0	0	0	0	113.1	Y259 A261 G265 S266 K269 V271	Y259-A263 HydrophobicContact CD1-CB 4.35Å; Y259-A263 HydrophobicContact CE1-CB 3.94Å; Y259-A263 WeakPolarHBondContact O-CB 3.47Å; Y259-A263 PolarHBondContact O-N 2.71Å; A261-A263 VanDerWaalsContact C-N 3.32Å; A261-A263 PolarHBondContact O-N 3.32Å; A263-G265 PolarHBondContact O-N 3.44Å; A263-S266 VanDerWaalsContact CB-O 3.24Å; A263-S266 WeakPolarHBondContact CB-O 3.19Å; A263-S266 VanDerWaalsContact O-CB 3.28Å; A263-S266 WeakPolarHBondContact O-CB 3.42Å; A263-S266 PolarHBondContact O-N 2.96Å; A263-K269 HydrophobicContact CB-CB 4.26Å; A263-V271 HydrophobicContact CB-CG2 4.4Å
264	K	67.5	Low	78.5	Confident	179 Å²	179	51.2 Å²	51.2	78%	0.778	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37	-175	-58	-176.5	178.7	-177.1	0	112	L260 A261 V262 T332	L260-K264 PolarHBondContact O-N 3.16Å; L260-K264 VanDerWaalsContact O-N 3.08Å; A261-K264 PolarHBondContact O-N 3.3Å; V262-K264 PolarHBondContact O-N 3Å; K264-T332 PolarHBondContact O-OG1 3.33Å
265	G	53.6	Low	78.8	Confident	38 Å²	38	53.5 Å²	53.5	39%	0.392	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-5.7	-176.4	0	0	0	0	0	116.1	L260 A263 L267	L260-G265 PolarHBondContact O-N 3.27Å; L260-G265 VanDerWaalsContact O-N 3.09Å; A263-G265 PolarHBondContact O-N 3.44Å; G265-L267 PolarHBondContact O-N 3.39Å
266	S	55.8	Low	79	Confident	55 Å²	55	53.5 Å²	53.5	39%	0.385	29%	0.287	S	S	.	.			trans	-76.8	111	176.6	-179.2	0	0	0	0	111.8	Y259 A263 Q268 K269	Y259-S266 PolarHBondContact OH-O 2.96Å; A263-S266 VanDerWaalsContact CB-O 3.24Å; A263-S266 WeakPolarHBondContact CB-O 3.19Å; A263-S266 VanDerWaalsContact O-CB 3.28Å; A263-S266 WeakPolarHBondContact O-CB 3.42Å; A263-S266 PolarHBondContact O-N 2.96Å; S266-Q268 VanDerWaalsContact C-N 3.26Å; S266-Q268 PolarHBondContact O-N 3.48Å; S266-K269 PolarHBondContact O-N 3.17Å; S266-K269 PolarHBondContact OG-N 2.96Å
267	L	63	Low	79.5	Confident	24 Å²	24	55.5 Å²	55.5	13%	0.126	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17	178.6	-70	-147	0	0	0	115.4	Y259 L260 G265 F310 F328	Y259-L267 PolarHBondContact OH-O 3.4Å; Y259-L267 VanDerWaalsContact OH-O 3.14Å; L260-L267 HydrophobicContact CD2-CD2 3.44Å; L260-L267 VanDerWaalsContact CD2-CD2 3.44Å; G265-L267 PolarHBondContact O-N 3.39Å; L267-F310 HydrophobicContact CB-CB 4.06Å; L267-F310 HydrophobicContact CB-CG 4.4Å; L267-F310 HydrophobicContact CD1-CB 4.24Å; L267-F310 HydrophobicContact CD1-CD1 3.42Å; L267-F310 VanDerWaalsContact CD1-CD1 3.42Å; L267-F310 HydrophobicContact CD1-CD2 4.34Å; L267-F310 HydrophobicContact CD1-CE1 3.67Å; L267-F310 HydrophobicContact CD1-CG 3.75Å; L267-F310 HydrophobicContact CD1-CZ 4.25Å; L267-F310 HydrophobicContact CD2-CB 4.05Å; L267-F310 HydrophobicContact CD2-CD1 4.21Å; L267-F310 HydrophobicContact CD2-CD2 3.62Å; L267-F310 HydrophobicContact CD2-CE2 4.02Å; L267-F310 HydrophobicContact CD2-CG 3.7Å; L267-F310 HydrophobicContact CD2-CZ 4.45Å; L267-F310 HydrophobicContact CG-CB 4.36Å; L267-F310 HydrophobicContact CG-CD1 4.33Å; L267-F310 HydrophobicContact CG-CG 4.17Å; L267-F310 WeakPolarHBondContact O-CB 3.49Å; L267-F328 HydrophobicContact CB-CE1 4.43Å; L267-F328 HydrophobicContact CD1-CD1 3.98Å; L267-F328 HydrophobicContact CD1-CE1 2.95Å; L267-F328 HydrophobicContact CD1-CE2 4.24Å; L267-F328 HydrophobicContact CD1-CZ 3.09Å; L267-F328 HydrophobicContact CD2-CE1 4.25Å; L267-F328 HydrophobicContact CG-CD1 3.95Å; L267-F328 HydrophobicContact CG-CE1 3.34Å; L267-F328 HydrophobicContact CG-CZ 3.99Å
268	Q	68.4	Low	80.1	Confident	167 Å²	167	54.7 Å²	54.7	78%	0.78	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-7.7	-178.4	-58.9	-60.5	-23.3	0	0	111.9	S266 A270	S266-Q268 VanDerWaalsContact C-N 3.26Å; S266-Q268 PolarHBondContact O-N 3.48Å; Q268-A270 PolarHBondContact O-N 3.3Å; Q268-A270 VanDerWaalsContact O-N 3.13Å
269	K	77.3	Confident	80.2	Confident	73 Å²	73	55.7 Å²	55.7	32%	0.317	31%	0.309	S	S	.	.			trans	-68.2	116.1	177.7	179.1	172.2	166.3	-158.2	0	108.3	Y259 V262 A263 S266 V271 E275	Y259-K269 WeakPolarHBondContact CE2-O 3.33Å; Y259-K269 PolarHBondContact OH-O 3.02Å; V262-K269 PolarHBondContact O-NZ 3.38Å; A263-K269 HydrophobicContact CB-CB 4.26Å; S266-K269 PolarHBondContact O-N 3.17Å; S266-K269 PolarHBondContact OG-N 2.96Å; K269-V271 HydrophobicContact CG-CG2 4.36Å; K269-V271 PolarHBondContact O-N 2.87Å; K269-E275 WeakPolarHBondContact CE-OE2 3.24Å; K269-E275 IonicContact NZ-OE2 3.39Å; K269-E275 PolarHBondContact NZ-OE2 3.36Å
270	A	87.9	Confident	80.5	Confident	34 Å²	34	56 Å²	56	28%	0.281	31%	0.312	S	S	.	.			trans	-67.2	124.9	164.5	0	0	0	0	0	108.5	Q268 E307 T309	Q268-A270 PolarHBondContact O-N 3.3Å; Q268-A270 VanDerWaalsContact O-N 3.13Å; A270-E307 HydrophobicContact CB-CB 4.08Å; A270-E307 HydrophobicContact CB-CG 3.97Å; A270-E307 VanDerWaalsContact CB-OE2 3.25Å; A270-E307 WeakPolarHBondContact CB-OE2 3.32Å; A270-T309 HydrophobicContact CB-CG2 4.3Å
271	V	87.4	Confident	81.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.6	178.9	175.9	0	0	0	0	108.1	Y259 V262 A263 K269 E275 F276 F295 E307 V308	Y259-V271 HydrophobicContact CD2-CB 4.04Å; Y259-V271 HydrophobicContact CD2-CG2 3.69Å; Y259-V271 HydrophobicContact CE2-CB 4Å; Y259-V271 HydrophobicContact CE2-CG2 3.47Å; Y259-V271 VanDerWaalsContact CE2-CG2 3.47Å; V262-V271 HydrophobicContact CB-CG1 4.25Å; V262-V271 HydrophobicContact CB-CG2 4.3Å; V262-V271 HydrophobicContact CG1-CB 4.41Å; V262-V271 HydrophobicContact CG1-CG1 3.6Å; V262-V271 HydrophobicContact CG1-CG2 3.86Å; A263-V271 HydrophobicContact CB-CG2 4.4Å; K269-V271 HydrophobicContact CG-CG2 4.36Å; K269-V271 PolarHBondContact O-N 2.87Å; V271-E275 HydrophobicContact CG1-CB 4.21Å; V271-F276 HydrophobicContact CG1-CB 3.92Å; V271-F276 HydrophobicContact CG1-CD2 4.27Å; V271-F295 WeakPolarHBondContact O-CE1 3.26Å; V271-E307 WeakPolarHBondContact O-CA 3.17Å; V271-V308 PolarHBondContact N-O 3.36Å; V271-V308 PolarHBondContact O-N 2.88Å
272	V	93.7	Very high	81.8	Confident	57 Å²	57	66.7 Å²	66.7	35%	0.345	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	155.2	174.7	-63	0	0	0	0	110.8	E275 F276	V272-E275 HydrophobicContact CG2-CB 4.07Å; V272-E275 HydrophobicContact CG2-CG 3.69Å; V272-E275 WeakPolarHBondContact O-CB 3.31Å; V272-E275 PolarHBondContact O-N 3.35Å; V272-F276 PolarHBondContact O-N 2.8Å
273	E	94.5	Very high	82.2	Confident	28 Å²	28	69 Å²	69	13%	0.131	36%	0.355	C	S	.	.	H	α-helix	trans	-57	-44.8	-175.5	175.4	-175.5	-153.6	0	0	115.1	E275 F276 L277 V291 F295 R306	E273-E275 VanDerWaalsContact C-N 3.27Å; E273-E275 PolarHBondContact O-N 2.88Å; E273-F276 PolarHBondContact O-N 3.31Å; E273-F276 VanDerWaalsContact O-N 3.13Å; E273-L277 HydrophobicContact CG-CD1 3.76Å; E273-L277 HydrophobicContact CG-CG 4.12Å; E273-L277 WeakPolarHBondContact O-CB 3.19Å; E273-L277 PolarHBondContact O-N 2.86Å; E273-V291 HydrophobicContact CG-CG1 4.4Å; E273-F295 HydrophobicContact CB-CD1 3.73Å; E273-F295 HydrophobicContact CB-CD2 3.86Å; E273-F295 HydrophobicContact CB-CE1 3.7Å; E273-F295 HydrophobicContact CB-CE2 3.86Å; E273-F295 HydrophobicContact CB-CG 3.81Å; E273-F295 HydrophobicContact CB-CZ 3.79Å; E273-F295 HydrophobicContact CG-CD2 3.96Å; E273-F295 HydrophobicContact CG-CE2 4.17Å; E273-F295 HydrophobicContact CG-CG 4.21Å; E273-R306 IonicContact OE1-CZ 3.86Å; E273-R306 IonicContact OE1-NE 3.99Å; E273-R306 IonicContact OE1-NH2 2.95Å; E273-R306 PolarHBondContact OE1-NH2 2.82Å; E273-R306 IonicContact OE2-CZ 3.67Å; E273-R306 IonicContact OE2-NE 2.79Å; E273-R306 PolarHBondContact OE2-NE 3.35Å; E273-R306 IonicContact OE2-NH2 3.85Å; E273-R306 PolarHBondContact OE2-NH2 3.05Å
274	P	93.6	Very high	82.9	Confident	94 Å²	94	73.5 Å²	73.5	61%	0.61	39%	0.392	S	S	*	.	H	α-helix	trans	-61.1	-35.4	178.9	-24.9	35.3	0	0	0	113.2	H278	P274-H278 WeakPolarHBondContact O-CB 3.37Å; P274-H278 PolarHBondContact O-N 2.88Å
275	E	91.6	Very high	83.9	Confident	83 Å²	83	70.5 Å²	70.5	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-67.5	-44.4	174.9	-71.3	-173.7	-167.6	0	0	110.8	V262 K269 V271 V272 E273 H278 A279	V262-E275 HydrophobicContact CG1-CB 4.08Å; K269-E275 WeakPolarHBondContact CE-OE2 3.24Å; K269-E275 IonicContact NZ-OE2 3.39Å; K269-E275 PolarHBondContact NZ-OE2 3.36Å; V271-E275 HydrophobicContact CG1-CB 4.21Å; V272-E275 HydrophobicContact CG2-CB 4.07Å; V272-E275 HydrophobicContact CG2-CG 3.69Å; V272-E275 WeakPolarHBondContact O-CB 3.31Å; V272-E275 PolarHBondContact O-N 3.35Å; E273-E275 VanDerWaalsContact C-N 3.27Å; E273-E275 PolarHBondContact O-N 2.88Å; E275-H278 PolarHBondContact O-N 3.49Å; E275-A279 PolarHBondContact O-N 2.9Å
276	F	93.8	Very high	85.8	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.3	-48.7	178.3	-168.7	-85.5	0	0	0	111.6	V255 I258 V271 V272 E273 H278 A279 A280 L286 V291 L294 F295	V255-F276 HydrophobicContact CB-CZ 4.4Å; V255-F276 HydrophobicContact CG1-CE2 4.26Å; V255-F276 HydrophobicContact CG1-CZ 3.82Å; I258-F276 HydrophobicContact CB-CE2 3.98Å; I258-F276 HydrophobicContact CB-CZ 3.82Å; I258-F276 HydrophobicContact CD1-CZ 4.41Å; I258-F276 HydrophobicContact CG2-CD1 4.45Å; I258-F276 HydrophobicContact CG2-CD2 4.09Å; I258-F276 HydrophobicContact CG2-CE1 4.02Å; I258-F276 HydrophobicContact CG2-CE2 3.64Å; I258-F276 HydrophobicContact CG2-CG 4.47Å; I258-F276 HydrophobicContact CG2-CZ 3.58Å; V271-F276 HydrophobicContact CG1-CB 3.92Å; V271-F276 HydrophobicContact CG1-CD2 4.27Å; V272-F276 PolarHBondContact O-N 2.8Å; E273-F276 PolarHBondContact O-N 3.31Å; E273-F276 VanDerWaalsContact O-N 3.13Å; F276-H278 VanDerWaalsContact C-N 3.27Å; F276-H278 PolarHBondContact O-N 2.71Å; F276-A279 PolarHBondContact O-N 2.86Å; F276-A280 HydrophobicContact CD1-CB 4.49Å; F276-A280 HydrophobicContact CE1-CB 4.38Å; F276-A280 WeakPolarHBondContact O-CB 3.28Å; F276-A280 PolarHBondContact O-N 3.36Å; F276-L286 HydrophobicContact CE1-CD2 3.78Å; F276-L286 HydrophobicContact CZ-CD2 4.28Å; F276-V291 HydrophobicContact CD1-CG1 3.74Å; F276-V291 HydrophobicContact CD1-CG2 4.11Å; F276-V291 HydrophobicContact CE1-CG1 4.26Å; F276-V291 HydrophobicContact CE1-CG2 3.93Å; F276-L294 HydrophobicContact CE1-CD2 4.14Å; F276-L294 HydrophobicContact CE2-CD2 4.41Å; F276-L294 HydrophobicContact CZ-CD2 4.04Å; F276-F295 HydrophobicContact CB-CE2 3.8Å; F276-F295 HydrophobicContact CB-CZ 3.84Å; F276-F295 HydrophobicContact CD1-CE2 4.17Å; F276-F295 AromaticContact CG-CE2 3.95Å; F276-F295 HydrophobicContact CG-CE2 3.95Å; F276-F295 HydrophobicContact CG-CZ 4.29Å
277	L	93.6	Very high	87.6	Confident	56 Å²	56	69.6 Å²	69.6	29%	0.293	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-39.1	176.3	-79.7	173.4	0	0	0	111.8	E273 A280 K281 V291	E273-L277 HydrophobicContact CG-CD1 3.76Å; E273-L277 HydrophobicContact CG-CG 4.12Å; E273-L277 WeakPolarHBondContact O-CB 3.19Å; E273-L277 PolarHBondContact O-N 2.86Å; L277-A280 PolarHBondContact O-N 3.15Å; L277-K281 WeakPolarHBondContact O-CG 3.43Å; L277-K281 PolarHBondContact O-N 3.1Å; L277-V291 HydrophobicContact CD2-CB 3.77Å; L277-V291 HydrophobicContact CD2-CG1 3.66Å; L277-V291 HydrophobicContact CD2-CG2 3.92Å; L277-V291 HydrophobicContact CG-CG1 3.87Å
278	H	91.5	Very high	89.1	Confident	131 Å²	131	73 Å²	73	61%	0.606	39%	0.389	S	S	*	.	H	α-helix	trans	-61.2	-45.6	177	-174.4	89.1	0	0	0	111.9	P274 E275 F276 K281	P274-H278 WeakPolarHBondContact O-CB 3.37Å; P274-H278 PolarHBondContact O-N 2.88Å; E275-H278 PolarHBondContact O-N 3.49Å; F276-H278 VanDerWaalsContact C-N 3.27Å; F276-H278 PolarHBondContact O-N 2.71Å; H278-K281 WeakPolarHBondContact O-CB 3.19Å; H278-K281 WeakPolarHBondContact O-CG 3.37Å; H278-K281 PolarHBondContact O-N 3.26Å
279	A	86.9	Confident	90.4	Very high	21 Å²	21	68.3 Å²	68.3	17%	0.174	37%	0.368	C	S	.	.	H	α-helix	trans	-72.7	-32	177.2	0	0	0	0	0	113.3	I258 V262 E275 F276 K281 E282	I258-A279 HydrophobicContact CG2-CB 4.02Å; V262-A279 HydrophobicContact CG2-CB 3.18Å; E275-A279 PolarHBondContact O-N 2.9Å; F276-A279 PolarHBondContact O-N 2.86Å; A279-K281 PolarHBondContact O-N 3.29Å; A279-E282 PolarHBondContact O-N 2.96Å
280	A	91.1	Very high	91.4	Very high	7 Å²	7	65.1 Å²	65.1	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-18.4	175.8	0	0	0	0	0	113	I258 F276 L277 E282 Y283 L286	I258-A280 HydrophobicContact CD1-CB 4.27Å; I258-A280 HydrophobicContact CG2-CB 4.39Å; F276-A280 HydrophobicContact CD1-CB 4.49Å; F276-A280 HydrophobicContact CE1-CB 4.38Å; F276-A280 WeakPolarHBondContact O-CB 3.28Å; F276-A280 PolarHBondContact O-N 3.36Å; L277-A280 PolarHBondContact O-N 3.15Å; A280-E282 PolarHBondContact O-N 2.9Å; A280-E282 VanDerWaalsContact O-N 3.15Å; A280-Y283 CarbonylContact O-C 3.45Å; A280-Y283 WeakPolarHBondContact O-CA 3.31Å; A280-Y283 PolarHBondContact O-N 3.04Å; A280-L286 HydrophobicContact CB-CD2 4.17Å
281	K	89.7	Confident	91.7	Very high	163 Å²	163	63.6 Å²	63.6	71%	0.709	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.4	177	-68.4	179.4	-178.3	-176.6	0	113.7	L277 H278 A279 Y283	L277-K281 WeakPolarHBondContact O-CG 3.43Å; L277-K281 PolarHBondContact O-N 3.1Å; H278-K281 WeakPolarHBondContact O-CB 3.19Å; H278-K281 WeakPolarHBondContact O-CG 3.37Å; H278-K281 PolarHBondContact O-N 3.26Å; A279-K281 PolarHBondContact O-N 3.29Å; K281-Y283 PolarHBondContact O-N 3.13Å
282	E	86.4	Confident	92.1	Very high	167 Å²	167	66.8 Å²	66.8	78%	0.78	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.6	176.4	-62.5	-174.7	170.9	0	0	112.7	A279 A280	A279-E282 PolarHBondContact O-N 2.96Å; A280-E282 PolarHBondContact O-N 2.9Å; A280-E282 VanDerWaalsContact O-N 3.15Å
283	Y	86.9	Confident	92.1	Very high	67 Å²	67	64 Å²	64	26%	0.263	34%	0.34	S	S	.	.			trans	-120	86.4	-173	-58.4	-87.4	0	0	0	110.7	L254 I258 A280 K281 Q285 L286	L254-Y283 HydrophobicContact CD1-CD1 3.49Å; L254-Y283 VanDerWaalsContact CD1-CD1 3.49Å; L254-Y283 HydrophobicContact CD1-CE1 3.91Å; L254-Y283 HydrophobicContact CD1-CG 4.08Å; I258-Y283 HydrophobicContact CD1-CD2 3.83Å; I258-Y283 HydrophobicContact CD1-CE2 4.46Å; I258-Y283 HydrophobicContact CD1-CG 3.98Å; I258-Y283 HydrophobicContact CG1-CD2 3.55Å; I258-Y283 HydrophobicContact CG1-CE2 3.68Å; I258-Y283 HydrophobicContact CG1-CG 4.02Å; A280-Y283 CarbonylContact O-C 3.45Å; A280-Y283 WeakPolarHBondContact O-CA 3.31Å; A280-Y283 PolarHBondContact O-N 3.04Å; K281-Y283 PolarHBondContact O-N 3.13Å; Y283-Q285 PolarHBondContact O-N 3.05Å; Y283-L286 PolarHBondContact O-N 3.24Å; Y283-L286 VanDerWaalsContact O-N 3.09Å
284	A	86.6	Confident	92.2	Very high	99 Å²	99	62.8 Å²	62.8	82%	0.818	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.6	-177.5	0	0	0	0	0	114.6	L286	A284-L286 VanDerWaalsContact C-N 3.32Å
285	Q	88.7	Confident	92.2	Very high	117 Å²	117	58.3 Å²	58.3	55%	0.547	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.8	179.1	-55.2	85.3	-5.5	0	0	113.3	K251 L254 Y283	K251-Q285 WeakPolarHBondContact CD-O 3.16Å; K251-Q285 WeakPolarHBondContact CE-O 3.46Å; K251-Q285 PolarHBondContact NZ-O 3.07Å; L254-Q285 HydrophobicContact CD2-CB 4.02Å; Y283-Q285 PolarHBondContact O-N 3.05Å
286	L	92.8	Very high	92.2	Very high	15 Å²	15	55 Å²	55	8%	0.079	29%	0.29	C	S	.	.	S	Bend	trans	-103.9	121.2	-176.3	-169.9	68.8	0	0	0	111.1	K251 V255 I258 F276 A280 Y283 A284 E290 V291	K251-L286 HydrophobicContact CD-CD1 4.41Å; V255-L286 HydrophobicContact CG2-CD1 4.04Å; V255-L286 HydrophobicContact CG2-CD2 4.15Å; I258-L286 HydrophobicContact CD1-CD2 3.64Å; F276-L286 HydrophobicContact CE1-CD2 3.78Å; F276-L286 HydrophobicContact CZ-CD2 4.28Å; A280-L286 HydrophobicContact CB-CD2 4.17Å; Y283-L286 PolarHBondContact O-N 3.24Å; Y283-L286 VanDerWaalsContact O-N 3.09Å; A284-L286 VanDerWaalsContact C-N 3.32Å; L286-E290 WeakPolarHBondContact CA-OE2 3.25Å; L286-E290 HydrophobicContact CD1-CB 3.79Å; L286-V291 HydrophobicContact CD2-CG2 3.68Å; L286-V291 HydrophobicContact CG-CG2 3.9Å
287	T	94.5	Very high	92.1	Very high	59 Å²	59	55 Å²	55	36%	0.362	29%	0.29	S	S	.	.			trans	-89.2	154.8	-177.3	67.3	0	0	0	0	112.1	L289 E290 V291	T287-L289 PolarHBondContact O-N 2.76Å; T287-E290 PolarHBondContact N-OE2 3.02Å; T287-E290 WeakPolarHBondContact O-CB 3.11Å; T287-E290 PolarHBondContact O-N 3.38Å; T287-E290 VanDerWaalsContact O-N 3.15Å; T287-E290 VanDerWaalsContact OG1-CD 3.27Å; T287-E290 VanDerWaalsContact OG1-CG 3.23Å; T287-E290 WeakPolarHBondContact OG1-CG 3.41Å; T287-E290 PolarHBondContact OG1-N 2.87Å; T287-E290 PolarHBondContact OG1-OE2 3Å; T287-E290 VanDerWaalsContact OG1-OE2 3.07Å; T287-V291 PolarHBondContact O-N 2.81Å; T287-V291 VanDerWaalsContact O-N 3.14Å
288	P	95.3	Very high	92	Very high	96 Å²	96	52.4 Å²	52.4	62%	0.623	28%	0.277	S	S	*	.	H	α-helix	trans	-57.8	-34.2	174.2	-26.1	35.3	0	0	0	113.6	V291 E292	P288-V291 PolarHBondContact O-N 2.79Å; P288-E292 PolarHBondContact O-N 3.15Å
289	L	95.5	Very high	91.9	Very high	67 Å²	67	48.8 Å²	48.8	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-69.1	-36.7	177.9	-176	59.3	0	0	0	112.1	M241 A244 T287 V291 E292 I293	M241-L289 HydrophobicContact SD-CD1 4.12Å; A244-L289 HydrophobicContact CB-CB 4.14Å; A244-L289 HydrophobicContact CB-CD2 3.6Å; A244-L289 HydrophobicContact CB-CG 3.62Å; T287-L289 PolarHBondContact O-N 2.76Å; L289-V291 VanDerWaalsContact C-N 3.3Å; L289-E292 WeakPolarHBondContact O-CB 3.28Å; L289-E292 PolarHBondContact O-N 2.77Å; L289-I293 HydrophobicContact CG-CD1 4.45Å; L289-I293 VanDerWaalsContact O-CG1 3.25Å; L289-I293 WeakPolarHBondContact O-CG1 3.4Å; L289-I293 PolarHBondContact O-N 3.25Å
290	E	96.8	Very high	91.9	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-39.5	171.9	-74.6	163.3	159.3	0	0	111.3	A244 G247 L248 K251 L286 T287 I293 L294	A244-E290 HydrophobicContact CB-CG 4.05Å; A244-E290 VanDerWaalsContact O-CG 3.29Å; A244-E290 WeakPolarHBondContact O-CG 3.36Å; G247-E290 WeakPolarHBondContact CA-OE1 3.23Å; L248-E290 HydrophobicContact CB-CB 4.23Å; L248-E290 HydrophobicContact CB-CG 4.23Å; K251-E290 VanDerWaalsContact NZ-CD 3.34Å; K251-E290 IonicContact NZ-OE1 3.59Å; K251-E290 PolarHBondContact NZ-OE1 2.88Å; K251-E290 IonicContact NZ-OE2 2.95Å; K251-E290 PolarHBondContact NZ-OE2 3.09Å; L286-E290 WeakPolarHBondContact CA-OE2 3.25Å; L286-E290 HydrophobicContact CD1-CB 3.79Å; T287-E290 PolarHBondContact N-OE2 3.02Å; T287-E290 WeakPolarHBondContact O-CB 3.11Å; T287-E290 PolarHBondContact O-N 3.38Å; T287-E290 VanDerWaalsContact O-N 3.15Å; T287-E290 VanDerWaalsContact OG1-CD 3.27Å; T287-E290 VanDerWaalsContact OG1-CG 3.23Å; T287-E290 WeakPolarHBondContact OG1-CG 3.41Å; T287-E290 PolarHBondContact OG1-N 2.87Å; T287-E290 PolarHBondContact OG1-OE2 3Å; T287-E290 VanDerWaalsContact OG1-OE2 3.07Å; E290-I293 PolarHBondContact O-N 2.93Å; E290-L294 PolarHBondContact O-N 2.97Å
291	V	95.4	Very high	91.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-41.9	174.9	-179.7	0	0	0	0	111.5	E273 F276 L277 L286 T287 P288 L289 I293 L294 F295	E273-V291 HydrophobicContact CG-CG1 4.4Å; F276-V291 HydrophobicContact CD1-CG1 3.74Å; F276-V291 HydrophobicContact CD1-CG2 4.11Å; F276-V291 HydrophobicContact CE1-CG1 4.26Å; F276-V291 HydrophobicContact CE1-CG2 3.93Å; L277-V291 HydrophobicContact CD2-CB 3.77Å; L277-V291 HydrophobicContact CD2-CG1 3.66Å; L277-V291 HydrophobicContact CD2-CG2 3.92Å; L277-V291 HydrophobicContact CG-CG1 3.87Å; L286-V291 HydrophobicContact CD2-CG2 3.68Å; L286-V291 HydrophobicContact CG-CG2 3.9Å; T287-V291 PolarHBondContact O-N 2.81Å; T287-V291 VanDerWaalsContact O-N 3.14Å; P288-V291 PolarHBondContact O-N 2.79Å; L289-V291 VanDerWaalsContact C-N 3.3Å; V291-I293 VanDerWaalsContact C-N 3.31Å; V291-I293 PolarHBondContact O-N 3.4Å; V291-L294 WeakPolarHBondContact O-CB 3.44Å; V291-L294 PolarHBondContact O-N 3.45Å; V291-L294 VanDerWaalsContact O-N 3.16Å; V291-F295 HydrophobicContact CG1-CD2 3.75Å; V291-F295 HydrophobicContact CG1-CE2 3.87Å; V291-F295 WeakPolarHBondContact O-CD2 3.46Å; V291-F295 PolarHBondContact O-N 3.33Å
292	E	94.8	Very high	91.5	Very high	67 Å²	67	43.6 Å²	43.6	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-56.1	-47.1	174	-171.7	80	-157.8	0	0	110.7	P288 L289 L294 F295 N296 R306	P288-E292 PolarHBondContact O-N 3.15Å; L289-E292 WeakPolarHBondContact O-CB 3.28Å; L289-E292 PolarHBondContact O-N 2.77Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 3.49Å; E292-F295 PolarHBondContact O-N 2.96Å; E292-N296 WeakPolarHBondContact O-CB 3.4Å; E292-N296 PolarHBondContact O-N 3.39Å; E292-N296 PolarHBondContact O-ND2 3.2Å; E292-N296 PolarHBondContact O-OD1 2.88Å; E292-R306 IonicContact OE1-CZ 2.71Å; E292-R306 IonicContact OE1-NH1 3.09Å; E292-R306 PolarHBondContact OE1-NH1 3.22Å; E292-R306 IonicContact OE1-NH2 3.23Å; E292-R306 PolarHBondContact OE1-NH2 3.2Å; E292-R306 IonicContact OE2-NH2 2.93Å; E292-R306 PolarHBondContact OE2-NH2 3.04Å
293	I	94.7	Very high	91.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-41.6	178	-65.1	166.3	0	0	0	111.1	F228 M241 A244 F245 L248 L289 E290 V291 F295 N296 F297	F228-I293 HydrophobicContact CZ-CG2 4.21Å; M241-I293 HydrophobicContact CE-CD1 3.95Å; M241-I293 HydrophobicContact CE-CG1 3.68Å; M241-I293 HydrophobicContact SD-CD1 3.82Å; M241-I293 HydrophobicContact SD-CG1 4.02Å; A244-I293 HydrophobicContact CB-CD1 3.69Å; F245-I293 HydrophobicContact CB-CD1 4.12Å; F245-I293 HydrophobicContact CD2-CG2 3.73Å; F245-I293 HydrophobicContact CE2-CG2 4.14Å; L248-I293 HydrophobicContact CD2-CB 3.9Å; L248-I293 HydrophobicContact CD2-CG2 3.52Å; L289-I293 HydrophobicContact CG-CD1 4.45Å; L289-I293 VanDerWaalsContact O-CG1 3.25Å; L289-I293 WeakPolarHBondContact O-CG1 3.4Å; L289-I293 PolarHBondContact O-N 3.25Å; E290-I293 PolarHBondContact O-N 2.93Å; V291-I293 VanDerWaalsContact C-N 3.31Å; V291-I293 PolarHBondContact O-N 3.4Å; I293-F295 PolarHBondContact O-N 2.85Å; I293-N296 PolarHBondContact O-N 3.33Å; I293-F297 HydrophobicContact CG2-CD2 4.07Å; I293-F297 HydrophobicContact CG2-CE2 4.01Å; I293-F297 WeakPolarHBondContact O-CD2 3.41Å; I293-F297 PolarHBondContact O-N 3.41Å
294	L	95.2	Very high	90.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-46.9	175.9	169.6	66.5	0	0	0	111.6	L248 V255 F276 E290 V291 E292 F297 A298 V308 L313 L316	L248-L294 HydrophobicContact CD1-CB 4.03Å; L248-L294 HydrophobicContact CD2-CB 4.08Å; V255-L294 HydrophobicContact CG1-CD1 4.25Å; V255-L294 HydrophobicContact CG1-CD2 3.52Å; F276-L294 HydrophobicContact CE1-CD2 4.14Å; F276-L294 HydrophobicContact CE2-CD2 4.41Å; F276-L294 HydrophobicContact CZ-CD2 4.04Å; E290-L294 PolarHBondContact O-N 2.97Å; V291-L294 WeakPolarHBondContact O-CB 3.44Å; V291-L294 PolarHBondContact O-N 3.45Å; V291-L294 VanDerWaalsContact O-N 3.16Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 3.49Å; L294-F297 WeakPolarHBondContact O-CB 3.39Å; L294-F297 PolarHBondContact O-N 3.47Å; L294-A298 PolarHBondContact O-N 2.69Å; L294-V308 HydrophobicContact CD1-CG2 4.37Å; L294-V308 HydrophobicContact CD2-CG2 4.37Å; L294-V308 HydrophobicContact CG-CG2 4.03Å; L294-L313 HydrophobicContact CD1-CD2 3.62Å; L294-L313 HydrophobicContact CD2-CD2 4.47Å; L294-L316 HydrophobicContact CD1-CD1 3.51Å
295	F	94.7	Very high	90.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.4	-30.7	-178.9	-85.3	-87.9	0	0	0	112.8	V271 E273 F276 V291 E292 I293 F297 A298 E299 R306 V308	V271-F295 WeakPolarHBondContact O-CE1 3.26Å; E273-F295 HydrophobicContact CB-CD1 3.73Å; E273-F295 HydrophobicContact CB-CD2 3.86Å; E273-F295 HydrophobicContact CB-CE1 3.7Å; E273-F295 HydrophobicContact CB-CE2 3.86Å; E273-F295 HydrophobicContact CB-CG 3.81Å; E273-F295 HydrophobicContact CB-CZ 3.79Å; E273-F295 HydrophobicContact CG-CD2 3.96Å; E273-F295 HydrophobicContact CG-CE2 4.17Å; E273-F295 HydrophobicContact CG-CG 4.21Å; F276-F295 HydrophobicContact CB-CE2 3.8Å; F276-F295 HydrophobicContact CB-CZ 3.84Å; F276-F295 HydrophobicContact CD1-CE2 4.17Å; F276-F295 AromaticContact CG-CE2 3.95Å; F276-F295 HydrophobicContact CG-CE2 3.95Å; F276-F295 HydrophobicContact CG-CZ 4.29Å; V291-F295 HydrophobicContact CG1-CD2 3.75Å; V291-F295 HydrophobicContact CG1-CE2 3.87Å; V291-F295 WeakPolarHBondContact O-CD2 3.46Å; V291-F295 PolarHBondContact O-N 3.33Å; E292-F295 PolarHBondContact O-N 2.96Å; I293-F295 PolarHBondContact O-N 2.85Å; F295-F297 VanDerWaalsContact C-N 3.31Å; F295-F297 PolarHBondContact O-N 3.49Å; F295-A298 WeakPolarHBondContact O-CB 3.39Å; F295-A298 PolarHBondContact O-N 3.46Å; F295-A298 VanDerWaalsContact O-N 3.16Å; F295-E299 PolarHBondContact O-N 3.1Å; F295-R306 HydrophobicContact CB-CG 4Å; F295-R306 HydrophobicContact CD1-CG 3.87Å; F295-R306 WeakPolarHBondContact CD1-O 3.3Å; F295-R306 HydrophobicContact CG-CG 4.34Å; F295-V308 HydrophobicContact CD1-CG2 3.87Å; F295-V308 HydrophobicContact CD2-CG2 4.26Å; F295-V308 HydrophobicContact CE1-CB 4.23Å; F295-V308 HydrophobicContact CE1-CG2 3.61Å; F295-V308 HydrophobicContact CE2-CG2 4.01Å; F295-V308 HydrophobicContact CG-CG2 4.2Å; F295-V308 HydrophobicContact CZ-CB 4.17Å; F295-V308 HydrophobicContact CZ-CG2 3.67Å
296	N	92.4	Very high	90.7	Very high	14 Å²	14	42 Å²	42	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-39.1	169.9	-71	-8.6	0	0	0	111.4	F228 H232 E292 I293 E299 V300	F228-N296 HydrophobicContact CD2-CB 4.46Å; F228-N296 HydrophobicContact CE2-CB 3.48Å; F228-N296 VanDerWaalsContact CE2-CB 3.48Å; F228-N296 HydrophobicContact CZ-CB 3.95Å; H232-N296 WeakPolarHBondContact NE2-CB 3.45Å; H232-N296 VanDerWaalsContact NE2-CG 3.34Å; E292-N296 WeakPolarHBondContact O-CB 3.4Å; E292-N296 PolarHBondContact O-N 3.39Å; E292-N296 PolarHBondContact O-ND2 3.2Å; E292-N296 PolarHBondContact O-OD1 2.88Å; I293-N296 PolarHBondContact O-N 3.33Å; N296-E299 PolarHBondContact O-N 2.72Å; N296-V300 WeakPolarHBondContact O-CG2 3.35Å; N296-V300 PolarHBondContact O-N 2.67Å; N296-V300 VanDerWaalsContact O-N 3.1Å
297	F	91.5	Very high	90.6	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-40	171.1	-91.8	-59.1	0	0	0	112.9	F220 V221 F228 F245 I293 L294 F295 E299 V300 M301 L316	F220-F297 HydrophobicContact CE1-CD1 4.14Å; V221-F297 HydrophobicContact CG1-CE1 4.33Å; V221-F297 HydrophobicContact CG1-CZ 3.91Å; V221-F297 HydrophobicContact CG2-CE1 4.4Å; V221-F297 HydrophobicContact CG2-CZ 4.39Å; F228-F297 HydrophobicContact CB-CE1 4.41Å; F228-F297 AromaticContact CD2-CD1 3.93Å; F228-F297 HydrophobicContact CD2-CD1 3.93Å; F228-F297 HydrophobicContact CD2-CD2 4.43Å; F228-F297 AromaticContact CD2-CE1 3.87Å; F228-F297 HydrophobicContact CD2-CE1 3.87Å; F228-F297 HydrophobicContact CD2-CE2 4.38Å; F228-F297 HydrophobicContact CD2-CG 4.2Å; F228-F297 HydrophobicContact CD2-CZ 4.09Å; F228-F297 HydrophobicContact CE2-CD1 4.42Å; F228-F297 HydrophobicContact CE2-CD2 4.15Å; F228-F297 HydrophobicContact CE2-CE1 4.49Å; F228-F297 HydrophobicContact CE2-CE2 4.23Å; F228-F297 HydrophobicContact CE2-CG 4.23Å; F228-F297 HydrophobicContact CE2-CZ 4.39Å; F228-F297 HydrophobicContact CG-CE1 4.31Å; F228-F297 HydrophobicContact CG-CZ 4.43Å; F245-F297 HydrophobicContact CD2-CE2 4.42Å; F245-F297 AromaticContact CE2-CE2 3.48Å; F245-F297 HydrophobicContact CE2-CE2 3.48Å; F245-F297 VanDerWaalsContact CE2-CE2 3.48Å; F245-F297 AromaticContact CE2-CZ 3.58Å; F245-F297 HydrophobicContact CE2-CZ 3.58Å; F245-F297 AromaticContact CZ-CE2 3.68Å; F245-F297 HydrophobicContact CZ-CE2 3.68Å; F245-F297 AromaticContact CZ-CZ 3.54Å; F245-F297 HydrophobicContact CZ-CZ 3.54Å; I293-F297 HydrophobicContact CG2-CD2 4.07Å; I293-F297 HydrophobicContact CG2-CE2 4.01Å; I293-F297 WeakPolarHBondContact O-CD2 3.41Å; I293-F297 PolarHBondContact O-N 3.41Å; L294-F297 WeakPolarHBondContact O-CB 3.39Å; L294-F297 PolarHBondContact O-N 3.47Å; F295-F297 VanDerWaalsContact C-N 3.31Å; F295-F297 PolarHBondContact O-N 3.49Å; F297-E299 VanDerWaalsContact C-N 3.28Å; F297-E299 PolarHBondContact O-N 3.02Å; F297-V300 WeakPolarHBondContact O-CB 3.44Å; F297-V300 PolarHBondContact O-N 3.28Å; F297-M301 PolarHBondContact O-N 2.75Å; F297-M301 VanDerWaalsContact O-N 3.12Å; F297-L316 HydrophobicContact CB-CD1 4.04Å; F297-L316 HydrophobicContact CB-CD2 3.8Å; F297-L316 HydrophobicContact CD1-CD2 3.82Å; F297-L316 HydrophobicContact CD2-CD2 4.08Å; F297-L316 HydrophobicContact CE1-CD2 4.44Å; F297-L316 HydrophobicContact CG-CD1 4.48Å; F297-L316 HydrophobicContact CG-CD2 3.63Å
298	A	90.3	Very high	90.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-38.5	176.9	0	0	0	0	0	111.5	L294 F295 V300 M301 H302 E307 V308	L294-A298 PolarHBondContact O-N 2.69Å; F295-A298 WeakPolarHBondContact O-CB 3.39Å; F295-A298 PolarHBondContact O-N 3.46Å; F295-A298 VanDerWaalsContact O-N 3.16Å; A298-V300 VanDerWaalsContact C-N 3.34Å; A298-V300 PolarHBondContact O-N 2.95Å; A298-M301 WeakPolarHBondContact O-CB 3.09Å; A298-M301 PolarHBondContact O-N 2.94Å; A298-M301 VanDerWaalsContact O-N 3.14Å; A298-H302 PolarHBondContact O-CD2 3.41Å; A298-H302 PolarHBondContact O-N 2.72Å; A298-E307 WeakPolarHBondContact CB-O 3.33Å; A298-V308 HydrophobicContact CB-CG2 3.67Å
299	E	89.4	Confident	90.1	Very high	55 Å²	55	37.1 Å²	37.1	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-68.2	-32.1	175.4	-170.8	179.2	171.8	0	0	112.7	R231 F295 N296 F297 M301 H302	R231-E299 VanDerWaalsContact CZ-O 3.28Å; R231-E299 PolarHBondContact NH1-O 3.25Å; R231-E299 PolarHBondContact NH2-O 2.91Å; F295-E299 PolarHBondContact O-N 3.1Å; N296-E299 PolarHBondContact O-N 2.72Å; F297-E299 VanDerWaalsContact C-N 3.28Å; F297-E299 PolarHBondContact O-N 3.02Å; E299-M301 VanDerWaalsContact C-N 3.32Å; E299-H302 CarbonylContact O-C 3.54Å; E299-H302 VanDerWaalsContact O-C 3.29Å; E299-H302 VanDerWaalsContact O-O 3.05Å
300	V	87.4	Confident	89.5	Confident	11 Å²	11	34.7 Å²	34.7	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-43.6	169.5	174.3	0	0	0	0	110.2	F220 H224 F228 R231 N296 F297 A298	F220-V300 HydrophobicContact CZ-CG1 4.27Å; H224-V300 HydrophobicContact CB-CG1 4.35Å; F228-V300 HydrophobicContact CD2-CG2 4.25Å; R231-V300 PolarHBondContact NH1-O 3.38Å; N296-V300 WeakPolarHBondContact O-CG2 3.35Å; N296-V300 PolarHBondContact O-N 2.67Å; N296-V300 VanDerWaalsContact O-N 3.1Å; F297-V300 WeakPolarHBondContact O-CB 3.44Å; F297-V300 PolarHBondContact O-N 3.28Å; A298-V300 VanDerWaalsContact C-N 3.34Å; A298-V300 PolarHBondContact O-N 2.95Å
301	M	86.7	Confident	88.8	Confident	29 Å²	29	38.1 Å²	38.1	14%	0.143	20%	0.199	C	C	.	.	H	α-helix	trans	-72.1	-38.7	178.4	-66.1	-172.9	-171.3	0	0	114	F220 F297 A298 E299 D312 R315 L316	F220-M301 HydrophobicContact CD1-CE 3.33Å; F220-M301 HydrophobicContact CD2-CE 4.13Å; F220-M301 HydrophobicContact CE1-CE 3.11Å; F220-M301 HydrophobicContact CE1-CG 3.95Å; F220-M301 HydrophobicContact CE1-SD 4.37Å; F220-M301 HydrophobicContact CE2-CE 3.93Å; F220-M301 HydrophobicContact CE2-CG 3.76Å; F220-M301 HydrophobicContact CE2-SD 4.49Å; F220-M301 HydrophobicContact CG-CE 3.87Å; F220-M301 HydrophobicContact CZ-CE 3.44Å; F220-M301 VanDerWaalsContact CZ-CE 3.44Å; F220-M301 HydrophobicContact CZ-CG 3.29Å; F220-M301 HydrophobicContact CZ-SD 4.17Å; F297-M301 PolarHBondContact O-N 2.75Å; F297-M301 VanDerWaalsContact O-N 3.12Å; A298-M301 WeakPolarHBondContact O-CB 3.09Å; A298-M301 PolarHBondContact O-N 2.94Å; A298-M301 VanDerWaalsContact O-N 3.14Å; E299-M301 VanDerWaalsContact C-N 3.32Å; M301-D312 HydrophobicContact SD-CB 3.65Å; M301-R315 HydrophobicContact CE-CB 3.45Å; M301-R315 VanDerWaalsContact CE-CB 3.45Å; M301-R315 HydrophobicContact CE-CG 4.38Å; M301-R315 HydrophobicContact SD-CB 4.22Å; M301-L316 HydrophobicContact CE-CD2 3.76Å; M301-L316 HydrophobicContact CE-CG 3.95Å
302	H	85.7	Confident	88.4	Confident	42 Å²	42	38.1 Å²	38.1	19%	0.194	20%	0.199	C	C	.	.	S	Bend	trans	-119.2	94.3	-177.7	-56.5	-67.7	0	0	0	108.9	A298 E299 G304 R305 D312	A298-H302 PolarHBondContact O-CD2 3.41Å; A298-H302 PolarHBondContact O-N 2.72Å; E299-H302 CarbonylContact O-C 3.54Å; E299-H302 VanDerWaalsContact O-C 3.29Å; E299-H302 VanDerWaalsContact O-O 3.05Å; H302-G304 PolarHBondContact O-N 3.07Å; H302-R305 HydrophobicContact CB-CB 3.93Å; H302-R305 HydrophobicContact CB-CG 4.46Å; H302-R305 PolarHBondContact O-N 3.39Å; H302-D312 IonicContact CD2-OD1 3.32Å; H302-D312 IonicContact CD2-OD2 3.19Å; H302-D312 IonicContact CE1-OD1 3.52Å; H302-D312 IonicContact CE1-OD2 3.11Å; H302-D312 IonicContact NE2-OD1 2.7Å; H302-D312 PolarHBondContact NE2-OD1 3.12Å; H302-D312 IonicContact NE2-OD2 3Å; H302-D312 PolarHBondContact NE2-OD2 3.38Å
303	T	78.3	Confident	88	Confident	116 Å²	116	35 Å²	35	71%	0.712	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	112.2	-179	52.5	0	0	0	0	111.7
304	G	77.5	Confident	87.4	Confident	65 Å²	65	35.5 Å²	35.5	67%	0.67	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	6.5	177.6	0	0	0	0	0	116.1	H302	H302-G304 PolarHBondContact O-N 3.07Å
305	R	85.8	Confident	86.8	Confident	145 Å²	145	40.7 Å²	40.7	55%	0.547	21%	0.207	S	C	.	.			trans	-115.8	119.8	175.8	-52.1	-173.2	-150	164.3	7.5	111	H302 E307	H302-R305 HydrophobicContact CB-CB 3.93Å; H302-R305 HydrophobicContact CB-CG 4.46Å; H302-R305 PolarHBondContact O-N 3.39Å; R305-E307 VanDerWaalsContact C-N 3.29Å; R305-E307 HydrophobicContact CB-CG 4Å; R305-E307 WeakPolarHBondContact CD-OE1 3.26Å; R305-E307 IonicContact NH1-OE1 3.86Å; R305-E307 PolarHBondContact O-N 3.4Å
306	R	89.8	Confident	86.4	Confident	90 Å²	90	40.9 Å²	40.9	34%	0.34	21%	0.208	S	C	.	.			trans	-94.2	60.7	177.5	-162.3	166.9	165.1	149.2	-4.7	110.2	E273 E292 F295	E273-R306 IonicContact OE1-CZ 3.86Å; E273-R306 IonicContact OE1-NE 3.99Å; E273-R306 IonicContact OE1-NH2 2.95Å; E273-R306 PolarHBondContact OE1-NH2 2.82Å; E273-R306 IonicContact OE2-CZ 3.67Å; E273-R306 IonicContact OE2-NE 2.79Å; E273-R306 PolarHBondContact OE2-NE 3.35Å; E273-R306 IonicContact OE2-NH2 3.85Å; E273-R306 PolarHBondContact OE2-NH2 3.05Å; E292-R306 IonicContact OE1-CZ 2.71Å; E292-R306 IonicContact OE1-NH1 3.09Å; E292-R306 PolarHBondContact OE1-NH1 3.22Å; E292-R306 IonicContact OE1-NH2 3.23Å; E292-R306 PolarHBondContact OE1-NH2 3.2Å; E292-R306 IonicContact OE2-NH2 2.93Å; E292-R306 PolarHBondContact OE2-NH2 3.04Å; F295-R306 HydrophobicContact CB-CG 4Å; F295-R306 HydrophobicContact CD1-CG 3.87Å; F295-R306 WeakPolarHBondContact CD1-O 3.3Å; F295-R306 HydrophobicContact CG-CG 4.34Å
307	E	92.3	Very high	85.8	Confident	46 Å²	46	41.2 Å²	41.2	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.2	-178.2	69.5	-170.7	175.9	0	0	110.6	A270 V271 A298 R305	A270-E307 HydrophobicContact CB-CB 4.08Å; A270-E307 HydrophobicContact CB-CG 3.97Å; A270-E307 VanDerWaalsContact CB-OE2 3.25Å; A270-E307 WeakPolarHBondContact CB-OE2 3.32Å; V271-E307 WeakPolarHBondContact O-CA 3.17Å; A298-E307 WeakPolarHBondContact CB-O 3.33Å; R305-E307 VanDerWaalsContact C-N 3.29Å; R305-E307 HydrophobicContact CB-CG 4Å; R305-E307 WeakPolarHBondContact CD-OE1 3.26Å; R305-E307 IonicContact NH1-OE1 3.86Å; R305-E307 PolarHBondContact O-N 3.4Å
308	V	91.1	Very high	84.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131	178.5	172.9	0	0	0	0	108.7	Y259 V271 L294 F295 A298 L313	Y259-V308 HydrophobicContact CD2-CG1 4.38Å; Y259-V308 WeakPolarHBondContact CE2-O 3.46Å; V271-V308 PolarHBondContact N-O 3.36Å; V271-V308 PolarHBondContact O-N 2.88Å; L294-V308 HydrophobicContact CD1-CG2 4.37Å; L294-V308 HydrophobicContact CD2-CG2 4.37Å; L294-V308 HydrophobicContact CG-CG2 4.03Å; F295-V308 HydrophobicContact CD1-CG2 3.87Å; F295-V308 HydrophobicContact CD2-CG2 4.26Å; F295-V308 HydrophobicContact CE1-CB 4.23Å; F295-V308 HydrophobicContact CE1-CG2 3.61Å; F295-V308 HydrophobicContact CE2-CG2 4.01Å; F295-V308 HydrophobicContact CG-CG2 4.2Å; F295-V308 HydrophobicContact CZ-CB 4.17Å; F295-V308 HydrophobicContact CZ-CG2 3.67Å; A298-V308 HydrophobicContact CB-CG2 3.67Å; V308-L313 HydrophobicContact CG1-CD1 4.22Å; V308-L313 HydrophobicContact CG1-CD2 3.62Å; V308-L313 HydrophobicContact CG1-CG 3.66Å
309	T	87.5	Confident	83.1	Confident	22 Å²	22	43.9 Å²	43.9	14%	0.135	22%	0.224	C	C	.	.			trans	-106.9	165.4	168	70.2	0	0	0	0	110.5	A270 N311 D312 L313	A270-T309 HydrophobicContact CB-CG2 4.3Å; T309-N311 PolarHBondContact O-N 3.24Å; T309-N311 PolarHBondContact OG1-N 3.18Å; T309-D312 WeakPolarHBondContact CB-OD2 3.29Å; T309-D312 PolarHBondContact N-OD2 3.13Å; T309-D312 WeakPolarHBondContact O-CB 3.21Å; T309-D312 PolarHBondContact O-N 3.5Å; T309-D312 PolarHBondContact OG1-N 2.75Å; T309-D312 PolarHBondContact OG1-OD1 3.34Å; T309-D312 PolarHBondContact OG1-OD2 2.71Å; T309-L313 PolarHBondContact O-N 3.34Å
310	F	82.3	Confident	81	Confident	16 Å²	16	44.4 Å²	44.4	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-39.4	173.4	-170.4	-98.3	0	0	0	111.6	Y259 L260 L267 D312 L313 T314 Y326	Y259-F310 HydrophobicContact CD1-CB 4.4Å; Y259-F310 HydrophobicContact CD1-CD2 4.05Å; Y259-F310 HydrophobicContact CE1-CB 3.62Å; Y259-F310 AromaticContact CE1-CD2 3.97Å; Y259-F310 HydrophobicContact CE1-CD2 3.97Å; Y259-F310 HydrophobicContact CE1-CG 4.31Å; Y259-F310 VanDerWaalsContact CZ-N 3.25Å; Y259-F310 PolarHBondContact OH-N 3.08Å; Y259-F310 VanDerWaalsContact OH-N 3.14Å; L260-F310 HydrophobicContact CD2-CD2 4.17Å; L260-F310 HydrophobicContact CD2-CE2 4.2Å; L267-F310 HydrophobicContact CB-CB 4.06Å; L267-F310 HydrophobicContact CB-CG 4.4Å; L267-F310 HydrophobicContact CD1-CB 4.24Å; L267-F310 HydrophobicContact CD1-CD1 3.42Å; L267-F310 VanDerWaalsContact CD1-CD1 3.42Å; L267-F310 HydrophobicContact CD1-CD2 4.34Å; L267-F310 HydrophobicContact CD1-CE1 3.67Å; L267-F310 HydrophobicContact CD1-CG 3.75Å; L267-F310 HydrophobicContact CD1-CZ 4.25Å; L267-F310 HydrophobicContact CD2-CB 4.05Å; L267-F310 HydrophobicContact CD2-CD1 4.21Å; L267-F310 HydrophobicContact CD2-CD2 3.62Å; L267-F310 HydrophobicContact CD2-CE2 4.02Å; L267-F310 HydrophobicContact CD2-CG 3.7Å; L267-F310 HydrophobicContact CD2-CZ 4.45Å; L267-F310 HydrophobicContact CG-CB 4.36Å; L267-F310 HydrophobicContact CG-CD1 4.33Å; L267-F310 HydrophobicContact CG-CG 4.17Å; L267-F310 WeakPolarHBondContact O-CB 3.49Å; F310-D312 PolarHBondContact O-N 3.47Å; F310-L313 PolarHBondContact O-N 2.87Å; F310-T314 HydrophobicContact CD1-CG2 3.57Å; F310-T314 HydrophobicContact CE1-CG2 3.41Å; F310-T314 VanDerWaalsContact CE1-CG2 3.41Å; F310-T314 HydrophobicContact CG-CG2 4.39Å; F310-T314 HydrophobicContact CZ-CG2 4.08Å; F310-T314 WeakPolarHBondContact O-CG2 3.33Å; F310-T314 PolarHBondContact O-N 2.82Å; F310-T314 PolarHBondContact O-OG1 3.16Å; F310-Y326 HydrophobicContact CE1-CE2 4.37Å; F310-Y326 AromaticContact CZ-CE2 3.92Å; F310-Y326 HydrophobicContact CZ-CE2 3.92Å
311	N	82.4	Confident	78.9	Confident	79 Å²	79	46.1 Å²	46.1	42%	0.422	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-30.9	178.9	-179.1	72.1	0	0	0	112.3	T309 T314 R315	T309-N311 PolarHBondContact O-N 3.24Å; T309-N311 PolarHBondContact OG1-N 3.18Å; N311-T314 WeakPolarHBondContact CA-OG1 3.41Å; N311-T314 PolarHBondContact O-N 3.36Å; N311-T314 PolarHBondContact O-OG1 3.05Å; N311-R315 PolarHBondContact ND2-NE 3.08Å; N311-R315 WeakPolarHBondContact O-CG 3.49Å; N311-R315 PolarHBondContact O-N 3.23Å
312	D	87.9	Confident	76.7	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-72.8	-45.2	177.6	-52.5	-38.7	0	0	0	110.9	M301 H302 T309 F310 T314 R315 L316	M301-D312 HydrophobicContact SD-CB 3.65Å; H302-D312 IonicContact CD2-OD1 3.32Å; H302-D312 IonicContact CD2-OD2 3.19Å; H302-D312 IonicContact CE1-OD1 3.52Å; H302-D312 IonicContact CE1-OD2 3.11Å; H302-D312 IonicContact NE2-OD1 2.7Å; H302-D312 PolarHBondContact NE2-OD1 3.12Å; H302-D312 IonicContact NE2-OD2 3Å; H302-D312 PolarHBondContact NE2-OD2 3.38Å; T309-D312 WeakPolarHBondContact CB-OD2 3.29Å; T309-D312 PolarHBondContact N-OD2 3.13Å; T309-D312 WeakPolarHBondContact O-CB 3.21Å; T309-D312 PolarHBondContact O-N 3.5Å; T309-D312 PolarHBondContact OG1-N 2.75Å; T309-D312 PolarHBondContact OG1-OD1 3.34Å; T309-D312 PolarHBondContact OG1-OD2 2.71Å; F310-D312 PolarHBondContact O-N 3.47Å; D312-T314 PolarHBondContact O-N 2.89Å; D312-R315 WeakPolarHBondContact O-CB 3.37Å; D312-R315 PolarHBondContact O-N 3.22Å; D312-L316 WeakPolarHBondContact O-CG 3.47Å; D312-L316 PolarHBondContact O-N 3.39Å
313	L	86.5	Confident	74.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-33.7	173.5	-62.3	-177.9	0	0	0	112.3	V255 R256 Y259 L294 V308 T309 F310 R315 L316 H317	V255-L313 HydrophobicContact CG1-CD1 4.33Å; V255-L313 HydrophobicContact CG1-CD2 3.55Å; R256-L313 HydrophobicContact CG-CB 4.07Å; R256-L313 HydrophobicContact CG-CD1 4.01Å; Y259-L313 HydrophobicContact CD1-CD1 4.14Å; Y259-L313 HydrophobicContact CD2-CD1 4.16Å; Y259-L313 HydrophobicContact CG-CD1 3.66Å; L294-L313 HydrophobicContact CD1-CD2 3.62Å; L294-L313 HydrophobicContact CD2-CD2 4.47Å; V308-L313 HydrophobicContact CG1-CD1 4.22Å; V308-L313 HydrophobicContact CG1-CD2 3.62Å; V308-L313 HydrophobicContact CG1-CG 3.66Å; T309-L313 PolarHBondContact O-N 3.34Å; F310-L313 PolarHBondContact O-N 2.87Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-L316 PolarHBondContact O-N 2.93Å; L313-H317 PolarHBondContact O-N 3.24Å; L313-H317 VanDerWaalsContact O-N 3.12Å
314	T	80	Confident	72.2	Confident	11 Å²	11	51 Å²	51	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-72.6	-28.1	177.6	63.1	0	0	0	0	114	F310 N311 D312 P321	F310-T314 HydrophobicContact CD1-CG2 3.57Å; F310-T314 HydrophobicContact CE1-CG2 3.41Å; F310-T314 VanDerWaalsContact CE1-CG2 3.41Å; F310-T314 HydrophobicContact CG-CG2 4.39Å; F310-T314 HydrophobicContact CZ-CG2 4.08Å; F310-T314 WeakPolarHBondContact O-CG2 3.33Å; F310-T314 PolarHBondContact O-N 2.82Å; F310-T314 PolarHBondContact O-OG1 3.16Å; N311-T314 WeakPolarHBondContact CA-OG1 3.41Å; N311-T314 PolarHBondContact O-N 3.36Å; N311-T314 PolarHBondContact O-OG1 3.05Å; D312-T314 PolarHBondContact O-N 2.89Å; T314-P321 VanDerWaalsContact CB-CG 3.42Å; T314-P321 HydrophobicContact CG2-CB 3.74Å; T314-P321 HydrophobicContact CG2-CG 3.34Å
315	R	83.6	Confident	70.2	Confident	110 Å²	110	48.5 Å²	48.5	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-79	-31.3	172.7	-72	171.3	177.9	-176.1	0.4	112.1	S218 F220 M301 N311 D312 L313	S218-R315 WeakPolarHBondContact CB-O 3.25Å; S218-R315 PolarHBondContact OG-O 3.02Å; F220-R315 HydrophobicContact CB-CB 4.33Å; F220-R315 HydrophobicContact CG-CB 4.31Å; M301-R315 HydrophobicContact CE-CB 3.45Å; M301-R315 VanDerWaalsContact CE-CB 3.45Å; M301-R315 HydrophobicContact CE-CG 4.38Å; M301-R315 HydrophobicContact SD-CB 4.22Å; N311-R315 PolarHBondContact ND2-NE 3.08Å; N311-R315 WeakPolarHBondContact O-CG 3.49Å; N311-R315 PolarHBondContact O-N 3.23Å; D312-R315 WeakPolarHBondContact O-CB 3.37Å; D312-R315 PolarHBondContact O-N 3.22Å; L313-R315 VanDerWaalsContact C-N 3.34Å
316	L	86.1	Confident	68	Low	4 Å²	4	47 Å²	47	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-74.1	-30.3	176.6	-66.2	179.4	0	0	0	112.8	F220 V221 L252 L294 F297 M301 D312 L313	F220-L316 HydrophobicContact CD1-CD2 4.06Å; F220-L316 HydrophobicContact CE1-CD2 4.13Å; V221-L316 HydrophobicContact CG2-CD2 3.66Å; L252-L316 HydrophobicContact CD1-CB 4.34Å; L252-L316 WeakPolarHBondContact CD1-O 3.29Å; L252-L316 HydrophobicContact CD2-CB 4.21Å; L294-L316 HydrophobicContact CD1-CD1 3.51Å; F297-L316 HydrophobicContact CB-CD1 4.04Å; F297-L316 HydrophobicContact CB-CD2 3.8Å; F297-L316 HydrophobicContact CD1-CD2 3.82Å; F297-L316 HydrophobicContact CD2-CD2 4.08Å; F297-L316 HydrophobicContact CE1-CD2 4.44Å; F297-L316 HydrophobicContact CG-CD1 4.48Å; F297-L316 HydrophobicContact CG-CD2 3.63Å; M301-L316 HydrophobicContact CE-CD2 3.76Å; M301-L316 HydrophobicContact CE-CG 3.95Å; D312-L316 WeakPolarHBondContact O-CG 3.47Å; D312-L316 PolarHBondContact O-N 3.39Å; L313-L316 PolarHBondContact O-N 2.93Å
317	H	79	Confident	65.4	Low	20 Å²	20	45.3 Å²	45.3	9%	0.093	23%	0.23	C	C	.	.	S	Bend	trans	-67.7	132.5	178	-161.5	-102	0	0	0	111	S218 L252 R256 L313 F319	S218-H317 WeakPolarHBondContact CB-O 3.49Å; L252-H317 HydrophobicContact CD1-CB 4.43Å; R256-H317 VanDerWaalsContact CZ-CD2 3.46Å; R256-H317 VanDerWaalsContact CZ-CG 3.45Å; R256-H317 PolarHBondContact NH1-CD2 2.95Å; R256-H317 PolarHBondContact NH1-NE2 3.13Å; R256-H317 PolarHBondContact NH2-ND1 3.2Å; L313-H317 PolarHBondContact O-N 3.24Å; L313-H317 VanDerWaalsContact O-N 3.12Å; H317-F319 AromaticContact CE1-CD2 3.54Å; H317-F319 WeakPolarHBondContact ND1-CB 3.4Å; H317-F319 AromaticContact ND1-CD2 3.79Å; H317-F319 PolarHBondContact ND1-N 2.95Å; H317-F319 PolarHBondContact ND1-O 2.79Å; H317-F319 PolarHBondContact O-N 3.13Å
318	P	67.6	Low	63.2	Low	31 Å²	31	48.1 Å²	48.1	20%	0.201	24%	0.242	C	C	.	.	S	Bend	trans	-55	-25.1	178.1	15	-26.1	0	0	0	113.4	M216	M216-P318 WeakPolarHBondContact O-CG 3.31Å
319	F	57.5	Low	61.1	Low	28 Å²	28	49.3 Å²	49.3	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-111	119.1	179.9	-47.9	-77.3	0	0	0	109.7	S17 V18 H317	S17-F319 WeakPolarHBondContact OG-CB 3.37Å; V18-F319 HydrophobicContact CB-CD1 4.09Å; V18-F319 HydrophobicContact CB-CE1 3.92Å; V18-F319 HydrophobicContact CG1-CE1 4.44Å; H317-F319 AromaticContact CE1-CD2 3.54Å; H317-F319 WeakPolarHBondContact ND1-CB 3.4Å; H317-F319 AromaticContact ND1-CD2 3.79Å; H317-F319 PolarHBondContact ND1-N 2.95Å; H317-F319 PolarHBondContact ND1-O 2.79Å; H317-F319 PolarHBondContact O-N 3.13Å
320	P	46.2	Very low	59	Low	66 Å²	66	54.4 Å²	54.4	43%	0.429	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-61.8	144.7	175.4	23.1	-30.9	0	0	0	110.6	S17 E322	S17-P320 WeakPolarHBondContact OG-CD 3.5Å; S17-P320 PolarHBondContact OG-O 3.07Å; P320-E322 PolarHBondContact O-N 2.68Å
321	P	42.9	Very low	57.3	Low	47 Å²	47	55.9 Å²	55.9	31%	0.305	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-63.2	127.1	178	30.5	-39.3	0	0	0	107.7	T314 K323	T314-P321 VanDerWaalsContact CB-CG 3.42Å; T314-P321 HydrophobicContact CG2-CB 3.74Å; T314-P321 HydrophobicContact CG2-CG 3.34Å; P321-K323 PolarHBondContact O-N 3.47Å
322	E	40.8	Very low	55.6	Low	35 Å²	35	54.9 Å²	54.9	16%	0.164	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-60.7	137.8	175.1	-76.9	161	-157.6	0	0	110.4	D20 P320 A324 Y650	D20-E322 WeakPolarHBondContact CB-OE1 3.24Å; P320-E322 PolarHBondContact O-N 2.68Å; E322-A324 HydrophobicContact CB-CB 4.4Å; E322-A324 PolarHBondContact O-N 3.16Å; E322-Y650 HydrophobicContact CG-CE2 4.11Å; E322-Y650 VanDerWaalsContact CG-OH 3.27Å; E322-Y650 WeakPolarHBondContact CG-OH 3.37Å; E322-Y650 WeakPolarHBondContact OE1-CE2 3.2Å; E322-Y650 PolarHBondContact OE1-OH 3.05Å; E322-Y650 WeakPolarHBondContact OE2-CE2 3.35Å
323	K	33.8	Very low	54	Low	223 Å²	223	58.6 Å²	58.6	97%	0.97	31%	0.31	S	S	*	.	S	Bend	trans	-63.5	-4.1	167.5	-71.7	-175.5	176.8	-178.3	0	112.5	P321	P321-K323 PolarHBondContact O-N 3.47Å
324	A	35.2	Very low	52.3	Low	32 Å²	32	65.8 Å²	65.8	26%	0.264	34%	0.341	S	S	.	.	S	Bend	trans	-91.4	123.1	170.5	0	0	0	0	0	109.5	E322 N649	E322-A324 HydrophobicContact CB-CB 4.4Å; E322-A324 PolarHBondContact O-N 3.16Å; A324-N649 HydrophobicContact CB-CB 4.32Å
325	A	36.6	Very low	51.2	Low	12 Å²	12	67.5 Å²	67.5	10%	0.099	36%	0.356	C	S	.	.	S	Bend	trans	93.9	39.4	157	0	0	0	0	0	120.4
326	Y	39.1	Very low	49.8	Very low	114 Å²	114	63 Å²	63	45%	0.447	34%	0.341	S	S	.	.			trans	-129.4	97.6	133.7	-56.4	-83.2	0	0	0	108.8	F310 F328	F310-Y326 HydrophobicContact CE1-CE2 4.37Å; F310-Y326 AromaticContact CZ-CE2 3.92Å; F310-Y326 HydrophobicContact CZ-CE2 3.92Å; Y326-F328 VanDerWaalsContact CB-CD1 3.48Å; Y326-F328 AromaticContact CD1-CE1 3.98Å; Y326-F328 HydrophobicContact CD1-CE1 3.98Å; Y326-F328 AromaticContact CD2-CE1 3.81Å; Y326-F328 HydrophobicContact CD2-CE1 3.81Å; Y326-F328 AromaticContact CD2-CZ 3.62Å; Y326-F328 HydrophobicContact CD2-CZ 3.62Å; Y326-F328 HydrophobicContact CG-CD1 4.19Å; Y326-F328 AromaticContact CG-CE1 3.35Å; Y326-F328 HydrophobicContact CG-CE1 3.35Å; Y326-F328 HydrophobicContact CG-CE2 4.48Å; Y326-F328 AromaticContact CG-CZ 3.56Å; Y326-F328 HydrophobicContact CG-CZ 3.56Å; Y326-F328 WeakPolarHBondContact O-CD2 3.45Å; Y326-F328 WeakPolarHBondContact O-CE2 3.49Å; Y326-F328 PolarHBondContact O-N 3.33Å
327	S	34.1	Very low	48.3	Very low	54 Å²	54	69.2 Å²	69.2	38%	0.378	37%	0.374	S	S	.	.			trans	-70.6	84.8	156.9	-53.7	0	0	0	0	106.1	P329 I642	S327-P329 WeakPolarHBondContact O-CD 3.38Å; S327-I642 WeakPolarHBondContact O-CG2 3.39Å
328	F	46.6	Very low	47.2	Very low	105 Å²	105	74 Å²	74	46%	0.461	39%	0.394	S	S	.	.			trans	-60.5	122.6	-172	-62.4	-73.5	0	0	0	110.7	L267 Y326 L330	L267-F328 HydrophobicContact CB-CE1 4.43Å; L267-F328 HydrophobicContact CD1-CD1 3.98Å; L267-F328 HydrophobicContact CD1-CE1 2.95Å; L267-F328 HydrophobicContact CD1-CE2 4.24Å; L267-F328 HydrophobicContact CD1-CZ 3.09Å; L267-F328 HydrophobicContact CD2-CE1 4.25Å; L267-F328 HydrophobicContact CG-CD1 3.95Å; L267-F328 HydrophobicContact CG-CE1 3.34Å; L267-F328 HydrophobicContact CG-CZ 3.99Å; Y326-F328 VanDerWaalsContact CB-CD1 3.48Å; Y326-F328 AromaticContact CD1-CE1 3.98Å; Y326-F328 HydrophobicContact CD1-CE1 3.98Å; Y326-F328 AromaticContact CD2-CE1 3.81Å; Y326-F328 HydrophobicContact CD2-CE1 3.81Å; Y326-F328 AromaticContact CD2-CZ 3.62Å; Y326-F328 HydrophobicContact CD2-CZ 3.62Å; Y326-F328 HydrophobicContact CG-CD1 4.19Å; Y326-F328 AromaticContact CG-CE1 3.35Å; Y326-F328 HydrophobicContact CG-CE1 3.35Å; Y326-F328 HydrophobicContact CG-CE2 4.48Å; Y326-F328 AromaticContact CG-CZ 3.56Å; Y326-F328 HydrophobicContact CG-CZ 3.56Å; Y326-F328 WeakPolarHBondContact O-CD2 3.45Å; Y326-F328 WeakPolarHBondContact O-CE2 3.49Å; Y326-F328 PolarHBondContact O-N 3.33Å; F328-L330 PolarHBondContact O-N 3.35Å
329	P	47.4	Very low	46.8	Very low	25 Å²	25	77.1 Å²	77.1	16%	0.162	42%	0.415	C	S	.	.			trans	-62.1	128.9	156.2	28.7	-30.5	0	0	0	106.5	S327 A331 T332 R626 M627 I642	S327-P329 WeakPolarHBondContact O-CD 3.38Å; P329-A331 PolarHBondContact O-N 3.23Å; P329-A331 VanDerWaalsContact O-N 3.12Å; P329-T332 HydrophobicContact CB-CG2 4.07Å; P329-T332 HydrophobicContact CG-CG2 3.25Å; P329-R626 WeakPolarHBondContact CA-O 3.32Å; P329-R626 WeakPolarHBondContact CB-O 3.09Å; P329-M627 CarbonylContact C-O 3.59Å; P329-M627 WeakPolarHBondContact CA-O 3.13Å; P329-I642 HydrophobicContact CB-CD1 4.24Å; P329-I642 HydrophobicContact CG-CD1 3.67Å
330	L	43.5	Very low	46.8	Very low	129 Å²	129	80.9 Å²	80.9	68%	0.675	45%	0.445	S	S	*	.	S	Bend	trans	-58.2	-23.6	175.1	-74.8	159.2	0	0	0	111.2	F328 M627	F328-L330 PolarHBondContact O-N 3.35Å; L330-M627 HydrophobicContact CD1-CB 4.44Å; L330-M627 HydrophobicContact CD1-CE 3.63Å; L330-M627 PolarHBondContact N-O 3.4Å
331	A	45.5	Very low	47.7	Very low	47 Å²	47	82.7 Å²	82.7	39%	0.388	45%	0.447	S	S	.	.			trans	-148.7	125.7	167.7	0	0	0	0	0	110	P329	P329-A331 PolarHBondContact O-N 3.23Å; P329-A331 VanDerWaalsContact O-N 3.12Å
332	T	48	Very low	48.8	Very low	58 Å²	58	84.6 Å²	84.6	36%	0.356	45%	0.448	S	S	.	.			trans	-95.4	109.3	158.4	44.6	0	0	0	0	109.1	K264 P329 Y629	K264-T332 PolarHBondContact O-OG1 3.33Å; P329-T332 HydrophobicContact CB-CG2 4.07Å; P329-T332 HydrophobicContact CG-CG2 3.25Å; T332-Y629 WeakPolarHBondContact CA-O 3.33Å; T332-Y629 HydrophobicContact CG2-CD1 4.14Å
333	V	53.4	Low	50.5	Low	79 Å²	79	85.5 Å²	85.5	48%	0.479	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.5	170.1	-179.9	0	0	0	0	107.7	A335 Y629 V630 D631	V333-A335 PolarHBondContact O-N 3.39Å; V333-Y629 PolarHBondContact N-O 3.35Å; V333-V630 HydrophobicContact CB-CG1 4.18Å; V333-V630 HydrophobicContact CB-CG2 4.3Å; V333-V630 HydrophobicContact CG1-CG1 4.42Å; V333-V630 CarbonylContact O-C 3.48Å; V333-V630 WeakPolarHBondContact O-CA 3.48Å; V333-V630 WeakPolarHBondContact O-CG1 3.47Å; V333-D631 PolarHBondContact O-N 3.31Å
334	K	51.2	Low	52.6	Low	152 Å²	152	78.8 Å²	78.8	66%	0.661	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	111.5	165.3	-76.1	-172.7	175.1	-174.4	0	108.2	D631	K334-D631 HydrophobicContact CG-CB 4.28Å
335	A	56.4	Low	54.6	Low	47 Å²	47	85 Å²	85	39%	0.388	47%	0.466	S	S	.	.			trans	-83.1	-26.3	176.6	0	0	0	0	0	112.1	V333 V630 D631 F632	V333-A335 PolarHBondContact O-N 3.39Å; A335-V630 HydrophobicContact CB-CG1 4.44Å; A335-D631 WeakPolarHBondContact CB-O 3.36Å; A335-D631 PolarHBondContact N-O 3.24Å; A335-F632 HydrophobicContact CB-CD1 3.91Å; A335-F632 HydrophobicContact CB-CE1 4.3Å
336	V	55.4	Low	56.6	Low	15 Å²	15	85.7 Å²	85.7	9%	0.091	47%	0.468	C	S	.	.			trans	-152.2	145.8	-177	-163.1	0	0	0	0	110.7	K338 E341 I346 A633	V336-K338 VanDerWaalsContact CG1-O 3.31Å; V336-K338 WeakPolarHBondContact CG1-O 3.35Å; V336-E341 HydrophobicContact CG1-CB 3.56Å; V336-I346 HydrophobicContact CG2-CB 4.37Å; V336-I346 HydrophobicContact CG2-CD1 3.35Å; V336-I346 HydrophobicContact CG2-CG1 3.92Å; V336-I346 HydrophobicContact CG2-CG2 3.65Å; V336-A633 HydrophobicContact CB-CB 4.01Å
337	D	53.2	Low	58.5	Low	134 Å²	134	82.2 Å²	82.2	72%	0.717	46%	0.458	S	S	*	.	S	Bend	trans	-85.4	-29.2	178.8	-71	-44.3	0	0	0	113.9
338	K	57.2	Low	60.6	Low	120 Å²	120	83.3 Å²	83.3	52%	0.522	46%	0.463	S	S	.	.	S	Bend	trans	-134.2	144.9	-178.2	-66.8	175.4	-175.3	166.9	0	113.1	V336 S340 E341	V336-K338 VanDerWaalsContact CG1-O 3.31Å; V336-K338 WeakPolarHBondContact CG1-O 3.35Å; K338-S340 PolarHBondContact O-N 3.48Å; K338-S340 VanDerWaalsContact O-N 3.12Å; K338-E341 HydrophobicContact CB-CG 4.46Å; K338-E341 PolarHBondContact O-N 2.98Å; K338-E341 VanDerWaalsContact O-N 3.11Å
339	P	58.9	Low	62.4	Low	98 Å²	98	79.7 Å²	79.7	64%	0.636	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.3	176	-24	32.7	0	0	0	114.4	E341 R342	P339-E341 VanDerWaalsContact C-N 3.29Å; P339-E341 PolarHBondContact O-N 3.1Å; P339-R342 WeakPolarHBondContact O-CG 3.48Å
340	S	57.8	Low	64	Low	107 Å²	107	79.1 Å²	79.1	75%	0.748	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-71.9	-18.3	179.7	53.1	0	0	0	0	114.2	K338	K338-S340 PolarHBondContact O-N 3.48Å; K338-S340 VanDerWaalsContact O-N 3.12Å
341	E	64.7	Low	65.9	Low	103 Å²	103	75 Å²	75	48%	0.481	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-94.4	7.6	-177.4	-68.6	170.4	-169.4	0	0	112.6	V336 K338 P339 S343	V336-E341 HydrophobicContact CG1-CB 3.56Å; K338-E341 HydrophobicContact CB-CG 4.46Å; K338-E341 PolarHBondContact O-N 2.98Å; K338-E341 VanDerWaalsContact O-N 3.11Å; P339-E341 VanDerWaalsContact C-N 3.29Å; P339-E341 PolarHBondContact O-N 3.1Å; E341-S343 PolarHBondContact O-N 3.43Å
342	R	66.8	Low	67.8	Low	87 Å²	87	78.1 Å²	78.1	33%	0.328	44%	0.439	S	S	.	.			trans	-67.3	95.2	178.7	-69.5	-179.3	73.9	-159	2.1	110.7	P339 I346 V347 E350	P339-R342 WeakPolarHBondContact O-CG 3.48Å; R342-I346 HydrophobicContact CG-CG2 4.47Å; R342-V347 HydrophobicContact CB-CG2 4.47Å; R342-E350 IonicContact CZ-OE2 3.48Å; R342-E350 IonicContact NH2-OE2 3.38Å; R342-E350 PolarHBondContact NH2-OE2 2.6Å
343	S	76.3	Confident	69.6	Low	55 Å²	55	77.8 Å²	77.8	39%	0.385	43%	0.432	S	S	.	.			trans	-67.6	159.9	168.5	76.5	0	0	0	0	111.1	E341 F345 I346 V347	E341-S343 PolarHBondContact O-N 3.43Å; S343-F345 PolarHBondContact O-N 3.14Å; S343-F345 VanDerWaalsContact O-N 3.13Å; S343-F345 PolarHBondContact OG-N 2.84Å; S343-I346 PolarHBondContact O-N 2.95Å; S343-I346 PolarHBondContact OG-N 2.64Å; S343-V347 PolarHBondContact O-N 2.95Å
344	A	77.1	Confident	71.1	Confident	82 Å²	82	74.6 Å²	74.6	68%	0.678	41%	0.411	S	S	*	.	H	α-helix	trans	-56	-29.4	174.6	0	0	0	0	0	112.7	T348	A344-T348 WeakPolarHBondContact O-CB 3.42Å; A344-T348 PolarHBondContact O-N 2.83Å; A344-T348 VanDerWaalsContact O-N 3.08Å; A344-T348 PolarHBondContact O-OG1 3.2Å
345	F	77.6	Confident	72.9	Confident	162 Å²	162	71 Å²	71	71%	0.711	40%	0.396	S	S	*	.	H	α-helix	trans	-65.9	-44.4	175.5	179.3	-98.4	0	0	0	112.1	S343 V347 T348 A349	S343-F345 PolarHBondContact O-N 3.14Å; S343-F345 VanDerWaalsContact O-N 3.13Å; S343-F345 PolarHBondContact OG-N 2.84Å; F345-V347 PolarHBondContact O-N 2.75Å; F345-T348 WeakPolarHBondContact O-CB 3.32Å; F345-T348 PolarHBondContact O-N 2.92Å; F345-A349 WeakPolarHBondContact O-CB 3.46Å; F345-A349 PolarHBondContact O-N 3.2Å
346	I	78.5	Confident	74.5	Confident	26 Å²	26	70.4 Å²	70.4	13%	0.133	40%	0.395	C	S	.	.	H	α-helix	trans	-63.7	-43.9	179.1	-69.9	153.4	0	0	0	110.8	V336 R342 S343 T348 A349 E350 F632	V336-I346 HydrophobicContact CG2-CB 4.37Å; V336-I346 HydrophobicContact CG2-CD1 3.35Å; V336-I346 HydrophobicContact CG2-CG1 3.92Å; V336-I346 HydrophobicContact CG2-CG2 3.65Å; R342-I346 HydrophobicContact CG-CG2 4.47Å; S343-I346 PolarHBondContact O-N 2.95Å; S343-I346 PolarHBondContact OG-N 2.64Å; I346-T348 VanDerWaalsContact C-N 3.25Å; I346-T348 PolarHBondContact O-N 3.25Å; I346-A349 PolarHBondContact O-N 2.64Å; I346-E350 WeakPolarHBondContact O-CB 3.25Å; I346-E350 PolarHBondContact O-N 3.49Å; I346-F632 HydrophobicContact CG2-CB 4.42Å; I346-F632 HydrophobicContact CG2-CD1 4.04Å
347	V	78.1	Confident	76.1	Confident	41 Å²	41	70.6 Å²	70.6	25%	0.248	40%	0.395	C	S	.	.	H	α-helix	trans	-60.9	-38.1	176	178.6	0	0	0	0	111.2	R342 S343 F345 S351	R342-V347 HydrophobicContact CB-CG2 4.47Å; S343-V347 PolarHBondContact O-N 2.95Å; F345-V347 PolarHBondContact O-N 2.75Å; V347-S351 WeakPolarHBondContact O-CB 3.49Å; V347-S351 PolarHBondContact O-N 2.5Å; V347-S351 PolarHBondContact O-OG 2.64Å
348	T	79.7	Confident	77.8	Confident	77 Å²	77	64.2 Å²	64.2	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-68.7	-44.6	176.3	-55.9	0	0	0	0	111.4	A344 F345 I346 E350 S351 L352	A344-T348 WeakPolarHBondContact O-CB 3.42Å; A344-T348 PolarHBondContact O-N 2.83Å; A344-T348 VanDerWaalsContact O-N 3.08Å; A344-T348 PolarHBondContact O-OG1 3.2Å; F345-T348 WeakPolarHBondContact O-CB 3.32Å; F345-T348 PolarHBondContact O-N 2.92Å; I346-T348 VanDerWaalsContact C-N 3.25Å; I346-T348 PolarHBondContact O-N 3.25Å; T348-E350 VanDerWaalsContact C-N 3.34Å; T348-E350 PolarHBondContact O-N 3.35Å; T348-S351 WeakPolarHBondContact O-CB 3.17Å; T348-S351 PolarHBondContact O-N 3.44Å; T348-L352 HydrophobicContact CG2-CD1 4.25Å; T348-L352 WeakPolarHBondContact O-CG 3.29Å; T348-L352 PolarHBondContact O-N 2.66Å
349	A	83.4	Confident	79.5	Confident	30 Å²	30	59 Å²	59	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-41.6	176.8	0	0	0	0	0	111.8	F345 I346 S351 L352 Y353 F632	F345-A349 WeakPolarHBondContact O-CB 3.46Å; F345-A349 PolarHBondContact O-N 3.2Å; I346-A349 PolarHBondContact O-N 2.64Å; A349-S351 VanDerWaalsContact C-N 3.35Å; A349-L352 PolarHBondContact O-N 2.61Å; A349-Y353 WeakPolarHBondContact O-CB 3.25Å; A349-Y353 PolarHBondContact O-N 3.4Å; A349-F632 HydrophobicContact CB-CE1 3.97Å
350	E	81.7	Confident	81.1	Confident	13 Å²	13	58.4 Å²	58.4	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-44.7	173.4	-178.3	173.2	-168.5	0	0	111.7	R342 I346 T348 L352 Y353 R354 F632	R342-E350 IonicContact CZ-OE2 3.48Å; R342-E350 IonicContact NH2-OE2 3.38Å; R342-E350 PolarHBondContact NH2-OE2 2.6Å; I346-E350 WeakPolarHBondContact O-CB 3.25Å; I346-E350 PolarHBondContact O-N 3.49Å; T348-E350 VanDerWaalsContact C-N 3.34Å; T348-E350 PolarHBondContact O-N 3.35Å; E350-L352 PolarHBondContact O-N 3.07Å; E350-Y353 PolarHBondContact O-N 3.49Å; E350-R354 WeakPolarHBondContact O-CB 3.41Å; E350-R354 WeakPolarHBondContact O-CG 3.27Å; E350-R354 PolarHBondContact O-N 2.85Å; E350-R354 IonicContact OE1-CZ 3.94Å; E350-R354 VanDerWaalsContact OE1-CZ 3.24Å; E350-R354 IonicContact OE1-NE 3.99Å; E350-R354 PolarHBondContact OE1-NE 2.82Å; E350-R354 IonicContact OE1-NH2 3.16Å; E350-R354 PolarHBondContact OE1-NH2 3.24Å; E350-F632 HydrophobicContact CB-CB 4.06Å; E350-F632 HydrophobicContact CB-CD1 3.76Å; E350-F632 HydrophobicContact CB-CD2 3.72Å; E350-F632 HydrophobicContact CB-CE1 4.06Å; E350-F632 HydrophobicContact CB-CE2 4Å; E350-F632 HydrophobicContact CB-CG 3.58Å; E350-F632 HydrophobicContact CB-CZ 4.16Å; E350-F632 HydrophobicContact CG-CB 4.07Å; E350-F632 HydrophobicContact CG-CD1 4.49Å; E350-F632 HydrophobicContact CG-CD2 3.59Å; E350-F632 HydrophobicContact CG-CE2 4.09Å; E350-F632 HydrophobicContact CG-CG 3.81Å
351	S	82.8	Confident	82.7	Confident	41 Å²	41	53.3 Å²	53.3	29%	0.287	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-41.3	178.1	-59.6	0	0	0	0	111.7	V347 T348 A349 F355	V347-S351 WeakPolarHBondContact O-CB 3.49Å; V347-S351 PolarHBondContact O-N 2.5Å; V347-S351 PolarHBondContact O-OG 2.64Å; T348-S351 WeakPolarHBondContact O-CB 3.17Å; T348-S351 PolarHBondContact O-N 3.44Å; A349-S351 VanDerWaalsContact C-N 3.35Å; S351-F355 WeakPolarHBondContact O-CB 3.33Å; S351-F355 PolarHBondContact O-N 3.46Å
352	L	86	Confident	84.1	Confident	114 Å²	114	48.4 Å²	48.4	60%	0.597	27%	0.272	S	S	*	.	H	α-helix	trans	-66.6	-41.6	175.7	-73.2	172.9	0	0	0	112.2	T348 A349 E350 F355 G356	T348-L352 HydrophobicContact CG2-CD1 4.25Å; T348-L352 WeakPolarHBondContact O-CG 3.29Å; T348-L352 PolarHBondContact O-N 2.66Å; A349-L352 PolarHBondContact O-N 2.61Å; E350-L352 PolarHBondContact O-N 3.07Å; L352-F355 PolarHBondContact O-N 3.13Å; L352-G356 PolarHBondContact O-N 2.91Å
353	Y	85.7	Confident	85.3	Confident	50 Å²	50	44.9 Å²	44.9	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-51	174.7	167.3	-97.4	0	0	0	111.1	A349 E350 F355 G356 L357 F628 V630 F632	A349-Y353 WeakPolarHBondContact O-CB 3.25Å; A349-Y353 PolarHBondContact O-N 3.4Å; E350-Y353 PolarHBondContact O-N 3.49Å; Y353-F355 VanDerWaalsContact C-N 3.3Å; Y353-F355 PolarHBondContact O-N 3.13Å; Y353-G356 PolarHBondContact O-N 3.34Å; Y353-L357 HydrophobicContact CE1-CD1 3.79Å; Y353-L357 HydrophobicContact CE1-CG 4.48Å; Y353-L357 HydrophobicContact CE2-CD1 3.91Å; Y353-L357 HydrophobicContact CE2-CD2 4.47Å; Y353-L357 HydrophobicContact CE2-CG 4.16Å; Y353-L357 PolarHBondContact O-N 3.25Å; Y353-L357 VanDerWaalsContact OH-CD1 3.24Å; Y353-L357 WeakPolarHBondContact OH-CD1 3.29Å; Y353-F628 HydrophobicContact CE2-CB 4.49Å; Y353-F628 PolarHBondContact OH-O 3.32Å; Y353-V630 HydrophobicContact CD2-CG2 4.17Å; Y353-V630 HydrophobicContact CE2-CG2 3.89Å; Y353-F632 AromaticContact CD1-CE2 3.71Å; Y353-F632 HydrophobicContact CD1-CE2 3.71Å; Y353-F632 HydrophobicContact CD1-CZ 4.44Å; Y353-F632 HydrophobicContact CE1-CE2 4.4Å; Y353-F632 AromaticContact CG-CE2 3.92Å; Y353-F632 HydrophobicContact CG-CE2 3.92Å; Y353-F632 HydrophobicContact CG-CZ 4.21Å
354	R	85	Confident	86.2	Confident	12 Å²	12	44.8 Å²	44.8	5%	0.045	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-39.1	176.1	-70.7	-178.7	-174.3	-165.8	0.6	111.6	E350 G358 T432 D435 D439 T635	E350-R354 WeakPolarHBondContact O-CB 3.41Å; E350-R354 WeakPolarHBondContact O-CG 3.27Å; E350-R354 PolarHBondContact O-N 2.85Å; E350-R354 IonicContact OE1-CZ 3.94Å; E350-R354 VanDerWaalsContact OE1-CZ 3.24Å; E350-R354 IonicContact OE1-NE 3.99Å; E350-R354 PolarHBondContact OE1-NE 2.82Å; E350-R354 IonicContact OE1-NH2 3.16Å; E350-R354 PolarHBondContact OE1-NH2 3.24Å; R354-G358 PolarHBondContact O-N 2.82Å; R354-T432 HydrophobicContact CB-CG2 4.27Å; R354-D435 VanDerWaalsContact NH1-CB 3.25Å; R354-D439 IonicContact CZ-OD2 2.91Å; R354-D439 VanDerWaalsContact CZ-OD2 3.31Å; R354-D439 IonicContact NH1-OD2 2.86Å; R354-D439 PolarHBondContact NH1-OD2 3.4Å; R354-D439 IonicContact NH2-OD2 2.78Å; R354-D439 PolarHBondContact NH2-OD2 3.46Å; R354-T635 PolarHBondContact NH2-O 3.05Å
355	F	87.8	Confident	87	Confident	76 Å²	76	40.9 Å²	40.9	33%	0.333	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-44.2	175.6	179.7	-81.2	0	0	0	111.9	S351 L352 Y353 G358 S359 A428 I429 T432	S351-F355 WeakPolarHBondContact O-CB 3.33Å; S351-F355 PolarHBondContact O-N 3.46Å; L352-F355 PolarHBondContact O-N 3.13Å; Y353-F355 VanDerWaalsContact C-N 3.3Å; Y353-F355 PolarHBondContact O-N 3.13Å; F355-G358 PolarHBondContact O-N 3.44Å; F355-S359 WeakPolarHBondContact CE1-OG 3.03Å; F355-S359 WeakPolarHBondContact O-CB 3.27Å; F355-S359 PolarHBondContact O-N 3Å; F355-S359 PolarHBondContact O-OG 3.42Å; F355-A428 HydrophobicContact CB-CB 4.43Å; F355-A428 HydrophobicContact CD1-CB 4.14Å; F355-A428 HydrophobicContact CD2-CB 3.37Å; F355-A428 HydrophobicContact CE1-CB 4.19Å; F355-A428 HydrophobicContact CE2-CB 3.44Å; F355-A428 VanDerWaalsContact CE2-CB 3.44Å; F355-A428 HydrophobicContact CG-CB 3.73Å; F355-A428 HydrophobicContact CZ-CB 3.86Å; F355-A428 VanDerWaalsContact O-CB 3.31Å; F355-A428 WeakPolarHBondContact O-CB 3.25Å; F355-I429 HydrophobicContact CD2-CG1 4.39Å; F355-I429 HydrophobicContact CE2-CG1 3.92Å; F355-T432 PolarHBondContact N-OG1 3.19Å
356	G	90.8	Very high	87.7	Confident	36 Å²	36	33.2 Å²	33.2	37%	0.371	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-48.2	177.8	0	0	0	0	0	112.1	L352 Y353 G358 S359 L360	L352-G356 PolarHBondContact O-N 2.91Å; Y353-G356 PolarHBondContact O-N 3.34Å; G356-G358 VanDerWaalsContact C-N 3.35Å; G356-G358 PolarHBondContact O-N 3.17Å; G356-S359 WeakPolarHBondContact O-CB 3.3Å; G356-S359 PolarHBondContact O-N 2.59Å; G356-L360 PolarHBondContact O-N 3.43Å
357	L	89.5	Confident	88.4	Confident	18 Å²	18	34.1 Å²	34.1	9%	0.094	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-41.1	175.9	-63.3	-164.7	0	0	0	112.2	Y353 S359 L360 G361 Y621 L624 Q625	Y353-L357 HydrophobicContact CE1-CD1 3.79Å; Y353-L357 HydrophobicContact CE1-CG 4.48Å; Y353-L357 HydrophobicContact CE2-CD1 3.91Å; Y353-L357 HydrophobicContact CE2-CD2 4.47Å; Y353-L357 HydrophobicContact CE2-CG 4.16Å; Y353-L357 PolarHBondContact O-N 3.25Å; Y353-L357 VanDerWaalsContact OH-CD1 3.24Å; Y353-L357 WeakPolarHBondContact OH-CD1 3.29Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 3.46Å; L357-L360 PolarHBondContact O-N 3.45Å; L357-G361 PolarHBondContact O-N 3.27Å; L357-Y621 HydrophobicContact CB-CD2 3.86Å; L357-Y621 HydrophobicContact CB-CE2 3.76Å; L357-L624 HydrophobicContact CD1-CB 4.12Å; L357-L624 HydrophobicContact CD2-CB 3.93Å; L357-L624 HydrophobicContact CD2-CD1 4.38Å; L357-L624 HydrophobicContact CG-CB 4.43Å; L357-Q625 HydrophobicContact CD1-CB 4.3Å; L357-Q625 HydrophobicContact CD1-CG 3.6Å
358	G	89.4	Confident	89.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-36.5	177.9	0	0	0	0	0	112.3	R354 F355 G356 G362	R354-G358 PolarHBondContact O-N 2.82Å; F355-G358 PolarHBondContact O-N 3.44Å; G356-G358 VanDerWaalsContact C-N 3.35Å; G356-G358 PolarHBondContact O-N 3.17Å; G358-G362 PolarHBondContact O-N 3.25Å
359	S	91.4	Very high	89.7	Confident	10 Å²	10	31.2 Å²	31.2	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-45.8	174	-62.9	0	0	0	0	111.2	F355 G356 L357 G362 A363 A428	F355-S359 WeakPolarHBondContact CE1-OG 3.03Å; F355-S359 WeakPolarHBondContact O-CB 3.27Å; F355-S359 PolarHBondContact O-N 3Å; F355-S359 PolarHBondContact O-OG 3.42Å; G356-S359 WeakPolarHBondContact O-CB 3.3Å; G356-S359 PolarHBondContact O-N 2.59Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 3.46Å; S359-G362 PolarHBondContact O-N 2.99Å; S359-A363 WeakPolarHBondContact O-CB 3.41Å; S359-A363 PolarHBondContact O-N 3.14Å; S359-A428 VanDerWaalsContact OG-CB 3.28Å; S359-A428 WeakPolarHBondContact OG-CB 3.46Å
360	L	93	Very high	90.1	Very high	87 Å²	87	30.8 Å²	30.8	46%	0.455	18%	0.179	S	C	.	.	H	α-helix	trans	-67.9	-42	179.9	-174.8	57.2	0	0	0	112	G356 L357 A363 T364 L624	G356-L360 PolarHBondContact O-N 3.43Å; L357-L360 PolarHBondContact O-N 3.45Å; L360-A363 PolarHBondContact O-N 3.46Å; L360-T364 WeakPolarHBondContact O-CB 3.42Å; L360-T364 PolarHBondContact O-N 3.44Å; L360-T364 PolarHBondContact O-OG1 2.9Å; L360-L624 HydrophobicContact CB-CD1 4Å; L360-L624 HydrophobicContact CD2-CD1 3.64Å; L360-L624 HydrophobicContact CD2-CD2 4.06Å; L360-L624 HydrophobicContact CG-CD1 3.86Å
361	G	92.4	Very high	90.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-42.9	171.8	0	0	0	0	0	112.1	L357 T364 G365 T617	L357-G361 PolarHBondContact O-N 3.27Å; G361-T364 PolarHBondContact O-N 3.23Å; G361-G365 PolarHBondContact O-N 3.19Å; G361-T617 VanDerWaalsContact O-CA 3.31Å; G361-T617 WeakPolarHBondContact O-CA 3.11Å; G361-T617 WeakPolarHBondContact O-CB 3.35Å; G361-T617 PolarHBondContact O-OG1 3.24Å
362	G	92.4	Very high	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-45.5	175.2	0	0	0	0	0	112.7	G358 S359 A366	G358-G362 PolarHBondContact O-N 3.25Å; S359-G362 PolarHBondContact O-N 2.99Å; G362-A366 WeakPolarHBondContact O-CB 3.44Å; G362-A366 PolarHBondContact O-N 3.1Å
363	A	93.8	Very high	90.7	Very high	13 Å²	13	28.2 Å²	28.2	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-44.9	177.2	0	0	0	0	0	112.2	S359 L360 A366 T367 L420 M424	S359-A363 WeakPolarHBondContact O-CB 3.41Å; S359-A363 PolarHBondContact O-N 3.14Å; L360-A363 PolarHBondContact O-N 3.46Å; A363-A366 PolarHBondContact O-N 3.17Å; A363-T367 WeakPolarHBondContact O-CB 3.45Å; A363-T367 PolarHBondContact O-N 3.14Å; A363-T367 PolarHBondContact O-OG1 2.63Å; A363-L420 HydrophobicContact CB-CD2 3.88Å; A363-M424 HydrophobicContact CB-CG 3.82Å; A363-M424 HydrophobicContact CB-SD 4.03Å
364	T	94.7	Very high	90.8	Very high	52 Å²	52	26.5 Å²	26.5	32%	0.319	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-45.2	-179.3	-52.1	0	0	0	0	110.9	L360 G361 T367 A368 V616 V620	L360-T364 WeakPolarHBondContact O-CB 3.42Å; L360-T364 PolarHBondContact O-N 3.44Å; L360-T364 PolarHBondContact O-OG1 2.9Å; G361-T364 PolarHBondContact O-N 3.23Å; T364-T367 PolarHBondContact O-N 3.46Å; T364-A368 WeakPolarHBondContact O-CB 3.17Å; T364-A368 PolarHBondContact O-N 2.81Å; T364-V616 HydrophobicContact CG2-CG1 4.07Å; T364-V620 HydrophobicContact CG2-CG2 3.84Å
365	G	93.4	Very high	90.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-41.1	176.8	0	0	0	0	0	113.2	G361 T367 A368 V369 T617	G361-G365 PolarHBondContact O-N 3.19Å; G365-T367 VanDerWaalsContact C-N 3.34Å; G365-T367 PolarHBondContact O-N 3.38Å; G365-A368 PolarHBondContact O-N 2.81Å; G365-V369 WeakPolarHBondContact O-CG2 3.4Å; G365-V369 PolarHBondContact O-N 3.43Å; G365-T617 WeakPolarHBondContact CA-OG1 3.34Å
366	A	91.9	Very high	90.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-42.8	173.5	0	0	0	0	0	112.1	G362 A363 V369 Y370 L420 V423	G362-A366 WeakPolarHBondContact O-CB 3.44Å; G362-A366 PolarHBondContact O-N 3.1Å; A363-A366 PolarHBondContact O-N 3.17Å; A366-V369 PolarHBondContact O-N 2.89Å; A366-Y370 WeakPolarHBondContact O-CB 3.43Å; A366-Y370 PolarHBondContact O-N 3.06Å; A366-L420 HydrophobicContact CB-CD2 3.96Å; A366-V423 HydrophobicContact CB-CB 4.35Å; A366-V423 HydrophobicContact CB-CG1 4.01Å; A366-V423 HydrophobicContact CB-CG2 4.41Å
367	T	94	Very high	90.2	Very high	45 Å²	45	26.8 Å²	26.8	28%	0.276	16%	0.156	S	C	.	.	H	α-helix	trans	-64.2	-43.7	178.4	-56.1	0	0	0	0	110.9	A363 T364 G365 V369 Y370 Y413 L416	A363-T367 WeakPolarHBondContact O-CB 3.45Å; A363-T367 PolarHBondContact O-N 3.14Å; A363-T367 PolarHBondContact O-OG1 2.63Å; T364-T367 PolarHBondContact O-N 3.46Å; G365-T367 VanDerWaalsContact C-N 3.34Å; G365-T367 PolarHBondContact O-N 3.38Å; T367-V369 VanDerWaalsContact C-N 3.31Å; T367-V369 PolarHBondContact O-N 3.36Å; T367-Y370 WeakPolarHBondContact O-CB 3.48Å; T367-Y370 PolarHBondContact O-N 3.28Å; T367-Y413 HydrophobicContact CG2-CD1 4.34Å; T367-Y413 HydrophobicContact CG2-CE1 3.99Å; T367-Y413 WeakPolarHBondContact O-CE1 3.4Å; T367-L416 HydrophobicContact CG2-CD2 3.91Å
368	A	92.8	Very high	89.9	Confident	54 Å²	54	28.2 Å²	28.2	45%	0.446	16%	0.16	S	C	.	.	H	α-helix	trans	-61	-37.3	-179	0	0	0	0	0	113.2	T364 G365 V616	T364-A368 WeakPolarHBondContact O-CB 3.17Å; T364-A368 PolarHBondContact O-N 2.81Å; G365-A368 PolarHBondContact O-N 2.81Å; A368-V616 HydrophobicContact CB-CB 4.32Å; A368-V616 HydrophobicContact CB-CG1 4.05Å; A368-V616 HydrophobicContact CB-CG2 3.97Å
369	V	91.5	Very high	89.4	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-94.7	-3.3	179.7	-56.5	0	0	0	0	114.2	G365 A366 T367 P371 I372 D373 P612 Q613	G365-V369 WeakPolarHBondContact O-CG2 3.4Å; G365-V369 PolarHBondContact O-N 3.43Å; A366-V369 PolarHBondContact O-N 2.89Å; T367-V369 VanDerWaalsContact C-N 3.31Å; T367-V369 PolarHBondContact O-N 3.36Å; V369-P371 VanDerWaalsContact C-CD 3.43Å; V369-P371 VanDerWaalsContact C-N 3.33Å; V369-I372 WeakPolarHBondContact O-CA 3.47Å; V369-I372 VanDerWaalsContact O-CB 3.31Å; V369-I372 WeakPolarHBondContact O-CB 3.5Å; V369-I372 PolarHBondContact O-N 3.21Å; V369-D373 PolarHBondContact O-N 3.12Å; V369-P612 HydrophobicContact CG1-CB 3.78Å; V369-Q613 HydrophobicContact CB-CB 4.45Å; V369-Q613 HydrophobicContact CG1-CB 3.89Å; V369-Q613 HydrophobicContact CG2-CB 3.79Å; V369-Q613 HydrophobicContact CG2-CG 3.85Å
370	Y	91.3	Very high	88.5	Confident	21 Å²	21	36.5 Å²	36.5	8%	0.082	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-37.8	-172.5	-168.2	-95.1	0	0	0	114.2	A366 T367 I372 D373 L374 L412 Y413 R414 G415 L416 Q419	A366-Y370 WeakPolarHBondContact O-CB 3.43Å; A366-Y370 PolarHBondContact O-N 3.06Å; T367-Y370 WeakPolarHBondContact O-CB 3.48Å; T367-Y370 PolarHBondContact O-N 3.28Å; Y370-I372 PolarHBondContact O-N 2.81Å; Y370-D373 CarbonylContact O-C 3.56Å; Y370-D373 WeakPolarHBondContact O-CA 3.46Å; Y370-D373 WeakPolarHBondContact O-CB 3.48Å; Y370-D373 PolarHBondContact O-N 3.14Å; Y370-L374 HydrophobicContact CE1-CB 4.41Å; Y370-L374 PolarHBondContact O-N 3.49Å; Y370-L412 WeakPolarHBondContact CD1-O 3.14Å; Y370-L412 WeakPolarHBondContact CE1-O 3.48Å; Y370-Y413 HydrophobicContact CD1-CD1 4.08Å; Y370-R414 PolarHBondContact OH-O 2.73Å; Y370-G415 VanDerWaalsContact OH-CA 3.25Å; Y370-G415 WeakPolarHBondContact OH-CA 3.41Å; Y370-G415 PolarHBondContact OH-O 2.75Å; Y370-L416 HydrophobicContact CD2-CB 4.45Å; Y370-L416 HydrophobicContact CD2-CD1 3.58Å; Y370-L416 HydrophobicContact CE1-CB 4.44Å; Y370-L416 HydrophobicContact CE2-CB 4.32Å; Y370-L416 HydrophobicContact CE2-CD1 4.17Å; Y370-L416 HydrophobicContact CG-CD1 3.8Å; Y370-L416 PolarHBondContact OH-N 3.14Å; Y370-Q419 HydrophobicContact CD2-CG 4.38Å; Y370-Q419 HydrophobicContact CE2-CB 4.08Å; Y370-Q419 HydrophobicContact CE2-CG 4.31Å
371	P	90.9	Very high	87.5	Confident	21 Å²	21	38.4 Å²	38.4	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-36	173.8	-27.2	36.6	0	0	0	113.7	V369 L374 V375 F400 L412 Y413	V369-P371 VanDerWaalsContact C-CD 3.43Å; V369-P371 VanDerWaalsContact C-N 3.33Å; P371-L374 PolarHBondContact O-N 2.63Å; P371-V375 VanDerWaalsContact O-CG2 3.31Å; P371-V375 WeakPolarHBondContact O-CG2 3.42Å; P371-V375 PolarHBondContact O-N 3.4Å; P371-F400 HydrophobicContact CB-CE2 4.49Å; P371-L412 HydrophobicContact CB-CB 4.38Å; P371-L412 HydrophobicContact CB-CD1 4.36Å; P371-L412 HydrophobicContact CB-CD2 4.37Å; P371-L412 HydrophobicContact CG-CB 4.3Å; P371-Y413 HydrophobicContact CG-CE1 4.22Å; P371-Y413 HydrophobicContact CG-CE2 4.41Å
372	I	88.2	Confident	86.5	Confident	78 Å²	78	40.7 Å²	40.7	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-68.1	-41.9	175.9	-57.2	173	0	0	0	109.6	V369 Y370 V375 K376	V369-I372 WeakPolarHBondContact O-CA 3.47Å; V369-I372 VanDerWaalsContact O-CB 3.31Å; V369-I372 WeakPolarHBondContact O-CB 3.5Å; V369-I372 PolarHBondContact O-N 3.21Å; Y370-I372 PolarHBondContact O-N 2.81Å; I372-V375 PolarHBondContact O-N 3.22Å; I372-K376 WeakPolarHBondContact O-CB 3.43Å; I372-K376 PolarHBondContact O-N 2.96Å
373	D	85.4	Confident	84.9	Confident	16 Å²	16	51.2 Å²	51.2	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-41.4	176.3	-78.7	-15.8	0	0	0	112.2	V369 Y370 K376 T377 R609	V369-D373 PolarHBondContact O-N 3.12Å; Y370-D373 CarbonylContact O-C 3.56Å; Y370-D373 WeakPolarHBondContact O-CA 3.46Å; Y370-D373 WeakPolarHBondContact O-CB 3.48Å; Y370-D373 PolarHBondContact O-N 3.14Å; D373-K376 PolarHBondContact O-N 2.99Å; D373-T377 WeakPolarHBondContact O-CB 3.46Å; D373-T377 VanDerWaalsContact O-CG2 3.29Å; D373-T377 WeakPolarHBondContact O-CG2 3.44Å; D373-T377 PolarHBondContact O-N 3.34Å; D373-T377 PolarHBondContact O-OG1 3.49Å; D373-R609 WeakPolarHBondContact OD1-CD 3.38Å; D373-R609 WeakPolarHBondContact OD1-CG 3.16Å; D373-R609 IonicContact OD2-NH1 3.78Å
374	L	87.1	Confident	82.9	Confident	13 Å²	13	57.7 Å²	57.7	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-49	176.8	-175.2	72.7	0	0	0	111.4	Y370 P371 K376 T377 R378 V403 G411 L412	Y370-L374 HydrophobicContact CE1-CB 4.41Å; Y370-L374 PolarHBondContact O-N 3.49Å; P371-L374 PolarHBondContact O-N 2.63Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.16Å; L374-T377 WeakPolarHBondContact CA-OG1 3.45Å; L374-T377 PolarHBondContact O-N 3.12Å; L374-T377 PolarHBondContact O-OG1 3.45Å; L374-R378 WeakPolarHBondContact O-CG 3.39Å; L374-R378 PolarHBondContact O-N 3.41Å; L374-V403 HydrophobicContact CD2-CG1 3.93Å; L374-G411 WeakPolarHBondContact CD2-O 3.27Å; L374-L412 HydrophobicContact CD2-CD2 4.37Å
375	V	86.7	Confident	80.3	Confident	12 Å²	12	59.5 Å²	59.5	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-44.6	178	170.5	0	0	0	0	110.4	P371 I372 T377 R378 M379 S396 C399 F400	P371-V375 VanDerWaalsContact O-CG2 3.31Å; P371-V375 WeakPolarHBondContact O-CG2 3.42Å; P371-V375 PolarHBondContact O-N 3.4Å; I372-V375 PolarHBondContact O-N 3.22Å; V375-T377 PolarHBondContact O-N 2.79Å; V375-R378 PolarHBondContact O-N 2.96Å; V375-M379 HydrophobicContact CG1-CG 4.31Å; V375-M379 WeakPolarHBondContact O-CB 3.48Å; V375-M379 VanDerWaalsContact O-CG 3.24Å; V375-M379 WeakPolarHBondContact O-CG 3.01Å; V375-M379 PolarHBondContact O-N 3.15Å; V375-S396 WeakPolarHBondContact CG1-O 3.46Å; V375-C399 HydrophobicContact CG1-CB 4.14Å; V375-F400 HydrophobicContact CG2-CB 3.88Å; V375-F400 HydrophobicContact CG2-CD2 4.16Å
376	K	83.4	Confident	78.2	Confident	55 Å²	55	67.2 Å²	67.2	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-48.8	177.2	177.7	-177.9	174.7	-179.8	0	111.7	I372 D373 L374 M379 Q380	I372-K376 WeakPolarHBondContact O-CB 3.43Å; I372-K376 PolarHBondContact O-N 2.96Å; D373-K376 PolarHBondContact O-N 2.99Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.16Å; K376-M379 PolarHBondContact O-N 2.83Å; K376-Q380 VanDerWaalsContact CE-NE2 3.33Å; K376-Q380 HydrophobicContact CG-CG 4.45Å; K376-Q380 WeakPolarHBondContact O-CB 3.42Å; K376-Q380 WeakPolarHBondContact O-CG 3.26Å; K376-Q380 PolarHBondContact O-N 3.18Å
377	T	81.9	Confident	76.1	Confident	64 Å²	64	72.2 Å²	72.2	39%	0.393	39%	0.388	S	S	.	.	H	α-helix	trans	-66.9	-38.9	-178.1	49.5	0	0	0	0	112.1	D373 L374 V375 Q380 N381	D373-T377 WeakPolarHBondContact O-CB 3.46Å; D373-T377 VanDerWaalsContact O-CG2 3.29Å; D373-T377 WeakPolarHBondContact O-CG2 3.44Å; D373-T377 PolarHBondContact O-N 3.34Å; D373-T377 PolarHBondContact O-OG1 3.49Å; L374-T377 WeakPolarHBondContact CA-OG1 3.45Å; L374-T377 PolarHBondContact O-N 3.12Å; L374-T377 PolarHBondContact O-OG1 3.45Å; V375-T377 PolarHBondContact O-N 2.79Å; T377-Q380 PolarHBondContact O-N 3.01Å; T377-N381 VanDerWaalsContact O-CB 3.31Å; T377-N381 WeakPolarHBondContact O-CB 3.1Å; T377-N381 VanDerWaalsContact O-CG 3.29Å; T377-N381 PolarHBondContact O-N 2.86Å
378	R	82.2	Confident	74.1	Confident	48 Å²	48	80.6 Å²	80.6	18%	0.181	42%	0.421	C	S	.	.	H	α-helix	trans	-63.9	-46.1	173.2	-73	-176.7	-175.8	-147.4	1	112.6	L374 V375 Q380 N381 Q382 Y393 V403 E407	L374-R378 WeakPolarHBondContact O-CG 3.39Å; L374-R378 PolarHBondContact O-N 3.41Å; V375-R378 PolarHBondContact O-N 2.96Å; R378-Q380 VanDerWaalsContact C-N 3.28Å; R378-Q380 PolarHBondContact O-N 3.39Å; R378-N381 PolarHBondContact O-N 2.96Å; R378-Q382 PolarHBondContact O-N 3.16Å; R378-Y393 HydrophobicContact CB-CE2 4.15Å; R378-Y393 PolarHBondContact NH1-OH 2.95Å; R378-V403 VanDerWaalsContact NH1-CG2 3.27Å; R378-E407 IonicContact CZ-OE1 2.93Å; R378-E407 IonicContact CZ-OE2 3.89Å; R378-E407 IonicContact NH1-OE1 3.9Å; R378-E407 PolarHBondContact NH1-OE1 2.85Å; R378-E407 IonicContact NH1-OE2 3.21Å; R378-E407 IonicContact NH2-OE1 2.98Å; R378-E407 PolarHBondContact NH2-OE1 3.34Å; R378-E407 IonicContact NH2-OE2 3.51Å; R378-E407 PolarHBondContact NH2-OE2 3.44Å
379	M	78.5	Confident	72.2	Confident	54 Å²	54	81.3 Å²	81.3	27%	0.266	43%	0.434	S	S	.	.	H	α-helix	trans	-61	-37.4	175.2	-74.9	-60.2	-42.6	0	0	112	V375 K376 C399	V375-M379 HydrophobicContact CG1-CG 4.31Å; V375-M379 WeakPolarHBondContact O-CB 3.48Å; V375-M379 VanDerWaalsContact O-CG 3.24Å; V375-M379 WeakPolarHBondContact O-CG 3.01Å; V375-M379 PolarHBondContact O-N 3.15Å; K376-M379 PolarHBondContact O-N 2.83Å; M379-C399 HydrophobicContact CG-CB 4.38Å; M379-C399 HydrophobicContact SD-CB 4.06Å
380	Q	73.4	Confident	70.6	Confident	129 Å²	129	90.1 Å²	90.1	60%	0.603	47%	0.474	S	S	*	.	H	α-helix	trans	-74	-33.1	177.3	-74.9	179.5	-21.9	0	0	113.3	K376 T377 R378 Q382	K376-Q380 VanDerWaalsContact CE-NE2 3.33Å; K376-Q380 HydrophobicContact CG-CG 4.45Å; K376-Q380 WeakPolarHBondContact O-CB 3.42Å; K376-Q380 WeakPolarHBondContact O-CG 3.26Å; K376-Q380 PolarHBondContact O-N 3.18Å; T377-Q380 PolarHBondContact O-N 3.01Å; R378-Q380 VanDerWaalsContact C-N 3.28Å; R378-Q380 PolarHBondContact O-N 3.39Å; Q380-Q382 VanDerWaalsContact C-N 3.34Å
381	N	70.5	Confident	69.3	Low	128 Å²	128	92.8 Å²	92.8	68%	0.684	50%	0.495	S	S	*	.	H	α-helix	trans	-82.1	-11.9	177.9	-73.9	-13.7	0	0	0	113.2	T377 R378 R383	T377-N381 VanDerWaalsContact O-CB 3.31Å; T377-N381 WeakPolarHBondContact O-CB 3.1Å; T377-N381 VanDerWaalsContact O-CG 3.29Å; T377-N381 PolarHBondContact O-N 2.86Å; R378-N381 PolarHBondContact O-N 2.96Å; N381-R383 PolarHBondContact O-N 3.37Å
382	Q	72.2	Confident	68.1	Low	47 Å²	47	98.3 Å²	98.3	22%	0.22	52%	0.52	C	S	.	.			trans	-66.5	98.9	174.3	-174	173.7	-34.2	0	0	109.8	R378 Q380 P391 Y393	R378-Q382 PolarHBondContact O-N 3.16Å; Q380-Q382 VanDerWaalsContact C-N 3.34Å; Q382-P391 VanDerWaalsContact NE2-CB 3.26Å; Q382-Y393 PolarHBondContact NE2-O 3.35Å; Q382-Y393 VanDerWaalsContact OE1-CD2 3.3Å; Q382-Y393 PolarHBondContact OE1-O 3.36Å
383	R	59.1	Low	67.4	Low	221 Å²	221	95.8 Å²	95.8	83%	0.834	51%	0.506	S	S	*	.			trans	-78.8	124	174.3	-64.8	-178.4	-179.6	177.7	2.6	108.8	N381 S385	N381-R383 PolarHBondContact O-N 3.37Å; R383-S385 PolarHBondContact O-N 3.06Å
384	T	51.1	Low	67	Low	149 Å²	149	99.4 Å²	99.4	91%	0.914	53%	0.529	S	S	*	.			trans	-68.9	13.9	170.6	-40.4	0	0	0	0	113.1
385	S	40	Very low	66.8	Low	91 Å²	91	102.8 Å²	102.8	64%	0.636	55%	0.547	S	S	*	.			trans	-110	104.2	-175.7	-67.5	0	0	0	0	110.1	R383	R383-S385 PolarHBondContact O-N 3.06Å
386	L	49	Very low	66.7	Low	162 Å²	162	105.6 Å²	105.6	85%	0.848	57%	0.567	S	S	*	*	S	Bend		160.1	105.5	120.5	-80.6	155.7	0	0	0	108.8
387	S	49.6	Very low	66.9	Low	105 Å²	105	111.4 Å²	111.4	73%	0.734	59%	0.587	S	S	*	*	S	Bend	trans	50.9	101.3	153.5	-52.6	0	0	0	0	118.5
388	F	50.6	Low	67.2	Low	221 Å²	221	110.4 Å²	110.4	97%	0.969	58%	0.58	S	S	*	*	S	Bend	trans	62	58.5	161.2	-66.3	-84.4	0	0	0	118.3
389	G	53.5	Low	67.4	Low	70 Å²	70	108.1 Å²	108.1	72%	0.722	57%	0.571	S	S	*	*			trans	-153.2	137.6	165.8	0	0	0	0	0	111.9
390	E	58	Low	67.9	Low	187 Å²	187	108.3 Å²	108.3	87%	0.874	57%	0.57	S	S	*	*			trans	-52.8	148	170.7	-70	-174.6	159.2	0	0	110.7	M392	E390-M392 PolarHBondContact O-N 3.26Å
391	P	63.2	Low	68.9	Low	78 Å²	78	110 Å²	110	51%	0.506	57%	0.572	S	S	.	*			trans	-54.5	125.2	176.6	23.2	-33.7	0	0	0	110.8	Q382 Y393	Q382-P391 VanDerWaalsContact NE2-CB 3.26Å; P391-Y393 PolarHBondContact O-N 3.1Å; P391-Y393 VanDerWaalsContact O-N 3.08Å
392	M	66.3	Low	69.7	Low	136 Å²	136	107 Å²	107	67%	0.67	55%	0.554	S	S	*	*	S	Bend	trans	-52.1	-35.2	-178.9	-172	172.2	85.8	0	0	112.9	E390	E390-M392 PolarHBondContact O-N 3.26Å
393	Y	73	Confident	70.5	Confident	26 Å²	26	104.9 Å²	104.9	10%	0.102	54%	0.544	C	S	.	.			trans	-126.1	131.2	167	-49.7	-65.5	0	0	0	110.1	R378 Q382 P391 C399 M402	R378-Y393 HydrophobicContact CB-CE2 4.15Å; R378-Y393 PolarHBondContact NH1-OH 2.95Å; Q382-Y393 PolarHBondContact NE2-O 3.35Å; Q382-Y393 VanDerWaalsContact OE1-CD2 3.3Å; Q382-Y393 PolarHBondContact OE1-O 3.36Å; P391-Y393 PolarHBondContact O-N 3.1Å; P391-Y393 VanDerWaalsContact O-N 3.08Å; Y393-C399 VanDerWaalsContact CD1-CA 3.49Å; Y393-C399 HydrophobicContact CD1-CB 3.83Å; Y393-C399 HydrophobicContact CD2-CB 4.2Å; Y393-C399 HydrophobicContact CE1-CB 4.35Å; Y393-C399 HydrophobicContact CG-CB 3.71Å; Y393-M402 HydrophobicContact CD1-CB 4.2Å; Y393-M402 HydrophobicContact CD1-CG 4.42Å; Y393-M402 HydrophobicContact CE1-CB 3.84Å; Y393-M402 HydrophobicContact CE1-CG 4.45Å
394	T	78.8	Confident	72.1	Confident	92 Å²	92	97.1 Å²	97.1	56%	0.564	52%	0.519	S	S	*	.	S	Bend	trans	-83	-37.3	-178.9	57.3	0	0	0	0	112.9	N398	T394-N398 WeakPolarHBondContact OG1-CB 3.26Å; T394-N398 PolarHBondContact OG1-ND2 2.89Å
395	N	82.2	Confident	74	Confident	83 Å²	83	99.2 Å²	99.2	44%	0.444	51%	0.51	S	S	.	.	S	Bend	trans	-152	169.7	177.3	62.8	32.1	0	0	0	110.5	W397 N398 C399	N395-W397 PolarHBondContact O-N 3.41Å; N395-W397 PolarHBondContact OD1-N 3.11Å; N395-N398 WeakPolarHBondContact O-CB 2.94Å; N395-N398 PolarHBondContact O-N 3.48Å; N395-N398 VanDerWaalsContact O-N 3.15Å; N395-N398 WeakPolarHBondContact OD1-CB 3.17Å; N395-N398 PolarHBondContact OD1-N 3.13Å; N395-C399 PolarHBondContact O-N 3.2Å
396	S	84.6	Confident	76.4	Confident	72 Å²	72	101.7 Å²	101.7	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-57.3	-35.1	-179.3	-53.5	0	0	0	0	113	V375 C399 F400	V375-S396 WeakPolarHBondContact CG1-O 3.46Å; S396-C399 PolarHBondContact O-N 3.04Å; S396-F400 WeakPolarHBondContact O-CB 3.38Å; S396-F400 PolarHBondContact O-N 2.93Å
397	W	87.6	Confident	78.2	Confident	176 Å²	176	97.7 Å²	97.7	67%	0.667	49%	0.488	S	S	*	.	H	α-helix	trans	-71.1	-38.6	178.7	-176	-110.2	0	0	0	112.6	N395 F400 R401	N395-W397 PolarHBondContact O-N 3.41Å; N395-W397 PolarHBondContact OD1-N 3.11Å; W397-F400 HydrophobicContact CE3-CD1 4.11Å; W397-F400 HydrophobicContact CH2-CD1 4.34Å; W397-F400 HydrophobicContact CH2-CE1 4.32Å; W397-F400 AromaticContact CZ3-CD1 3.89Å; W397-F400 HydrophobicContact CZ3-CD1 3.89Å; W397-F400 HydrophobicContact CZ3-CE1 4.11Å; W397-F400 PolarHBondContact O-N 2.86Å; W397-R401 WeakPolarHBondContact O-CB 3.35Å; W397-R401 PolarHBondContact O-N 3.01Å
398	N	88	Confident	80	Confident	43 Å²	43	94.1 Å²	94.1	23%	0.23	47%	0.468	C	S	.	.	H	α-helix	trans	-63.9	-46.9	173.3	-178.6	-57.5	0	0	0	109.6	T394 N395 F400 R401 M402	T394-N398 WeakPolarHBondContact OG1-CB 3.26Å; T394-N398 PolarHBondContact OG1-ND2 2.89Å; N395-N398 WeakPolarHBondContact O-CB 2.94Å; N395-N398 PolarHBondContact O-N 3.48Å; N395-N398 VanDerWaalsContact O-N 3.15Å; N395-N398 WeakPolarHBondContact OD1-CB 3.17Å; N395-N398 PolarHBondContact OD1-N 3.13Å; N398-F400 VanDerWaalsContact C-N 3.33Å; N398-F400 PolarHBondContact O-N 3.43Å; N398-R401 PolarHBondContact O-N 2.79Å; N398-M402 VanDerWaalsContact O-CB 3.32Å; N398-M402 WeakPolarHBondContact O-CB 3.34Å; N398-M402 VanDerWaalsContact O-CG 3.28Å; N398-M402 WeakPolarHBondContact O-CG 3.21Å; N398-M402 PolarHBondContact O-N 2.89Å; N398-M402 WeakPolarHBondContact OD1-CG 3.2Å
399	C	86.4	Confident	81.9	Confident	0 Å²	0	89.7 Å²	89.7	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-54.6	-49.6	173.6	-179.3	0	0	0	0	111.4	V375 M379 Y393 N395 S396 R401 M402 V403	V375-C399 HydrophobicContact CG1-CB 4.14Å; M379-C399 HydrophobicContact CG-CB 4.38Å; M379-C399 HydrophobicContact SD-CB 4.06Å; Y393-C399 VanDerWaalsContact CD1-CA 3.49Å; Y393-C399 HydrophobicContact CD1-CB 3.83Å; Y393-C399 HydrophobicContact CD2-CB 4.2Å; Y393-C399 HydrophobicContact CE1-CB 4.35Å; Y393-C399 HydrophobicContact CG-CB 3.71Å; N395-C399 PolarHBondContact O-N 3.2Å; S396-C399 PolarHBondContact O-N 3.04Å; C399-R401 PolarHBondContact O-N 3.01Å; C399-M402 PolarHBondContact O-N 2.93Å; C399-V403 WeakPolarHBondContact O-CG2 2.91Å; C399-V403 PolarHBondContact O-N 3.18Å
400	F	89.4	Confident	83.7	Confident	58 Å²	58	94.7 Å²	94.7	25%	0.254	45%	0.45	S	S	.	.	H	α-helix	trans	-57.7	-49.3	177.5	177	-105.6	0	0	0	112.5	P371 V375 S396 W397 N398 M402 V403 L404 L412	P371-F400 HydrophobicContact CB-CE2 4.49Å; V375-F400 HydrophobicContact CG2-CB 3.88Å; V375-F400 HydrophobicContact CG2-CD2 4.16Å; S396-F400 WeakPolarHBondContact O-CB 3.38Å; S396-F400 PolarHBondContact O-N 2.93Å; W397-F400 HydrophobicContact CE3-CD1 4.11Å; W397-F400 HydrophobicContact CH2-CD1 4.34Å; W397-F400 HydrophobicContact CH2-CE1 4.32Å; W397-F400 AromaticContact CZ3-CD1 3.89Å; W397-F400 HydrophobicContact CZ3-CD1 3.89Å; W397-F400 HydrophobicContact CZ3-CE1 4.11Å; W397-F400 PolarHBondContact O-N 2.86Å; N398-F400 VanDerWaalsContact C-N 3.33Å; N398-F400 PolarHBondContact O-N 3.43Å; F400-M402 VanDerWaalsContact C-N 3.35Å; F400-M402 PolarHBondContact O-N 2.82Å; F400-V403 PolarHBondContact O-N 3.4Å; F400-L404 HydrophobicContact CD1-CD1 4Å; F400-L404 HydrophobicContact CE1-CD1 3.37Å; F400-L404 HydrophobicContact CE1-CG 4.46Å; F400-L404 HydrophobicContact CE2-CD1 4.07Å; F400-L404 HydrophobicContact CE2-CG 4.46Å; F400-L404 HydrophobicContact CZ-CD1 3.41Å; F400-L404 VanDerWaalsContact CZ-CD1 3.41Å; F400-L404 HydrophobicContact CZ-CG 4.26Å; F400-L404 PolarHBondContact O-N 3.36Å; F400-L412 HydrophobicContact CD2-CD1 4.48Å; F400-L412 HydrophobicContact CD2-CD2 3.85Å; F400-L412 HydrophobicContact CE2-CD1 3.68Å; F400-L412 HydrophobicContact CE2-CD2 3.87Å; F400-L412 HydrophobicContact CE2-CG 4.47Å; F400-L412 HydrophobicContact CZ-CD1 4.29Å
401	R	92.9	Very high	85.1	Confident	166 Å²	166	86 Å²	86	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-64	-38.6	179.1	-171.5	177.7	-178.1	170.8	1.2	112.1	W397 N398 C399 R405	W397-R401 WeakPolarHBondContact O-CB 3.35Å; W397-R401 PolarHBondContact O-N 3.01Å; N398-R401 PolarHBondContact O-N 2.79Å; C399-R401 PolarHBondContact O-N 3.01Å; R401-R405 VanDerWaalsContact O-CB 3.26Å; R401-R405 WeakPolarHBondContact O-CB 3.01Å; R401-R405 PolarHBondContact O-N 2.88Å
402	M	88.8	Confident	86.3	Confident	65 Å²	65	82.6 Å²	82.6	32%	0.32	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-42.8	176.7	-74.9	-62.5	174.7	0	0	111.5	Y393 N398 C399 F400 L404 R405 H406	Y393-M402 HydrophobicContact CD1-CB 4.2Å; Y393-M402 HydrophobicContact CD1-CG 4.42Å; Y393-M402 HydrophobicContact CE1-CB 3.84Å; Y393-M402 HydrophobicContact CE1-CG 4.45Å; N398-M402 VanDerWaalsContact O-CB 3.32Å; N398-M402 WeakPolarHBondContact O-CB 3.34Å; N398-M402 VanDerWaalsContact O-CG 3.28Å; N398-M402 WeakPolarHBondContact O-CG 3.21Å; N398-M402 PolarHBondContact O-N 2.89Å; N398-M402 WeakPolarHBondContact OD1-CG 3.2Å; C399-M402 PolarHBondContact O-N 2.93Å; F400-M402 VanDerWaalsContact C-N 3.35Å; F400-M402 PolarHBondContact O-N 2.82Å; M402-L404 PolarHBondContact O-N 2.93Å; M402-R405 PolarHBondContact O-N 3.12Å; M402-H406 WeakPolarHBondContact O-CB 2.97Å; M402-H406 PolarHBondContact O-CD2 2.88Å; M402-H406 VanDerWaalsContact O-CD2 3.31Å; M402-H406 PolarHBondContact O-N 3.1Å
403	V	89.3	Confident	87.5	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-48.6	174.4	-178.6	0	0	0	0	110.3	L374 R378 C399 F400 R405 H406 E407 G408 L412	L374-V403 HydrophobicContact CD2-CG1 3.93Å; R378-V403 VanDerWaalsContact NH1-CG2 3.27Å; C399-V403 WeakPolarHBondContact O-CG2 2.91Å; C399-V403 PolarHBondContact O-N 3.18Å; F400-V403 PolarHBondContact O-N 3.4Å; V403-R405 VanDerWaalsContact C-N 3.29Å; V403-R405 PolarHBondContact O-N 3.24Å; V403-H406 PolarHBondContact O-N 3.24Å; V403-E407 HydrophobicContact CG1-CB 4.31Å; V403-E407 WeakPolarHBondContact O-CA 3.47Å; V403-E407 WeakPolarHBondContact O-CB 3.38Å; V403-E407 PolarHBondContact O-N 3.42Å; V403-G408 PolarHBondContact O-N 2.76Å; V403-L412 HydrophobicContact CB-CD2 4.11Å; V403-L412 HydrophobicContact CG1-CD2 3.78Å; V403-L412 HydrophobicContact CG1-CG 4.37Å
404	L	91.4	Very high	88.1	Confident	59 Å²	59	87.4 Å²	87.4	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-60.3	-37.9	177.6	-83.9	176.3	0	0	0	113	F400 M402 G408 L412	F400-L404 HydrophobicContact CD1-CD1 4Å; F400-L404 HydrophobicContact CE1-CD1 3.37Å; F400-L404 HydrophobicContact CE1-CG 4.46Å; F400-L404 HydrophobicContact CE2-CD1 4.07Å; F400-L404 HydrophobicContact CE2-CG 4.46Å; F400-L404 HydrophobicContact CZ-CD1 3.41Å; F400-L404 VanDerWaalsContact CZ-CD1 3.41Å; F400-L404 HydrophobicContact CZ-CG 4.26Å; F400-L404 PolarHBondContact O-N 3.36Å; M402-L404 PolarHBondContact O-N 2.93Å; L404-G408 VanDerWaalsContact O-CA 3.23Å; L404-G408 WeakPolarHBondContact O-CA 3.01Å; L404-G408 PolarHBondContact O-N 3.12Å; L404-L412 HydrophobicContact CD1-CD1 4.5Å; L404-L412 HydrophobicContact CD2-CD1 3.46Å; L404-L412 VanDerWaalsContact CD2-CD1 3.46Å; L404-L412 HydrophobicContact CD2-CG 3.97Å; L404-L412 HydrophobicContact CG-CD1 3.9Å; L404-L412 HydrophobicContact CG-CD2 4.46Å; L404-L412 HydrophobicContact CG-CG 4.29Å
405	R	91.6	Very high	88.3	Confident	193 Å²	193	84.9 Å²	84.9	73%	0.728	39%	0.393	S	S	*	.	H	α-helix	trans	-74.8	-39.9	-179.1	-172.8	177	-177	165.5	1.1	112.9	R401 M402 V403	R401-R405 VanDerWaalsContact O-CB 3.26Å; R401-R405 WeakPolarHBondContact O-CB 3.01Å; R401-R405 PolarHBondContact O-N 2.88Å; M402-R405 PolarHBondContact O-N 3.12Å; V403-R405 VanDerWaalsContact C-N 3.29Å; V403-R405 PolarHBondContact O-N 3.24Å
406	H	90.1	Very high	88.5	Confident	143 Å²	143	82.3 Å²	82.3	66%	0.662	38%	0.379	S	S	*	.	H	α-helix	trans	-95.9	-32.9	-172.8	-74	-76.6	0	0	0	114.1	M402 V403	M402-H406 WeakPolarHBondContact O-CB 2.97Å; M402-H406 PolarHBondContact O-CD2 2.88Å; M402-H406 VanDerWaalsContact O-CD2 3.31Å; M402-H406 PolarHBondContact O-N 3.1Å; V403-H406 PolarHBondContact O-N 3.24Å
407	E	87.1	Confident	88.5	Confident	78 Å²	78	82.3 Å²	82.3	36%	0.364	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-6.5	-177.3	-61	176.8	-147.3	0	0	112.8	R378 V403 G411	R378-E407 IonicContact CZ-OE1 2.93Å; R378-E407 IonicContact CZ-OE2 3.89Å; R378-E407 IonicContact NH1-OE1 3.9Å; R378-E407 PolarHBondContact NH1-OE1 2.85Å; R378-E407 IonicContact NH1-OE2 3.21Å; R378-E407 IonicContact NH2-OE1 2.98Å; R378-E407 PolarHBondContact NH2-OE1 3.34Å; R378-E407 IonicContact NH2-OE2 3.51Å; R378-E407 PolarHBondContact NH2-OE2 3.44Å; V403-E407 HydrophobicContact CG1-CB 4.31Å; V403-E407 WeakPolarHBondContact O-CA 3.47Å; V403-E407 WeakPolarHBondContact O-CB 3.38Å; V403-E407 PolarHBondContact O-N 3.42Å; E407-G411 PolarHBondContact O-N 3.09Å
408	G	88.3	Confident	88.2	Confident	29 Å²	29	77.5 Å²	77.5	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	72.5	-175	-178.3	0	0	0	0	0	113.4	V403 L404 F410 G411	V403-G408 PolarHBondContact O-N 2.76Å; L404-G408 VanDerWaalsContact O-CA 3.23Å; L404-G408 WeakPolarHBondContact O-CA 3.01Å; L404-G408 PolarHBondContact O-N 3.12Å; G408-F410 PolarHBondContact O-N 3.46Å; G408-G411 PolarHBondContact O-N 3.14Å; G408-G411 VanDerWaalsContact O-N 3.16Å
409	F	90.5	Very high	88	Confident	129 Å²	129	78.1 Å²	78.1	57%	0.566	38%	0.376	S	S	*	.	H	α-helix	trans	-60.1	-43.6	-179.8	179.6	-100.2	0	0	0	112.8	G411 L412 Y413	F409-G411 PolarHBondContact O-N 3.31Å; F409-L412 WeakPolarHBondContact O-CB 2.97Å; F409-L412 PolarHBondContact O-N 3.03Å; F409-Y413 HydrophobicContact CE1-CE2 4.06Å; F409-Y413 HydrophobicContact CE2-CE2 4.29Å; F409-Y413 AromaticContact CZ-CE2 3.83Å; F409-Y413 HydrophobicContact CZ-CE2 3.83Å
410	F	90.4	Very high	88.1	Confident	174 Å²	174	79.7 Å²	79.7	76%	0.763	38%	0.384	S	S	*	.	H	α-helix	trans	-68	-23	177.8	-64.4	-69	0	0	0	113.2	G408 L412 Y413 R414	G408-F410 PolarHBondContact O-N 3.46Å; F410-L412 PolarHBondContact O-N 2.8Å; F410-Y413 PolarHBondContact O-N 3.24Å; F410-R414 PolarHBondContact O-N 2.85Å
411	G	87.1	Confident	87.8	Confident	6 Å²	6	80.1 Å²	80.1	6%	0.062	40%	0.398	C	S	.	.	H	α-helix	trans	-57.9	-34.9	171.6	0	0	0	0	0	113.1	L374 E407 G408 F409 Y413 R414	L374-G411 WeakPolarHBondContact CD2-O 3.27Å; E407-G411 PolarHBondContact O-N 3.09Å; G408-G411 PolarHBondContact O-N 3.14Å; G408-G411 VanDerWaalsContact O-N 3.16Å; F409-G411 PolarHBondContact O-N 3.31Å; G411-Y413 PolarHBondContact O-N 3.04Å; G411-Y413 VanDerWaalsContact O-N 3.13Å; G411-R414 WeakPolarHBondContact O-CB 2.97Å; G411-R414 PolarHBondContact O-N 3.36Å
412	L	89	Confident	87.3	Confident	6 Å²	6	73.2 Å²	73.2	3%	0.031	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21	175.6	-68.7	176	0	0	0	113.4	Y370 P371 L374 F400 V403 L404 F409 F410	Y370-L412 WeakPolarHBondContact CD1-O 3.14Å; Y370-L412 WeakPolarHBondContact CE1-O 3.48Å; P371-L412 HydrophobicContact CB-CB 4.38Å; P371-L412 HydrophobicContact CB-CD1 4.36Å; P371-L412 HydrophobicContact CB-CD2 4.37Å; P371-L412 HydrophobicContact CG-CB 4.3Å; L374-L412 HydrophobicContact CD2-CD2 4.37Å; F400-L412 HydrophobicContact CD2-CD1 4.48Å; F400-L412 HydrophobicContact CD2-CD2 3.85Å; F400-L412 HydrophobicContact CE2-CD1 3.68Å; F400-L412 HydrophobicContact CE2-CD2 3.87Å; F400-L412 HydrophobicContact CE2-CG 4.47Å; F400-L412 HydrophobicContact CZ-CD1 4.29Å; V403-L412 HydrophobicContact CB-CD2 4.11Å; V403-L412 HydrophobicContact CG1-CD2 3.78Å; V403-L412 HydrophobicContact CG1-CG 4.37Å; L404-L412 HydrophobicContact CD1-CD1 4.5Å; L404-L412 HydrophobicContact CD2-CD1 3.46Å; L404-L412 VanDerWaalsContact CD2-CD1 3.46Å; L404-L412 HydrophobicContact CD2-CG 3.97Å; L404-L412 HydrophobicContact CG-CD1 3.9Å; L404-L412 HydrophobicContact CG-CD2 4.46Å; L404-L412 HydrophobicContact CG-CG 4.29Å; F409-L412 WeakPolarHBondContact O-CB 2.97Å; F409-L412 PolarHBondContact O-N 3.03Å; F410-L412 PolarHBondContact O-N 2.8Å
413	Y	91.3	Very high	87.2	Confident	65 Å²	65	70.3 Å²	70.3	26%	0.255	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	6	-176.9	-64	-84.6	0	0	0	113.6	T367 Y370 P371 F409 F410 G411 G415 L416	T367-Y413 HydrophobicContact CG2-CD1 4.34Å; T367-Y413 HydrophobicContact CG2-CE1 3.99Å; T367-Y413 WeakPolarHBondContact O-CE1 3.4Å; Y370-Y413 HydrophobicContact CD1-CD1 4.08Å; P371-Y413 HydrophobicContact CG-CE1 4.22Å; P371-Y413 HydrophobicContact CG-CE2 4.41Å; F409-Y413 HydrophobicContact CE1-CE2 4.06Å; F409-Y413 HydrophobicContact CE2-CE2 4.29Å; F409-Y413 AromaticContact CZ-CE2 3.83Å; F409-Y413 HydrophobicContact CZ-CE2 3.83Å; F410-Y413 PolarHBondContact O-N 3.24Å; G411-Y413 PolarHBondContact O-N 3.04Å; G411-Y413 VanDerWaalsContact O-N 3.13Å; Y413-G415 PolarHBondContact O-N 3.2Å; Y413-G415 VanDerWaalsContact O-N 3.13Å; Y413-L416 HydrophobicContact CD1-CD2 4.28Å; Y413-L416 VanDerWaalsContact O-CB 3.29Å; Y413-L416 WeakPolarHBondContact O-CB 3.44Å; Y413-L416 PolarHBondContact O-N 2.87Å; Y413-L416 VanDerWaalsContact O-N 3.12Å
414	R	85.4	Confident	87.2	Confident	197 Å²	197	73.5 Å²	73.5	74%	0.743	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	111.1	-179.2	-171.2	174.3	-178.8	142.4	0.6	110.7	Y370 F410 G411	Y370-R414 PolarHBondContact OH-O 2.73Å; F410-R414 PolarHBondContact O-N 2.85Å; G411-R414 WeakPolarHBondContact O-CB 2.97Å; G411-R414 PolarHBondContact O-N 3.36Å
415	G	83.2	Confident	86.9	Confident	40 Å²	40	73 Å²	73	41%	0.412	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.2	9.6	-175.9	0	0	0	0	0	114.3	Y370 Y413 A417 P418	Y370-G415 VanDerWaalsContact OH-CA 3.25Å; Y370-G415 WeakPolarHBondContact OH-CA 3.41Å; Y370-G415 PolarHBondContact OH-O 2.75Å; Y413-G415 PolarHBondContact O-N 3.2Å; Y413-G415 VanDerWaalsContact O-N 3.13Å; G415-A417 PolarHBondContact O-N 2.96Å; G415-P418 WeakPolarHBondContact O-CD 3.4Å
416	L	86.4	Confident	86.8	Confident	29 Å²	29	65.9 Å²	65.9	15%	0.152	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-40	177.7	179.4	63.2	0	0	0	112.6	T367 Y370 Y413 Q419 L420	T367-L416 HydrophobicContact CG2-CD2 3.91Å; Y370-L416 HydrophobicContact CD2-CB 4.45Å; Y370-L416 HydrophobicContact CD2-CD1 3.58Å; Y370-L416 HydrophobicContact CE1-CB 4.44Å; Y370-L416 HydrophobicContact CE2-CB 4.32Å; Y370-L416 HydrophobicContact CE2-CD1 4.17Å; Y370-L416 HydrophobicContact CG-CD1 3.8Å; Y370-L416 PolarHBondContact OH-N 3.14Å; Y413-L416 HydrophobicContact CD1-CD2 4.28Å; Y413-L416 VanDerWaalsContact O-CB 3.29Å; Y413-L416 WeakPolarHBondContact O-CB 3.44Å; Y413-L416 PolarHBondContact O-N 2.87Å; Y413-L416 VanDerWaalsContact O-N 3.12Å; L416-Q419 WeakPolarHBondContact O-CA 3.48Å; L416-Q419 VanDerWaalsContact O-CB 3.31Å; L416-Q419 WeakPolarHBondContact O-CB 3.18Å; L416-Q419 PolarHBondContact O-N 3.04Å; L416-L420 HydrophobicContact CD1-CD1 4.23Å; L416-L420 HydrophobicContact CD1-CD2 4.06Å; L416-L420 HydrophobicContact CD1-CG 3.87Å; L416-L420 HydrophobicContact CD2-CD1 4.11Å; L416-L420 HydrophobicContact CG-CD1 3.74Å; L416-L420 HydrophobicContact CG-CD2 4.47Å; L416-L420 HydrophobicContact CG-CG 3.85Å; L416-L420 WeakPolarHBondContact O-CG 3.16Å; L416-L420 PolarHBondContact O-N 3.31Å
417	A	84.6	Confident	86.7	Confident	71 Å²	71	59.5 Å²	59.5	59%	0.587	33%	0.326	S	S	*	.	H	α-helix	trans	-59.6	-49.5	-174.5	0	0	0	0	0	114.4	G415 Q419 L420 A421	G415-A417 PolarHBondContact O-N 2.96Å; A417-Q419 PolarHBondContact O-N 3.03Å; A417-L420 PolarHBondContact O-N 2.84Å; A417-A421 PolarHBondContact O-N 2.95Å
418	P	80.7	Confident	86.8	Confident	75 Å²	75	55.8 Å²	55.8	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-25.5	172.8	-24.9	32.7	0	0	0	114.6	G415 K474	G415-P418 WeakPolarHBondContact O-CD 3.4Å; P418-K474 PolarHBondContact O-NZ 3.36Å
419	Q	84.4	Confident	86.9	Confident	56 Å²	56	55.6 Å²	55.6	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-74.8	-46.9	174.4	-174.8	63	10.5	0	0	110.4	Y370 L416 A417 A421 G422 V423	Y370-Q419 HydrophobicContact CD2-CG 4.38Å; Y370-Q419 HydrophobicContact CE2-CB 4.08Å; Y370-Q419 HydrophobicContact CE2-CG 4.31Å; L416-Q419 WeakPolarHBondContact O-CA 3.48Å; L416-Q419 VanDerWaalsContact O-CB 3.31Å; L416-Q419 WeakPolarHBondContact O-CB 3.18Å; L416-Q419 PolarHBondContact O-N 3.04Å; A417-Q419 PolarHBondContact O-N 3.03Å; Q419-A421 VanDerWaalsContact C-N 3.33Å; Q419-A421 PolarHBondContact O-N 3.37Å; Q419-G422 PolarHBondContact O-N 3.08Å; Q419-G422 VanDerWaalsContact O-N 3.17Å; Q419-V423 HydrophobicContact CG-CG2 4.26Å; Q419-V423 WeakPolarHBondContact O-CG2 3.24Å; Q419-V423 PolarHBondContact O-N 3.07Å
420	L	87.5	Confident	86.9	Confident	34 Å²	34	49.7 Å²	49.7	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-41.4	176.6	-68	180	0	0	0	112.5	A363 A366 L416 A417 G422 V423 M424	A363-L420 HydrophobicContact CB-CD2 3.88Å; A366-L420 HydrophobicContact CB-CD2 3.96Å; L416-L420 HydrophobicContact CD1-CD1 4.23Å; L416-L420 HydrophobicContact CD1-CD2 4.06Å; L416-L420 HydrophobicContact CD1-CG 3.87Å; L416-L420 HydrophobicContact CD2-CD1 4.11Å; L416-L420 HydrophobicContact CG-CD1 3.74Å; L416-L420 HydrophobicContact CG-CD2 4.47Å; L416-L420 HydrophobicContact CG-CG 3.85Å; L416-L420 WeakPolarHBondContact O-CG 3.16Å; L416-L420 PolarHBondContact O-N 3.31Å; A417-L420 PolarHBondContact O-N 2.84Å; L420-G422 PolarHBondContact O-N 3.19Å; L420-G422 VanDerWaalsContact O-N 3.17Å; L420-V423 PolarHBondContact O-N 3.15Å; L420-M424 HydrophobicContact CB-SD 4.38Å; L420-M424 WeakPolarHBondContact O-CB 3.4Å; L420-M424 WeakPolarHBondContact O-CG 3.42Å; L420-M424 PolarHBondContact O-N 3.49Å
421	A	83.8	Confident	86.8	Confident	66 Å²	66	41.7 Å²	41.7	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-58.1	-29.7	177.8	0	0	0	0	0	113.3	A417 Q419 P425	A417-A421 PolarHBondContact O-N 2.95Å; Q419-A421 VanDerWaalsContact C-N 3.33Å; Q419-A421 PolarHBondContact O-N 3.37Å; A421-P425 WeakPolarHBondContact O-CD 3.41Å
422	G	83	Confident	86.8	Confident	22 Å²	22	42.1 Å²	42.1	23%	0.227	24%	0.241	C	C	.	.	H	α-helix	trans	-85.5	-44.5	173.1	0	0	0	0	0	112.9	Q419 L420 E426	Q419-G422 PolarHBondContact O-N 3.08Å; Q419-G422 VanDerWaalsContact O-N 3.17Å; L420-G422 PolarHBondContact O-N 3.19Å; L420-G422 VanDerWaalsContact O-N 3.17Å; G422-E426 WeakPolarHBondContact O-CB 3.45Å; G422-E426 PolarHBondContact O-N 3.44Å
423	V	86.4	Confident	86.8	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-73.7	-36	-171.4	176.6	0	0	0	0	112.8	A366 Q419 L420 E426 K427	A366-V423 HydrophobicContact CB-CB 4.35Å; A366-V423 HydrophobicContact CB-CG1 4.01Å; A366-V423 HydrophobicContact CB-CG2 4.41Å; Q419-V423 HydrophobicContact CG-CG2 4.26Å; Q419-V423 WeakPolarHBondContact O-CG2 3.24Å; Q419-V423 PolarHBondContact O-N 3.07Å; L420-V423 PolarHBondContact O-N 3.15Å; V423-E426 WeakPolarHBondContact O-CB 3.36Å; V423-E426 PolarHBondContact O-N 3.44Å; V423-K427 HydrophobicContact CG1-CG 3.77Å; V423-K427 WeakPolarHBondContact O-CG 3.5Å; V423-K427 PolarHBondContact O-N 2.84Å
424	M	88	Confident	86.7	Confident	68 Å²	68	40.5 Å²	40.5	34%	0.335	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-54.2	-176.6	-70.7	175.2	69.3	0	0	112.1	A363 L420 E426 K427 A428	A363-M424 HydrophobicContact CB-CG 3.82Å; A363-M424 HydrophobicContact CB-SD 4.03Å; L420-M424 HydrophobicContact CB-SD 4.38Å; L420-M424 WeakPolarHBondContact O-CB 3.4Å; L420-M424 WeakPolarHBondContact O-CG 3.42Å; L420-M424 PolarHBondContact O-N 3.49Å; M424-E426 VanDerWaalsContact C-N 3.31Å; M424-E426 PolarHBondContact O-N 2.92Å; M424-K427 PolarHBondContact O-N 3.39Å; M424-A428 VanDerWaalsContact O-CB 3.23Å; M424-A428 WeakPolarHBondContact O-CB 3.28Å; M424-A428 PolarHBondContact O-N 2.88Å
425	P	87	Confident	86.6	Confident	49 Å²	49	32 Å²	32	32%	0.318	21%	0.208	S	C	.	.	H	α-helix	trans	-63.1	-38.3	175.8	-20.6	33.5	0	0	0	112.3	A421 A428 I429	A421-P425 WeakPolarHBondContact O-CD 3.41Å; P425-A428 PolarHBondContact O-N 3Å; P425-I429 WeakPolarHBondContact O-CB 3.41Å; P425-I429 VanDerWaalsContact O-CG1 3.22Å; P425-I429 WeakPolarHBondContact O-CG1 3.4Å; P425-I429 PolarHBondContact O-N 3.3Å
426	E	88.8	Confident	86.7	Confident	42 Å²	42	33.9 Å²	33.9	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-55.7	-54.6	178.5	-170.7	-159.6	134.1	0	0	111.4	G422 V423 M424 K430 Q463 T467	G422-E426 WeakPolarHBondContact O-CB 3.45Å; G422-E426 PolarHBondContact O-N 3.44Å; V423-E426 WeakPolarHBondContact O-CB 3.36Å; V423-E426 PolarHBondContact O-N 3.44Å; M424-E426 VanDerWaalsContact C-N 3.31Å; M424-E426 PolarHBondContact O-N 2.92Å; E426-K430 VanDerWaalsContact O-CB 3.23Å; E426-K430 WeakPolarHBondContact O-CB 3.48Å; E426-K430 PolarHBondContact O-N 2.98Å; E426-K430 VanDerWaalsContact O-N 3.14Å; E426-Q463 HydrophobicContact CB-CG 4.14Å; E426-Q463 HydrophobicContact CG-CG 3.38Å; E426-Q463 WeakPolarHBondContact O-CG 3.5Å; E426-T467 HydrophobicContact CB-CG2 4.05Å; E426-T467 HydrophobicContact CG-CG2 4.49Å
427	K	88.3	Confident	86.8	Confident	9 Å²	9	33.5 Å²	33.5	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-71	-38.7	-177.9	-58.8	-46	178.8	-162.1	0	111.9	V423 M424 K430 L431 F614	V423-K427 HydrophobicContact CG1-CG 3.77Å; V423-K427 WeakPolarHBondContact O-CG 3.5Å; V423-K427 PolarHBondContact O-N 2.84Å; M424-K427 PolarHBondContact O-N 3.39Å; K427-K430 PolarHBondContact O-N 3.15Å; K427-L431 WeakPolarHBondContact O-CB 3.38Å; K427-L431 WeakPolarHBondContact O-CG 3.4Å; K427-L431 PolarHBondContact O-N 2.58Å; K427-F614 HydrophobicContact CD-CE1 4.35Å
428	A	88.2	Confident	86.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-48.6	179.7	0	0	0	0	0	112.4	F355 S359 M424 P425 T432	F355-A428 HydrophobicContact CB-CB 4.43Å; F355-A428 HydrophobicContact CD1-CB 4.14Å; F355-A428 HydrophobicContact CD2-CB 3.37Å; F355-A428 HydrophobicContact CE1-CB 4.19Å; F355-A428 HydrophobicContact CE2-CB 3.44Å; F355-A428 VanDerWaalsContact CE2-CB 3.44Å; F355-A428 HydrophobicContact CG-CB 3.73Å; F355-A428 HydrophobicContact CZ-CB 3.86Å; F355-A428 VanDerWaalsContact O-CB 3.31Å; F355-A428 WeakPolarHBondContact O-CB 3.25Å; S359-A428 VanDerWaalsContact OG-CB 3.28Å; S359-A428 WeakPolarHBondContact OG-CB 3.46Å; M424-A428 VanDerWaalsContact O-CB 3.23Å; M424-A428 WeakPolarHBondContact O-CB 3.28Å; M424-A428 PolarHBondContact O-N 2.88Å; P425-A428 PolarHBondContact O-N 3Å; A428-T432 VanDerWaalsContact O-CB 3.31Å; A428-T432 WeakPolarHBondContact O-CB 3.46Å; A428-T432 PolarHBondContact O-N 3.44Å; A428-T432 PolarHBondContact O-OG1 3.48Å
429	I	90.4	Very high	86.7	Confident	25 Å²	25	29.2 Å²	29.2	13%	0.128	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-45.5	178.8	-63.6	171.9	0	0	0	110.2	F355 P425 L431 V433 Q463 F466	F355-I429 HydrophobicContact CD2-CG1 4.39Å; F355-I429 HydrophobicContact CE2-CG1 3.92Å; P425-I429 WeakPolarHBondContact O-CB 3.41Å; P425-I429 VanDerWaalsContact O-CG1 3.22Å; P425-I429 WeakPolarHBondContact O-CG1 3.4Å; P425-I429 PolarHBondContact O-N 3.3Å; I429-L431 PolarHBondContact O-N 2.97Å; I429-V433 HydrophobicContact CG2-CG2 4.18Å; I429-V433 WeakPolarHBondContact O-CB 3.25Å; I429-V433 VanDerWaalsContact O-CG2 3.29Å; I429-V433 WeakPolarHBondContact O-CG2 3.11Å; I429-V433 PolarHBondContact O-N 3.45Å; I429-Q463 HydrophobicContact CG2-CB 4.43Å; I429-F466 HydrophobicContact CD1-CB 3.52Å; I429-F466 HydrophobicContact CD1-CD2 4.03Å; I429-F466 HydrophobicContact CD1-CG 4.01Å; I429-F466 HydrophobicContact CG2-CD2 4.19Å
430	K	90.5	Very high	86.6	Confident	5 Å²	5	33.4 Å²	33.4	2%	0.022	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-44.6	-179.3	177.2	170.7	168.5	164	0	112.3	E426 K427 N434 Q463 S518 F522	E426-K430 VanDerWaalsContact O-CB 3.23Å; E426-K430 WeakPolarHBondContact O-CB 3.48Å; E426-K430 PolarHBondContact O-N 2.98Å; E426-K430 VanDerWaalsContact O-N 3.14Å; K427-K430 PolarHBondContact O-N 3.15Å; K430-N434 WeakPolarHBondContact O-CB 3.46Å; K430-N434 PolarHBondContact O-N 3.41Å; K430-N434 VanDerWaalsContact O-N 3.16Å; K430-Q463 HydrophobicContact CB-CB 4.2Å; K430-S518 WeakPolarHBondContact CE-OG 3.03Å; K430-S518 PolarHBondContact NZ-OG 3.06Å; K430-F522 HydrophobicContact CD-CE2 4.17Å; K430-F522 HydrophobicContact CD-CZ 4.42Å; K430-F522 HydrophobicContact CG-CE2 3.7Å; K430-F522 HydrophobicContact CG-CZ 3.82Å
431	L	87.7	Confident	86.4	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-71.1	-49.3	179.5	-66.2	171.9	0	0	0	111.6	K427 I429 V433 N434 D435 F522 T617 L618 Y621	K427-L431 WeakPolarHBondContact O-CB 3.38Å; K427-L431 WeakPolarHBondContact O-CG 3.4Å; K427-L431 PolarHBondContact O-N 2.58Å; I429-L431 PolarHBondContact O-N 2.97Å; L431-V433 PolarHBondContact O-N 3.37Å; L431-N434 PolarHBondContact O-N 3.36Å; L431-D435 PolarHBondContact O-N 3.46Å; L431-F522 HydrophobicContact CD2-CE1 3.86Å; L431-F522 HydrophobicContact CD2-CZ 3.95Å; L431-T617 HydrophobicContact CD1-CG2 4.43Å; L431-L618 HydrophobicContact CD1-CD2 4.44Å; L431-L618 HydrophobicContact CD2-CD2 3.42Å; L431-L618 VanDerWaalsContact CD2-CD2 3.42Å; L431-Y621 HydrophobicContact CB-CE1 4.44Å; L431-Y621 HydrophobicContact CD1-CD1 4.21Å; L431-Y621 HydrophobicContact CD1-CD2 4.05Å; L431-Y621 HydrophobicContact CD1-CE1 4.44Å; L431-Y621 HydrophobicContact CD1-CE2 4.28Å; L431-Y621 HydrophobicContact CD1-CG 3.99Å
432	T	87.7	Confident	86.2	Confident	15 Å²	15	34.1 Å²	34.1	9%	0.092	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-43.3	-178.7	-61.8	0	0	0	0	112.1	R354 F355 A428 F436	R354-T432 HydrophobicContact CB-CG2 4.27Å; F355-T432 PolarHBondContact N-OG1 3.19Å; A428-T432 VanDerWaalsContact O-CB 3.31Å; A428-T432 WeakPolarHBondContact O-CB 3.46Å; A428-T432 PolarHBondContact O-N 3.44Å; A428-T432 PolarHBondContact O-OG1 3.48Å; T432-F436 VanDerWaalsContact O-CB 3.25Å; T432-F436 WeakPolarHBondContact O-CB 3.48Å; T432-F436 PolarHBondContact O-N 3.12Å
433	V	89.2	Confident	85.4	Confident	32 Å²	32	39.1 Å²	39.1	19%	0.194	20%	0.196	C	C	.	.	H	α-helix	trans	-70.9	-41.8	179.3	173	0	0	0	0	111.5	I429 L431 D435 F436 V437	I429-V433 HydrophobicContact CG2-CG2 4.18Å; I429-V433 WeakPolarHBondContact O-CB 3.25Å; I429-V433 VanDerWaalsContact O-CG2 3.29Å; I429-V433 WeakPolarHBondContact O-CG2 3.11Å; I429-V433 PolarHBondContact O-N 3.45Å; L431-V433 PolarHBondContact O-N 3.37Å; V433-D435 VanDerWaalsContact C-N 3.33Å; V433-D435 PolarHBondContact O-N 3.08Å; V433-F436 PolarHBondContact O-N 2.9Å; V433-V437 HydrophobicContact CG1-CG2 4.23Å; V433-V437 VanDerWaalsContact O-CG2 3.3Å; V433-V437 WeakPolarHBondContact O-CG2 3.32Å; V433-V437 PolarHBondContact O-N 3.27Å
434	N	89.5	Confident	84.1	Confident	4 Å²	4	44 Å²	44	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-56	-50.9	175	171.8	76.6	0	0	0	110.7	K430 L431 F436 V437 R438 G456 F522	K430-N434 WeakPolarHBondContact O-CB 3.46Å; K430-N434 PolarHBondContact O-N 3.41Å; K430-N434 VanDerWaalsContact O-N 3.16Å; L431-N434 PolarHBondContact O-N 3.36Å; N434-F436 PolarHBondContact O-N 3.09Å; N434-V437 PolarHBondContact O-N 2.77Å; N434-R438 WeakPolarHBondContact ND2-CD 3.49Å; N434-R438 VanDerWaalsContact O-CG 3.29Å; N434-R438 WeakPolarHBondContact O-CG 3.48Å; N434-R438 PolarHBondContact O-N 3.35Å; N434-G456 PolarHBondContact OD1-N 3.1Å; N434-F522 HydrophobicContact CB-CD1 4.48Å; N434-F522 HydrophobicContact CB-CD2 4.26Å; N434-F522 HydrophobicContact CB-CE1 4.11Å; N434-F522 HydrophobicContact CB-CE2 3.83Å; N434-F522 HydrophobicContact CB-CZ 3.74Å; N434-F522 WeakPolarHBondContact ND2-CD1 3.31Å; N434-F522 WeakPolarHBondContact OD1-CG 3.43Å
435	D	83.6	Confident	82.9	Confident	20 Å²	20	45.4 Å²	45.4	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-43.9	-178	-65.7	-4.9	0	0	0	111	R354 L431 V433 V437 R438 D439 Y621	R354-D435 VanDerWaalsContact NH1-CB 3.25Å; L431-D435 PolarHBondContact O-N 3.46Å; V433-D435 VanDerWaalsContact C-N 3.33Å; V433-D435 PolarHBondContact O-N 3.08Å; D435-V437 VanDerWaalsContact C-N 3.32Å; D435-V437 PolarHBondContact O-N 3.2Å; D435-R438 PolarHBondContact O-N 3.31Å; D435-D439 VanDerWaalsContact O-CB 3.27Å; D435-D439 WeakPolarHBondContact O-CB 3.44Å; D435-D439 PolarHBondContact O-N 3.33Å; D435-Y621 PolarHBondContact OD2-OH 2.89Å
436	F	84.8	Confident	82	Confident	79 Å²	79	53.2 Å²	53.2	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-41	176.5	175.9	-101.3	0	0	0	113.4	T432 V433 N434 K440	T432-F436 VanDerWaalsContact O-CB 3.25Å; T432-F436 WeakPolarHBondContact O-CB 3.48Å; T432-F436 PolarHBondContact O-N 3.12Å; V433-F436 PolarHBondContact O-N 2.9Å; N434-F436 PolarHBondContact O-N 3.09Å; F436-K440 HydrophobicContact CE1-CD 4.1Å; F436-K440 HydrophobicContact CZ-CD 4.2Å; F436-K440 PolarHBondContact O-N 3.45Å
437	V	88.1	Confident	81.6	Confident	20 Å²	20	52.7 Å²	52.7	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-73.9	-41.4	178.6	178.8	0	0	0	0	110.7	V433 N434 D435 D439 K440 F441 A455	V433-V437 HydrophobicContact CG1-CG2 4.23Å; V433-V437 VanDerWaalsContact O-CG2 3.3Å; V433-V437 WeakPolarHBondContact O-CG2 3.32Å; V433-V437 PolarHBondContact O-N 3.27Å; N434-V437 PolarHBondContact O-N 2.77Å; D435-V437 VanDerWaalsContact C-N 3.32Å; D435-V437 PolarHBondContact O-N 3.2Å; V437-D439 VanDerWaalsContact C-N 3.28Å; V437-D439 PolarHBondContact O-N 2.97Å; V437-K440 PolarHBondContact O-N 2.82Å; V437-F441 HydrophobicContact CG1-CD2 3.79Å; V437-F441 HydrophobicContact CG1-CE2 3.72Å; V437-F441 VanDerWaalsContact O-CD2 3.26Å; V437-F441 WeakPolarHBondContact O-CD2 3.44Å; V437-F441 PolarHBondContact O-N 3.23Å; V437-A455 HydrophobicContact CB-CB 3.8Å; V437-A455 HydrophobicContact CG1-CB 3.69Å
438	R	84.8	Confident	81.5	Confident	23 Å²	23	54.9 Å²	54.9	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-43.5	174.3	-70.7	178.9	76.8	93.9	5.3	111.1	N434 D435 K440 F441 T442 I447 E452 A455	N434-R438 WeakPolarHBondContact ND2-CD 3.49Å; N434-R438 VanDerWaalsContact O-CG 3.29Å; N434-R438 WeakPolarHBondContact O-CG 3.48Å; N434-R438 PolarHBondContact O-N 3.35Å; D435-R438 PolarHBondContact O-N 3.31Å; R438-K440 VanDerWaalsContact C-N 3.29Å; R438-K440 PolarHBondContact O-N 2.9Å; R438-F441 PolarHBondContact O-N 3Å; R438-F441 VanDerWaalsContact O-N 3.16Å; R438-T442 WeakPolarHBondContact O-CB 3.41Å; R438-T442 PolarHBondContact O-N 3.33Å; R438-T442 PolarHBondContact O-OG1 3.27Å; R438-I447 HydrophobicContact CB-CD1 3.85Å; R438-I447 HydrophobicContact CG-CD1 3.85Å; R438-E452 IonicContact CZ-OE1 2.77Å; R438-E452 IonicContact NH1-OE1 2.66Å; R438-E452 IonicContact NH1-OE2 2.76Å; R438-E452 IonicContact NH2-OE1 2.82Å; R438-E452 PolarHBondContact NH2-OE1 2.9Å; R438-A455 HydrophobicContact CB-CB 4.46Å; R438-A455 HydrophobicContact CG-CB 3.48Å; R438-A455 VanDerWaalsContact CG-CB 3.48Å
439	D	78.6	Confident	81.5	Confident	34 Å²	34	61.3 Å²	61.3	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-41.6	179.1	-73.1	-18.8	0	0	0	111.9	R354 D435 V437 F441 T635	R354-D439 IonicContact CZ-OD2 2.91Å; R354-D439 VanDerWaalsContact CZ-OD2 3.31Å; R354-D439 IonicContact NH1-OD2 2.86Å; R354-D439 PolarHBondContact NH1-OD2 3.4Å; R354-D439 IonicContact NH2-OD2 2.78Å; R354-D439 PolarHBondContact NH2-OD2 3.46Å; D435-D439 VanDerWaalsContact O-CB 3.27Å; D435-D439 WeakPolarHBondContact O-CB 3.44Å; D435-D439 PolarHBondContact O-N 3.33Å; V437-D439 VanDerWaalsContact C-N 3.28Å; V437-D439 PolarHBondContact O-N 2.97Å; D439-F441 PolarHBondContact O-N 2.79Å; D439-T635 WeakPolarHBondContact CA-OG1 3.47Å; D439-T635 WeakPolarHBondContact CB-OG1 3.45Å; D439-T635 WeakPolarHBondContact OD1-CB 3.23Å; D439-T635 PolarHBondContact OD1-OG1 3.41Å; D439-T635 PolarHBondContact OD2-OG1 3.29Å
440	K	83.3	Confident	81.5	Confident	144 Å²	144	67 Å²	67	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-69.1	-29.7	178.4	-77.4	-173.3	170	-173.1	0	114.7	F436 V437 R438	F436-K440 HydrophobicContact CE1-CD 4.1Å; F436-K440 HydrophobicContact CZ-CD 4.2Å; F436-K440 PolarHBondContact O-N 3.45Å; V437-K440 PolarHBondContact O-N 2.82Å; R438-K440 VanDerWaalsContact C-N 3.29Å; R438-K440 PolarHBondContact O-N 2.9Å
441	F	83.7	Confident	81.5	Confident	75 Å²	75	66.7 Å²	66.7	33%	0.329	34%	0.343	S	S	.	.	H	α-helix	trans	-99.7	-1	-178.5	-70.4	-69.5	0	0	0	113.4	V437 R438 D439 N443 I447 W450 A451	V437-F441 HydrophobicContact CG1-CD2 3.79Å; V437-F441 HydrophobicContact CG1-CE2 3.72Å; V437-F441 VanDerWaalsContact O-CD2 3.26Å; V437-F441 WeakPolarHBondContact O-CD2 3.44Å; V437-F441 PolarHBondContact O-N 3.23Å; R438-F441 PolarHBondContact O-N 3Å; R438-F441 VanDerWaalsContact O-N 3.16Å; D439-F441 PolarHBondContact O-N 2.79Å; F441-N443 PolarHBondContact O-N 3.15Å; F441-I447 HydrophobicContact CB-CD1 4.37Å; F441-I447 HydrophobicContact CB-CG1 4.38Å; F441-W450 AromaticContact CD1-CH2 3.84Å; F441-W450 HydrophobicContact CD1-CH2 3.84Å; F441-W450 AromaticContact CE1-CH2 3.67Å; F441-W450 HydrophobicContact CE1-CH2 3.67Å; F441-W450 HydrophobicContact CE1-CZ3 4.25Å; F441-W450 HydrophobicContact CZ-CH2 4.3Å; F441-W450 HydrophobicContact CZ-CZ3 4.45Å; F441-A451 HydrophobicContact CB-CB 3.64Å; F441-A451 HydrophobicContact CD1-CB 4.4Å; F441-A451 HydrophobicContact CD2-CB 4.23Å; F441-A451 HydrophobicContact CG-CB 3.86Å
442	T	78.3	Confident	81.6	Confident	39 Å²	39	66.9 Å²	66.9	24%	0.239	34%	0.344	C	S	.	.			trans	-81.6	111.6	177.2	-62.4	0	0	0	0	109.5	R438	R438-T442 WeakPolarHBondContact O-CB 3.41Å; R438-T442 PolarHBondContact O-N 3.33Å; R438-T442 PolarHBondContact O-OG1 3.27Å
443	N	66.8	Low	81.9	Confident	127 Å²	127	68.4 Å²	68.4	68%	0.679	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-112	127.8	173.9	-75.6	-32.7	0	0	0	109	F441 A445 R446	F441-N443 PolarHBondContact O-N 3.15Å; N443-A445 VanDerWaalsContact C-N 3.27Å; N443-A445 PolarHBondContact O-N 2.99Å; N443-R446 PolarHBondContact N-O 2.87Å; N443-R446 PolarHBondContact O-N 3.32Å; N443-R446 VanDerWaalsContact O-O 3.06Å
444	A	58.5	Low	82.1	Confident	106 Å²	106	69.9 Å²	69.9	88%	0.876	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	47.7	178.9	0	0	0	0	0	113.7	R446	A444-R446 PolarHBondContact O-N 2.89Å
445	A	63.9	Low	82.2	Confident	99 Å²	99	69.7 Å²	69.7	82%	0.818	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	9.2	-179.8	0	0	0	0	0	116.8	N443	N443-A445 VanDerWaalsContact C-N 3.27Å; N443-A445 PolarHBondContact O-N 2.99Å
446	R	68.5	Low	82.6	Confident	212 Å²	212	68.7 Å²	68.7	80%	0.8	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-118.6	138.8	172.7	-66.9	-175.8	-179.9	175.3	0.5	110.8	N443 A444	N443-R446 PolarHBondContact N-O 2.87Å; N443-R446 PolarHBondContact O-N 3.32Å; N443-R446 VanDerWaalsContact O-O 3.06Å; A444-R446 PolarHBondContact O-N 2.89Å
447	I	78.7	Confident	83.1	Confident	31 Å²	31	65.4 Å²	65.4	16%	0.159	34%	0.344	C	S	.	.			trans	-115.6	131.3	172	-175.1	168.8	0	0	0	107.9	R438 F441 A451 E452	R438-I447 HydrophobicContact CB-CD1 3.85Å; R438-I447 HydrophobicContact CG-CD1 3.85Å; F441-I447 HydrophobicContact CB-CD1 4.37Å; F441-I447 HydrophobicContact CB-CG1 4.38Å; I447-A451 HydrophobicContact CD1-CB 4.15Å; I447-A451 HydrophobicContact CG1-CB 3.81Å; I447-E452 HydrophobicContact CB-CG 4.49Å; I447-E452 HydrophobicContact CD1-CG 4.09Å; I447-E452 HydrophobicContact CG1-CG 4.06Å; I447-E452 HydrophobicContact CG2-CG 3.7Å; I447-E452 WeakPolarHBondContact CG2-OE1 3.4Å
448	P	86.6	Confident	83.3	Confident	56 Å²	56	66.4 Å²	66.4	36%	0.364	35%	0.352	S	S	.	.			trans	-70.3	145.8	175.6	28.3	-33.4	0	0	0	110.5	W450 A451 E452	P448-W450 VanDerWaalsContact C-N 3.28Å; P448-W450 HydrophobicContact CG-CZ2 4.11Å; P448-W450 PolarHBondContact O-N 3.32Å; P448-W450 VanDerWaalsContact O-N 3.16Å; P448-A451 HydrophobicContact CG-CB 3.78Å; P448-A451 WeakPolarHBondContact O-CA 3.29Å; P448-A451 WeakPolarHBondContact O-CB 3.4Å; P448-A451 PolarHBondContact O-N 2.82Å; P448-E452 PolarHBondContact O-N 3.16Å
449	F	87.9	Confident	83.6	Confident	134 Å²	134	65.3 Å²	65.3	59%	0.588	35%	0.348	S	S	*	.	H	α-helix	trans	-52.1	-42.3	-175.7	176.9	-106.7	0	0	0	113.7	A451 E452 V453 P523 H527	F449-A451 VanDerWaalsContact C-N 3.25Å; F449-A451 PolarHBondContact O-N 3.38Å; F449-E452 WeakPolarHBondContact O-CB 3.22Å; F449-E452 PolarHBondContact O-N 3.2Å; F449-E452 VanDerWaalsContact O-N 3.1Å; F449-V453 HydrophobicContact CD1-CG2 4.41Å; F449-V453 HydrophobicContact CE1-CG2 3.96Å; F449-V453 HydrophobicContact CE2-CG2 4.32Å; F449-V453 HydrophobicContact CZ-CG2 3.91Å; F449-V453 WeakPolarHBondContact O-CG2 3.46Å; F449-V453 PolarHBondContact O-N 3.25Å; F449-V453 VanDerWaalsContact O-N 3.15Å; F449-P523 HydrophobicContact CE2-CB 4.02Å; F449-H527 AromaticContact CD2-NE2 3.94Å
450	W	91	Very high	84.3	Confident	144 Å²	144	63.7 Å²	63.7	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-35.4	177.7	70.9	-98.9	0	0	0	112.4	F441 P448 E452 V453 V454	F441-W450 AromaticContact CD1-CH2 3.84Å; F441-W450 HydrophobicContact CD1-CH2 3.84Å; F441-W450 AromaticContact CE1-CH2 3.67Å; F441-W450 HydrophobicContact CE1-CH2 3.67Å; F441-W450 HydrophobicContact CE1-CZ3 4.25Å; F441-W450 HydrophobicContact CZ-CH2 4.3Å; F441-W450 HydrophobicContact CZ-CZ3 4.45Å; P448-W450 VanDerWaalsContact C-N 3.28Å; P448-W450 HydrophobicContact CG-CZ2 4.11Å; P448-W450 PolarHBondContact O-N 3.32Å; P448-W450 VanDerWaalsContact O-N 3.16Å; W450-E452 VanDerWaalsContact C-N 3.33Å; W450-V453 PolarHBondContact O-N 3.38Å; W450-V454 HydrophobicContact CE3-CG2 4.01Å; W450-V454 HydrophobicContact CZ3-CG2 4.32Å; W450-V454 VanDerWaalsContact O-CG2 3.32Å; W450-V454 WeakPolarHBondContact O-CG2 3.34Å; W450-V454 PolarHBondContact O-N 3.36Å
451	A	89.7	Confident	84.7	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-73.4	-29	179	0	0	0	0	0	111.5	F441 I447 P448 F449 A455	F441-A451 HydrophobicContact CB-CB 3.64Å; F441-A451 HydrophobicContact CD1-CB 4.4Å; F441-A451 HydrophobicContact CD2-CB 4.23Å; F441-A451 HydrophobicContact CG-CB 3.86Å; I447-A451 HydrophobicContact CD1-CB 4.15Å; I447-A451 HydrophobicContact CG1-CB 3.81Å; P448-A451 HydrophobicContact CG-CB 3.78Å; P448-A451 WeakPolarHBondContact O-CA 3.29Å; P448-A451 WeakPolarHBondContact O-CB 3.4Å; P448-A451 PolarHBondContact O-N 2.82Å; F449-A451 VanDerWaalsContact C-N 3.25Å; F449-A451 PolarHBondContact O-N 3.38Å; A451-A455 VanDerWaalsContact O-CB 3.29Å; A451-A455 WeakPolarHBondContact O-CB 3.4Å; A451-A455 PolarHBondContact O-N 3.06Å
452	E	89.9	Confident	85.1	Confident	11 Å²	11	56.1 Å²	56.1	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-64.8	-43.9	170.7	-53.8	-159.3	145	0	0	112	R438 I447 P448 F449 W450 A455 G456 P523 H527	R438-E452 IonicContact CZ-OE1 2.77Å; R438-E452 IonicContact NH1-OE1 2.66Å; R438-E452 IonicContact NH1-OE2 2.76Å; R438-E452 IonicContact NH2-OE1 2.82Å; R438-E452 PolarHBondContact NH2-OE1 2.9Å; I447-E452 HydrophobicContact CB-CG 4.49Å; I447-E452 HydrophobicContact CD1-CG 4.09Å; I447-E452 HydrophobicContact CG1-CG 4.06Å; I447-E452 HydrophobicContact CG2-CG 3.7Å; I447-E452 WeakPolarHBondContact CG2-OE1 3.4Å; P448-E452 PolarHBondContact O-N 3.16Å; F449-E452 WeakPolarHBondContact O-CB 3.22Å; F449-E452 PolarHBondContact O-N 3.2Å; F449-E452 VanDerWaalsContact O-N 3.1Å; W450-E452 VanDerWaalsContact C-N 3.33Å; E452-A455 PolarHBondContact O-N 3.45Å; E452-G456 PolarHBondContact O-N 3.4Å; E452-P523 HydrophobicContact CB-CB 4.12Å; E452-P523 HydrophobicContact CB-CG 3.83Å; E452-P523 WeakPolarHBondContact OE2-CA 3.23Å; E452-P523 WeakPolarHBondContact OE2-CB 3.45Å; E452-H527 IonicContact OE2-CD2 2.73Å; E452-H527 IonicContact OE2-NE2 3.18Å
453	V	93.8	Very high	85.8	Confident	47 Å²	47	54.4 Å²	54.4	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-44.5	177.2	177.1	0	0	0	0	110.1	F449 W450 G456 G457 A519 P523	F449-V453 HydrophobicContact CD1-CG2 4.41Å; F449-V453 HydrophobicContact CE1-CG2 3.96Å; F449-V453 HydrophobicContact CE2-CG2 4.32Å; F449-V453 HydrophobicContact CZ-CG2 3.91Å; F449-V453 WeakPolarHBondContact O-CG2 3.46Å; F449-V453 PolarHBondContact O-N 3.25Å; F449-V453 VanDerWaalsContact O-N 3.15Å; W450-V453 PolarHBondContact O-N 3.38Å; V453-G456 PolarHBondContact O-N 3.41Å; V453-G457 PolarHBondContact O-N 2.89Å; V453-A519 HydrophobicContact CG1-CB 3.95Å; V453-P523 HydrophobicContact CG2-CG 3.98Å
454	V	94.5	Very high	86.8	Confident	62 Å²	62	48.4 Å²	48.4	38%	0.376	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-45.9	175.9	169.7	0	0	0	0	110.9	W450 G456 G457 S458	W450-V454 HydrophobicContact CE3-CG2 4.01Å; W450-V454 HydrophobicContact CZ3-CG2 4.32Å; W450-V454 VanDerWaalsContact O-CG2 3.32Å; W450-V454 WeakPolarHBondContact O-CG2 3.34Å; W450-V454 PolarHBondContact O-N 3.36Å; V454-G456 PolarHBondContact O-N 2.93Å; V454-G457 PolarHBondContact O-N 3.3Å; V454-S458 WeakPolarHBondContact O-CB 3.46Å; V454-S458 PolarHBondContact O-N 3.49Å; V454-S458 PolarHBondContact O-OG 2.89Å
455	A	91.8	Very high	88.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-44.8	178.1	0	0	0	0	0	112.4	V437 R438 A451 E452 S458 G459	V437-A455 HydrophobicContact CB-CB 3.8Å; V437-A455 HydrophobicContact CG1-CB 3.69Å; R438-A455 HydrophobicContact CB-CB 4.46Å; R438-A455 HydrophobicContact CG-CB 3.48Å; R438-A455 VanDerWaalsContact CG-CB 3.48Å; A451-A455 VanDerWaalsContact O-CB 3.29Å; A451-A455 WeakPolarHBondContact O-CB 3.4Å; A451-A455 PolarHBondContact O-N 3.06Å; E452-A455 PolarHBondContact O-N 3.45Å; A455-S458 PolarHBondContact O-N 3.31Å; A455-G459 PolarHBondContact O-N 3.3Å
456	G	92.2	Very high	89.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-45.5	175.9	0	0	0	0	0	112.2	N434 E452 V453 V454 G459 G460 S518	N434-G456 PolarHBondContact OD1-N 3.1Å; E452-G456 PolarHBondContact O-N 3.4Å; V453-G456 PolarHBondContact O-N 3.41Å; V454-G456 PolarHBondContact O-N 2.93Å; G456-G459 PolarHBondContact O-N 2.62Å; G456-G460 PolarHBondContact O-N 3.19Å; G456-S518 WeakPolarHBondContact O-CB 3.32Å
457	G	94.1	Very high	90.2	Very high	10 Å²	10	39.8 Å²	39.8	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-42.9	176.7	0	0	0	0	0	113	V453 V454 G460 A461	V453-G457 PolarHBondContact O-N 2.89Å; V454-G457 PolarHBondContact O-N 3.3Å; G457-G460 PolarHBondContact O-N 3.27Å; G457-A461 WeakPolarHBondContact O-CB 3.47Å; G457-A461 PolarHBondContact O-N 3.39Å
458	S	93.9	Very high	90.5	Very high	41 Å²	41	38.6 Å²	38.6	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-43.1	173.8	-65.4	0	0	0	0	111.6	V454 A455 G460 A461 S462	V454-S458 WeakPolarHBondContact O-CB 3.46Å; V454-S458 PolarHBondContact O-N 3.49Å; V454-S458 PolarHBondContact O-OG 2.89Å; A455-S458 PolarHBondContact O-N 3.31Å; S458-G460 VanDerWaalsContact C-N 3.34Å; S458-G460 PolarHBondContact O-N 3.16Å; S458-A461 PolarHBondContact O-N 3.39Å; S458-S462 WeakPolarHBondContact O-CB 3.39Å; S458-S462 PolarHBondContact O-N 2.91Å; S458-S462 PolarHBondContact O-OG 3.28Å; S458-S462 VanDerWaalsContact O-OG 3.13Å
459	G	91	Very high	90.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-44.9	174.2	0	0	0	0	0	112.7	A455 G456 Q463	A455-G459 PolarHBondContact O-N 3.3Å; G456-G459 PolarHBondContact O-N 2.62Å; G459-Q463 VanDerWaalsContact O-CB 3.31Å; G459-Q463 WeakPolarHBondContact O-CB 3.37Å; G459-Q463 PolarHBondContact O-N 2.71Å; G459-Q463 VanDerWaalsContact O-N 3.08Å
460	G	91.6	Very high	90.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175	0	0	0	0	0	113.4	G456 G457 S458 V464	G456-G460 PolarHBondContact O-N 3.19Å; G457-G460 PolarHBondContact O-N 3.27Å; S458-G460 VanDerWaalsContact C-N 3.34Å; S458-G460 PolarHBondContact O-N 3.16Å; G460-V464 WeakPolarHBondContact O-CG2 3.16Å; G460-V464 PolarHBondContact O-N 3.26Å
461	A	93.5	Very high	89.5	Confident	25 Å²	25	30.7 Å²	30.7	21%	0.207	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-48.4	178.7	0	0	0	0	0	112.1	G457 S458 Q463 V464 M465 F511 I515	G457-A461 WeakPolarHBondContact O-CB 3.47Å; G457-A461 PolarHBondContact O-N 3.39Å; S458-A461 PolarHBondContact O-N 3.39Å; A461-Q463 VanDerWaalsContact C-N 3.31Å; A461-Q463 PolarHBondContact O-N 2.98Å; A461-V464 PolarHBondContact O-N 3.48Å; A461-M465 WeakPolarHBondContact O-CG 3.35Å; A461-M465 PolarHBondContact O-N 3Å; A461-F511 HydrophobicContact CB-CD1 4.34Å; A461-F511 HydrophobicContact CB-CE1 4.16Å; A461-F511 WeakPolarHBondContact O-CE1 3.4Å; A461-I515 HydrophobicContact CB-CD1 3.92Å; A461-I515 HydrophobicContact CB-CG1 3.93Å
462	S	92	Very high	89	Confident	35 Å²	35	31.6 Å²	31.6	25%	0.245	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-40.4	179.2	-64.6	0	0	0	0	111.5	S458 V464 M465 F466	S458-S462 WeakPolarHBondContact O-CB 3.39Å; S458-S462 PolarHBondContact O-N 2.91Å; S458-S462 PolarHBondContact O-OG 3.28Å; S458-S462 VanDerWaalsContact O-OG 3.13Å; S462-V464 PolarHBondContact O-N 3.06Å; S462-M465 WeakPolarHBondContact O-CB 3.25Å; S462-M465 PolarHBondContact O-N 2.88Å; S462-F466 WeakPolarHBondContact O-CD2 3.37Å; S462-F466 PolarHBondContact O-N 2.96Å
463	Q	91.1	Very high	88.4	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-55	-54.6	172.7	173.5	-128	-59.5	0	0	111.1	E426 I429 K430 G459 A461 M465 F466 T467 D514	E426-Q463 HydrophobicContact CB-CG 4.14Å; E426-Q463 HydrophobicContact CG-CG 3.38Å; E426-Q463 WeakPolarHBondContact O-CG 3.5Å; I429-Q463 HydrophobicContact CG2-CB 4.43Å; K430-Q463 HydrophobicContact CB-CB 4.2Å; G459-Q463 VanDerWaalsContact O-CB 3.31Å; G459-Q463 WeakPolarHBondContact O-CB 3.37Å; G459-Q463 PolarHBondContact O-N 2.71Å; G459-Q463 VanDerWaalsContact O-N 3.08Å; A461-Q463 VanDerWaalsContact C-N 3.31Å; A461-Q463 PolarHBondContact O-N 2.98Å; Q463-M465 VanDerWaalsContact C-N 3.31Å; Q463-M465 PolarHBondContact O-N 3.22Å; Q463-F466 PolarHBondContact O-N 2.93Å; Q463-F466 VanDerWaalsContact O-N 3.16Å; Q463-T467 HydrophobicContact CG-CG2 4.16Å; Q463-T467 WeakPolarHBondContact O-CB 2.98Å; Q463-T467 WeakPolarHBondContact O-CG2 3.43Å; Q463-T467 PolarHBondContact O-N 3.26Å; Q463-T467 PolarHBondContact O-OG1 3.21Å; Q463-D514 PolarHBondContact NE2-OD2 3.31Å
464	V	88.5	Confident	87.7	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-40.8	-179.7	174.3	0	0	0	0	112.1	G460 A461 S462 F466 T467 N468 C510 F511 D514	G460-V464 WeakPolarHBondContact O-CG2 3.16Å; G460-V464 PolarHBondContact O-N 3.26Å; A461-V464 PolarHBondContact O-N 3.48Å; S462-V464 PolarHBondContact O-N 3.06Å; V464-F466 PolarHBondContact O-N 3.25Å; V464-T467 PolarHBondContact O-N 3.12Å; V464-N468 HydrophobicContact CG1-CB 4.36Å; V464-N468 WeakPolarHBondContact O-CB 3.19Å; V464-N468 PolarHBondContact O-N 3.27Å; V464-C510 HydrophobicContact CB-CB 4.47Å; V464-C510 HydrophobicContact CG1-CB 3.55Å; V464-C510 HydrophobicContact CG2-CB 4Å; V464-F511 HydrophobicContact CB-CD1 3.94Å; V464-F511 HydrophobicContact CB-CE1 3.66Å; V464-F511 HydrophobicContact CB-CZ 4.03Å; V464-F511 HydrophobicContact CG1-CD1 3.9Å; V464-F511 HydrophobicContact CG1-CD2 4.12Å; V464-F511 HydrophobicContact CG1-CE1 3.69Å; V464-F511 HydrophobicContact CG1-CE2 3.88Å; V464-F511 HydrophobicContact CG1-CG 4.08Å; V464-F511 HydrophobicContact CG1-CZ 3.61Å; V464-F511 HydrophobicContact CG2-CD1 4.43Å; V464-D514 HydrophobicContact CG2-CB 3.63Å; V464-D514 WeakPolarHBondContact CG2-OD2 3.47Å
465	M	89.4	Confident	86.7	Confident	85 Å²	85	33.2 Å²	33.2	42%	0.419	18%	0.181	S	C	.	.	H	α-helix	trans	-54.3	-38.4	177.8	-80.6	-88.9	114.9	0	0	112.8	A461 S462 Q463 Y504 F511	A461-M465 WeakPolarHBondContact O-CG 3.35Å; A461-M465 PolarHBondContact O-N 3Å; S462-M465 WeakPolarHBondContact O-CB 3.25Å; S462-M465 PolarHBondContact O-N 2.88Å; Q463-M465 VanDerWaalsContact C-N 3.31Å; Q463-M465 PolarHBondContact O-N 3.22Å; M465-Y504 HydrophobicContact CE-CE1 4.27Å; M465-Y504 WeakPolarHBondContact O-CE1 3.24Å; M465-Y504 PolarHBondContact O-OH 3.06Å; M465-F511 HydrophobicContact CE-CE1 4.36Å; M465-F511 HydrophobicContact CE-CE2 3.78Å; M465-F511 HydrophobicContact CE-CZ 3.3Å; M465-F511 HydrophobicContact CG-CE1 4.19Å; M465-F511 HydrophobicContact CG-CZ 3.88Å; M465-F511 HydrophobicContact SD-CZ 4.37Å
466	F	86.7	Confident	86	Confident	138 Å²	138	38.4 Å²	38.4	61%	0.605	20%	0.201	S	C	*	.	H	α-helix	trans	-96.6	-31.2	-177.7	-68.8	-68.9	0	0	0	113.9	I429 S462 Q463 V464	I429-F466 HydrophobicContact CD1-CB 3.52Å; I429-F466 HydrophobicContact CD1-CD2 4.03Å; I429-F466 HydrophobicContact CD1-CG 4.01Å; I429-F466 HydrophobicContact CG2-CD2 4.19Å; S462-F466 WeakPolarHBondContact O-CD2 3.37Å; S462-F466 PolarHBondContact O-N 2.96Å; Q463-F466 PolarHBondContact O-N 2.93Å; Q463-F466 VanDerWaalsContact O-N 3.16Å; V464-F466 PolarHBondContact O-N 3.25Å
467	T	86.1	Confident	85	Confident	14 Å²	14	41.2 Å²	41.2	9%	0.086	21%	0.214	C	C	.	.	H	α-helix	trans	-87	-24	-178	63.4	0	0	0	0	113.4	E426 Q463 V464 V470 E471	E426-T467 HydrophobicContact CB-CG2 4.05Å; E426-T467 HydrophobicContact CG-CG2 4.49Å; Q463-T467 HydrophobicContact CG-CG2 4.16Å; Q463-T467 WeakPolarHBondContact O-CB 2.98Å; Q463-T467 WeakPolarHBondContact O-CG2 3.43Å; Q463-T467 PolarHBondContact O-N 3.26Å; Q463-T467 PolarHBondContact O-OG1 3.21Å; V464-T467 PolarHBondContact O-N 3.12Å; T467-V470 WeakPolarHBondContact O-CB 2.9Å; T467-V470 PolarHBondContact O-N 3.34Å; T467-V470 VanDerWaalsContact O-N 3.08Å; T467-E471 WeakPolarHBondContact O-CB 3.46Å; T467-E471 PolarHBondContact O-N 3.13Å
468	N	84.5	Confident	83.8	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-42.4	-177.2	-167	91.7	0	0	0	113.4	V464 V470 E471 I472 L503 Y504 A507	V464-N468 HydrophobicContact CG1-CB 4.36Å; V464-N468 WeakPolarHBondContact O-CB 3.19Å; V464-N468 PolarHBondContact O-N 3.27Å; N468-V470 VanDerWaalsContact C-N 3.3Å; N468-V470 PolarHBondContact O-N 3.02Å; N468-E471 PolarHBondContact O-N 3.31Å; N468-I472 WeakPolarHBondContact O-CG2 3.26Å; N468-I472 PolarHBondContact O-N 2.82Å; N468-L503 PolarHBondContact ND2-O 2.79Å; N468-Y504 WeakPolarHBondContact ND2-CA 2.78Å; N468-A507 WeakPolarHBondContact OD1-CA 3.38Å
469	P	84.2	Confident	82.5	Confident	27 Å²	27	47.8 Å²	47.8	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-40.4	173.3	-27	36.9	0	0	0	113.2	I472 V473 L503 Y504	P469-I472 VanDerWaalsContact O-CG2 3.32Å; P469-I472 WeakPolarHBondContact O-CG2 3.49Å; P469-V473 WeakPolarHBondContact O-CB 3.5Å; P469-V473 WeakPolarHBondContact O-CG2 3.49Å; P469-V473 PolarHBondContact O-N 3.27Å; P469-V473 VanDerWaalsContact O-N 3.15Å; P469-L503 HydrophobicContact CB-CB 4.24Å; P469-L503 HydrophobicContact CB-CD1 4.48Å; P469-L503 HydrophobicContact CB-CD2 4.22Å; P469-L503 HydrophobicContact CG-CB 4.43Å; P469-Y504 HydrophobicContact CG-CE1 4.41Å; P469-Y504 HydrophobicContact CG-CE2 4.42Å
470	V	82.3	Confident	81.3	Confident	83 Å²	83	49.1 Å²	49.1	50%	0.503	25%	0.25	S	S	.	.	H	α-helix	trans	-68.6	-42.1	177.1	-179	0	0	0	0	110.5	T467 N468 K474	T467-V470 WeakPolarHBondContact O-CB 2.9Å; T467-V470 PolarHBondContact O-N 3.34Å; T467-V470 VanDerWaalsContact O-N 3.08Å; N468-V470 VanDerWaalsContact C-N 3.3Å; N468-V470 PolarHBondContact O-N 3.02Å; V470-K474 VanDerWaalsContact O-CB 3.23Å; V470-K474 WeakPolarHBondContact O-CB 3.31Å; V470-K474 PolarHBondContact O-N 3.15Å
471	E	78.1	Confident	79.8	Confident	59 Å²	59	50.8 Å²	50.8	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-46	179.9	-171.1	172.4	-172	0	0	111.6	T467 N468 K474 I475	T467-E471 WeakPolarHBondContact O-CB 3.46Å; T467-E471 PolarHBondContact O-N 3.13Å; N468-E471 PolarHBondContact O-N 3.31Å; E471-K474 WeakPolarHBondContact O-CB 3.08Å; E471-K474 PolarHBondContact O-N 3.4Å; E471-I475 HydrophobicContact CG-CD1 4.05Å; E471-I475 VanDerWaalsContact O-CG1 3.25Å; E471-I475 WeakPolarHBondContact O-CG1 3.49Å; E471-I475 PolarHBondContact O-N 2.9Å
472	I	79.8	Confident	78.2	Confident	19 Å²	19	57.4 Å²	57.4	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-69.9	-37.5	179.3	-167.9	153.3	0	0	0	112.6	N468 P469 K474 I475 R476 L498 G502 L503 K505	N468-I472 WeakPolarHBondContact O-CG2 3.26Å; N468-I472 PolarHBondContact O-N 2.82Å; P469-I472 VanDerWaalsContact O-CG2 3.32Å; P469-I472 WeakPolarHBondContact O-CG2 3.49Å; I472-K474 VanDerWaalsContact C-N 3.35Å; I472-I475 PolarHBondContact O-N 3.12Å; I472-R476 HydrophobicContact CG1-CG 4.48Å; I472-R476 WeakPolarHBondContact O-CB 3.24Å; I472-R476 VanDerWaalsContact O-CG 3.25Å; I472-R476 WeakPolarHBondContact O-CG 3.5Å; I472-R476 PolarHBondContact O-N 3.29Å; I472-L498 HydrophobicContact CD1-CD2 4.5Å; I472-L498 HydrophobicContact CG1-CD1 4.21Å; I472-L498 HydrophobicContact CG1-CD2 4.5Å; I472-L498 HydrophobicContact CG2-CD1 4.12Å; I472-G502 WeakPolarHBondContact CD1-O 3.38Å; I472-L503 HydrophobicContact CG2-CD2 3.93Å; I472-L503 WeakPolarHBondContact CG2-O 3.46Å; I472-K505 HydrophobicContact CD1-CB 3.94Å; I472-K505 WeakPolarHBondContact CD1-O 3.23Å
473	V	78.4	Confident	76.5	Confident	15 Å²	15	63.5 Å²	63.5	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-44.5	173.5	170.9	0	0	0	0	109.7	P469 I475 R476 M477 L491 V494 L498 L503	P469-V473 WeakPolarHBondContact O-CB 3.5Å; P469-V473 WeakPolarHBondContact O-CG2 3.49Å; P469-V473 PolarHBondContact O-N 3.27Å; P469-V473 VanDerWaalsContact O-N 3.15Å; V473-I475 PolarHBondContact O-N 2.88Å; V473-R476 PolarHBondContact O-N 3.38Å; V473-M477 HydrophobicContact CG1-CG 4.41Å; V473-M477 HydrophobicContact CG1-SD 4.2Å; V473-M477 WeakPolarHBondContact O-CB 3.12Å; V473-M477 WeakPolarHBondContact O-CG 3.12Å; V473-M477 PolarHBondContact O-N 3.17Å; V473-L491 HydrophobicContact CG1-CD2 3.7Å; V473-V494 HydrophobicContact CG1-CG1 4.43Å; V473-L498 HydrophobicContact CG2-CD1 4.26Å; V473-L503 HydrophobicContact CG2-CD2 3.77Å
474	K	78.1	Confident	75.3	Confident	61 Å²	61	69.1 Å²	69.1	27%	0.265	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-49	174.6	177.5	176.3	174.6	175.7	0	111.7	P418 V470 E471 I472 R476 M477 Q478	P418-K474 PolarHBondContact O-NZ 3.36Å; V470-K474 VanDerWaalsContact O-CB 3.23Å; V470-K474 WeakPolarHBondContact O-CB 3.31Å; V470-K474 PolarHBondContact O-N 3.15Å; E471-K474 WeakPolarHBondContact O-CB 3.08Å; E471-K474 PolarHBondContact O-N 3.4Å; I472-K474 VanDerWaalsContact C-N 3.35Å; K474-R476 PolarHBondContact O-N 2.83Å; K474-M477 PolarHBondContact O-N 2.82Å; K474-Q478 WeakPolarHBondContact O-CB 3.36Å; K474-Q478 VanDerWaalsContact O-CG 3.25Å; K474-Q478 WeakPolarHBondContact O-CG 3.48Å; K474-Q478 PolarHBondContact O-N 3.01Å
475	I	74.4	Confident	73.9	Confident	77 Å²	77	73.9 Å²	73.9	40%	0.395	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-44.1	178.2	-68.8	164	0	0	0	110.9	E471 I472 V473 Q478 M479	E471-I475 HydrophobicContact CG-CD1 4.05Å; E471-I475 VanDerWaalsContact O-CG1 3.25Å; E471-I475 WeakPolarHBondContact O-CG1 3.49Å; E471-I475 PolarHBondContact O-N 2.9Å; I472-I475 PolarHBondContact O-N 3.12Å; V473-I475 PolarHBondContact O-N 2.88Å; I475-Q478 PolarHBondContact O-N 3.06Å; I475-M479 HydrophobicContact CG2-CE 4.17Å; I475-M479 HydrophobicContact CG2-SD 4.39Å; I475-M479 WeakPolarHBondContact O-CG 3.13Å; I475-M479 PolarHBondContact O-N 3.11Å
476	R	75.5	Confident	72.8	Confident	110 Å²	110	77.8 Å²	77.8	42%	0.415	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-41.7	178.8	-73.6	-66.9	-171.6	165.3	8.2	112.6	I472 V473 K474 A480 V494 L498	I472-R476 HydrophobicContact CG1-CG 4.48Å; I472-R476 WeakPolarHBondContact O-CB 3.24Å; I472-R476 VanDerWaalsContact O-CG 3.25Å; I472-R476 WeakPolarHBondContact O-CG 3.5Å; I472-R476 PolarHBondContact O-N 3.29Å; V473-R476 PolarHBondContact O-N 3.38Å; K474-R476 PolarHBondContact O-N 2.83Å; R476-A480 VanDerWaalsContact O-CB 3.3Å; R476-A480 WeakPolarHBondContact O-CB 3.31Å; R476-A480 PolarHBondContact O-N 3.39Å; R476-V494 HydrophobicContact CB-CG1 3.67Å; R476-V494 HydrophobicContact CG-CG1 4.29Å; R476-L498 HydrophobicContact CG-CD1 4.19Å; R476-L498 HydrophobicContact CG-CD2 4.27Å
477	M	71.9	Confident	71.6	Confident	58 Å²	58	73.9 Å²	73.9	29%	0.286	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175.1	-72.7	-175.7	78.7	0	0	112	V473 K474 A480 G481 L491	V473-M477 HydrophobicContact CG1-CG 4.41Å; V473-M477 HydrophobicContact CG1-SD 4.2Å; V473-M477 WeakPolarHBondContact O-CB 3.12Å; V473-M477 WeakPolarHBondContact O-CG 3.12Å; V473-M477 PolarHBondContact O-N 3.17Å; K474-M477 PolarHBondContact O-N 2.82Å; M477-A480 PolarHBondContact O-N 3.09Å; M477-G481 PolarHBondContact O-N 3.11Å; M477-L491 HydrophobicContact CE-CD2 4.06Å; M477-L491 HydrophobicContact CE-CG 4.14Å; M477-L491 HydrophobicContact SD-CD2 3.23Å; M477-L491 WeakPolarHBondContact SD-CD2 3.37Å; M477-L491 HydrophobicContact SD-CG 3.96Å
478	Q	69.5	Low	70.4	Confident	107 Å²	107	82.4 Å²	82.4	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-46.2	176.9	-75	176.1	-15.9	0	0	111.5	K474 I475 G481 E482	K474-Q478 WeakPolarHBondContact O-CB 3.36Å; K474-Q478 VanDerWaalsContact O-CG 3.25Å; K474-Q478 WeakPolarHBondContact O-CG 3.48Å; K474-Q478 PolarHBondContact O-N 3.01Å; I475-Q478 PolarHBondContact O-N 3.06Å; Q478-G481 PolarHBondContact O-N 2.7Å; Q478-E482 PolarHBondContact O-N 3.25Å
479	M	66.8	Low	69.4	Low	82 Å²	82	83.9 Å²	83.9	40%	0.404	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-37.3	176.6	-69.3	-169.2	-53.3	0	0	113	I475 E482 M483	I475-M479 HydrophobicContact CG2-CE 4.17Å; I475-M479 HydrophobicContact CG2-SD 4.39Å; I475-M479 WeakPolarHBondContact O-CG 3.13Å; I475-M479 PolarHBondContact O-N 3.11Å; M479-E482 PolarHBondContact O-N 3.1Å; M479-M483 PolarHBondContact O-N 3.12Å
480	A	65.4	Low	69	Low	29 Å²	29	85.1 Å²	85.1	24%	0.24	45%	0.446	C	S	.	.	H	α-helix	trans	-66.1	-40.1	177.7	0	0	0	0	0	112	R476 M477 E482 M483 Q484 P489	R476-A480 VanDerWaalsContact O-CB 3.3Å; R476-A480 WeakPolarHBondContact O-CB 3.31Å; R476-A480 PolarHBondContact O-N 3.39Å; M477-A480 PolarHBondContact O-N 3.09Å; A480-E482 VanDerWaalsContact C-N 3.29Å; A480-E482 PolarHBondContact O-N 3.49Å; A480-M483 PolarHBondContact O-N 2.95Å; A480-Q484 PolarHBondContact O-N 2.84Å; A480-P489 HydrophobicContact CB-CB 4.48Å; A480-P489 HydrophobicContact CB-CG 3.66Å
481	G	59.1	Low	68.7	Low	35 Å²	35	85.9 Å²	85.9	36%	0.361	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-29.2	174.3	0	0	0	0	0	113.7	M477 Q478 Q484 P485	M477-G481 PolarHBondContact O-N 3.11Å; Q478-G481 PolarHBondContact O-N 2.7Å; G481-Q484 CarbonylContact O-C 3.59Å; G481-P485 WeakPolarHBondContact O-CA 3.28Å
482	E	60.6	Low	68.8	Low	163 Å²	163	86.6 Å²	86.6	76%	0.762	46%	0.455	S	S	*	.	H	α-helix	trans	-71.3	-35	172.1	-72.8	-178	175.4	0	0	112.8	Q478 M479 A480	Q478-E482 PolarHBondContact O-N 3.25Å; M479-E482 PolarHBondContact O-N 3.1Å; A480-E482 VanDerWaalsContact C-N 3.29Å; A480-E482 PolarHBondContact O-N 3.49Å
483	M	56.5	Low	68.9	Low	163 Å²	163	89.6 Å²	89.6	80%	0.803	47%	0.471	S	S	*	.	H	α-helix	trans	-82.8	-32.5	179.8	-71.6	-176.8	152.3	0	0	113.2	M479 A480	M479-M483 PolarHBondContact O-N 3.12Å; A480-M483 PolarHBondContact O-N 2.95Å
484	Q	64.6	Low	68.9	Low	121 Å²	121	89.3 Å²	89.3	57%	0.565	47%	0.469	S	S	*	.			trans	-135.4	84.7	-178.8	-69.2	-176.9	-8.4	0	0	109.8	A480 G481 D486 S487	A480-Q484 PolarHBondContact O-N 2.84Å; G481-Q484 CarbonylContact O-C 3.59Å; Q484-D486 PolarHBondContact O-N 3.43Å; Q484-S487 PolarHBondContact O-N 2.89Å; Q484-S487 VanDerWaalsContact O-N 3.15Å
485	P	59.8	Low	69	Low	101 Å²	101	88.9 Å²	88.9	66%	0.656	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.8	-177.8	-23.1	31.9	0	0	0	113.6	G481	G481-P485 WeakPolarHBondContact O-CA 3.28Å
486	D	66.2	Low	69.4	Low	167 Å²	167	94.2 Å²	94.2	89%	0.893	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.7	-175.6	-57.5	-42.5	0	0	0	113.7	Q484	Q484-D486 PolarHBondContact O-N 3.43Å
487	S	61.9	Low	69.8	Low	56 Å²	56	96.9 Å²	96.9	39%	0.392	51%	0.505	S	S	.	.			trans	-122	111.5	-179	-161.3	0	0	0	0	111.3	Q484 P489	Q484-S487 PolarHBondContact O-N 2.89Å; Q484-S487 VanDerWaalsContact O-N 3.15Å; S487-P489 WeakPolarHBondContact O-CD 3.25Å
488	F	60.2	Low	70.1	Confident	192 Å²	192	95.2 Å²	95.2	84%	0.842	50%	0.498	S	S	*	.			trans	-79.8	106.3	164.1	-77.3	-82.5	0	0	0	108.5	S490	F488-S490 PolarHBondContact O-N 2.97Å
489	P	64.3	Low	70.9	Confident	36 Å²	36	91.5 Å²	91.5	23%	0.234	49%	0.488	C	S	.	.			trans	-62.4	133.8	175.6	28.8	-37.2	0	0	0	109.5	A480 S487 L491 V494	A480-P489 HydrophobicContact CB-CB 4.48Å; A480-P489 HydrophobicContact CB-CG 3.66Å; S487-P489 WeakPolarHBondContact O-CD 3.25Å; P489-L491 PolarHBondContact O-N 2.92Å; P489-V494 HydrophobicContact CB-CG2 4.09Å; P489-V494 HydrophobicContact CG-CG2 4.4Å
490	S	75.5	Confident	71.7	Confident	54 Å²	54	95.3 Å²	95.3	38%	0.378	50%	0.503	S	S	.	.			trans	-57.4	125.8	173.3	169.5	0	0	0	0	110.2	F488 V492 N493 V494	F488-S490 PolarHBondContact O-N 2.97Å; S490-V492 PolarHBondContact O-N 2.92Å; S490-V492 VanDerWaalsContact O-N 3.16Å; S490-V492 PolarHBondContact OG-N 3.36Å; S490-N493 WeakPolarHBondContact O-CA 3.45Å; S490-N493 WeakPolarHBondContact O-CB 3.49Å; S490-N493 PolarHBondContact O-N 3.39Å; S490-V494 PolarHBondContact O-N 2.9Å; S490-V494 VanDerWaalsContact O-N 3.09Å
491	L	75.6	Confident	72.5	Confident	98 Å²	98	99.6 Å²	99.6	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-46.4	-43.1	172.9	-82.7	164.2	0	0	0	111.8	V473 M477 P489 N493 V494 C495	V473-L491 HydrophobicContact CG1-CD2 3.7Å; M477-L491 HydrophobicContact CE-CD2 4.06Å; M477-L491 HydrophobicContact CE-CG 4.14Å; M477-L491 HydrophobicContact SD-CD2 3.23Å; M477-L491 WeakPolarHBondContact SD-CD2 3.37Å; M477-L491 HydrophobicContact SD-CG 3.96Å; P489-L491 PolarHBondContact O-N 2.92Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 3.33Å; L491-V494 PolarHBondContact O-N 3.34Å; L491-C495 PolarHBondContact O-N 3.19Å; L491-C495 PolarHBondContact O-SG 3.18Å
492	V	81.6	Confident	73.5	Confident	75 Å²	75	98.5 Å²	98.5	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-39.6	-179.9	179.9	0	0	0	0	111.1	S490 C495 R496	S490-V492 PolarHBondContact O-N 2.92Å; S490-V492 VanDerWaalsContact O-N 3.16Å; S490-V492 PolarHBondContact OG-N 3.36Å; V492-C495 PolarHBondContact O-N 3.01Å; V492-R496 HydrophobicContact CG1-CG 4.44Å; V492-R496 WeakPolarHBondContact O-CB 3.33Å; V492-R496 VanDerWaalsContact O-CG 3.28Å; V492-R496 WeakPolarHBondContact O-CG 3.31Å; V492-R496 PolarHBondContact O-N 3.35Å
493	N	80.9	Confident	74.5	Confident	81 Å²	81	92.2 Å²	92.2	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-68.8	-40.9	179	-69.4	-8.9	0	0	0	111.4	S490 L491 R496 Q497	S490-N493 WeakPolarHBondContact O-CA 3.45Å; S490-N493 WeakPolarHBondContact O-CB 3.49Å; S490-N493 PolarHBondContact O-N 3.39Å; L491-N493 VanDerWaalsContact C-N 3.33Å; L491-N493 PolarHBondContact O-N 3.33Å; N493-R496 PolarHBondContact O-N 3.36Å; N493-Q497 WeakPolarHBondContact O-CB 3.43Å; N493-Q497 VanDerWaalsContact O-CG 3.25Å; N493-Q497 WeakPolarHBondContact O-CG 3.4Å; N493-Q497 PolarHBondContact O-N 3.03Å
494	V	79.2	Confident	75.8	Confident	10 Å²	10	87.9 Å²	87.9	6%	0.061	46%	0.461	C	S	.	.	H	α-helix	trans	-61.7	-46.4	175.3	177.2	0	0	0	0	110.7	V473 R476 P489 S490 L491 R496 Q497 L498	V473-V494 HydrophobicContact CG1-CG1 4.43Å; R476-V494 HydrophobicContact CB-CG1 3.67Å; R476-V494 HydrophobicContact CG-CG1 4.29Å; P489-V494 HydrophobicContact CB-CG2 4.09Å; P489-V494 HydrophobicContact CG-CG2 4.4Å; S490-V494 PolarHBondContact O-N 2.9Å; S490-V494 VanDerWaalsContact O-N 3.09Å; L491-V494 PolarHBondContact O-N 3.34Å; V494-R496 PolarHBondContact O-N 2.97Å; V494-Q497 PolarHBondContact O-N 3.02Å; V494-L498 HydrophobicContact CG1-CD1 4.03Å; V494-L498 WeakPolarHBondContact O-CG 3.44Å; V494-L498 PolarHBondContact O-N 3.48Å
495	C	80	Confident	76.4	Confident	51 Å²	51	89.3 Å²	89.3	35%	0.345	47%	0.465	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.8	-69.8	0	0	0	0	112.2	L491 V492 G499	L491-C495 PolarHBondContact O-N 3.19Å; L491-C495 PolarHBondContact O-SG 3.18Å; V492-C495 PolarHBondContact O-N 3.01Å; C495-G499 PolarHBondContact O-N 3.31Å
496	R	83.3	Confident	77	Confident	189 Å²	189	86.4 Å²	86.4	71%	0.713	45%	0.454	S	S	*	.	H	α-helix	trans	-64.6	-39.9	176.5	-76.5	176.3	-179.8	167.5	-0.3	112.6	V492 N493 V494 G499	V492-R496 HydrophobicContact CG1-CG 4.44Å; V492-R496 WeakPolarHBondContact O-CB 3.33Å; V492-R496 VanDerWaalsContact O-CG 3.28Å; V492-R496 WeakPolarHBondContact O-CG 3.31Å; V492-R496 PolarHBondContact O-N 3.35Å; N493-R496 PolarHBondContact O-N 3.36Å; V494-R496 PolarHBondContact O-N 2.97Å; R496-G499 PolarHBondContact O-N 3.38Å
497	Q	82.7	Confident	77.5	Confident	166 Å²	166	78.8 Å²	78.8	78%	0.776	41%	0.414	S	S	*	.	H	α-helix	trans	-68.8	-38.2	178.7	-77.2	176.7	3.1	0	0	112.9	N493 V494	N493-Q497 WeakPolarHBondContact O-CB 3.43Å; N493-Q497 VanDerWaalsContact O-CG 3.25Å; N493-Q497 WeakPolarHBondContact O-CG 3.4Å; N493-Q497 PolarHBondContact O-N 3.03Å; V494-Q497 PolarHBondContact O-N 3.02Å
498	L	79.4	Confident	78.5	Confident	24 Å²	24	80.5 Å²	80.5	13%	0.126	43%	0.426	C	S	.	.	H	α-helix	trans	-70.1	-38.8	175.8	-71	171.2	0	0	0	111.2	I472 V473 R476 V494 G502 L503	I472-L498 HydrophobicContact CD1-CD2 4.5Å; I472-L498 HydrophobicContact CG1-CD1 4.21Å; I472-L498 HydrophobicContact CG1-CD2 4.5Å; I472-L498 HydrophobicContact CG2-CD1 4.12Å; V473-L498 HydrophobicContact CG2-CD1 4.26Å; R476-L498 HydrophobicContact CG-CD1 4.19Å; R476-L498 HydrophobicContact CG-CD2 4.27Å; V494-L498 HydrophobicContact CG1-CD1 4.03Å; V494-L498 WeakPolarHBondContact O-CG 3.44Å; V494-L498 PolarHBondContact O-N 3.48Å; L498-G502 WeakPolarHBondContact O-CA 3.4Å; L498-G502 PolarHBondContact O-N 3.16Å; L498-L503 HydrophobicContact CB-CD2 4.38Å; L498-L503 HydrophobicContact CB-CG 4.46Å; L498-L503 HydrophobicContact CD1-CD2 3.9Å
499	G	84.9	Confident	79.2	Confident	29 Å²	29	72.1 Å²	72.1	30%	0.299	39%	0.392	S	S	.	.	H	α-helix	trans	64.3	176.8	-170	0	0	0	0	0	112.3	C495 R496 T501 G502 L503	C495-G499 PolarHBondContact O-N 3.31Å; R496-G499 PolarHBondContact O-N 3.38Å; G499-T501 PolarHBondContact O-N 3.48Å; G499-G502 PolarHBondContact O-N 3.04Å; G499-L503 WeakPolarHBondContact O-CG 3.36Å; G499-L503 PolarHBondContact O-N 3.4Å; G499-L503 VanDerWaalsContact O-N 3.1Å
500	F	83.6	Confident	80.1	Confident	162 Å²	162	70.9 Å²	70.9	71%	0.711	39%	0.385	S	S	*	.	H	α-helix	trans	-60.6	-44.2	-175.7	-177	-101.3	0	0	0	113	L503 Y504	F500-L503 PolarHBondContact O-N 3.39Å; F500-Y504 HydrophobicContact CE2-CE2 4.23Å; F500-Y504 HydrophobicContact CZ-CE2 4.15Å; F500-Y504 WeakPolarHBondContact O-CD2 3.23Å
501	T	82.8	Confident	80.6	Confident	119 Å²	119	70.5 Å²	70.5	73%	0.73	38%	0.376	S	S	*	.	H	α-helix	trans	-72.4	-34.3	179.7	54.6	0	0	0	0	112.5	G499 L503 Y504 K505	G499-T501 PolarHBondContact O-N 3.48Å; T501-L503 VanDerWaalsContact C-N 3.29Å; T501-L503 PolarHBondContact O-N 3Å; T501-Y504 PolarHBondContact O-N 3.22Å; T501-K505 PolarHBondContact O-N 3.29Å
502	G	79.6	Confident	81	Confident	11 Å²	11	70.6 Å²	70.6	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-68.1	-28.7	176.3	0	0	0	0	0	112.8	I472 L498 G499 Y504 K505	I472-G502 WeakPolarHBondContact CD1-O 3.38Å; L498-G502 WeakPolarHBondContact O-CA 3.4Å; L498-G502 PolarHBondContact O-N 3.16Å; G499-G502 PolarHBondContact O-N 3.04Å; G502-Y504 PolarHBondContact O-N 3.13Å; G502-K505 VanDerWaalsContact O-CB 3.26Å; G502-K505 WeakPolarHBondContact O-CB 3.36Å; G502-K505 PolarHBondContact O-N 3.19Å; G502-K505 VanDerWaalsContact O-N 3.11Å
503	L	81.9	Confident	81.1	Confident	31 Å²	31	70 Å²	70	16%	0.162	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20	173.5	-71.8	171.9	0	0	0	113.6	N468 P469 I472 V473 L498 G499 F500 T501	N468-L503 PolarHBondContact ND2-O 2.79Å; P469-L503 HydrophobicContact CB-CB 4.24Å; P469-L503 HydrophobicContact CB-CD1 4.48Å; P469-L503 HydrophobicContact CB-CD2 4.22Å; P469-L503 HydrophobicContact CG-CB 4.43Å; I472-L503 HydrophobicContact CG2-CD2 3.93Å; I472-L503 WeakPolarHBondContact CG2-O 3.46Å; V473-L503 HydrophobicContact CG2-CD2 3.77Å; L498-L503 HydrophobicContact CB-CD2 4.38Å; L498-L503 HydrophobicContact CB-CG 4.46Å; L498-L503 HydrophobicContact CD1-CD2 3.9Å; G499-L503 WeakPolarHBondContact O-CG 3.36Å; G499-L503 PolarHBondContact O-N 3.4Å; G499-L503 VanDerWaalsContact O-N 3.1Å; F500-L503 PolarHBondContact O-N 3.39Å; T501-L503 VanDerWaalsContact C-N 3.29Å; T501-L503 PolarHBondContact O-N 3Å
504	Y	84.4	Confident	81.4	Confident	73 Å²	73	66.7 Å²	66.7	29%	0.286	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.2	176.3	-72.6	-81.3	0	0	0	113.2	M465 N468 P469 F500 T501 G502 G506 A507	M465-Y504 HydrophobicContact CE-CE1 4.27Å; M465-Y504 WeakPolarHBondContact O-CE1 3.24Å; M465-Y504 PolarHBondContact O-OH 3.06Å; N468-Y504 WeakPolarHBondContact ND2-CA 2.78Å; P469-Y504 HydrophobicContact CG-CE1 4.41Å; P469-Y504 HydrophobicContact CG-CE2 4.42Å; F500-Y504 HydrophobicContact CE2-CE2 4.23Å; F500-Y504 HydrophobicContact CZ-CE2 4.15Å; F500-Y504 WeakPolarHBondContact O-CD2 3.23Å; T501-Y504 PolarHBondContact O-N 3.22Å; G502-Y504 PolarHBondContact O-N 3.13Å; Y504-G506 PolarHBondContact O-N 3.03Å; Y504-A507 HydrophobicContact CD1-CB 4.24Å; Y504-A507 WeakPolarHBondContact O-CB 3.4Å; Y504-A507 PolarHBondContact O-N 3.02Å
505	K	76.6	Confident	82	Confident	150 Å²	150	69.1 Å²	69.1	65%	0.652	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	124.4	176.3	-167.5	171	-176.1	172.7	0	109.6	I472 T501 G502 A507	I472-K505 HydrophobicContact CD1-CB 3.94Å; I472-K505 WeakPolarHBondContact CD1-O 3.23Å; T501-K505 PolarHBondContact O-N 3.29Å; G502-K505 VanDerWaalsContact O-CB 3.26Å; G502-K505 WeakPolarHBondContact O-CB 3.36Å; G502-K505 PolarHBondContact O-N 3.19Å; G502-K505 VanDerWaalsContact O-N 3.11Å; K505-A507 VanDerWaalsContact C-N 3.35Å
506	G	72	Confident	82.5	Confident	41 Å²	41	68.8 Å²	68.8	42%	0.423	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-5.3	-175	0	0	0	0	0	114.8	Y504 S508 A509 C510	Y504-G506 PolarHBondContact O-N 3.03Å; G506-S508 PolarHBondContact O-N 2.8Å; G506-A509 WeakPolarHBondContact O-CB 3.45Å; G506-A509 PolarHBondContact O-N 3.23Å; G506-C510 PolarHBondContact O-N 2.76Å
507	A	78.2	Confident	82.9	Confident	6 Å²	6	60.4 Å²	60.4	5%	0.05	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-35.2	-179.4	0	0	0	0	0	112.7	N468 Y504 K505 A509 C510 F511	N468-A507 WeakPolarHBondContact OD1-CA 3.38Å; Y504-A507 HydrophobicContact CD1-CB 4.24Å; Y504-A507 WeakPolarHBondContact O-CB 3.4Å; Y504-A507 PolarHBondContact O-N 3.02Å; K505-A507 VanDerWaalsContact C-N 3.35Å; A507-A509 PolarHBondContact O-N 3.5Å; A507-C510 CarbonylContact O-C 3.28Å; A507-C510 WeakPolarHBondContact O-CA 3.44Å; A507-C510 WeakPolarHBondContact O-CB 3.38Å; A507-C510 PolarHBondContact O-N 3.46Å; A507-F511 HydrophobicContact CB-CD2 4.22Å; A507-F511 HydrophobicContact CB-CE2 3.87Å; A507-F511 WeakPolarHBondContact O-CD2 3.46Å; A507-F511 PolarHBondContact O-N 2.92Å
508	S	81.4	Confident	83.4	Confident	92 Å²	92	52.5 Å²	52.5	64%	0.643	29%	0.289	S	S	*	.	H	α-helix	trans	-55	-39.3	175.4	57.5	0	0	0	0	112.7	G506 C510 F511 L512	G506-S508 PolarHBondContact O-N 2.8Å; S508-C510 VanDerWaalsContact C-N 3.34Å; S508-F511 PolarHBondContact O-N 2.76Å; S508-L512 WeakPolarHBondContact O-CB 3.45Å; S508-L512 PolarHBondContact O-N 2.82Å
509	A	74.9	Confident	84	Confident	17 Å²	17	52.1 Å²	52.1	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-76.6	-25.5	179.5	0	0	0	0	0	111.8	G506 A507 R513 K566	G506-A509 WeakPolarHBondContact O-CB 3.45Å; G506-A509 PolarHBondContact O-N 3.23Å; A507-A509 PolarHBondContact O-N 3.5Å; A509-R513 PolarHBondContact O-N 3.42Å; A509-K566 VanDerWaalsContact C-NZ 3.33Å; A509-K566 HydrophobicContact CB-CD 3.86Å; A509-K566 HydrophobicContact CB-CG 4.46Å; A509-K566 PolarHBondContact O-NZ 3.3Å
510	C	83.1	Confident	84.4	Confident	10 Å²	10	52.9 Å²	52.9	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-74.8	-43	170.5	-63.6	0	0	0	0	110.8	V464 G506 A507 S508 L512 R513 D514	V464-C510 HydrophobicContact CB-CB 4.47Å; V464-C510 HydrophobicContact CG1-CB 3.55Å; V464-C510 HydrophobicContact CG2-CB 4Å; G506-C510 PolarHBondContact O-N 2.76Å; A507-C510 CarbonylContact O-C 3.28Å; A507-C510 WeakPolarHBondContact O-CA 3.44Å; A507-C510 WeakPolarHBondContact O-CB 3.38Å; A507-C510 PolarHBondContact O-N 3.46Å; S508-C510 VanDerWaalsContact C-N 3.34Å; C510-L512 PolarHBondContact O-N 3.39Å; C510-R513 PolarHBondContact O-N 2.88Å; C510-R513 VanDerWaalsContact O-N 3.14Å; C510-D514 WeakPolarHBondContact O-CB 3.19Å; C510-D514 PolarHBondContact O-N 3.12Å
511	F	87	Confident	84.9	Confident	45 Å²	45	45.2 Å²	45.2	20%	0.197	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-47.9	173.3	-75.7	-59.6	0	0	0	112.4	A461 V464 M465 A507 S508 R513 D514 I515	A461-F511 HydrophobicContact CB-CD1 4.34Å; A461-F511 HydrophobicContact CB-CE1 4.16Å; A461-F511 WeakPolarHBondContact O-CE1 3.4Å; V464-F511 HydrophobicContact CB-CD1 3.94Å; V464-F511 HydrophobicContact CB-CE1 3.66Å; V464-F511 HydrophobicContact CB-CZ 4.03Å; V464-F511 HydrophobicContact CG1-CD1 3.9Å; V464-F511 HydrophobicContact CG1-CD2 4.12Å; V464-F511 HydrophobicContact CG1-CE1 3.69Å; V464-F511 HydrophobicContact CG1-CE2 3.88Å; V464-F511 HydrophobicContact CG1-CG 4.08Å; V464-F511 HydrophobicContact CG1-CZ 3.61Å; V464-F511 HydrophobicContact CG2-CD1 4.43Å; M465-F511 HydrophobicContact CE-CE1 4.36Å; M465-F511 HydrophobicContact CE-CE2 3.78Å; M465-F511 HydrophobicContact CE-CZ 3.3Å; M465-F511 HydrophobicContact CG-CE1 4.19Å; M465-F511 HydrophobicContact CG-CZ 3.88Å; M465-F511 HydrophobicContact SD-CZ 4.37Å; A507-F511 HydrophobicContact CB-CD2 4.22Å; A507-F511 HydrophobicContact CB-CE2 3.87Å; A507-F511 WeakPolarHBondContact O-CD2 3.46Å; A507-F511 PolarHBondContact O-N 2.92Å; S508-F511 PolarHBondContact O-N 2.76Å; F511-R513 PolarHBondContact O-N 2.66Å; F511-D514 PolarHBondContact O-N 3.25Å; F511-I515 HydrophobicContact CB-CD1 4.04Å; F511-I515 HydrophobicContact CD1-CD1 3.77Å; F511-I515 HydrophobicContact CD1-CG1 4.25Å; F511-I515 HydrophobicContact CG-CD1 4.32Å; F511-I515 VanDerWaalsContact O-CB 3.29Å; F511-I515 WeakPolarHBondContact O-CB 3.41Å; F511-I515 WeakPolarHBondContact O-CG1 3.05Å; F511-I515 PolarHBondContact O-N 2.77Å
512	L	83.7	Confident	85.3	Confident	100 Å²	100	39.9 Å²	39.9	52%	0.524	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-24.5	179.1	-174.1	62.8	0	0	0	112.9	S508 C510 P516	S508-L512 WeakPolarHBondContact O-CB 3.45Å; S508-L512 PolarHBondContact O-N 2.82Å; C510-L512 PolarHBondContact O-N 3.39Å; L512-P516 WeakPolarHBondContact O-CD 3.45Å; L512-P516 WeakPolarHBondContact O-CG 3.35Å
513	R	83.8	Confident	85.8	Confident	63 Å²	63	39.6 Å²	39.6	24%	0.238	22%	0.215	C	C	.	.	H	α-helix	trans	-86.4	-51	176.4	-175.9	-170.2	69.6	-158.7	-8.2	111.3	A509 C510 F511 F517	A509-R513 PolarHBondContact O-N 3.42Å; C510-R513 PolarHBondContact O-N 2.88Å; C510-R513 VanDerWaalsContact O-N 3.14Å; F511-R513 PolarHBondContact O-N 2.66Å; R513-F517 WeakPolarHBondContact O-CB 3.45Å; R513-F517 PolarHBondContact O-N 3.05Å
514	D	87.7	Confident	86.4	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.059	22%	0.224	C	C	.	.	H	α-helix	trans	-85.6	-30.1	-165.1	-66.5	-14.4	0	0	0	112.7	Q463 V464 C510 F511 S518	Q463-D514 PolarHBondContact NE2-OD2 3.31Å; V464-D514 HydrophobicContact CG2-CB 3.63Å; V464-D514 WeakPolarHBondContact CG2-OD2 3.47Å; C510-D514 WeakPolarHBondContact O-CB 3.19Å; C510-D514 PolarHBondContact O-N 3.12Å; F511-D514 PolarHBondContact O-N 3.25Å; D514-S518 WeakPolarHBondContact O-CB 3.04Å; D514-S518 PolarHBondContact O-N 2.95Å; D514-S518 PolarHBondContact O-OG 2.67Å
515	I	91.4	Very high	86.7	Confident	61 Å²	61	38.3 Å²	38.3	31%	0.313	21%	0.213	S	C	.	.	H	α-helix	trans	-66	-57.3	174.5	-63.9	173.8	0	0	0	110.3	A461 F511 F517 S518 A519	A461-I515 HydrophobicContact CB-CD1 3.92Å; A461-I515 HydrophobicContact CB-CG1 3.93Å; F511-I515 HydrophobicContact CB-CD1 4.04Å; F511-I515 HydrophobicContact CD1-CD1 3.77Å; F511-I515 HydrophobicContact CD1-CG1 4.25Å; F511-I515 HydrophobicContact CG-CD1 4.32Å; F511-I515 VanDerWaalsContact O-CB 3.29Å; F511-I515 WeakPolarHBondContact O-CB 3.41Å; F511-I515 WeakPolarHBondContact O-CG1 3.05Å; F511-I515 PolarHBondContact O-N 2.77Å; I515-F517 VanDerWaalsContact C-N 3.34Å; I515-F517 PolarHBondContact O-N 3.36Å; I515-S518 PolarHBondContact O-N 3.5Å; I515-A519 WeakPolarHBondContact O-CB 3.39Å; I515-A519 PolarHBondContact O-N 3.1Å
516	P	90.5	Very high	87.2	Confident	44 Å²	44	31.6 Å²	31.6	29%	0.286	19%	0.185	S	C	.	.	H	α-helix	trans	-64.1	-40.2	-177.8	-23.8	38	0	0	0	112.1	L512 S518 A519 I520	L512-P516 WeakPolarHBondContact O-CD 3.45Å; L512-P516 WeakPolarHBondContact O-CG 3.35Å; P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.48Å; P516-A519 PolarHBondContact O-N 3.39Å; P516-I520 WeakPolarHBondContact O-CB 2.86Å; P516-I520 WeakPolarHBondContact O-CD1 3.21Å; P516-I520 VanDerWaalsContact O-CG1 3.29Å; P516-I520 WeakPolarHBondContact O-CG1 3.42Å; P516-I520 PolarHBondContact O-N 2.96Å
517	F	91.5	Very high	87.9	Confident	13 Å²	13	34 Å²	34	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-47.6	176.6	179.2	-86.6	0	0	0	110.9	R513 I515 I520 Y521 A555 A556 C559 F614	R513-F517 WeakPolarHBondContact O-CB 3.45Å; R513-F517 PolarHBondContact O-N 3.05Å; I515-F517 VanDerWaalsContact C-N 3.34Å; I515-F517 PolarHBondContact O-N 3.36Å; F517-I520 PolarHBondContact O-N 3.35Å; F517-Y521 HydrophobicContact CE1-CD2 4.28Å; F517-Y521 HydrophobicContact CE1-CG 4.04Å; F517-Y521 HydrophobicContact CZ-CD2 4.11Å; F517-Y521 HydrophobicContact CZ-CG 4.32Å; F517-Y521 WeakPolarHBondContact O-CB 3.34Å; F517-Y521 PolarHBondContact O-N 2.87Å; F517-A555 HydrophobicContact CD2-CB 3.95Å; F517-A555 WeakPolarHBondContact CD2-O 3.44Å; F517-A555 HydrophobicContact CE2-CB 3.69Å; F517-A555 HydrophobicContact CZ-CB 4.13Å; F517-A556 HydrophobicContact CE2-CB 4.46Å; F517-C559 PolarHBondContact N-SG 2.91Å; F517-F614 HydrophobicContact CD1-CZ 4.44Å; F517-F614 HydrophobicContact CE1-CD2 4.22Å; F517-F614 HydrophobicContact CE1-CE1 4.25Å; F517-F614 AromaticContact CE1-CE2 3.39Å; F517-F614 HydrophobicContact CE1-CE2 3.39Å; F517-F614 AromaticContact CE1-CZ 3.4Å; F517-F614 HydrophobicContact CE1-CZ 3.4Å; F517-F614 VanDerWaalsContact CE1-CZ 3.4Å; F517-F614 HydrophobicContact CE2-CE2 4.44Å; F517-F614 AromaticContact CZ-CD2 3.85Å; F517-F614 HydrophobicContact CZ-CD2 3.85Å; F517-F614 AromaticContact CZ-CE2 3.28Å; F517-F614 HydrophobicContact CZ-CE2 3.28Å; F517-F614 AromaticContact CZ-CZ 3.85Å; F517-F614 HydrophobicContact CZ-CZ 3.85Å
518	S	92.3	Very high	88.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.5	-36.8	-177.2	-52.1	0	0	0	0	112.7	K430 G456 D514 I515 P516 I520 Y521 F522	K430-S518 WeakPolarHBondContact CE-OG 3.03Å; K430-S518 PolarHBondContact NZ-OG 3.06Å; G456-S518 WeakPolarHBondContact O-CB 3.32Å; D514-S518 WeakPolarHBondContact O-CB 3.04Å; D514-S518 PolarHBondContact O-N 2.95Å; D514-S518 PolarHBondContact O-OG 2.67Å; I515-S518 PolarHBondContact O-N 3.5Å; P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.48Å; S518-I520 PolarHBondContact O-N 3.4Å; S518-Y521 PolarHBondContact O-N 3.36Å; S518-F522 WeakPolarHBondContact O-CD2 3.3Å; S518-F522 PolarHBondContact O-N 3.41Å; S518-F522 VanDerWaalsContact O-N 3.13Å
519	A	93.4	Very high	88.6	Confident	16 Å²	16	30.7 Å²	30.7	13%	0.132	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-27.4	176	0	0	0	0	0	112.9	V453 I515 P516 P523	V453-A519 HydrophobicContact CG1-CB 3.95Å; I515-A519 WeakPolarHBondContact O-CB 3.39Å; I515-A519 PolarHBondContact O-N 3.1Å; P516-A519 PolarHBondContact O-N 3.39Å; A519-P523 VanDerWaalsContact O-CD 3.23Å; A519-P523 WeakPolarHBondContact O-CD 3.38Å; A519-P523 VanDerWaalsContact O-CG 3.25Å; A519-P523 WeakPolarHBondContact O-CG 3.47Å
520	I	93	Very high	88.8	Confident	45 Å²	45	36.1 Å²	36.1	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-87.9	-46.6	173.2	-65.6	166.8	0	0	0	110.7	P516 F517 S518 L524 A555 I558	P516-I520 WeakPolarHBondContact O-CB 2.86Å; P516-I520 WeakPolarHBondContact O-CD1 3.21Å; P516-I520 VanDerWaalsContact O-CG1 3.29Å; P516-I520 WeakPolarHBondContact O-CG1 3.42Å; P516-I520 PolarHBondContact O-N 2.96Å; F517-I520 PolarHBondContact O-N 3.35Å; S518-I520 PolarHBondContact O-N 3.4Å; I520-L524 HydrophobicContact CG2-CD1 3.58Å; I520-L524 HydrophobicContact CG2-CG 4.42Å; I520-L524 WeakPolarHBondContact O-CB 3.34Å; I520-L524 VanDerWaalsContact O-CG 3.28Å; I520-L524 WeakPolarHBondContact O-CG 3.01Å; I520-L524 PolarHBondContact O-N 2.94Å; I520-A555 HydrophobicContact CB-CB 4.44Å; I520-A555 HydrophobicContact CG2-CB 4.02Å; I520-I558 HydrophobicContact CD1-CB 4.3Å; I520-I558 HydrophobicContact CD1-CG2 3.94Å
521	Y	93.6	Very high	88.5	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-47.7	-170.9	177	-95.6	0	0	0	113.4	F517 S518 L524 Y525 A551 A555 F614 L618	F517-Y521 HydrophobicContact CE1-CD2 4.28Å; F517-Y521 HydrophobicContact CE1-CG 4.04Å; F517-Y521 HydrophobicContact CZ-CD2 4.11Å; F517-Y521 HydrophobicContact CZ-CG 4.32Å; F517-Y521 WeakPolarHBondContact O-CB 3.34Å; F517-Y521 PolarHBondContact O-N 2.87Å; S518-Y521 PolarHBondContact O-N 3.36Å; Y521-L524 PolarHBondContact O-N 2.87Å; Y521-Y525 WeakPolarHBondContact O-CB 3.19Å; Y521-Y525 PolarHBondContact O-N 2.87Å; Y521-A551 HydrophobicContact CD2-CB 4.2Å; Y521-A551 HydrophobicContact CE2-CB 4.03Å; Y521-A555 HydrophobicContact CD2-CB 4.14Å; Y521-A555 HydrophobicContact CG-CB 4.49Å; Y521-F614 AromaticContact CE1-CD1 3.99Å; Y521-F614 HydrophobicContact CE1-CD1 3.99Å; Y521-F614 HydrophobicContact CE1-CE1 4.47Å; Y521-F614 HydrophobicContact CE1-CG 4.45Å; Y521-F614 HydrophobicContact CE2-CB 3.91Å; Y521-F614 HydrophobicContact CE2-CD1 4.36Å; Y521-F614 HydrophobicContact CE2-CD2 4.44Å; Y521-F614 AromaticContact CE2-CG 4Å; Y521-F614 HydrophobicContact CE2-CG 4Å; Y521-F614 AromaticContact CZ-CD1 3.84Å; Y521-F614 AromaticContact CZ-CG 3.87Å; Y521-F614 WeakPolarHBondContact OH-CB 3.26Å; Y521-L618 HydrophobicContact CE1-CD1 3.81Å; Y521-L618 WeakPolarHBondContact OH-CD1 3Å
522	F	91.7	Very high	88.2	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-44.5	-174.2	-80.1	-68.3	0	0	0	114.2	K430 L431 N434 S518 Y525 A526	K430-F522 HydrophobicContact CD-CE2 4.17Å; K430-F522 HydrophobicContact CD-CZ 4.42Å; K430-F522 HydrophobicContact CG-CE2 3.7Å; K430-F522 HydrophobicContact CG-CZ 3.82Å; L431-F522 HydrophobicContact CD2-CE1 3.86Å; L431-F522 HydrophobicContact CD2-CZ 3.95Å; N434-F522 HydrophobicContact CB-CD1 4.48Å; N434-F522 HydrophobicContact CB-CD2 4.26Å; N434-F522 HydrophobicContact CB-CE1 4.11Å; N434-F522 HydrophobicContact CB-CE2 3.83Å; N434-F522 HydrophobicContact CB-CZ 3.74Å; N434-F522 WeakPolarHBondContact ND2-CD1 3.31Å; N434-F522 WeakPolarHBondContact OD1-CG 3.43Å; S518-F522 WeakPolarHBondContact O-CD2 3.3Å; S518-F522 PolarHBondContact O-N 3.41Å; S518-F522 VanDerWaalsContact O-N 3.13Å; F522-Y525 PolarHBondContact O-N 3.41Å; F522-A526 WeakPolarHBondContact O-CB 2.87Å; F522-A526 PolarHBondContact O-N 2.89Å
523	P	90.9	Very high	87.5	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-45.4	172.8	-25.7	35.8	0	0	0	112	F449 E452 V453 A519 Y525 A526 H527	F449-P523 HydrophobicContact CE2-CB 4.02Å; E452-P523 HydrophobicContact CB-CB 4.12Å; E452-P523 HydrophobicContact CB-CG 3.83Å; E452-P523 WeakPolarHBondContact OE2-CA 3.23Å; E452-P523 WeakPolarHBondContact OE2-CB 3.45Å; V453-P523 HydrophobicContact CG2-CG 3.98Å; A519-P523 VanDerWaalsContact O-CD 3.23Å; A519-P523 WeakPolarHBondContact O-CD 3.38Å; A519-P523 VanDerWaalsContact O-CG 3.25Å; A519-P523 WeakPolarHBondContact O-CG 3.47Å; P523-Y525 VanDerWaalsContact C-N 3.29Å; P523-Y525 PolarHBondContact O-N 3.15Å; P523-A526 PolarHBondContact O-N 3.48Å; P523-A526 VanDerWaalsContact O-N 3.14Å; P523-H527 PolarHBondContact O-CD2 3.34Å; P523-H527 PolarHBondContact O-N 2.83Å
524	L	92.5	Very high	86.3	Confident	67 Å²	67	41.9 Å²	41.9	35%	0.351	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-39.5	177.3	-74.1	177.8	0	0	0	112.3	I520 Y521 A528 A551 P554	I520-L524 HydrophobicContact CG2-CD1 3.58Å; I520-L524 HydrophobicContact CG2-CG 4.42Å; I520-L524 WeakPolarHBondContact O-CB 3.34Å; I520-L524 VanDerWaalsContact O-CG 3.28Å; I520-L524 WeakPolarHBondContact O-CG 3.01Å; I520-L524 PolarHBondContact O-N 2.94Å; Y521-L524 PolarHBondContact O-N 2.87Å; L524-A528 WeakPolarHBondContact O-CB 2.84Å; L524-A528 PolarHBondContact O-N 3.28Å; L524-A551 HydrophobicContact CB-CB 3.88Å; L524-P554 HydrophobicContact CD1-CB 4.12Å; L524-P554 HydrophobicContact CD1-CG 3.32Å
525	Y	91.3	Very high	84.3	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-44.3	174.2	176	-117.5	0	0	0	112.1	Y521 F522 P523 H527 A528 K529 A547 A548 L618 E622	Y521-Y525 WeakPolarHBondContact O-CB 3.19Å; Y521-Y525 PolarHBondContact O-N 2.87Å; F522-Y525 PolarHBondContact O-N 3.41Å; P523-Y525 VanDerWaalsContact C-N 3.29Å; P523-Y525 PolarHBondContact O-N 3.15Å; Y525-H527 VanDerWaalsContact C-N 3.34Å; Y525-H527 PolarHBondContact O-N 2.94Å; Y525-A528 PolarHBondContact O-N 3.13Å; Y525-K529 HydrophobicContact CD1-CD 4.43Å; Y525-K529 HydrophobicContact CD2-CG 4.13Å; Y525-K529 HydrophobicContact CE1-CD 3.68Å; Y525-K529 HydrophobicContact CE1-CG 4.23Å; Y525-K529 VanDerWaalsContact CE1-NZ 3.29Å; Y525-K529 HydrophobicContact CE2-CD 3.89Å; Y525-K529 HydrophobicContact CE2-CG 3.64Å; Y525-K529 VanDerWaalsContact CZ-CD 3.4Å; Y525-K529 WeakPolarHBondContact O-CB 3.46Å; Y525-K529 WeakPolarHBondContact O-CG 3.43Å; Y525-K529 PolarHBondContact O-N 3.37Å; Y525-K529 WeakPolarHBondContact OH-CD 3.48Å; Y525-A547 HydrophobicContact CD2-CB 4.11Å; Y525-A547 HydrophobicContact CE2-CB 4Å; Y525-A548 HydrophobicContact CD2-CB 3.81Å; Y525-A548 HydrophobicContact CE2-CB 3.58Å; Y525-L618 HydrophobicContact CD1-CD1 3.54Å; Y525-L618 HydrophobicContact CD2-CD1 3.91Å; Y525-L618 HydrophobicContact CE1-CB 4.45Å; Y525-L618 HydrophobicContact CE1-CD1 3.4Å; Y525-L618 HydrophobicContact CE1-CG 4.39Å; Y525-L618 HydrophobicContact CE2-CB 4.42Å; Y525-L618 HydrophobicContact CE2-CD1 3.78Å; Y525-L618 HydrophobicContact CG-CD1 3.76Å; Y525-L618 VanDerWaalsContact CZ-CD1 3.49Å; Y525-E622 WeakPolarHBondContact CE1-OE1 3.39Å; Y525-E622 VanDerWaalsContact CZ-OE1 3.3Å; Y525-E622 PolarHBondContact OH-OE1 3.26Å
526	A	86.7	Confident	82.1	Confident	9 Å²	9	42.2 Å²	42.2	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-45.8	177.9	0	0	0	0	0	111.3	F522 P523 L530	F522-A526 WeakPolarHBondContact O-CB 2.87Å; F522-A526 PolarHBondContact O-N 2.89Å; P523-A526 PolarHBondContact O-N 3.48Å; P523-A526 VanDerWaalsContact O-N 3.14Å; A526-L530 WeakPolarHBondContact O-CG 3.38Å; A526-L530 PolarHBondContact O-N 3.45Å
527	H	88.1	Confident	80.7	Confident	93 Å²	93	42 Å²	42	43%	0.431	23%	0.225	S	C	.	.	H	α-helix	trans	-71.5	-40	177.3	-73.7	-70.2	0	0	0	113.2	F449 E452 P523 Y525 K529 L530 W531	F449-H527 AromaticContact CD2-NE2 3.94Å; E452-H527 IonicContact OE2-CD2 2.73Å; E452-H527 IonicContact OE2-NE2 3.18Å; P523-H527 PolarHBondContact O-CD2 3.34Å; P523-H527 PolarHBondContact O-N 2.83Å; Y525-H527 VanDerWaalsContact C-N 3.34Å; Y525-H527 PolarHBondContact O-N 2.94Å; H527-K529 VanDerWaalsContact C-N 3.31Å; H527-K529 PolarHBondContact O-N 3.3Å; H527-L530 WeakPolarHBondContact O-CB 3.22Å; H527-L530 PolarHBondContact O-N 3.03Å; H527-L530 VanDerWaalsContact O-N 3.13Å; H527-W531 PolarHBondContact O-N 3.11Å
528	A	88.6	Confident	79.4	Confident	12 Å²	12	42.4 Å²	42.4	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-39.3	175.8	0	0	0	0	0	111.2	L524 Y525 L530 W531 F532 A547	L524-A528 WeakPolarHBondContact O-CB 2.84Å; L524-A528 PolarHBondContact O-N 3.28Å; Y525-A528 PolarHBondContact O-N 3.13Å; A528-L530 VanDerWaalsContact C-N 3.3Å; A528-L530 PolarHBondContact O-N 3.23Å; A528-W531 WeakPolarHBondContact O-CB 3.39Å; A528-W531 PolarHBondContact O-N 3.1Å; A528-W531 VanDerWaalsContact O-N 3.09Å; A528-F532 HydrophobicContact CB-CD2 4.49Å; A528-F532 WeakPolarHBondContact O-CB 3.47Å; A528-F532 VanDerWaalsContact O-CD2 3.26Å; A528-F532 WeakPolarHBondContact O-CD2 3.28Å; A528-F532 PolarHBondContact O-N 2.94Å; A528-A547 HydrophobicContact CB-CB 3.84Å
529	K	84.9	Confident	78.5	Confident	15 Å²	15	42.7 Å²	42.7	7%	0.065	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-36.3	172.3	-84.7	-163.3	-67.4	-171.1	0	113.5	Y525 H527 W531 A533 N539 L544 A547 E622 T638	Y525-K529 HydrophobicContact CD1-CD 4.43Å; Y525-K529 HydrophobicContact CD2-CG 4.13Å; Y525-K529 HydrophobicContact CE1-CD 3.68Å; Y525-K529 HydrophobicContact CE1-CG 4.23Å; Y525-K529 VanDerWaalsContact CE1-NZ 3.29Å; Y525-K529 HydrophobicContact CE2-CD 3.89Å; Y525-K529 HydrophobicContact CE2-CG 3.64Å; Y525-K529 VanDerWaalsContact CZ-CD 3.4Å; Y525-K529 WeakPolarHBondContact O-CB 3.46Å; Y525-K529 WeakPolarHBondContact O-CG 3.43Å; Y525-K529 PolarHBondContact O-N 3.37Å; Y525-K529 WeakPolarHBondContact OH-CD 3.48Å; H527-K529 VanDerWaalsContact C-N 3.31Å; H527-K529 PolarHBondContact O-N 3.3Å; K529-W531 VanDerWaalsContact C-N 3.26Å; K529-A533 WeakPolarHBondContact O-CA 3.26Å; K529-A533 VanDerWaalsContact O-CB 3.25Å; K529-A533 WeakPolarHBondContact O-CB 3.41Å; K529-A533 PolarHBondContact O-N 2.87Å; K529-N539 PolarHBondContact O-ND2 3.1Å; K529-N539 PolarHBondContact O-OD1 3.08Å; K529-N539 VanDerWaalsContact O-OD1 3.07Å; K529-L544 HydrophobicContact CD-CD2 3.81Å; K529-L544 HydrophobicContact CG-CD2 4.31Å; K529-A547 HydrophobicContact CG-CB 3.9Å; K529-E622 IonicContact NZ-OE1 2.92Å; K529-E622 PolarHBondContact NZ-OE1 3.29Å; K529-E622 IonicContact NZ-OE2 2.75Å; K529-T638 PolarHBondContact NZ-O 3.35Å
530	L	79	Confident	77.9	Confident	131 Å²	131	45.3 Å²	45.3	69%	0.686	24%	0.24	S	C	*	.	H	α-helix	trans	-67.9	-33.2	174.9	-68.7	171.4	0	0	0	110.9	A526 H527 A528	A526-L530 WeakPolarHBondContact O-CG 3.38Å; A526-L530 PolarHBondContact O-N 3.45Å; H527-L530 WeakPolarHBondContact O-CB 3.22Å; H527-L530 PolarHBondContact O-N 3.03Å; H527-L530 VanDerWaalsContact O-N 3.13Å; A528-L530 VanDerWaalsContact C-N 3.3Å; A528-L530 PolarHBondContact O-N 3.23Å
531	W	77.8	Confident	77.6	Confident	203 Å²	203	45.8 Å²	45.8	77%	0.769	25%	0.246	S	C	*	.	H	α-helix	trans	-76.4	-36.6	178.4	-171.3	35.5	0	0	0	113.5	H527 A528 K529	H527-W531 PolarHBondContact O-N 3.11Å; A528-W531 WeakPolarHBondContact O-CB 3.39Å; A528-W531 PolarHBondContact O-N 3.1Å; A528-W531 VanDerWaalsContact O-N 3.09Å; K529-W531 VanDerWaalsContact C-N 3.26Å
532	F	79.3	Confident	77.4	Confident	65 Å²	65	54.4 Å²	54.4	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-87.2	-5.9	176.3	-82.1	-69	0	0	0	113.8	A528 D534 A547 I550	A528-F532 HydrophobicContact CB-CD2 4.49Å; A528-F532 WeakPolarHBondContact O-CB 3.47Å; A528-F532 VanDerWaalsContact O-CD2 3.26Å; A528-F532 WeakPolarHBondContact O-CD2 3.28Å; A528-F532 PolarHBondContact O-N 2.94Å; F532-D534 PolarHBondContact O-N 3.37Å; F532-A547 HydrophobicContact CD2-CB 3.91Å; F532-I550 HydrophobicContact CE2-CD1 3.42Å; F532-I550 VanDerWaalsContact CE2-CD1 3.42Å; F532-I550 HydrophobicContact CZ-CD1 3.4Å; F532-I550 VanDerWaalsContact CZ-CD1 3.4Å
533	A	70.3	Confident	77.2	Confident	23 Å²	23	54.3 Å²	54.3	19%	0.19	28%	0.279	C	S	.	.	S	Bend	trans	-60.9	138.2	173.9	0	0	0	0	0	108.8	K529 H538	K529-A533 WeakPolarHBondContact O-CA 3.26Å; K529-A533 VanDerWaalsContact O-CB 3.25Å; K529-A533 WeakPolarHBondContact O-CB 3.41Å; K529-A533 PolarHBondContact O-N 2.87Å; A533-H538 CarbonylContact C-O 3.59Å; A533-H538 VanDerWaalsContact CA-O 3.25Å; A533-H538 WeakPolarHBondContact CA-O 3.43Å
534	D	57.2	Low	77.2	Confident	48 Å²	48	54.1 Å²	54.1	26%	0.257	28%	0.278	S	S	.	.			trans	-60.2	165.1	154.1	71.9	19.8	0	0	0	108.2	F532 D536 G537 H538 R643	F532-D534 PolarHBondContact O-N 3.37Å; D534-D536 PolarHBondContact O-N 2.94Å; D534-D536 WeakPolarHBondContact OD1-CB 3.39Å; D534-D536 PolarHBondContact OD1-N 3.45Å; D534-D536 VanDerWaalsContact OD1-N 3.15Å; D534-G537 VanDerWaalsContact O-CA 3.25Å; D534-G537 WeakPolarHBondContact O-CA 3.35Å; D534-G537 PolarHBondContact O-N 3.43Å; D534-G537 PolarHBondContact OD1-N 2.93Å; D534-H538 PolarHBondContact N-O 3.06Å; D534-H538 WeakPolarHBondContact OD1-CA 3.48Å; D534-H538 VanDerWaalsContact OD1-CB 3.27Å; D534-H538 WeakPolarHBondContact OD1-CB 3.43Å; D534-H538 PolarHBondContact OD1-N 3.22Å; D534-H538 IonicContact OD2-CD2 3.95Å; D534-R643 IonicContact OD2-NH2 2.72Å; D534-R643 PolarHBondContact OD2-NH2 3.35Å
535	A	47.1	Very low	77.2	Confident	52 Å²	52	52.9 Å²	52.9	43%	0.43	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6.4	-172.8	0	0	0	0	0	114.5	R648	A535-R648 VanDerWaalsContact CB-CD 3.46Å
536	D	45.2	Very low	77.3	Confident	28 Å²	28	54.2 Å²	54.2	15%	0.15	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.8	155.1	-63.7	-38.7	0	0	0	111.3	D534 H538 S646 N647 R648	D534-D536 PolarHBondContact O-N 2.94Å; D534-D536 WeakPolarHBondContact OD1-CB 3.39Å; D534-D536 PolarHBondContact OD1-N 3.45Å; D534-D536 VanDerWaalsContact OD1-N 3.15Å; D536-H538 VanDerWaalsContact C-N 3.26Å; D536-S646 VanDerWaalsContact CG-C 3.42Å; D536-S646 VanDerWaalsContact CG-O 3.22Å; D536-S646 WeakPolarHBondContact OD1-CB 3.37Å; D536-S646 PolarHBondContact OD1-OG 3.38Å; D536-N647 PolarHBondContact OD1-N 2.89Å; D536-R648 WeakPolarHBondContact OD2-CB 3.48Å; D536-R648 PolarHBondContact OD2-N 3.12Å
537	G	61.4	Low	77.6	Confident	40 Å²	40	53.8 Å²	53.8	41%	0.412	28%	0.277	S	S	.	.	S	Bend	trans	75.4	13.3	-171.6	0	0	0	0	0	113.1	D534	D534-G537 VanDerWaalsContact O-CA 3.25Å; D534-G537 WeakPolarHBondContact O-CA 3.35Å; D534-G537 PolarHBondContact O-N 3.43Å; D534-G537 PolarHBondContact OD1-N 2.93Å
538	H	62.5	Low	77.8	Confident	21 Å²	21	49.4 Å²	49.4	10%	0.097	26%	0.256	C	S	.	.			trans	-89.7	148	179.6	-177.1	76	0	0	0	111.1	A533 D534 D536 R626 K641 R643	A533-H538 CarbonylContact C-O 3.59Å; A533-H538 VanDerWaalsContact CA-O 3.25Å; A533-H538 WeakPolarHBondContact CA-O 3.43Å; D534-H538 PolarHBondContact N-O 3.06Å; D534-H538 WeakPolarHBondContact OD1-CA 3.48Å; D534-H538 VanDerWaalsContact OD1-CB 3.27Å; D534-H538 WeakPolarHBondContact OD1-CB 3.43Å; D534-H538 PolarHBondContact OD1-N 3.22Å; D534-H538 IonicContact OD2-CD2 3.95Å; D536-H538 VanDerWaalsContact C-N 3.26Å; H538-R626 PolarHBondContact CE1-NH1 2.89Å; H538-R626 VanDerWaalsContact CE1-NH1 3.32Å; H538-K641 PolarHBondContact ND1-O 3.44Å; H538-R643 HydrophobicContact CB-CG 4.29Å
539	N	74.9	Confident	78.1	Confident	5 Å²	5	52 Å²	52	3%	0.027	27%	0.266	C	S	.	.			trans	-122	113.9	180	-83.7	-92.9	0	0	0	108.7	K529 S543 L544 R626	K529-N539 PolarHBondContact O-ND2 3.1Å; K529-N539 PolarHBondContact O-OD1 3.08Å; K529-N539 VanDerWaalsContact O-OD1 3.07Å; N539-S543 VanDerWaalsContact C-OG 3.27Å; N539-S543 WeakPolarHBondContact CA-OG 3.42Å; N539-S543 WeakPolarHBondContact CB-OG 3.34Å; N539-S543 PolarHBondContact OD1-OG 2.76Å; N539-L544 HydrophobicContact CB-CD2 3.53Å; N539-L544 HydrophobicContact CB-CG 3.82Å; N539-R626 PolarHBondContact O-NH1 3.09Å; N539-R626 PolarHBondContact O-NH2 2.67Å
540	D	79.2	Confident	78.5	Confident	72 Å²	72	54.9 Å²	54.9	39%	0.385	28%	0.281	S	S	.	.			trans	-68.5	167	174.6	74.3	-96.2	0	0	0	111.3	W542 S543 L544	D540-W542 PolarHBondContact O-N 2.92Å; D540-W542 WeakPolarHBondContact OD2-CA 3.24Å; D540-W542 VanDerWaalsContact OD2-CB 3.25Å; D540-W542 WeakPolarHBondContact OD2-CB 3.35Å; D540-W542 PolarHBondContact OD2-N 3.25Å; D540-S543 PolarHBondContact N-OG 3.44Å; D540-S543 VanDerWaalsContact N-OG 3.09Å; D540-S543 PolarHBondContact O-N 3.47Å; D540-S543 VanDerWaalsContact O-N 3.12Å; D540-S543 PolarHBondContact O-OG 3.06Å; D540-S543 WeakPolarHBondContact OD1-CB 3.41Å; D540-S543 PolarHBondContact OD2-N 2.73Å; D540-S543 VanDerWaalsContact OD2-N 3.08Å; D540-L544 WeakPolarHBondContact O-CG 3.42Å; D540-L544 PolarHBondContact O-N 2.83Å
541	P	86.8	Confident	79.2	Confident	54 Å²	54	48.7 Å²	48.7	35%	0.351	25%	0.249	S	C	.	.	H	α-helix	trans	-52.7	-38.3	-179.8	-29	37.5	0	0	0	114.3	F545 M619 L623	P541-F545 WeakPolarHBondContact O-CB 3.5Å; P541-F545 PolarHBondContact O-N 2.82Å; P541-M619 HydrophobicContact CB-CG 4.29Å; P541-M619 HydrophobicContact CB-SD 4.22Å; P541-M619 WeakPolarHBondContact O-CG 3.45Å; P541-L623 HydrophobicContact CB-CD1 4.16Å; P541-L623 HydrophobicContact CG-CD1 4.22Å; P541-L623 HydrophobicContact CG-CD2 3.89Å
542	W	89.5	Confident	79.9	Confident	183 Å²	183	39 Å²	39	69%	0.693	21%	0.212	S	C	*	.	H	α-helix	trans	-75.1	-35.5	178.9	-76.7	121.6	0	0	0	112.5	D540 F545 S546	D540-W542 PolarHBondContact O-N 2.92Å; D540-W542 WeakPolarHBondContact OD2-CA 3.24Å; D540-W542 VanDerWaalsContact OD2-CB 3.25Å; D540-W542 WeakPolarHBondContact OD2-CB 3.35Å; D540-W542 PolarHBondContact OD2-N 3.25Å; W542-F545 HydrophobicContact CE3-CB 4.29Å; W542-F545 HydrophobicContact CE3-CD1 4.05Å; W542-F545 HydrophobicContact CE3-CG 4.29Å; W542-F545 HydrophobicContact CZ3-CD1 4.02Å; W542-F545 HydrophobicContact CZ3-CE1 4.39Å; W542-F545 HydrophobicContact CZ3-CG 4.3Å; W542-F545 PolarHBondContact O-N 3.24Å; W542-S546 VanDerWaalsContact O-CB 3.27Å; W542-S546 WeakPolarHBondContact O-CB 3.34Å; W542-S546 PolarHBondContact O-N 3.1Å; W542-S546 PolarHBondContact O-OG 2.89Å
543	S	88.5	Confident	80.5	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-40.2	174.3	95.7	0	0	0	0	111.4	N539 D540 S546 A547	N539-S543 VanDerWaalsContact C-OG 3.27Å; N539-S543 WeakPolarHBondContact CA-OG 3.42Å; N539-S543 WeakPolarHBondContact CB-OG 3.34Å; N539-S543 PolarHBondContact OD1-OG 2.76Å; D540-S543 PolarHBondContact N-OG 3.44Å; D540-S543 VanDerWaalsContact N-OG 3.09Å; D540-S543 PolarHBondContact O-N 3.47Å; D540-S543 VanDerWaalsContact O-N 3.12Å; D540-S543 PolarHBondContact O-OG 3.06Å; D540-S543 WeakPolarHBondContact OD1-CB 3.41Å; D540-S543 PolarHBondContact OD2-N 2.73Å; D540-S543 VanDerWaalsContact OD2-N 3.08Å; S543-S546 PolarHBondContact O-N 2.92Å; S543-A547 VanDerWaalsContact O-CB 3.3Å; S543-A547 WeakPolarHBondContact O-CB 3.41Å; S543-A547 PolarHBondContact O-N 3.13Å
544	L	89.6	Confident	81.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-49	172.7	-70.3	176	0	0	0	111.9	K529 N539 D540 S546 A547 A548 M619 E622	K529-L544 HydrophobicContact CD-CD2 3.81Å; K529-L544 HydrophobicContact CG-CD2 4.31Å; N539-L544 HydrophobicContact CB-CD2 3.53Å; N539-L544 HydrophobicContact CB-CG 3.82Å; D540-L544 WeakPolarHBondContact O-CG 3.42Å; D540-L544 PolarHBondContact O-N 2.83Å; L544-S546 VanDerWaalsContact C-N 3.32Å; L544-S546 PolarHBondContact O-N 3Å; L544-A547 PolarHBondContact O-N 2.82Å; L544-A548 WeakPolarHBondContact O-CB 3.38Å; L544-A548 PolarHBondContact O-N 3.16Å; L544-M619 HydrophobicContact CB-CB 4.38Å; L544-E622 HydrophobicContact CD1-CB 3.86Å; L544-E622 VanDerWaalsContact CD2-OE2 3.26Å; L544-E622 WeakPolarHBondContact CD2-OE2 3.47Å
545	F	93.6	Very high	83.1	Confident	41 Å²	41	37.2 Å²	37.2	18%	0.18	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-47.1	176.3	174.7	-91.3	0	0	0	111	P541 W542 A548 F549 V616 M619	P541-F545 WeakPolarHBondContact O-CB 3.5Å; P541-F545 PolarHBondContact O-N 2.82Å; W542-F545 HydrophobicContact CE3-CB 4.29Å; W542-F545 HydrophobicContact CE3-CD1 4.05Å; W542-F545 HydrophobicContact CE3-CG 4.29Å; W542-F545 HydrophobicContact CZ3-CD1 4.02Å; W542-F545 HydrophobicContact CZ3-CE1 4.39Å; W542-F545 HydrophobicContact CZ3-CG 4.3Å; W542-F545 PolarHBondContact O-N 3.24Å; F545-A548 PolarHBondContact O-N 3.24Å; F545-F549 HydrophobicContact CE1-CB 4.38Å; F545-F549 HydrophobicContact CE1-CD2 4.18Å; F545-F549 AromaticContact CZ-CD2 3.99Å; F545-F549 HydrophobicContact CZ-CD2 3.99Å; F545-F549 WeakPolarHBondContact O-CB 3.13Å; F545-F549 PolarHBondContact O-N 3.38Å; F545-V616 HydrophobicContact CD2-CG2 4.25Å; F545-V616 HydrophobicContact CE2-CG2 3.92Å; F545-M619 HydrophobicContact CB-CB 4.46Å; F545-M619 HydrophobicContact CB-SD 4.07Å
546	S	93.8	Very high	85.1	Confident	38 Å²	38	34.8 Å²	34.8	27%	0.266	19%	0.186	S	C	.	.	H	α-helix	trans	-65.2	-45.5	-177.7	-59.4	0	0	0	0	111.9	W542 S543 L544 A548 F549 I550	W542-S546 VanDerWaalsContact O-CB 3.27Å; W542-S546 WeakPolarHBondContact O-CB 3.34Å; W542-S546 PolarHBondContact O-N 3.1Å; W542-S546 PolarHBondContact O-OG 2.89Å; S543-S546 PolarHBondContact O-N 2.92Å; L544-S546 VanDerWaalsContact C-N 3.32Å; L544-S546 PolarHBondContact O-N 3Å; S546-A548 PolarHBondContact O-N 2.84Å; S546-F549 PolarHBondContact O-N 3.05Å; S546-I550 WeakPolarHBondContact O-CB 3.48Å; S546-I550 VanDerWaalsContact O-CG1 3.32Å; S546-I550 WeakPolarHBondContact O-CG1 3.41Å; S546-I550 PolarHBondContact O-N 3.18Å
547	A	92.5	Very high	87.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-46.7	176.1	0	0	0	0	0	111.7	Y525 A528 K529 F532 S543 L544 A551	Y525-A547 HydrophobicContact CD2-CB 4.11Å; Y525-A547 HydrophobicContact CE2-CB 4Å; A528-A547 HydrophobicContact CB-CB 3.84Å; K529-A547 HydrophobicContact CG-CB 3.9Å; F532-A547 HydrophobicContact CD2-CB 3.91Å; S543-A547 VanDerWaalsContact O-CB 3.3Å; S543-A547 WeakPolarHBondContact O-CB 3.41Å; S543-A547 PolarHBondContact O-N 3.13Å; L544-A547 PolarHBondContact O-N 2.82Å; A547-A551 VanDerWaalsContact O-CB 3.3Å; A547-A551 WeakPolarHBondContact O-CB 3.43Å; A547-A551 PolarHBondContact O-N 2.97Å
548	A	92.9	Very high	88.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-39.7	178.2	0	0	0	0	0	112.5	Y525 L544 F545 S546 G552 L618	Y525-A548 HydrophobicContact CD2-CB 3.81Å; Y525-A548 HydrophobicContact CE2-CB 3.58Å; L544-A548 WeakPolarHBondContact O-CB 3.38Å; L544-A548 PolarHBondContact O-N 3.16Å; F545-A548 PolarHBondContact O-N 3.24Å; S546-A548 PolarHBondContact O-N 2.84Å; A548-G552 PolarHBondContact O-N 3.33Å; A548-L618 HydrophobicContact CB-CB 4.1Å; A548-L618 HydrophobicContact CB-CD1 4.03Å; A548-L618 HydrophobicContact CB-CG 4.5Å
549	F	94.2	Very high	89.6	Confident	67 Å²	67	35.9 Å²	35.9	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-61.8	-49.6	176.3	-175.1	-79.6	0	0	0	111.3	F545 S546 G552 V553 S611 P612	F545-F549 HydrophobicContact CE1-CB 4.38Å; F545-F549 HydrophobicContact CE1-CD2 4.18Å; F545-F549 AromaticContact CZ-CD2 3.99Å; F545-F549 HydrophobicContact CZ-CD2 3.99Å; F545-F549 WeakPolarHBondContact O-CB 3.13Å; F545-F549 PolarHBondContact O-N 3.38Å; S546-F549 PolarHBondContact O-N 3.05Å; F549-G552 PolarHBondContact O-N 2.89Å; F549-G552 VanDerWaalsContact O-N 3.14Å; F549-V553 HydrophobicContact CD1-CG2 4.49Å; F549-V553 HydrophobicContact CE1-CG2 4.31Å; F549-V553 PolarHBondContact O-N 3.4Å; F549-S611 WeakPolarHBondContact O-CB 3.49Å; F549-S611 PolarHBondContact O-OG 3.4Å; F549-P612 HydrophobicContact CD2-CG 4.4Å; F549-P612 HydrophobicContact CE2-CB 4.4Å; F549-P612 HydrophobicContact CE2-CG 3.85Å
550	I	93.8	Very high	90.2	Very high	76 Å²	76	35.9 Å²	35.9	39%	0.39	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-43.5	-179.5	-72.8	163.8	0	0	0	110.5	F532 S546 G552 V553 P554	F532-I550 HydrophobicContact CE2-CD1 3.42Å; F532-I550 VanDerWaalsContact CE2-CD1 3.42Å; F532-I550 HydrophobicContact CZ-CD1 3.4Å; F532-I550 VanDerWaalsContact CZ-CD1 3.4Å; S546-I550 WeakPolarHBondContact O-CB 3.48Å; S546-I550 VanDerWaalsContact O-CG1 3.32Å; S546-I550 WeakPolarHBondContact O-CG1 3.41Å; S546-I550 PolarHBondContact O-N 3.18Å; I550-G552 PolarHBondContact O-N 3.13Å; I550-V553 PolarHBondContact O-N 3.29Å; I550-P554 WeakPolarHBondContact O-CD 3.39Å
551	A	93.6	Very high	90.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-32.2	174.6	0	0	0	0	0	112.8	Y521 L524 A547 V553 A555	Y521-A551 HydrophobicContact CD2-CB 4.2Å; Y521-A551 HydrophobicContact CE2-CB 4.03Å; L524-A551 HydrophobicContact CB-CB 3.88Å; A547-A551 VanDerWaalsContact O-CB 3.3Å; A547-A551 WeakPolarHBondContact O-CB 3.43Å; A547-A551 PolarHBondContact O-N 2.97Å; A551-V553 VanDerWaalsContact C-N 3.31Å; A551-V553 PolarHBondContact O-N 2.87Å; A551-A555 WeakPolarHBondContact O-CB 3.41Å
552	G	92	Very high	90.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-28.6	177	0	0	0	0	0	114.5	A548 F549 I550 A556 S611	A548-G552 PolarHBondContact O-N 3.33Å; F549-G552 PolarHBondContact O-N 2.89Å; F549-G552 VanDerWaalsContact O-N 3.14Å; I550-G552 PolarHBondContact O-N 3.13Å; G552-A556 WeakPolarHBondContact O-CB 3.4Å; G552-A556 PolarHBondContact O-N 3.14Å; G552-S611 WeakPolarHBondContact CA-OG 3.33Å
553	V	93.1	Very high	89.5	Confident	53 Å²	53	26 Å²	26	32%	0.321	15%	0.147	S	C	.	.	H	α-helix	trans	-67.2	-60.4	-174.8	-179.8	0	0	0	0	112.4	F549 I550 A551 A555 A556 G557 I607 S611	F549-V553 HydrophobicContact CD1-CG2 4.49Å; F549-V553 HydrophobicContact CE1-CG2 4.31Å; F549-V553 PolarHBondContact O-N 3.4Å; I550-V553 PolarHBondContact O-N 3.29Å; A551-V553 VanDerWaalsContact C-N 3.31Å; A551-V553 PolarHBondContact O-N 2.87Å; V553-A555 VanDerWaalsContact C-N 3.35Å; V553-A555 PolarHBondContact O-N 3.12Å; V553-A556 PolarHBondContact O-N 3.35Å; V553-G557 PolarHBondContact O-N 3.08Å; V553-I607 HydrophobicContact CB-CG2 4.38Å; V553-I607 HydrophobicContact CG1-CD1 4.21Å; V553-I607 HydrophobicContact CG1-CG1 4.49Å; V553-I607 HydrophobicContact CG1-CG2 4.16Å; V553-I607 HydrophobicContact CG2-CG2 3.97Å; V553-S611 PolarHBondContact N-OG 2.88Å
554	P	90.8	Very high	89.2	Confident	45 Å²	45	26.2 Å²	26.2	29%	0.292	15%	0.148	S	C	.	.	H	α-helix	trans	-67.6	-34.6	178.6	28.8	-35.7	0	0	0	111.8	L524 I550 A556 G557 I558	L524-P554 HydrophobicContact CD1-CB 4.12Å; L524-P554 HydrophobicContact CD1-CG 3.32Å; I550-P554 WeakPolarHBondContact O-CD 3.39Å; P554-A556 VanDerWaalsContact C-N 3.31Å; P554-A556 PolarHBondContact O-N 3Å; P554-G557 PolarHBondContact O-N 3.13Å; P554-I558 HydrophobicContact CB-CD1 4.18Å; P554-I558 VanDerWaalsContact O-CB 3.28Å; P554-I558 WeakPolarHBondContact O-CB 3.37Å; P554-I558 VanDerWaalsContact O-CG1 3.3Å; P554-I558 WeakPolarHBondContact O-CG1 3.42Å; P554-I558 PolarHBondContact O-N 3.42Å
555	A	91	Very high	88.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-42.7	174.8	0	0	0	0	0	111.6	F517 I520 Y521 A551 V553 C559	F517-A555 HydrophobicContact CD2-CB 3.95Å; F517-A555 WeakPolarHBondContact CD2-O 3.44Å; F517-A555 HydrophobicContact CE2-CB 3.69Å; F517-A555 HydrophobicContact CZ-CB 4.13Å; I520-A555 HydrophobicContact CB-CB 4.44Å; I520-A555 HydrophobicContact CG2-CB 4.02Å; Y521-A555 HydrophobicContact CD2-CB 4.14Å; Y521-A555 HydrophobicContact CG-CB 4.49Å; A551-A555 WeakPolarHBondContact O-CB 3.41Å; V553-A555 VanDerWaalsContact C-N 3.35Å; V553-A555 PolarHBondContact O-N 3.12Å; A555-C559 VanDerWaalsContact O-CB 3.27Å; A555-C559 WeakPolarHBondContact O-CB 3.48Å; A555-C559 PolarHBondContact O-N 3.08Å; A555-C559 PolarHBondContact O-SG 3.37Å
556	A	89	Confident	87.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-72.4	-43.7	174.6	0	0	0	0	0	112.5	F517 G552 V553 P554 T560 R606 I607 S610	F517-A556 HydrophobicContact CE2-CB 4.46Å; G552-A556 WeakPolarHBondContact O-CB 3.4Å; G552-A556 PolarHBondContact O-N 3.14Å; V553-A556 PolarHBondContact O-N 3.35Å; P554-A556 VanDerWaalsContact C-N 3.31Å; P554-A556 PolarHBondContact O-N 3Å; A556-T560 PolarHBondContact O-N 3.39Å; A556-T560 PolarHBondContact O-OG1 3.45Å; A556-R606 HydrophobicContact CB-CG 3.99Å; A556-R606 WeakPolarHBondContact O-CD 3.25Å; A556-I607 HydrophobicContact CB-CG1 3.79Å; A556-S610 WeakPolarHBondContact CB-OG 3.35Å
557	G	88.2	Confident	86.8	Confident	7 Å²	7	27.8 Å²	27.8	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-54.5	-178.3	0	0	0	0	0	112.6	V553 P554 C559 T560 W600	V553-G557 PolarHBondContact O-N 3.08Å; P554-G557 PolarHBondContact O-N 3.13Å; G557-C559 VanDerWaalsContact C-N 3.3Å; G557-C559 PolarHBondContact O-N 3.42Å; G557-T560 VanDerWaalsContact O-CB 3.31Å; G557-T560 WeakPolarHBondContact O-CB 3.34Å; G557-T560 PolarHBondContact O-N 3.13Å; G557-T560 PolarHBondContact O-OG1 2.86Å; G557-W600 PolarHBondContact O-NE1 3.02Å
558	I	89.3	Confident	86	Confident	98 Å²	98	31.4 Å²	31.4	50%	0.503	17%	0.17	S	C	.	.	H	α-helix	trans	-66.5	-32.2	-177.1	-63.2	169.7	0	0	0	111.5	I520 P554 T560 P561	I520-I558 HydrophobicContact CD1-CB 4.3Å; I520-I558 HydrophobicContact CD1-CG2 3.94Å; P554-I558 HydrophobicContact CB-CD1 4.18Å; P554-I558 VanDerWaalsContact O-CB 3.28Å; P554-I558 WeakPolarHBondContact O-CB 3.37Å; P554-I558 VanDerWaalsContact O-CG1 3.3Å; P554-I558 WeakPolarHBondContact O-CG1 3.42Å; P554-I558 PolarHBondContact O-N 3.42Å; I558-T560 VanDerWaalsContact C-N 3.3Å; I558-T560 PolarHBondContact O-N 2.91Å; I558-P561 WeakPolarHBondContact O-CD 3.39Å
559	C	86.2	Confident	84.9	Confident	7 Å²	7	34.8 Å²	34.8	5%	0.047	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.8	175.6	-62.4	0	0	0	0	113.9	F517 A555 G557 R606	F517-C559 PolarHBondContact N-SG 2.91Å; A555-C559 VanDerWaalsContact O-CB 3.27Å; A555-C559 WeakPolarHBondContact O-CB 3.48Å; A555-C559 PolarHBondContact O-N 3.08Å; A555-C559 PolarHBondContact O-SG 3.37Å; G557-C559 VanDerWaalsContact C-N 3.3Å; G557-C559 PolarHBondContact O-N 3.42Å; C559-R606 PolarHBondContact O-NH1 3.39Å
560	T	85.9	Confident	83.4	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-72.3	-45.6	178.1	-63.2	0	0	0	0	113.6	A556 G557 I558 D563 V564	A556-T560 PolarHBondContact O-N 3.39Å; A556-T560 PolarHBondContact O-OG1 3.45Å; G557-T560 VanDerWaalsContact O-CB 3.31Å; G557-T560 WeakPolarHBondContact O-CB 3.34Å; G557-T560 PolarHBondContact O-N 3.13Å; G557-T560 PolarHBondContact O-OG1 2.86Å; I558-T560 VanDerWaalsContact C-N 3.3Å; I558-T560 PolarHBondContact O-N 2.91Å; T560-D563 WeakPolarHBondContact O-CA 3.4Å; T560-D563 WeakPolarHBondContact O-CB 3.44Å; T560-D563 PolarHBondContact O-N 3.27Å; T560-V564 HydrophobicContact CG2-CG2 4.02Å; T560-V564 PolarHBondContact O-N 3.43Å
561	P	84.7	Confident	82	Confident	23 Å²	23	38.7 Å²	38.7	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-47.1	-179.9	-25.9	33.9	0	0	0	114.6	I558 D563 V564 V565 F599 W600	I558-P561 WeakPolarHBondContact O-CD 3.39Å; P561-D563 PolarHBondContact O-N 3.19Å; P561-V564 PolarHBondContact O-N 3.33Å; P561-V565 WeakPolarHBondContact O-CG2 3.26Å; P561-V565 PolarHBondContact O-N 3.36Å; P561-F599 WeakPolarHBondContact CA-O 3.39Å; P561-F599 HydrophobicContact CB-CB 3.93Å; P561-F599 HydrophobicContact CB-CD1 4.11Å; P561-F599 HydrophobicContact CB-CG 4.4Å; P561-F599 HydrophobicContact CG-CB 4.1Å; P561-W600 HydrophobicContact CB-CZ3 4.5Å; P561-W600 HydrophobicContact CG-CD2 4.21Å; P561-W600 HydrophobicContact CG-CE3 3.62Å; P561-W600 HydrophobicContact CG-CH2 3.57Å; P561-W600 HydrophobicContact CG-CZ2 4.17Å; P561-W600 HydrophobicContact CG-CZ3 3.27Å
562	P	81.1	Confident	80.1	Confident	54 Å²	54	42.5 Å²	42.5	35%	0.351	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-35.5	175.2	-24.1	35.5	0	0	0	112.9	V565 K566	P562-V565 PolarHBondContact O-N 2.94Å; P562-K566 VanDerWaalsContact O-CB 3.26Å; P562-K566 WeakPolarHBondContact O-CB 3.47Å; P562-K566 PolarHBondContact O-N 3.03Å
563	D	76.7	Confident	78	Confident	25 Å²	25	52 Å²	52	13%	0.134	29%	0.285	C	S	.	.	H	α-helix	trans	-73.7	-35.1	177.9	-81.2	-44.2	0	0	0	112.8	T560 P561 K566 T567 R606	T560-D563 WeakPolarHBondContact O-CA 3.4Å; T560-D563 WeakPolarHBondContact O-CB 3.44Å; T560-D563 PolarHBondContact O-N 3.27Å; P561-D563 PolarHBondContact O-N 3.19Å; D563-K566 PolarHBondContact O-N 3.22Å; D563-T567 WeakPolarHBondContact O-CB 3.1Å; D563-T567 VanDerWaalsContact O-CG2 3.29Å; D563-T567 WeakPolarHBondContact O-CG2 3.39Å; D563-T567 PolarHBondContact O-N 3.36Å; D563-T567 PolarHBondContact O-OG1 2.94Å; D563-R606 IonicContact OD2-CZ 2.76Å; D563-R606 IonicContact OD2-NH1 2.67Å; D563-R606 PolarHBondContact OD2-NH1 3.24Å; D563-R606 IonicContact OD2-NH2 3.13Å; D563-R606 PolarHBondContact OD2-NH2 3.24Å
564	V	81.4	Confident	75.9	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-46.9	170.9	173.7	0	0	0	0	109.9	T560 P561 K566 T567 R568 F599	T560-V564 HydrophobicContact CG2-CG2 4.02Å; T560-V564 PolarHBondContact O-N 3.43Å; P561-V564 PolarHBondContact O-N 3.33Å; V564-K566 PolarHBondContact O-N 2.84Å; V564-T567 WeakPolarHBondContact CA-OG1 3.25Å; V564-T567 PolarHBondContact O-N 3.38Å; V564-T567 PolarHBondContact O-OG1 3.38Å; V564-R568 HydrophobicContact CG1-CG 4.35Å; V564-R568 WeakPolarHBondContact O-CB 3.43Å; V564-R568 VanDerWaalsContact O-CG 3.23Å; V564-R568 WeakPolarHBondContact O-CG 3.36Å; V564-R568 PolarHBondContact O-N 3.21Å; V564-F599 WeakPolarHBondContact CG2-O 3.27Å
565	V	78.5	Confident	73.6	Confident	6 Å²	6	63.5 Å²	63.5	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-44.1	178.5	175.9	0	0	0	0	111	P561 P562 R568 L569 L583 C586 F599	P561-V565 WeakPolarHBondContact O-CG2 3.26Å; P561-V565 PolarHBondContact O-N 3.36Å; P562-V565 PolarHBondContact O-N 2.94Å; V565-R568 PolarHBondContact O-N 3.12Å; V565-L569 HydrophobicContact CG1-CD1 3.93Å; V565-L569 HydrophobicContact CG1-CG 4.49Å; V565-L569 WeakPolarHBondContact O-CB 2.97Å; V565-L569 VanDerWaalsContact O-CG 3.29Å; V565-L569 WeakPolarHBondContact O-CG 3.34Å; V565-L569 PolarHBondContact O-N 3.31Å; V565-L583 HydrophobicContact CG1-CD1 3.41Å; V565-L583 VanDerWaalsContact CG1-CD1 3.41Å; V565-L583 HydrophobicContact CG1-CG 4.39Å; V565-C586 HydrophobicContact CG1-CB 4.13Å; V565-F599 HydrophobicContact CG2-CD1 4.12Å; V565-F599 HydrophobicContact CG2-CE1 3.77Å
566	K	74.9	Confident	71.8	Confident	33 Å²	33	67.4 Å²	67.4	14%	0.143	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-49.3	175.2	174.2	-176.9	167.5	177.3	0	111.9	A509 P562 D563 V564 L569 Q570	A509-K566 VanDerWaalsContact C-NZ 3.33Å; A509-K566 HydrophobicContact CB-CD 3.86Å; A509-K566 HydrophobicContact CB-CG 4.46Å; A509-K566 PolarHBondContact O-NZ 3.3Å; P562-K566 VanDerWaalsContact O-CB 3.26Å; P562-K566 WeakPolarHBondContact O-CB 3.47Å; P562-K566 PolarHBondContact O-N 3.03Å; D563-K566 PolarHBondContact O-N 3.22Å; V564-K566 PolarHBondContact O-N 2.84Å; K566-L569 PolarHBondContact O-N 3.42Å; K566-Q570 WeakPolarHBondContact O-CB 3.35Å; K566-Q570 VanDerWaalsContact O-CG 3.25Å; K566-Q570 WeakPolarHBondContact O-CG 3.35Å; K566-Q570 PolarHBondContact O-N 3.36Å
567	T	73	Confident	70.3	Confident	73 Å²	73	71.1 Å²	71.1	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-63.8	-42.2	-179.7	50.1	0	0	0	0	111.3	D563 V564 L569 Q570 V571	D563-T567 WeakPolarHBondContact O-CB 3.1Å; D563-T567 VanDerWaalsContact O-CG2 3.29Å; D563-T567 WeakPolarHBondContact O-CG2 3.39Å; D563-T567 PolarHBondContact O-N 3.36Å; D563-T567 PolarHBondContact O-OG1 2.94Å; V564-T567 WeakPolarHBondContact CA-OG1 3.25Å; V564-T567 PolarHBondContact O-N 3.38Å; V564-T567 PolarHBondContact O-OG1 3.38Å; T567-L569 PolarHBondContact O-N 3.02Å; T567-Q570 PolarHBondContact O-N 2.96Å; T567-Q570 VanDerWaalsContact O-N 3.12Å; T567-V571 WeakPolarHBondContact O-CG2 3.43Å; T567-V571 PolarHBondContact O-N 2.86Å; T567-V571 VanDerWaalsContact O-N 3.1Å
568	R	76.1	Confident	69	Low	76 Å²	76	74.1 Å²	74.1	29%	0.287	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-37.6	175.9	-67	-66.1	-179.1	135.1	16.1	113.2	V564 V565 Q570 Y580 E594	V564-R568 HydrophobicContact CG1-CG 4.35Å; V564-R568 WeakPolarHBondContact O-CB 3.43Å; V564-R568 VanDerWaalsContact O-CG 3.23Å; V564-R568 WeakPolarHBondContact O-CG 3.36Å; V564-R568 PolarHBondContact O-N 3.21Å; V565-R568 PolarHBondContact O-N 3.12Å; R568-Q570 VanDerWaalsContact C-N 3.31Å; R568-Y580 HydrophobicContact CB-CD2 4.47Å; R568-Y580 HydrophobicContact CB-CE2 4.02Å; R568-E594 IonicContact CZ-OE1 3.43Å; R568-E594 IonicContact CZ-OE2 3.81Å; R568-E594 IonicContact NH1-OE1 3.03Å; R568-E594 PolarHBondContact NH1-OE1 3.37Å; R568-E594 VanDerWaalsContact NH2-CD 3.27Å; R568-E594 IonicContact NH2-OE1 3.61Å; R568-E594 PolarHBondContact NH2-OE1 3.3Å; R568-E594 IonicContact NH2-OE2 2.87Å; R568-E594 PolarHBondContact NH2-OE2 2.86Å
569	L	69.1	Low	68	Low	71 Å²	71	74.8 Å²	74.8	37%	0.372	41%	0.414	S	S	.	.	H	α-helix	trans	-69.8	-27.2	173.4	-73.6	170.4	0	0	0	113	V565 K566 T567 L583 C586	V565-L569 HydrophobicContact CG1-CD1 3.93Å; V565-L569 HydrophobicContact CG1-CG 4.49Å; V565-L569 WeakPolarHBondContact O-CB 2.97Å; V565-L569 VanDerWaalsContact O-CG 3.29Å; V565-L569 WeakPolarHBondContact O-CG 3.34Å; V565-L569 PolarHBondContact O-N 3.31Å; K566-L569 PolarHBondContact O-N 3.42Å; T567-L569 PolarHBondContact O-N 3.02Å; L569-L583 HydrophobicContact CD1-CD1 3.99Å; L569-C586 HydrophobicContact CD2-CB 3.95Å; L569-C586 HydrophobicContact CG-CB 4.15Å
570	Q	63.6	Low	67.2	Low	124 Å²	124	76.7 Å²	76.7	58%	0.579	42%	0.42	S	S	*	.	H	α-helix	trans	-86.7	-16.8	-179.1	-75	180	-6.2	0	0	114.2	K566 T567 R568 A572	K566-Q570 WeakPolarHBondContact O-CB 3.35Å; K566-Q570 VanDerWaalsContact O-CG 3.25Å; K566-Q570 WeakPolarHBondContact O-CG 3.35Å; K566-Q570 PolarHBondContact O-N 3.36Å; T567-Q570 PolarHBondContact O-N 2.96Å; T567-Q570 VanDerWaalsContact O-N 3.12Å; R568-Q570 VanDerWaalsContact C-N 3.31Å; Q570-A572 PolarHBondContact O-N 3.27Å
571	V	64	Low	66.6	Low	101 Å²	101	81.7 Å²	81.7	61%	0.612	46%	0.456	S	S	*	.	S	Bend	trans	-64.8	121.6	175.2	173.6	0	0	0	0	109.2	T567	T567-V571 WeakPolarHBondContact O-CG2 3.43Å; T567-V571 PolarHBondContact O-N 2.86Å; T567-V571 VanDerWaalsContact O-N 3.1Å
572	A	54.3	Low	66.1	Low	80 Å²	80	82 Å²	82	66%	0.661	46%	0.463	S	S	*	.			trans	-58.4	143.7	-179.8	0	0	0	0	0	111.8	Q570 R574	Q570-A572 PolarHBondContact O-N 3.27Å; A572-R574 PolarHBondContact O-N 3.14Å
573	K	47.2	Very low	65.9	Low	201 Å²	201	84.3 Å²	84.3	87%	0.874	47%	0.472	S	S	*	.			trans	-55.3	99.5	-179	-63.1	178.8	-179.9	-179.5	0	111
574	R	49.6	Very low	66.1	Low	192 Å²	192	90.2 Å²	90.2	73%	0.725	50%	0.502	S	S	*	.			trans	-89.9	141	163.1	-76.9	-176	174.7	175.9	-1.9	109.3	A572 G576 T577	A572-R574 PolarHBondContact O-N 3.14Å; R574-G576 PolarHBondContact O-N 3.15Å; R574-T577 HydrophobicContact CB-CG2 4.47Å; R574-T577 PolarHBondContact O-OG1 3.13Å; R574-T577 VanDerWaalsContact O-OG1 3.06Å
575	T	41	Very low	66.3	Low	146 Å²	146	91.3 Å²	91.3	90%	0.896	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	129.3	171	34.2	0	0	0	0	109.4
576	G	54.7	Low	66.3	Low	83 Å²	83	91 Å²	91	86%	0.856	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	0.6	178.5	0	0	0	0	0	116.8	R574	R574-G576 PolarHBondContact O-N 3.15Å
577	T	56.7	Low	66.8	Low	77 Å²	77	91.5 Å²	91.5	47%	0.472	51%	0.514	S	S	.	.	S	Bend	trans	-107.2	148.3	175.8	54.5	0	0	0	0	112.3	R574 H579	R574-T577 HydrophobicContact CB-CG2 4.47Å; R574-T577 PolarHBondContact O-OG1 3.13Å; R574-T577 VanDerWaalsContact O-OG1 3.06Å; T577-H579 PolarHBondContact O-CE1 3.23Å; T577-H579 VanDerWaalsContact O-CE1 3.29Å; T577-H579 PolarHBondContact O-N 3.27Å; T577-H579 PolarHBondContact O-ND1 2.99Å
578	T	59.9	Low	67.5	Low	71 Å²	71	97.3 Å²	97.3	44%	0.436	53%	0.527	S	S	.	.			trans	-56.9	122.4	-178.7	43.3	0	0	0	0	111.6	E593	T578-E593 WeakPolarHBondContact CB-OE2 3.22Å; T578-E593 VanDerWaalsContact CG2-OE1 3.32Å; T578-E593 WeakPolarHBondContact CG2-OE1 2.9Å; T578-E593 VanDerWaalsContact CG2-OE2 3.32Å; T578-E593 WeakPolarHBondContact CG2-OE2 3.32Å; T578-E593 PolarHBondContact OG1-OE2 3.32Å
579	H	69.2	Low	68	Low	112 Å²	112	96.5 Å²	96.5	52%	0.519	53%	0.526	S	S	.	.			trans	-87.6	145.2	-173.7	-60.2	-59.5	0	0	0	110.6	T577 K589	T577-H579 PolarHBondContact O-CE1 3.23Å; T577-H579 VanDerWaalsContact O-CE1 3.29Å; T577-H579 PolarHBondContact O-N 3.27Å; T577-H579 PolarHBondContact O-ND1 2.99Å; H579-K589 VanDerWaalsContact O-CD 3.25Å; H579-K589 WeakPolarHBondContact O-CD 2.95Å; H579-K589 WeakPolarHBondContact O-CE 3.33Å; H579-K589 PolarHBondContact O-NZ 3.38Å
580	Y	69.3	Low	68.7	Low	46 Å²	46	93.1 Å²	93.1	18%	0.18	51%	0.508	C	S	.	.			trans	-118.4	116.8	176.1	-54.2	-65.4	0	0	0	109.7	R568 G582 D585 C586 K589 V590	R568-Y580 HydrophobicContact CB-CD2 4.47Å; R568-Y580 HydrophobicContact CB-CE2 4.02Å; Y580-G582 VanDerWaalsContact C-N 3.34Å; Y580-D585 WeakPolarHBondContact CA-OD2 3.11Å; Y580-C586 HydrophobicContact CD1-CB 3.85Å; Y580-C586 HydrophobicContact CE1-CB 4.47Å; Y580-C586 HydrophobicContact CG-CB 3.92Å; Y580-K589 HydrophobicContact CD1-CB 4.01Å; Y580-K589 HydrophobicContact CD1-CD 3.83Å; Y580-K589 HydrophobicContact CE1-CB 3.58Å; Y580-K589 HydrophobicContact CE1-CD 4.08Å; Y580-K589 HydrophobicContact CE1-CG 4.48Å; Y580-V590 HydrophobicContact CE1-CG2 4.24Å
581	S	73.4	Confident	69.8	Low	111 Å²	111	94.5 Å²	94.5	78%	0.776	51%	0.508	S	S	*	.	S	Bend	trans	-80.5	-16.3	-179.4	63.9	0	0	0	0	113.4	D585	S581-D585 PolarHBondContact N-OD2 2.91Å; S581-D585 VanDerWaalsContact OG-CB 3.28Å; S581-D585 WeakPolarHBondContact OG-CB 3.49Å; S581-D585 PolarHBondContact OG-OD2 2.93Å
582	G	74.8	Confident	70.9	Confident	29 Å²	29	100.3 Å²	100.3	30%	0.299	52%	0.519	S	S	.	.	S	Bend	trans	-178.5	-177.6	179.7	0	0	0	0	0	112.4	Y580 L584 D585 C586	Y580-G582 VanDerWaalsContact C-N 3.34Å; G582-L584 PolarHBondContact O-N 2.8Å; G582-D585 PolarHBondContact O-N 3.18Å; G582-C586 WeakPolarHBondContact O-CB 3.38Å; G582-C586 PolarHBondContact O-N 3.23Å
583	L	76.1	Confident	72.4	Confident	103 Å²	103	100.9 Å²	100.9	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-57.6	-50	-177.3	-171.4	76.5	0	0	0	112.4	V565 L569 C586 C587	V565-L583 HydrophobicContact CG1-CD1 3.41Å; V565-L583 VanDerWaalsContact CG1-CD1 3.41Å; V565-L583 HydrophobicContact CG1-CG 4.39Å; L569-L583 HydrophobicContact CD1-CD1 3.99Å; L583-C586 WeakPolarHBondContact O-CB 3.42Å; L583-C586 PolarHBondContact O-N 3.24Å; L583-C587 PolarHBondContact O-N 3.23Å; L583-C587 PolarHBondContact O-SG 2.78Å; L583-C587 VanDerWaalsContact O-SG 3.34Å
584	L	81.9	Confident	74	Confident	148 Å²	148	94.3 Å²	94.3	78%	0.775	48%	0.48	S	S	*	.	H	α-helix	trans	-67.1	-37.4	-179.4	-69.1	171.8	0	0	0	112.4	G582 C587 R588	G582-L584 PolarHBondContact O-N 2.8Å; L584-C587 PolarHBondContact O-N 3.4Å; L584-R588 VanDerWaalsContact O-CB 3.3Å; L584-R588 WeakPolarHBondContact O-CB 3.24Å; L584-R588 PolarHBondContact O-N 2.69Å
585	D	84	Confident	75.7	Confident	34 Å²	34	86.5 Å²	86.5	18%	0.182	46%	0.46	C	S	.	.	H	α-helix	trans	-66.3	-40.5	175.5	-175.4	50.5	0	0	0	111.2	Y580 S581 G582 R588 K589	Y580-D585 WeakPolarHBondContact CA-OD2 3.11Å; S581-D585 PolarHBondContact N-OD2 2.91Å; S581-D585 VanDerWaalsContact OG-CB 3.28Å; S581-D585 WeakPolarHBondContact OG-CB 3.49Å; S581-D585 PolarHBondContact OG-OD2 2.93Å; G582-D585 PolarHBondContact O-N 3.18Å; D585-R588 PolarHBondContact O-N 3.43Å; D585-K589 VanDerWaalsContact CG-NZ 3.34Å; D585-K589 WeakPolarHBondContact O-CB 3.49Å; D585-K589 WeakPolarHBondContact O-CG 3.45Å; D585-K589 PolarHBondContact O-N 2.79Å; D585-K589 WeakPolarHBondContact OD1-CE 3.13Å; D585-K589 IonicContact OD1-NZ 3.76Å; D585-K589 PolarHBondContact OD1-NZ 3Å; D585-K589 IonicContact OD2-NZ 3.94Å; D585-K589 PolarHBondContact OD2-NZ 3.11Å
586	C	80.3	Confident	77.8	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-58.2	-53	171.5	-170.5	0	0	0	0	112.1	V565 L569 Y580 G582 L583 R588 K589 V590	V565-C586 HydrophobicContact CG1-CB 4.13Å; L569-C586 HydrophobicContact CD2-CB 3.95Å; L569-C586 HydrophobicContact CG-CB 4.15Å; Y580-C586 HydrophobicContact CD1-CB 3.85Å; Y580-C586 HydrophobicContact CE1-CB 4.47Å; Y580-C586 HydrophobicContact CG-CB 3.92Å; G582-C586 WeakPolarHBondContact O-CB 3.38Å; G582-C586 PolarHBondContact O-N 3.23Å; L583-C586 WeakPolarHBondContact O-CB 3.42Å; L583-C586 PolarHBondContact O-N 3.24Å; C586-R588 VanDerWaalsContact C-N 3.3Å; C586-R588 PolarHBondContact O-N 2.78Å; C586-K589 PolarHBondContact O-N 3.29Å; C586-V590 WeakPolarHBondContact O-CB 3.34Å; C586-V590 WeakPolarHBondContact O-CG2 3.16Å; C586-V590 PolarHBondContact O-N 2.79Å
587	C	84.7	Confident	79.2	Confident	44 Å²	44	84 Å²	84	30%	0.297	43%	0.429	S	S	.	.	H	α-helix	trans	-57.8	-44.1	177.4	-66.7	0	0	0	0	111.9	L583 L584 W591 F599	L583-C587 PolarHBondContact O-N 3.23Å; L583-C587 PolarHBondContact O-SG 2.78Å; L583-C587 VanDerWaalsContact O-SG 3.34Å; L584-C587 PolarHBondContact O-N 3.4Å; C587-W591 VanDerWaalsContact O-CB 3.27Å; C587-W591 WeakPolarHBondContact O-CB 3.4Å; C587-W591 PolarHBondContact O-N 3.26Å; C587-F599 HydrophobicContact CB-CZ 4.36Å; C587-F599 WeakPolarHBondContact O-CZ 3.33Å
588	R	88.3	Confident	80.5	Confident	194 Å²	194	80.4 Å²	80.4	73%	0.732	41%	0.406	S	S	*	.	H	α-helix	trans	-66.2	-45.3	-178.2	-166.5	-179.9	-143.8	162.5	6.5	112.4	L584 D585 C586 R592	L584-R588 VanDerWaalsContact O-CB 3.3Å; L584-R588 WeakPolarHBondContact O-CB 3.24Å; L584-R588 PolarHBondContact O-N 2.69Å; D585-R588 PolarHBondContact O-N 3.43Å; C586-R588 VanDerWaalsContact C-N 3.3Å; C586-R588 PolarHBondContact O-N 2.78Å; R588-R592 WeakPolarHBondContact O-CB 3.47Å; R588-R592 PolarHBondContact O-N 3.1Å
589	K	86.2	Confident	81.8	Confident	60 Å²	60	77.7 Å²	77.7	26%	0.261	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-45.4	178.7	-78.9	172.9	176	157.8	0	111.6	H579 Y580 D585 C586 W591 R592 E593	H579-K589 VanDerWaalsContact O-CD 3.25Å; H579-K589 WeakPolarHBondContact O-CD 2.95Å; H579-K589 WeakPolarHBondContact O-CE 3.33Å; H579-K589 PolarHBondContact O-NZ 3.38Å; Y580-K589 HydrophobicContact CD1-CB 4.01Å; Y580-K589 HydrophobicContact CD1-CD 3.83Å; Y580-K589 HydrophobicContact CE1-CB 3.58Å; Y580-K589 HydrophobicContact CE1-CD 4.08Å; Y580-K589 HydrophobicContact CE1-CG 4.48Å; D585-K589 VanDerWaalsContact CG-NZ 3.34Å; D585-K589 WeakPolarHBondContact O-CB 3.49Å; D585-K589 WeakPolarHBondContact O-CG 3.45Å; D585-K589 PolarHBondContact O-N 2.79Å; D585-K589 WeakPolarHBondContact OD1-CE 3.13Å; D585-K589 IonicContact OD1-NZ 3.76Å; D585-K589 PolarHBondContact OD1-NZ 3Å; D585-K589 IonicContact OD2-NZ 3.94Å; D585-K589 PolarHBondContact OD2-NZ 3.11Å; C586-K589 PolarHBondContact O-N 3.29Å; K589-W591 VanDerWaalsContact C-N 3.32Å; K589-W591 PolarHBondContact O-N 2.79Å; K589-R592 PolarHBondContact O-N 3.27Å; K589-R592 VanDerWaalsContact O-N 3.14Å; K589-E593 VanDerWaalsContact O-CB 3.24Å; K589-E593 WeakPolarHBondContact O-CB 3.5Å; K589-E593 VanDerWaalsContact O-CG 3.31Å; K589-E593 WeakPolarHBondContact O-CG 3.35Å; K589-E593 PolarHBondContact O-N 3.06Å
590	V	83.2	Confident	82.7	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-45.2	175.2	171.4	0	0	0	0	111.1	Y580 C586 R592 E594 G595 A598 F599	Y580-V590 HydrophobicContact CE1-CG2 4.24Å; C586-V590 WeakPolarHBondContact O-CB 3.34Å; C586-V590 WeakPolarHBondContact O-CG2 3.16Å; C586-V590 PolarHBondContact O-N 2.79Å; V590-R592 VanDerWaalsContact C-N 3.35Å; V590-R592 PolarHBondContact O-N 2.99Å; V590-E594 WeakPolarHBondContact O-CA 3.47Å; V590-E594 PolarHBondContact O-N 3.49Å; V590-G595 PolarHBondContact O-N 3.26Å; V590-A598 HydrophobicContact CG1-CB 3.67Å; V590-F599 HydrophobicContact CB-CE1 4.4Å; V590-F599 HydrophobicContact CB-CZ 4.05Å; V590-F599 HydrophobicContact CG1-CD1 4.4Å; V590-F599 HydrophobicContact CG1-CD2 4.33Å; V590-F599 HydrophobicContact CG1-CE1 4.05Å; V590-F599 HydrophobicContact CG1-CE2 3.96Å; V590-F599 HydrophobicContact CG1-CZ 3.82Å
591	W	88	Confident	83.1	Confident	153 Å²	153	80.5 Å²	80.5	58%	0.58	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-42.4	176.6	-172.3	-69.5	0	0	0	112.4	C587 K589 G595 F596 F599	C587-W591 VanDerWaalsContact O-CB 3.27Å; C587-W591 WeakPolarHBondContact O-CB 3.4Å; C587-W591 PolarHBondContact O-N 3.26Å; K589-W591 VanDerWaalsContact C-N 3.32Å; K589-W591 PolarHBondContact O-N 2.79Å; W591-G595 WeakPolarHBondContact O-CA 3.35Å; W591-G595 PolarHBondContact O-N 2.79Å; W591-F596 HydrophobicContact CE3-CD2 4.04Å; W591-F596 HydrophobicContact CH2-CB 4.38Å; W591-F596 AromaticContact CH2-CD2 3.49Å; W591-F596 HydrophobicContact CH2-CD2 3.49Å; W591-F596 VanDerWaalsContact CH2-CD2 3.49Å; W591-F596 HydrophobicContact CH2-CE2 4.09Å; W591-F596 HydrophobicContact CH2-CG 4.24Å; W591-F596 HydrophobicContact CZ2-CD2 4.38Å; W591-F596 AromaticContact CZ3-CD2 3.3Å; W591-F596 HydrophobicContact CZ3-CD2 3.3Å; W591-F596 AromaticContact CZ3-CE2 3.85Å; W591-F596 HydrophobicContact CZ3-CE2 3.85Å; W591-F596 HydrophobicContact CZ3-CG 4.34Å; W591-F599 HydrophobicContact CB-CE2 4.11Å; W591-F599 HydrophobicContact CB-CZ 4.47Å; W591-F599 AromaticContact CE3-CE2 3.81Å; W591-F599 HydrophobicContact CE3-CE2 3.81Å
592	R	86	Confident	83.5	Confident	222 Å²	222	77.6 Å²	77.6	84%	0.838	39%	0.386	S	S	*	.	H	α-helix	trans	-77.8	-37.2	-175.8	-167.8	177.8	-173.5	171.2	2.5	113.3	R588 K589 V590	R588-R592 WeakPolarHBondContact O-CB 3.47Å; R588-R592 PolarHBondContact O-N 3.1Å; K589-R592 PolarHBondContact O-N 3.27Å; K589-R592 VanDerWaalsContact O-N 3.14Å; V590-R592 VanDerWaalsContact C-N 3.35Å; V590-R592 PolarHBondContact O-N 2.99Å
593	E	86.5	Confident	83.9	Confident	92 Å²	92	76.9 Å²	76.9	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-90.8	-39.7	-173.4	-65.7	171.6	-169.4	0	0	112.5	T578 K589	T578-E593 WeakPolarHBondContact CB-OE2 3.22Å; T578-E593 VanDerWaalsContact CG2-OE1 3.32Å; T578-E593 WeakPolarHBondContact CG2-OE1 2.9Å; T578-E593 VanDerWaalsContact CG2-OE2 3.32Å; T578-E593 WeakPolarHBondContact CG2-OE2 3.32Å; T578-E593 PolarHBondContact OG1-OE2 3.32Å; K589-E593 VanDerWaalsContact O-CB 3.24Å; K589-E593 WeakPolarHBondContact O-CB 3.5Å; K589-E593 VanDerWaalsContact O-CG 3.31Å; K589-E593 WeakPolarHBondContact O-CG 3.35Å; K589-E593 PolarHBondContact O-N 3.06Å
594	E	80.4	Confident	84.4	Confident	63 Å²	63	76.5 Å²	76.5	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-115.5	-7.5	-174.2	-57.9	-169.8	-164.9	0	0	113.4	R568 V590 A598 K601	R568-E594 IonicContact CZ-OE1 3.43Å; R568-E594 IonicContact CZ-OE2 3.81Å; R568-E594 IonicContact NH1-OE1 3.03Å; R568-E594 PolarHBondContact NH1-OE1 3.37Å; R568-E594 VanDerWaalsContact NH2-CD 3.27Å; R568-E594 IonicContact NH2-OE1 3.61Å; R568-E594 PolarHBondContact NH2-OE1 3.3Å; R568-E594 IonicContact NH2-OE2 2.87Å; R568-E594 PolarHBondContact NH2-OE2 2.86Å; V590-E594 WeakPolarHBondContact O-CA 3.47Å; V590-E594 PolarHBondContact O-N 3.49Å; E594-A598 HydrophobicContact CB-CB 3.37Å; E594-A598 HydrophobicContact CG-CB 4.41Å; E594-K601 IonicContact OE2-NZ 3.15Å; E594-K601 PolarHBondContact OE2-NZ 3.47Å
595	G	85	Confident	84.4	Confident	28 Å²	28	71.7 Å²	71.7	29%	0.289	36%	0.36	S	S	.	.			trans	78.6	176.3	-179.6	0	0	0	0	0	114.4	V590 W591 G597 A598	V590-G595 PolarHBondContact O-N 3.26Å; W591-G595 WeakPolarHBondContact O-CA 3.35Å; W591-G595 PolarHBondContact O-N 2.79Å; G595-G597 VanDerWaalsContact C-N 3.29Å; G595-G597 PolarHBondContact O-N 3.08Å; G595-A598 VanDerWaalsContact O-CB 3.28Å; G595-A598 WeakPolarHBondContact O-CB 3.3Å; G595-A598 PolarHBondContact O-N 2.65Å
596	F	85.7	Confident	84.4	Confident	122 Å²	122	71.9 Å²	71.9	54%	0.535	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.2	-178.6	-178.9	-112.4	0	0	0	113.4	W591 A598 F599 W600	W591-F596 HydrophobicContact CE3-CD2 4.04Å; W591-F596 HydrophobicContact CH2-CB 4.38Å; W591-F596 AromaticContact CH2-CD2 3.49Å; W591-F596 HydrophobicContact CH2-CD2 3.49Å; W591-F596 VanDerWaalsContact CH2-CD2 3.49Å; W591-F596 HydrophobicContact CH2-CE2 4.09Å; W591-F596 HydrophobicContact CH2-CG 4.24Å; W591-F596 HydrophobicContact CZ2-CD2 4.38Å; W591-F596 AromaticContact CZ3-CD2 3.3Å; W591-F596 HydrophobicContact CZ3-CD2 3.3Å; W591-F596 AromaticContact CZ3-CE2 3.85Å; W591-F596 HydrophobicContact CZ3-CE2 3.85Å; W591-F596 HydrophobicContact CZ3-CG 4.34Å; F596-A598 PolarHBondContact O-N 2.93Å; F596-F599 WeakPolarHBondContact O-CD2 3.46Å; F596-F599 PolarHBondContact O-N 3.46Å; F596-W600 HydrophobicContact CZ-CZ3 4.24Å
597	G	84.9	Confident	84.8	Confident	55 Å²	55	73.5 Å²	73.5	57%	0.567	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64	-20.7	179.7	0	0	0	0	0	114.3	G595 F599 W600	G595-G597 VanDerWaalsContact C-N 3.29Å; G595-G597 PolarHBondContact O-N 3.08Å; G597-F599 PolarHBondContact O-N 2.99Å; G597-W600 PolarHBondContact O-N 3.44Å; G597-W600 VanDerWaalsContact O-N 3.11Å
598	A	83.8	Confident	85	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.008	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-61.8	-32.2	179.3	0	0	0	0	0	113.2	V590 E594 G595 F596 W600 K601	V590-A598 HydrophobicContact CG1-CB 3.67Å; E594-A598 HydrophobicContact CB-CB 3.37Å; E594-A598 HydrophobicContact CG-CB 4.41Å; G595-A598 VanDerWaalsContact O-CB 3.28Å; G595-A598 WeakPolarHBondContact O-CB 3.3Å; G595-A598 PolarHBondContact O-N 2.65Å; F596-A598 PolarHBondContact O-N 2.93Å; A598-W600 PolarHBondContact O-N 3.18Å; A598-K601 WeakPolarHBondContact O-CB 3.49Å; A598-K601 PolarHBondContact O-N 2.94Å
599	F	85.3	Confident	84.8	Confident	15 Å²	15	69.9 Å²	69.9	7%	0.066	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-66.7	-20.3	177.5	-70.3	-76.6	0	0	0	113.7	P561 V564 V565 C587 V590 W591 F596 G597	P561-F599 WeakPolarHBondContact CA-O 3.39Å; P561-F599 HydrophobicContact CB-CB 3.93Å; P561-F599 HydrophobicContact CB-CD1 4.11Å; P561-F599 HydrophobicContact CB-CG 4.4Å; P561-F599 HydrophobicContact CG-CB 4.1Å; V564-F599 WeakPolarHBondContact CG2-O 3.27Å; V565-F599 HydrophobicContact CG2-CD1 4.12Å; V565-F599 HydrophobicContact CG2-CE1 3.77Å; C587-F599 HydrophobicContact CB-CZ 4.36Å; C587-F599 WeakPolarHBondContact O-CZ 3.33Å; V590-F599 HydrophobicContact CB-CE1 4.4Å; V590-F599 HydrophobicContact CB-CZ 4.05Å; V590-F599 HydrophobicContact CG1-CD1 4.4Å; V590-F599 HydrophobicContact CG1-CD2 4.33Å; V590-F599 HydrophobicContact CG1-CE1 4.05Å; V590-F599 HydrophobicContact CG1-CE2 3.96Å; V590-F599 HydrophobicContact CG1-CZ 3.82Å; W591-F599 HydrophobicContact CB-CE2 4.11Å; W591-F599 HydrophobicContact CB-CZ 4.47Å; W591-F599 AromaticContact CE3-CE2 3.81Å; W591-F599 HydrophobicContact CE3-CE2 3.81Å; F596-F599 WeakPolarHBondContact O-CD2 3.46Å; F596-F599 PolarHBondContact O-N 3.46Å; G597-F599 PolarHBondContact O-N 2.99Å
600	W	88.1	Confident	84.9	Confident	99 Å²	99	67.1 Å²	67.1	38%	0.375	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-101.5	6.5	176.3	-101.9	-104.7	0	0	0	113.4	G557 P561 F596 G597 A598 G602 S603	G557-W600 PolarHBondContact O-NE1 3.02Å; P561-W600 HydrophobicContact CB-CZ3 4.5Å; P561-W600 HydrophobicContact CG-CD2 4.21Å; P561-W600 HydrophobicContact CG-CE3 3.62Å; P561-W600 HydrophobicContact CG-CH2 3.57Å; P561-W600 HydrophobicContact CG-CZ2 4.17Å; P561-W600 HydrophobicContact CG-CZ3 3.27Å; F596-W600 HydrophobicContact CZ-CZ3 4.24Å; G597-W600 PolarHBondContact O-N 3.44Å; G597-W600 VanDerWaalsContact O-N 3.11Å; A598-W600 PolarHBondContact O-N 3.18Å; W600-G602 PolarHBondContact O-N 3.34Å; W600-S603 VanDerWaalsContact CD1-CB 3.45Å; W600-S603 WeakPolarHBondContact O-CB 3.45Å; W600-S603 PolarHBondContact O-N 3.48Å; W600-S603 PolarHBondContact O-OG 2.87Å; W600-S603 VanDerWaalsContact O-OG 3.09Å
601	K	78.9	Confident	85.3	Confident	117 Å²	117	67.1 Å²	67.1	51%	0.509	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	123.6	175.3	-80.2	179.7	177.5	174.2	0	110.1	E594 A598	E594-K601 IonicContact OE2-NZ 3.15Å; E594-K601 PolarHBondContact OE2-NZ 3.47Å; A598-K601 WeakPolarHBondContact O-CB 3.49Å; A598-K601 PolarHBondContact O-N 2.94Å
602	G	81.3	Confident	85.6	Confident	51 Å²	51	61 Å²	61	53%	0.526	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-0.4	-176.8	0	0	0	0	0	115	W600 T604 A605 R606	W600-G602 PolarHBondContact O-N 3.34Å; G602-T604 PolarHBondContact O-N 3.07Å; G602-A605 PolarHBondContact O-N 2.99Å; G602-R606 PolarHBondContact O-N 2.69Å
603	S	83.8	Confident	85.9	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-44.2	178.9	72.1	0	0	0	0	112	W600 A605 R606 I607	W600-S603 VanDerWaalsContact CD1-CB 3.45Å; W600-S603 WeakPolarHBondContact O-CB 3.45Å; W600-S603 PolarHBondContact O-N 3.48Å; W600-S603 PolarHBondContact O-OG 2.87Å; W600-S603 VanDerWaalsContact O-OG 3.09Å; S603-A605 PolarHBondContact O-N 3.07Å; S603-R606 CarbonylContact O-C 3.56Å; S603-R606 WeakPolarHBondContact O-CA 3.36Å; S603-R606 WeakPolarHBondContact O-CB 3.45Å; S603-R606 PolarHBondContact O-N 3.12Å; S603-I607 VanDerWaalsContact O-CG1 3.31Å; S603-I607 WeakPolarHBondContact O-CG1 3.42Å; S603-I607 PolarHBondContact O-N 3.45Å
604	T	85.4	Confident	86.1	Confident	94 Å²	94	46.9 Å²	46.9	58%	0.577	27%	0.265	S	S	*	.	H	α-helix	trans	-58.9	-47.4	177.6	-46.6	0	0	0	0	111.8	G602 R606 I607 L608	G602-T604 PolarHBondContact O-N 3.07Å; T604-R606 PolarHBondContact O-N 3Å; T604-I607 PolarHBondContact O-N 2.69Å; T604-L608 HydrophobicContact CG2-CD1 3.95Å; T604-L608 HydrophobicContact CG2-CG 4.33Å; T604-L608 WeakPolarHBondContact O-CB 3.41Å; T604-L608 VanDerWaalsContact O-CG 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.25Å; T604-L608 PolarHBondContact O-N 3.46Å
605	A	82.6	Confident	86.7	Confident	47 Å²	47	43.9 Å²	43.9	39%	0.388	25%	0.251	S	S	.	.	H	α-helix	trans	-66.3	-25.7	177.8	0	0	0	0	0	112.5	G602 S603 R609	G602-A605 PolarHBondContact O-N 2.99Å; S603-A605 PolarHBondContact O-N 3.07Å; A605-R609 WeakPolarHBondContact O-CB 3.47Å
606	R	84.3	Confident	87.2	Confident	38 Å²	38	43.6 Å²	43.6	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-74.6	-50.8	172.2	-171.2	-173.5	-172.3	145.5	7	110.9	A556 C559 D563 G602 S603 T604 R609 S610	A556-R606 HydrophobicContact CB-CG 3.99Å; A556-R606 WeakPolarHBondContact O-CD 3.25Å; C559-R606 PolarHBondContact O-NH1 3.39Å; D563-R606 IonicContact OD2-CZ 2.76Å; D563-R606 IonicContact OD2-NH1 2.67Å; D563-R606 PolarHBondContact OD2-NH1 3.24Å; D563-R606 IonicContact OD2-NH2 3.13Å; D563-R606 PolarHBondContact OD2-NH2 3.24Å; G602-R606 PolarHBondContact O-N 2.69Å; S603-R606 CarbonylContact O-C 3.56Å; S603-R606 WeakPolarHBondContact O-CA 3.36Å; S603-R606 WeakPolarHBondContact O-CB 3.45Å; S603-R606 PolarHBondContact O-N 3.12Å; T604-R606 PolarHBondContact O-N 3Å; R606-R609 WeakPolarHBondContact O-CB 3.47Å; R606-R609 PolarHBondContact O-N 3.37Å; R606-R609 VanDerWaalsContact O-N 3.1Å; R606-S610 PolarHBondContact O-N 2.7Å; R606-S610 PolarHBondContact O-OG 3.42Å
607	I	89.5	Confident	87.6	Confident	34 Å²	34	37.9 Å²	37.9	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-50.3	-179.5	-69.8	161.6	0	0	0	110.6	V553 A556 S603 T604 R609 S610 S611	V553-I607 HydrophobicContact CB-CG2 4.38Å; V553-I607 HydrophobicContact CG1-CD1 4.21Å; V553-I607 HydrophobicContact CG1-CG1 4.49Å; V553-I607 HydrophobicContact CG1-CG2 4.16Å; V553-I607 HydrophobicContact CG2-CG2 3.97Å; A556-I607 HydrophobicContact CB-CG1 3.79Å; S603-I607 VanDerWaalsContact O-CG1 3.31Å; S603-I607 WeakPolarHBondContact O-CG1 3.42Å; S603-I607 PolarHBondContact O-N 3.45Å; T604-I607 PolarHBondContact O-N 2.69Å; I607-R609 PolarHBondContact O-N 2.74Å; I607-S610 PolarHBondContact O-N 3.2Å; I607-S611 WeakPolarHBondContact O-CB 3.38Å; I607-S611 PolarHBondContact O-N 2.88Å
608	L	87	Confident	87.8	Confident	100 Å²	100	35.5 Å²	35.5	52%	0.524	19%	0.193	S	C	.	.	H	α-helix	trans	-61	-18.1	178.8	-72.4	176.4	0	0	0	113.8	T604 P612	T604-L608 HydrophobicContact CG2-CD1 3.95Å; T604-L608 HydrophobicContact CG2-CG 4.33Å; T604-L608 WeakPolarHBondContact O-CB 3.41Å; T604-L608 VanDerWaalsContact O-CG 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.25Å; T604-L608 PolarHBondContact O-N 3.46Å; L608-P612 WeakPolarHBondContact O-CD 3.4Å; L608-P612 VanDerWaalsContact O-CG 3.25Å; L608-P612 WeakPolarHBondContact O-CG 3.4Å
609	R	85.6	Confident	88.2	Confident	62 Å²	62	37.2 Å²	37.2	23%	0.234	20%	0.201	C	C	.	.	H	α-helix	trans	-96.5	-51.4	176.9	-169.2	-165.5	76.8	73.4	0.9	111.5	D373 A605 R606 I607 Q613	D373-R609 WeakPolarHBondContact OD1-CD 3.38Å; D373-R609 WeakPolarHBondContact OD1-CG 3.16Å; D373-R609 IonicContact OD2-NH1 3.78Å; A605-R609 WeakPolarHBondContact O-CB 3.47Å; R606-R609 WeakPolarHBondContact O-CB 3.47Å; R606-R609 PolarHBondContact O-N 3.37Å; R606-R609 VanDerWaalsContact O-N 3.1Å; I607-R609 PolarHBondContact O-N 2.74Å; R609-Q613 VanDerWaalsContact O-CB 3.3Å; R609-Q613 WeakPolarHBondContact O-CB 3.24Å; R609-Q613 PolarHBondContact O-N 3.19Å
610	S	87.7	Confident	88.5	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-71.7	-45.8	-173.5	55.1	0	0	0	0	112.2	A556 R606 I607 Q613 F614	A556-S610 WeakPolarHBondContact CB-OG 3.35Å; R606-S610 PolarHBondContact O-N 2.7Å; R606-S610 PolarHBondContact O-OG 3.42Å; I607-S610 PolarHBondContact O-N 3.2Å; S610-Q613 PolarHBondContact O-N 2.95Å; S610-F614 WeakPolarHBondContact O-CB 3.21Å; S610-F614 WeakPolarHBondContact O-CD2 3.37Å; S610-F614 PolarHBondContact O-N 3.09Å
611	S	92.6	Very high	88.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-49.6	-174.6	-70.9	0	0	0	0	112.7	F549 G552 V553 I607 Q613 G615	F549-S611 WeakPolarHBondContact O-CB 3.49Å; F549-S611 PolarHBondContact O-OG 3.4Å; G552-S611 WeakPolarHBondContact CA-OG 3.33Å; V553-S611 PolarHBondContact N-OG 2.88Å; I607-S611 WeakPolarHBondContact O-CB 3.38Å; I607-S611 PolarHBondContact O-N 2.88Å; S611-Q613 PolarHBondContact O-N 2.85Å; S611-G615 PolarHBondContact O-N 3.21Å
612	P	92.4	Very high	89	Confident	25 Å²	25	27.9 Å²	27.9	16%	0.162	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-36.9	176.1	-10.8	21.2	0	0	0	112.8	V369 F549 L608 G615 V616	V369-P612 HydrophobicContact CG1-CB 3.78Å; F549-P612 HydrophobicContact CD2-CG 4.4Å; F549-P612 HydrophobicContact CE2-CB 4.4Å; F549-P612 HydrophobicContact CE2-CG 3.85Å; L608-P612 WeakPolarHBondContact O-CD 3.4Å; L608-P612 VanDerWaalsContact O-CG 3.25Å; L608-P612 WeakPolarHBondContact O-CG 3.4Å; P612-G615 PolarHBondContact O-N 3.41Å; P612-V616 WeakPolarHBondContact O-CG2 3.16Å; P612-V616 PolarHBondContact O-N 2.84Å
613	Q	92.4	Very high	89.2	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-50.7	-179.8	-172	-178.1	-1.9	0	0	110.6	V369 R609 S610 S611 T617	V369-Q613 HydrophobicContact CB-CB 4.45Å; V369-Q613 HydrophobicContact CG1-CB 3.89Å; V369-Q613 HydrophobicContact CG2-CB 3.79Å; V369-Q613 HydrophobicContact CG2-CG 3.85Å; R609-Q613 VanDerWaalsContact O-CB 3.3Å; R609-Q613 WeakPolarHBondContact O-CB 3.24Å; R609-Q613 PolarHBondContact O-N 3.19Å; S610-Q613 PolarHBondContact O-N 2.95Å; S611-Q613 PolarHBondContact O-N 2.85Å; Q613-T617 WeakPolarHBondContact O-CB 3.18Å; Q613-T617 PolarHBondContact O-N 3.47Å; Q613-T617 PolarHBondContact O-OG1 2.77Å; Q613-T617 VanDerWaalsContact O-OG1 3.09Å
614	F	91.7	Very high	89.3	Confident	13 Å²	13	28 Å²	28	6%	0.057	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-36.7	178.2	-82.9	-68	0	0	0	112.2	K427 F517 Y521 S610 T617 L618	K427-F614 HydrophobicContact CD-CE1 4.35Å; F517-F614 HydrophobicContact CD1-CZ 4.44Å; F517-F614 HydrophobicContact CE1-CD2 4.22Å; F517-F614 HydrophobicContact CE1-CE1 4.25Å; F517-F614 AromaticContact CE1-CE2 3.39Å; F517-F614 HydrophobicContact CE1-CE2 3.39Å; F517-F614 AromaticContact CE1-CZ 3.4Å; F517-F614 HydrophobicContact CE1-CZ 3.4Å; F517-F614 VanDerWaalsContact CE1-CZ 3.4Å; F517-F614 HydrophobicContact CE2-CE2 4.44Å; F517-F614 AromaticContact CZ-CD2 3.85Å; F517-F614 HydrophobicContact CZ-CD2 3.85Å; F517-F614 AromaticContact CZ-CE2 3.28Å; F517-F614 HydrophobicContact CZ-CE2 3.28Å; F517-F614 AromaticContact CZ-CZ 3.85Å; F517-F614 HydrophobicContact CZ-CZ 3.85Å; Y521-F614 AromaticContact CE1-CD1 3.99Å; Y521-F614 HydrophobicContact CE1-CD1 3.99Å; Y521-F614 HydrophobicContact CE1-CE1 4.47Å; Y521-F614 HydrophobicContact CE1-CG 4.45Å; Y521-F614 HydrophobicContact CE2-CB 3.91Å; Y521-F614 HydrophobicContact CE2-CD1 4.36Å; Y521-F614 HydrophobicContact CE2-CD2 4.44Å; Y521-F614 AromaticContact CE2-CG 4Å; Y521-F614 HydrophobicContact CE2-CG 4Å; Y521-F614 AromaticContact CZ-CD1 3.84Å; Y521-F614 AromaticContact CZ-CG 3.87Å; Y521-F614 WeakPolarHBondContact OH-CB 3.26Å; S610-F614 WeakPolarHBondContact O-CB 3.21Å; S610-F614 WeakPolarHBondContact O-CD2 3.37Å; S610-F614 PolarHBondContact O-N 3.09Å; F614-T617 PolarHBondContact O-N 3.07Å; F614-L618 PolarHBondContact O-N 3.15Å
615	G	94	Very high	89.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-50.2	-57.2	171.2	0	0	0	0	0	112.4	S611 P612 M619	S611-G615 PolarHBondContact O-N 3.21Å; P612-G615 PolarHBondContact O-N 3.41Å; G615-M619 VanDerWaalsContact O-CB 3.22Å; G615-M619 WeakPolarHBondContact O-CB 3.5Å; G615-M619 PolarHBondContact O-N 3.48Å; G615-M619 VanDerWaalsContact O-N 3.13Å
616	V	94.7	Very high	88.7	Confident	22 Å²	22	22.4 Å²	22.4	13%	0.133	11%	0.111	C	C	.	.	H	α-helix	trans	-67.8	-43	178.8	178	0	0	0	0	111.4	T364 A368 F545 P612 L618 M619 V620	T364-V616 HydrophobicContact CG2-CG1 4.07Å; A368-V616 HydrophobicContact CB-CB 4.32Å; A368-V616 HydrophobicContact CB-CG1 4.05Å; A368-V616 HydrophobicContact CB-CG2 3.97Å; F545-V616 HydrophobicContact CD2-CG2 4.25Å; F545-V616 HydrophobicContact CE2-CG2 3.92Å; P612-V616 WeakPolarHBondContact O-CG2 3.16Å; P612-V616 PolarHBondContact O-N 2.84Å; V616-L618 PolarHBondContact O-N 2.95Å; V616-M619 HydrophobicContact CG1-CE 4.47Å; V616-M619 PolarHBondContact O-N 3.33Å; V616-V620 HydrophobicContact CG1-CG2 4.09Å; V616-V620 WeakPolarHBondContact O-CB 3.29Å; V616-V620 VanDerWaalsContact O-CG2 3.24Å; V616-V620 WeakPolarHBondContact O-CG2 3.45Å; V616-V620 PolarHBondContact O-N 3.48Å
617	T	92.9	Very high	88.1	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-58.5	-47.6	-178.4	-74	0	0	0	0	112.6	G361 G365 L431 Q613 F614 Y621	G361-T617 VanDerWaalsContact O-CA 3.31Å; G361-T617 WeakPolarHBondContact O-CA 3.11Å; G361-T617 WeakPolarHBondContact O-CB 3.35Å; G361-T617 PolarHBondContact O-OG1 3.24Å; G365-T617 WeakPolarHBondContact CA-OG1 3.34Å; L431-T617 HydrophobicContact CD1-CG2 4.43Å; Q613-T617 WeakPolarHBondContact O-CB 3.18Å; Q613-T617 PolarHBondContact O-N 3.47Å; Q613-T617 PolarHBondContact O-OG1 2.77Å; Q613-T617 VanDerWaalsContact O-OG1 3.09Å; F614-T617 PolarHBondContact O-N 3.07Å; T617-Y621 VanDerWaalsContact O-CB 3.24Å; T617-Y621 WeakPolarHBondContact O-CB 3.21Å; T617-Y621 PolarHBondContact O-N 3.49Å
618	L	91.1	Very high	87.4	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-76	-37.6	-178.5	-70.1	-172.2	0	0	0	113	L431 Y521 Y525 A548 F614 V616 V620 Y621 E622	L431-L618 HydrophobicContact CD1-CD2 4.44Å; L431-L618 HydrophobicContact CD2-CD2 3.42Å; L431-L618 VanDerWaalsContact CD2-CD2 3.42Å; Y521-L618 HydrophobicContact CE1-CD1 3.81Å; Y521-L618 WeakPolarHBondContact OH-CD1 3Å; Y525-L618 HydrophobicContact CD1-CD1 3.54Å; Y525-L618 HydrophobicContact CD2-CD1 3.91Å; Y525-L618 HydrophobicContact CE1-CB 4.45Å; Y525-L618 HydrophobicContact CE1-CD1 3.4Å; Y525-L618 HydrophobicContact CE1-CG 4.39Å; Y525-L618 HydrophobicContact CE2-CB 4.42Å; Y525-L618 HydrophobicContact CE2-CD1 3.78Å; Y525-L618 HydrophobicContact CG-CD1 3.76Å; Y525-L618 VanDerWaalsContact CZ-CD1 3.49Å; A548-L618 HydrophobicContact CB-CB 4.1Å; A548-L618 HydrophobicContact CB-CD1 4.03Å; A548-L618 HydrophobicContact CB-CG 4.5Å; F614-L618 PolarHBondContact O-N 3.15Å; V616-L618 PolarHBondContact O-N 2.95Å; L618-V620 VanDerWaalsContact C-N 3.32Å; L618-V620 PolarHBondContact O-N 3.45Å; L618-Y621 PolarHBondContact O-N 3.14Å; L618-E622 PolarHBondContact O-N 2.9Å
619	M	91.9	Very high	86.6	Confident	37 Å²	37	24.3 Å²	24.3	18%	0.182	12%	0.116	C	C	.	.	H	α-helix	trans	-54.2	-51.4	171.4	177.9	-170.8	72.6	0	0	110.4	P541 L544 F545 G615 V616 L623	P541-M619 HydrophobicContact CB-CG 4.29Å; P541-M619 HydrophobicContact CB-SD 4.22Å; P541-M619 WeakPolarHBondContact O-CG 3.45Å; L544-M619 HydrophobicContact CB-CB 4.38Å; F545-M619 HydrophobicContact CB-CB 4.46Å; F545-M619 HydrophobicContact CB-SD 4.07Å; G615-M619 VanDerWaalsContact O-CB 3.22Å; G615-M619 WeakPolarHBondContact O-CB 3.5Å; G615-M619 PolarHBondContact O-N 3.48Å; G615-M619 VanDerWaalsContact O-N 3.13Å; V616-M619 HydrophobicContact CG1-CE 4.47Å; V616-M619 PolarHBondContact O-N 3.33Å; M619-L623 HydrophobicContact CG-CD1 3.92Å; M619-L623 WeakPolarHBondContact O-CB 3.3Å; M619-L623 WeakPolarHBondContact O-CG 3.4Å; M619-L623 PolarHBondContact O-N 2.94Å
620	V	91.7	Very high	85.8	Confident	23 Å²	23	22.8 Å²	22.8	14%	0.139	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-43.2	179.6	173.3	0	0	0	0	111.3	T364 V616 L618 E622 L623 L624	T364-V620 HydrophobicContact CG2-CG2 3.84Å; V616-V620 HydrophobicContact CG1-CG2 4.09Å; V616-V620 WeakPolarHBondContact O-CB 3.29Å; V616-V620 VanDerWaalsContact O-CG2 3.24Å; V616-V620 WeakPolarHBondContact O-CG2 3.45Å; V616-V620 PolarHBondContact O-N 3.48Å; L618-V620 VanDerWaalsContact C-N 3.32Å; L618-V620 PolarHBondContact O-N 3.45Å; V620-E622 PolarHBondContact O-N 3.15Å; V620-L623 PolarHBondContact O-N 3.42Å; V620-L624 HydrophobicContact CG1-CD1 3.65Å; V620-L624 HydrophobicContact CG1-CG 4.13Å; V620-L624 WeakPolarHBondContact O-CB 3.31Å; V620-L624 WeakPolarHBondContact O-CG 3.43Å; V620-L624 PolarHBondContact O-N 2.77Å
621	Y	89.3	Confident	84.9	Confident	5 Å²	5	24.6 Å²	24.6	2%	0.02	12%	0.123	C	C	.	.	H	α-helix	trans	-56.6	-49.4	178.4	-179.5	-116.1	0	0	0	112.3	L357 L431 D435 T617 L618 L624 Q625	L357-Y621 HydrophobicContact CB-CD2 3.86Å; L357-Y621 HydrophobicContact CB-CE2 3.76Å; L431-Y621 HydrophobicContact CB-CE1 4.44Å; L431-Y621 HydrophobicContact CD1-CD1 4.21Å; L431-Y621 HydrophobicContact CD1-CD2 4.05Å; L431-Y621 HydrophobicContact CD1-CE1 4.44Å; L431-Y621 HydrophobicContact CD1-CE2 4.28Å; L431-Y621 HydrophobicContact CD1-CG 3.99Å; D435-Y621 PolarHBondContact OD2-OH 2.89Å; T617-Y621 VanDerWaalsContact O-CB 3.24Å; T617-Y621 WeakPolarHBondContact O-CB 3.21Å; T617-Y621 PolarHBondContact O-N 3.49Å; L618-Y621 PolarHBondContact O-N 3.14Å; Y621-L624 PolarHBondContact O-N 3.08Å; Y621-Q625 WeakPolarHBondContact O-CG 3.25Å; Y621-Q625 PolarHBondContact O-N 2.77Å; Y621-Q625 PolarHBondContact OH-NE2 3.23Å
622	E	86.8	Confident	83.8	Confident	7 Å²	7	25.5 Å²	25.5	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-72.5	-35.5	-179.5	-70.1	-165	-148.5	0	0	112.4	Y525 K529 L544 L618 V620 Q625 R626 G639	Y525-E622 WeakPolarHBondContact CE1-OE1 3.39Å; Y525-E622 VanDerWaalsContact CZ-OE1 3.3Å; Y525-E622 PolarHBondContact OH-OE1 3.26Å; K529-E622 IonicContact NZ-OE1 2.92Å; K529-E622 PolarHBondContact NZ-OE1 3.29Å; K529-E622 IonicContact NZ-OE2 2.75Å; L544-E622 HydrophobicContact CD1-CB 3.86Å; L544-E622 VanDerWaalsContact CD2-OE2 3.26Å; L544-E622 WeakPolarHBondContact CD2-OE2 3.47Å; L618-E622 PolarHBondContact O-N 2.9Å; V620-E622 PolarHBondContact O-N 3.15Å; E622-Q625 PolarHBondContact O-N 3.32Å; E622-R626 VanDerWaalsContact O-CG 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.26Å; E622-R626 PolarHBondContact O-N 3.05Å; E622-G639 WeakPolarHBondContact OE2-CA 3.43Å
623	L	86	Confident	82.3	Confident	48 Å²	48	25.1 Å²	25.1	25%	0.251	13%	0.126	S	C	.	.	H	α-helix	trans	-62.3	-43.4	173	-75.8	174.3	0	0	0	111.8	P541 M619 V620 Q625 R626 M627	P541-L623 HydrophobicContact CB-CD1 4.16Å; P541-L623 HydrophobicContact CG-CD1 4.22Å; P541-L623 HydrophobicContact CG-CD2 3.89Å; M619-L623 HydrophobicContact CG-CD1 3.92Å; M619-L623 WeakPolarHBondContact O-CB 3.3Å; M619-L623 WeakPolarHBondContact O-CG 3.4Å; M619-L623 PolarHBondContact O-N 2.94Å; V620-L623 PolarHBondContact O-N 3.42Å; L623-Q625 VanDerWaalsContact C-N 3.33Å; L623-Q625 PolarHBondContact O-N 3.39Å; L623-R626 WeakPolarHBondContact O-CB 3.34Å; L623-R626 PolarHBondContact O-N 2.79Å; L623-R626 VanDerWaalsContact O-N 3.17Å; L623-M627 WeakPolarHBondContact O-CB 3.25Å; L623-M627 VanDerWaalsContact O-CG 3.31Å; L623-M627 WeakPolarHBondContact O-CG 3.3Å; L623-M627 PolarHBondContact O-N 2.93Å
624	L	86	Confident	80.7	Confident	20 Å²	20	26.1 Å²	26.1	11%	0.105	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-40.3	175.8	-71.3	168.6	0	0	0	111.7	L357 L360 V620 Y621 R626 M627 F628	L357-L624 HydrophobicContact CD1-CB 4.12Å; L357-L624 HydrophobicContact CD2-CB 3.93Å; L357-L624 HydrophobicContact CD2-CD1 4.38Å; L357-L624 HydrophobicContact CG-CB 4.43Å; L360-L624 HydrophobicContact CB-CD1 4Å; L360-L624 HydrophobicContact CD2-CD1 3.64Å; L360-L624 HydrophobicContact CD2-CD2 4.06Å; L360-L624 HydrophobicContact CG-CD1 3.86Å; V620-L624 HydrophobicContact CG1-CD1 3.65Å; V620-L624 HydrophobicContact CG1-CG 4.13Å; V620-L624 WeakPolarHBondContact O-CB 3.31Å; V620-L624 WeakPolarHBondContact O-CG 3.43Å; V620-L624 PolarHBondContact O-N 2.77Å; Y621-L624 PolarHBondContact O-N 3.08Å; L624-R626 VanDerWaalsContact C-N 3.27Å; L624-R626 PolarHBondContact O-N 3.27Å; L624-M627 PolarHBondContact O-N 3.5Å; L624-F628 HydrophobicContact CD2-CD2 4.22Å; L624-F628 HydrophobicContact CD2-CE2 4.02Å; L624-F628 PolarHBondContact O-N 3.11Å
625	Q	81	Confident	79.1	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.028	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-34.3	174.2	-77	-176.9	-16	0	0	112.7	L357 Y621 E622 L623 Y629	L357-Q625 HydrophobicContact CD1-CB 4.3Å; L357-Q625 HydrophobicContact CD1-CG 3.6Å; Y621-Q625 WeakPolarHBondContact O-CG 3.25Å; Y621-Q625 PolarHBondContact O-N 2.77Å; Y621-Q625 PolarHBondContact OH-NE2 3.23Å; E622-Q625 PolarHBondContact O-N 3.32Å; L623-Q625 VanDerWaalsContact C-N 3.33Å; L623-Q625 PolarHBondContact O-N 3.39Å; Q625-Y629 WeakPolarHBondContact O-CA 3.41Å; Q625-Y629 PolarHBondContact O-N 3.38Å
626	R	74.7	Confident	77.5	Confident	18 Å²	18	32 Å²	32	7%	0.068	17%	0.166	C	C	.	.	H	α-helix	trans	-72.5	-42.2	175	-70	169.3	-174.8	178.9	3.8	111.8	P329 H538 N539 E622 L623 L624 G639	P329-R626 WeakPolarHBondContact CA-O 3.32Å; P329-R626 WeakPolarHBondContact CB-O 3.09Å; H538-R626 PolarHBondContact CE1-NH1 2.89Å; H538-R626 VanDerWaalsContact CE1-NH1 3.32Å; N539-R626 PolarHBondContact O-NH1 3.09Å; N539-R626 PolarHBondContact O-NH2 2.67Å; E622-R626 VanDerWaalsContact O-CG 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.26Å; E622-R626 PolarHBondContact O-N 3.05Å; L623-R626 WeakPolarHBondContact O-CB 3.34Å; L623-R626 PolarHBondContact O-N 2.79Å; L623-R626 VanDerWaalsContact O-N 3.17Å; L624-R626 VanDerWaalsContact C-N 3.27Å; L624-R626 PolarHBondContact O-N 3.27Å; R626-G639 PolarHBondContact NE-O 3.46Å; R626-G639 PolarHBondContact NH2-O 3.48Å
627	M	71.1	Confident	75.6	Confident	85 Å²	85	32 Å²	32	42%	0.419	17%	0.166	S	C	.	.	H	α-helix	trans	-70.6	-37.9	-178.6	-71.7	177.9	70.3	0	0	112.7	P329 L330 L623 L624	P329-M627 CarbonylContact C-O 3.59Å; P329-M627 WeakPolarHBondContact CA-O 3.13Å; L330-M627 HydrophobicContact CD1-CB 4.44Å; L330-M627 HydrophobicContact CD1-CE 3.63Å; L330-M627 PolarHBondContact N-O 3.4Å; L623-M627 WeakPolarHBondContact O-CB 3.25Å; L623-M627 VanDerWaalsContact O-CG 3.31Å; L623-M627 WeakPolarHBondContact O-CG 3.3Å; L623-M627 PolarHBondContact O-N 2.93Å; L624-M627 PolarHBondContact O-N 3.5Å
628	F	74.4	Confident	73.8	Confident	90 Å²	90	36 Å²	36	40%	0.395	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	39.8	-174.3	-61.8	-73.3	0	0	0	113.1	Y353 L624 V630	Y353-F628 HydrophobicContact CE2-CB 4.49Å; Y353-F628 PolarHBondContact OH-O 3.32Å; L624-F628 HydrophobicContact CD2-CD2 4.22Å; L624-F628 HydrophobicContact CD2-CE2 4.02Å; L624-F628 PolarHBondContact O-N 3.11Å; F628-V630 PolarHBondContact O-N 2.92Å; F628-V630 VanDerWaalsContact O-N 3.08Å
629	Y	70.9	Confident	71.9	Confident	36 Å²	36	36.2 Å²	36.2	14%	0.141	19%	0.194	C	C	.	.			trans	-57.8	114.3	-172.2	-178	-104.6	0	0	0	113.6	T332 V333 Q625 D631 R636	T332-Y629 WeakPolarHBondContact CA-O 3.33Å; T332-Y629 HydrophobicContact CG2-CD1 4.14Å; V333-Y629 PolarHBondContact N-O 3.35Å; Q625-Y629 WeakPolarHBondContact O-CA 3.41Å; Q625-Y629 PolarHBondContact O-N 3.38Å; Y629-D631 HydrophobicContact CE1-CB 3.75Å; Y629-R636 HydrophobicContact CE2-CG 4.1Å
630	V	69.3	Low	69.9	Low	30 Å²	30	34.5 Å²	34.5	18%	0.182	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.1	168.6	-176.5	0	0	0	0	108.6	V333 A335 Y353 F628 F632	V333-V630 HydrophobicContact CB-CG1 4.18Å; V333-V630 HydrophobicContact CB-CG2 4.3Å; V333-V630 HydrophobicContact CG1-CG1 4.42Å; V333-V630 CarbonylContact O-C 3.48Å; V333-V630 WeakPolarHBondContact O-CA 3.48Å; V333-V630 WeakPolarHBondContact O-CG1 3.47Å; A335-V630 HydrophobicContact CB-CG1 4.44Å; Y353-V630 HydrophobicContact CD2-CG2 4.17Å; Y353-V630 HydrophobicContact CE2-CG2 3.89Å; F628-V630 PolarHBondContact O-N 2.92Å; F628-V630 VanDerWaalsContact O-N 3.08Å; V630-F632 HydrophobicContact CB-CD2 4.09Å; V630-F632 HydrophobicContact CB-CE2 3.53Å; V630-F632 HydrophobicContact CB-CZ 3.96Å; V630-F632 HydrophobicContact CG1-CD1 4.26Å; V630-F632 HydrophobicContact CG1-CD2 3.83Å; V630-F632 HydrophobicContact CG1-CE1 3.87Å; V630-F632 HydrophobicContact CG1-CE2 3.4Å; V630-F632 HydrophobicContact CG1-CG 4.26Å; V630-F632 HydrophobicContact CG1-CZ 3.42Å; V630-F632 VanDerWaalsContact CG1-CZ 3.42Å; V630-F632 WeakPolarHBondContact O-CD2 3.29Å; V630-F632 PolarHBondContact O-N 3.14Å
631	D	68.7	Low	68	Low	42 Å²	42	39.6 Å²	39.6	23%	0.225	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	101.7	175.2	-167.8	-7.3	0	0	0	109.7	V333 K334 A335 Y629 A633	V333-D631 PolarHBondContact O-N 3.31Å; K334-D631 HydrophobicContact CG-CB 4.28Å; A335-D631 WeakPolarHBondContact CB-O 3.36Å; A335-D631 PolarHBondContact N-O 3.24Å; Y629-D631 HydrophobicContact CE1-CB 3.75Å; D631-A633 VanDerWaalsContact C-N 3.28Å; D631-A633 WeakPolarHBondContact OD1-CA 3.49Å; D631-A633 PolarHBondContact OD1-N 3Å
632	F	69.8	Low	66	Low	19 Å²	19	41 Å²	41	8%	0.083	21%	0.213	C	C	.	.			trans	-88.4	11.8	174.9	-66.6	-81.5	0	0	0	113.2	A335 I346 A349 E350 Y353 V630 G634	A335-F632 HydrophobicContact CB-CD1 3.91Å; A335-F632 HydrophobicContact CB-CE1 4.3Å; I346-F632 HydrophobicContact CG2-CB 4.42Å; I346-F632 HydrophobicContact CG2-CD1 4.04Å; A349-F632 HydrophobicContact CB-CE1 3.97Å; E350-F632 HydrophobicContact CB-CB 4.06Å; E350-F632 HydrophobicContact CB-CD1 3.76Å; E350-F632 HydrophobicContact CB-CD2 3.72Å; E350-F632 HydrophobicContact CB-CE1 4.06Å; E350-F632 HydrophobicContact CB-CE2 4Å; E350-F632 HydrophobicContact CB-CG 3.58Å; E350-F632 HydrophobicContact CB-CZ 4.16Å; E350-F632 HydrophobicContact CG-CB 4.07Å; E350-F632 HydrophobicContact CG-CD1 4.49Å; E350-F632 HydrophobicContact CG-CD2 3.59Å; E350-F632 HydrophobicContact CG-CE2 4.09Å; E350-F632 HydrophobicContact CG-CG 3.81Å; Y353-F632 AromaticContact CD1-CE2 3.71Å; Y353-F632 HydrophobicContact CD1-CE2 3.71Å; Y353-F632 HydrophobicContact CD1-CZ 4.44Å; Y353-F632 HydrophobicContact CE1-CE2 4.4Å; Y353-F632 AromaticContact CG-CE2 3.92Å; Y353-F632 HydrophobicContact CG-CE2 3.92Å; Y353-F632 HydrophobicContact CG-CZ 4.21Å; V630-F632 HydrophobicContact CB-CD2 4.09Å; V630-F632 HydrophobicContact CB-CE2 3.53Å; V630-F632 HydrophobicContact CB-CZ 3.96Å; V630-F632 HydrophobicContact CG1-CD1 4.26Å; V630-F632 HydrophobicContact CG1-CD2 3.83Å; V630-F632 HydrophobicContact CG1-CE1 3.87Å; V630-F632 HydrophobicContact CG1-CE2 3.4Å; V630-F632 HydrophobicContact CG1-CG 4.26Å; V630-F632 HydrophobicContact CG1-CZ 3.42Å; V630-F632 VanDerWaalsContact CG1-CZ 3.42Å; V630-F632 WeakPolarHBondContact O-CD2 3.29Å; V630-F632 PolarHBondContact O-N 3.14Å; F632-G634 PolarHBondContact O-N 3.44Å; F632-G634 VanDerWaalsContact O-N 3.15Å
633	A	59.9	Low	63.7	Low	17 Å²	17	42.5 Å²	42.5	14%	0.14	22%	0.219	C	C	.	.	S	Bend	trans	55.9	22.5	-170.3	0	0	0	0	0	113.9	V336 D631	V336-A633 HydrophobicContact CB-CB 4.01Å; D631-A633 VanDerWaalsContact C-N 3.28Å; D631-A633 WeakPolarHBondContact OD1-CA 3.49Å; D631-A633 PolarHBondContact OD1-N 3Å
634	G	59.5	Low	61.4	Low	25 Å²	25	43.8 Å²	43.8	26%	0.258	23%	0.231	S	C	.	.	S	Bend	trans	-92.1	-179.4	172.4	0	0	0	0	0	112.3	F632 R636	F632-G634 PolarHBondContact O-N 3.44Å; F632-G634 VanDerWaalsContact O-N 3.15Å; G634-R636 PolarHBondContact O-N 2.69Å
635	T	57.3	Low	59	Low	55 Å²	55	45.1 Å²	45.1	34%	0.337	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-70.5	123.4	168.8	33.9	0	0	0	0	109.5	R354 D439	R354-T635 PolarHBondContact NH2-O 3.05Å; D439-T635 WeakPolarHBondContact CA-OG1 3.47Å; D439-T635 WeakPolarHBondContact CB-OG1 3.45Å; D439-T635 WeakPolarHBondContact OD1-CB 3.23Å; D439-T635 PolarHBondContact OD1-OG1 3.41Å; D439-T635 PolarHBondContact OD2-OG1 3.29Å
636	R	59.7	Low	56.6	Low	81 Å²	81	46.8 Å²	46.8	31%	0.306	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-65.9	130.6	177.1	-176.8	169.2	-170.8	169	12.6	109.6	Y629 G634 T638 S640 I642	Y629-R636 HydrophobicContact CE2-CG 4.1Å; G634-R636 PolarHBondContact O-N 2.69Å; R636-T638 PolarHBondContact O-N 3.38Å; R636-S640 WeakPolarHBondContact CG-OG 3.13Å; R636-S640 PolarHBondContact NE-O 3.38Å; R636-S640 VanDerWaalsContact NE-O 3.07Å; R636-S640 PolarHBondContact NE-OG 3.27Å; R636-S640 PolarHBondContact NH2-O 2.87Å; R636-I642 VanDerWaalsContact NH2-CD1 3.28Å
637	P	56.2	Low	54.6	Low	22 Å²	22	47.1 Å²	47.1	14%	0.143	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-53.7	127.9	176.4	-24.5	31.1	0	0	0	110.9	G639 S640	P637-G639 PolarHBondContact O-N 2.81Å; P637-G639 VanDerWaalsContact O-N 3.1Å; P637-S640 WeakPolarHBondContact CD-OG 3.4Å; P637-S640 WeakPolarHBondContact O-CB 3.32Å; P637-S640 PolarHBondContact O-N 3.26Å; P637-S640 PolarHBondContact O-OG 3Å
638	T	53.8	Low	52.6	Low	85 Å²	85	48.8 Å²	48.8	52%	0.521	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	114.2	177	46.3	0	0	0	0	109.7	K529 R636	K529-T638 PolarHBondContact NZ-O 3.35Å; R636-T638 PolarHBondContact O-N 3.38Å
639	G	51.7	Low	50.3	Low	9 Å²	9	49 Å²	49	9%	0.093	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.4	-21.3	-174.9	0	0	0	0	0	114.8	E622 R626 P637 K641	E622-G639 WeakPolarHBondContact OE2-CA 3.43Å; R626-G639 PolarHBondContact NE-O 3.46Å; R626-G639 PolarHBondContact NH2-O 3.48Å; P637-G639 PolarHBondContact O-N 2.81Å; P637-G639 VanDerWaalsContact O-N 3.1Å; G639-K641 PolarHBondContact O-N 3.31Å
640	S	51.1	Low	48.8	Very low	1 Å²	1	49.4 Å²	49.4	1%	0.007	27%	0.267	C	S	.	.			trans	-76.4	-1.4	169.6	71.8	0	0	0	0	113	R636 P637 I642	R636-S640 WeakPolarHBondContact CG-OG 3.13Å; R636-S640 PolarHBondContact NE-O 3.38Å; R636-S640 VanDerWaalsContact NE-O 3.07Å; R636-S640 PolarHBondContact NE-OG 3.27Å; R636-S640 PolarHBondContact NH2-O 2.87Å; P637-S640 WeakPolarHBondContact CD-OG 3.4Å; P637-S640 WeakPolarHBondContact O-CB 3.32Å; P637-S640 PolarHBondContact O-N 3.26Å; P637-S640 PolarHBondContact O-OG 3Å; S640-I642 PolarHBondContact O-N 3.19Å
641	K	49.9	Very low	47.1	Very low	131 Å²	131	52.3 Å²	52.3	57%	0.57	28%	0.284	S	S	*	.			trans	-54.7	108.5	170.8	-67.5	-175.8	-178.8	-178.9	0	107.3	H538 G639 R643	H538-K641 PolarHBondContact ND1-O 3.44Å; G639-K641 PolarHBondContact O-N 3.31Å; K641-R643 PolarHBondContact O-N 3.41Å
642	I	48.1	Very low	45.7	Very low	33 Å²	33	52.7 Å²	52.7	17%	0.169	29%	0.289	C	S	.	.			trans	-46.3	141.4	156.5	-70.2	154.4	0	0	0	104.7	S327 P329 R636 S640 S644	S327-I642 WeakPolarHBondContact O-CG2 3.39Å; P329-I642 HydrophobicContact CB-CD1 4.24Å; P329-I642 HydrophobicContact CG-CD1 3.67Å; R636-I642 VanDerWaalsContact NH2-CD1 3.28Å; S640-I642 PolarHBondContact O-N 3.19Å; I642-S644 PolarHBondContact O-N 2.9Å
643	R	39.4	Very low	44.7	Very low	40 Å²	40	53.8 Å²	53.8	15%	0.151	30%	0.298	C	S	.	.			trans	-45.2	103.6	163.1	-106.1	-169.4	171.8	165.5	6.2	106.5	D534 H538 K641 S645 N649	D534-R643 IonicContact OD2-NH2 2.72Å; D534-R643 PolarHBondContact OD2-NH2 3.35Å; H538-R643 HydrophobicContact CB-CG 4.29Å; K641-R643 PolarHBondContact O-N 3.41Å; R643-S645 PolarHBondContact O-N 3.44Å; R643-N649 VanDerWaalsContact NH1-CB 3.31Å; R643-N649 PolarHBondContact NH1-ND2 3.36Å; R643-N649 PolarHBondContact NH2-ND2 3.45Å; R643-N649 VanDerWaalsContact NH2-ND2 3.2Å; R643-N649 PolarHBondContact NH2-OD1 2.96Å
644	S	37.4	Very low	44.5	Very low	74 Å²	74	53.4 Å²	53.4	52%	0.517	29%	0.293	S	S	.	.			trans	-53.6	143.8	146.4	49.4	0	0	0	0	102.6	I642 S646	I642-S644 PolarHBondContact O-N 2.9Å; S644-S646 PolarHBondContact O-N 2.97Å; S644-S646 WeakPolarHBondContact OG-CB 3.33Å; S644-S646 PolarHBondContact OG-N 3.16Å
645	S	34.7	Very low	44.5	Very low	48 Å²	48	58.7 Å²	58.7	34%	0.336	31%	0.311	S	S	.	.	S	Bend	trans	-63	63.2	153.1	67.9	0	0	0	0	107.7	Q24 R643	Q24-S645 VanDerWaalsContact CD-CB 3.44Å; Q24-S645 VanDerWaalsContact CG-O 3.26Å; Q24-S645 WeakPolarHBondContact CG-O 3.5Å; Q24-S645 PolarHBondContact NE2-O 3.29Å; Q24-S645 PolarHBondContact NE2-OG 3.11Å; Q24-S645 VanDerWaalsContact OE1-CB 3.31Å; Q24-S645 PolarHBondContact OE1-O 3.28Å; R643-S645 PolarHBondContact O-N 3.44Å
646	S	30.3	Very low	45.3	Very low	42 Å²	42	58.3 Å²	58.3	29%	0.294	31%	0.305	S	S	.	.			trans	-84.4	136.4	143.8	-179.1	0	0	0	0	102.5	D536 S644	D536-S646 VanDerWaalsContact CG-C 3.42Å; D536-S646 VanDerWaalsContact CG-O 3.22Å; D536-S646 WeakPolarHBondContact OD1-CB 3.37Å; D536-S646 PolarHBondContact OD1-OG 3.38Å; S644-S646 PolarHBondContact O-N 2.97Å; S644-S646 WeakPolarHBondContact OG-CB 3.33Å; S644-S646 PolarHBondContact OG-N 3.16Å
647	N	34.2	Very low	46.3	Very low	25 Å²	25	59.4 Å²	59.4	13%	0.134	32%	0.323	C	S	.	.	S	Bend	trans	-112	84.7	-147.7	26.1	-88	0	0	0	109.1	Q24 Y25 D536	Q24-N647 VanDerWaalsContact CA-CG 3.49Å; Q24-N647 WeakPolarHBondContact CA-OD1 3.5Å; Q24-N647 HydrophobicContact CB-CB 3.72Å; Q24-N647 WeakPolarHBondContact CB-OD1 3.36Å; Q24-N647 HydrophobicContact CG-CB 4.17Å; Q24-N647 WeakPolarHBondContact CG-OD1 3.47Å; Q24-N647 PolarHBondContact O-ND2 3.25Å; Q24-N647 PolarHBondContact O-OD1 3.4Å; Y25-N647 WeakPolarHBondContact CA-ND2 3.32Å; Y25-N647 HydrophobicContact CD1-CB 4.44Å; Y25-N647 HydrophobicContact CD2-CB 3.89Å; Y25-N647 HydrophobicContact CE1-CB 4.13Å; Y25-N647 WeakPolarHBondContact CE1-O 3.2Å; Y25-N647 HydrophobicContact CE2-CB 3.55Å; Y25-N647 HydrophobicContact CG-CB 4.32Å; Y25-N647 PolarHBondContact N-ND2 3.15Å; Y25-N647 PolarHBondContact OH-O 3.2Å; D536-N647 PolarHBondContact OD1-N 2.89Å
648	R	28.9	Very low	47.8	Very low	120 Å²	120	59.5 Å²	59.5	45%	0.453	32%	0.322	S	S	.	.			trans	-121.4	4.4	167.8	-96	177.4	-169.8	-123.8	8.2	115.5	E28 A535 D536	E28-R648 IonicContact OE2-CZ 3.7Å; E28-R648 IonicContact OE2-NE 3.5Å; E28-R648 IonicContact OE2-NH2 2.73Å; E28-R648 PolarHBondContact OE2-NH2 2.96Å; A535-R648 VanDerWaalsContact CB-CD 3.46Å; D536-R648 WeakPolarHBondContact OD2-CB 3.48Å; D536-R648 PolarHBondContact OD2-N 3.12Å
649	N	26.3	Very low	49.4	Very low	94 Å²	94	55.5 Å²	55.5	50%	0.503	30%	0.297	S	S	.	.			trans	-104.8	20.9	177	-98.9	44.7	0	0	0	116	A324 R643	A324-N649 HydrophobicContact CB-CB 4.32Å; R643-N649 VanDerWaalsContact NH1-CB 3.31Å; R643-N649 PolarHBondContact NH1-ND2 3.36Å; R643-N649 PolarHBondContact NH2-ND2 3.45Å; R643-N649 VanDerWaalsContact NH2-ND2 3.2Å; R643-N649 PolarHBondContact NH2-OD1 2.96Å
650	Y	37.7	Very low	50.9	Low	45 Å²	45	55.8 Å²	55.8	18%	0.176	30%	0.296	C	S	.	.	S	Bend	trans	-80.5	110.1	139.1	-82.5	-83.8	0	0	0	107.6	L21 Y25 E322 P652 T653	L21-Y650 HydrophobicContact CG-CE2 4.34Å; Y25-Y650 AromaticContact CE2-CD2 3.73Å; Y25-Y650 HydrophobicContact CE2-CD2 3.73Å; Y25-Y650 HydrophobicContact CE2-CG 4.46Å; Y25-Y650 AromaticContact CZ-CD2 3.99Å; Y25-Y650 WeakPolarHBondContact OH-CB 3.29Å; Y25-Y650 PolarHBondContact OH-N 3.18Å; E322-Y650 HydrophobicContact CG-CE2 4.11Å; E322-Y650 VanDerWaalsContact CG-OH 3.27Å; E322-Y650 WeakPolarHBondContact CG-OH 3.37Å; E322-Y650 WeakPolarHBondContact OE1-CE2 3.2Å; E322-Y650 PolarHBondContact OE1-OH 3.05Å; E322-Y650 WeakPolarHBondContact OE2-CE2 3.35Å; Y650-P652 VanDerWaalsContact O-N 3.16Å; Y650-T653 HydrophobicContact CD1-CG2 3.49Å; Y650-T653 VanDerWaalsContact CD1-CG2 3.49Å; Y650-T653 HydrophobicContact CE1-CG2 3.79Å; Y650-T653 HydrophobicContact CG-CG2 4.5Å
651	T	33.6	Very low	52.3	Low	91 Å²	91	56.4 Å²	56.4	56%	0.558	30%	0.303	S	S	*	.			trans	-41.3	121.7	139	36.4	0	0	0	0	106.3	T653	T651-T653 PolarHBondContact O-N 3.25Å
652	P	40.3	Very low	53.9	Low	50 Å²	50	50.1 Å²	50.1	33%	0.325	28%	0.276	S	S	.	.			trans	-44.7	116.2	174.4	17.3	-29.6	0	0	0	105.9	Y650 D654 R664	Y650-P652 VanDerWaalsContact O-N 3.16Å; P652-D654 CarbonylContact O-C 2.97Å; P652-D654 PolarHBondContact O-N 3Å; P652-R664 HydrophobicContact CB-CB 4.21Å; P652-R664 HydrophobicContact CB-CG 4.42Å
653	T	48.6	Very low	55.8	Low	42 Å²	42	48.6 Å²	48.6	26%	0.258	27%	0.268	S	S	.	.	S	Bend	trans	-59.6	-17.7	-171.2	49.2	0	0	0	0	110.1	Y650 T651	Y650-T653 HydrophobicContact CD1-CG2 3.49Å; Y650-T653 VanDerWaalsContact CD1-CG2 3.49Å; Y650-T653 HydrophobicContact CE1-CG2 3.79Å; Y650-T653 HydrophobicContact CG-CG2 4.5Å; T651-T653 PolarHBondContact O-N 3.25Å
654	D	54.8	Low	57.9	Low	8 Å²	8	52.5 Å²	52.5	4%	0.043	28%	0.282	C	S	.	.			trans	-95.8	108.8	158.8	-141.1	-21.3	0	0	0	113.7	P652 H656 H659 R667	P652-D654 CarbonylContact O-C 2.97Å; P652-D654 PolarHBondContact O-N 3Å; D654-H656 WeakPolarHBondContact OD1-CB 3.41Å; D654-H656 PolarHBondContact OD1-N 3.42Å; D654-H659 IonicContact OD1-ND1 2.71Å; D654-H659 IonicContact OD2-CE1 3.24Å; D654-H659 PolarHBondContact OD2-CE1 2.62Å; D654-H659 IonicContact OD2-ND1 2.59Å; D654-H659 PolarHBondContact OD2-ND1 2.74Å; D654-R667 IonicContact OD1-CZ 3.83Å; D654-R667 IonicContact OD1-NH1 3.41Å; D654-R667 PolarHBondContact OD1-NH1 2.59Å; D654-R667 IonicContact OD1-NH2 2.76Å; D654-R667 WeakPolarHBondContact OD2-CD 3.44Å; D654-R667 WeakPolarHBondContact OD2-CG 3.34Å; D654-R667 IonicContact OD2-CZ 3.71Å; D654-R667 IonicContact OD2-NE 3.99Å; D654-R667 PolarHBondContact OD2-NE 2.94Å; D654-R667 IonicContact OD2-NH1 3.64Å; D654-R667 PolarHBondContact OD2-NH1 2.98Å; D654-R667 IonicContact OD2-NH2 3.6Å; D654-R667 PolarHBondContact OD2-NH2 2.96Å
655	H	59.4	Low	59.9	Low	136 Å²	136	50.2 Å²	50.2	63%	0.63	26%	0.264	S	S	*	.			trans	-86.9	13.8	165.6	-69.5	-62	0	0	0	112.2
656	H	75.3	Confident	62.3	Low	48 Å²	48	47.9 Å²	47.9	22%	0.222	25%	0.248	C	C	.	.			trans	-58.2	124.3	176.3	-165.2	-79.3	0	0	0	109.8	Y44 D654 D658 H659	Y44-H656 PolarHBondContact OH-CE1 2.97Å; Y44-H656 VanDerWaalsContact OH-CE1 3.22Å; D654-H656 WeakPolarHBondContact OD1-CB 3.41Å; D654-H656 PolarHBondContact OD1-N 3.42Å; H656-D658 IonicContact CE1-OD2 3.18Å; H656-D658 PolarHBondContact CE1-OD2 2.84Å; H656-D658 VanDerWaalsContact CE1-OD2 3.23Å; H656-D658 PolarHBondContact ND1-N 3.41Å; H656-D658 IonicContact ND1-OD2 2.79Å; H656-D658 PolarHBondContact O-N 3.24Å; H656-H659 HydrophobicContact CB-CB 4.23Å; H656-H659 AromaticContact CG-CD2 3.9Å; H656-H659 AromaticContact CG-NE2 3.91Å; H656-H659 AromaticContact ND1-CD2 3.64Å; H656-H659 AromaticContact ND1-NE2 3.92Å; H656-H659 PolarHBondContact O-N 3.15Å
657	P	81	Confident	64.7	Low	104 Å²	104	47.7 Å²	47.7	68%	0.675	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.5	-172.3	23.6	-33.9	0	0	0	112.6	H659	P657-H659 VanDerWaalsContact C-N 3.34Å
658	D	86.7	Confident	66.5	Low	23 Å²	23	47 Å²	47	12%	0.123	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.5	179.5	-55.2	-57.3	0	0	0	113.7	I40 R43 Y44 F64 H656 I660	I40-D658 HydrophobicContact CG1-CB 4.38Å; I40-D658 HydrophobicContact CG2-CB 3.92Å; R43-D658 IonicContact NH1-OD1 3.07Å; R43-D658 PolarHBondContact NH1-OD1 2.84Å; Y44-D658 HydrophobicContact CE2-CB 4.13Å; Y44-D658 PolarHBondContact OH-OD2 3.03Å; Y44-D658 VanDerWaalsContact OH-OD2 3.05Å; F64-D658 HydrophobicContact CE2-CB 4.33Å; H656-D658 IonicContact CE1-OD2 3.18Å; H656-D658 PolarHBondContact CE1-OD2 2.84Å; H656-D658 VanDerWaalsContact CE1-OD2 3.23Å; H656-D658 PolarHBondContact ND1-N 3.41Å; H656-D658 IonicContact ND1-OD2 2.79Å; H656-D658 PolarHBondContact O-N 3.24Å; D658-I660 PolarHBondContact O-N 2.89Å
659	H	87.3	Confident	69	Low	2 Å²	2	41.5 Å²	41.5	1%	0.009	22%	0.218	C	C	.	.			trans	-91.7	98.9	174.9	-70.3	-170.3	0	0	0	109.9	F64 D654 H656 P657 R664	F64-H659 AromaticContact CE2-CD2 3.63Å; F64-H659 AromaticContact CZ-CD2 3.69Å; F64-H659 PolarHBondContact O-NE2 3.32Å; D654-H659 IonicContact OD1-ND1 2.71Å; D654-H659 IonicContact OD2-CE1 3.24Å; D654-H659 PolarHBondContact OD2-CE1 2.62Å; D654-H659 IonicContact OD2-ND1 2.59Å; D654-H659 PolarHBondContact OD2-ND1 2.74Å; H656-H659 HydrophobicContact CB-CB 4.23Å; H656-H659 AromaticContact CG-CD2 3.9Å; H656-H659 AromaticContact CG-NE2 3.91Å; H656-H659 AromaticContact ND1-CD2 3.64Å; H656-H659 AromaticContact ND1-NE2 3.92Å; H656-H659 PolarHBondContact O-N 3.15Å; P657-H659 VanDerWaalsContact C-N 3.34Å; H659-R664 HydrophobicContact CB-CG 4.37Å; H659-R664 WeakPolarHBondContact O-CG 3.45Å; H659-R664 PolarHBondContact O-NE 3.5Å; H659-R664 VanDerWaalsContact O-NE 3.13Å
660	I	83.4	Confident	71.7	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.072	20%	0.195	C	C	.	.			trans	-116.1	158.3	178.9	65.6	167.7	0	0	0	110.9	A32 H36 L37 I40 D658 G662 Y663	A32-I660 HydrophobicContact CB-CB 4.45Å; A32-I660 HydrophobicContact CB-CD1 3.7Å; A32-I660 HydrophobicContact CB-CG1 3.77Å; H36-I660 HydrophobicContact CB-CD1 3.98Å; L37-I660 HydrophobicContact CB-CD1 4.43Å; L37-I660 HydrophobicContact CD1-CD1 4.26Å; L37-I660 HydrophobicContact CD1-CG1 4.06Å; I40-I660 HydrophobicContact CD1-CB 4.46Å; I40-I660 HydrophobicContact CD1-CD1 3.48Å; I40-I660 VanDerWaalsContact CD1-CD1 3.48Å; I40-I660 HydrophobicContact CD1-CG1 3.63Å; I40-I660 HydrophobicContact CD1-CG2 4.02Å; D658-I660 PolarHBondContact O-N 2.89Å; I660-G662 PolarHBondContact O-N 2.9Å; I660-Y663 WeakPolarHBondContact O-CB 3.39Å; I660-Y663 PolarHBondContact O-N 2.81Å; I660-Y663 VanDerWaalsContact O-N 3.13Å
661	G	81.6	Confident	73.3	Confident	14 Å²	14	36.7 Å²	36.7	14%	0.144	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-134.6	-178	0	0	0	0	0	112.7	T30 E102 Y663 R664	T30-G661 WeakPolarHBondContact O-CA 3.45Å; E102-G661 WeakPolarHBondContact OE1-CA 3.4Å; G661-Y663 PolarHBondContact O-N 3.29Å; G661-R664 WeakPolarHBondContact O-CB 3.36Å; G661-R664 PolarHBondContact O-N 3.09Å
662	G	82.2	Confident	75	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.3	177.5	0	0	0	0	0	114.1	E102 L105 C106 I660 R664 L665	E102-G662 PolarHBondContact OE1-N 2.92Å; L105-G662 WeakPolarHBondContact CB-O 3.35Å; C106-G662 VanDerWaalsContact SG-CA 3.51Å; I660-G662 PolarHBondContact O-N 2.9Å; G662-R664 PolarHBondContact O-N 3.4Å; G662-R664 VanDerWaalsContact O-N 3.12Å; G662-L665 WeakPolarHBondContact O-CB 3.42Å; G662-L665 PolarHBondContact O-N 3.37Å
663	Y	89	Confident	76.9	Confident	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-20.7	179.5	-79.4	-66.6	0	0	0	114.3	L37 F60 F64 L65 F98 Y101 E102 L105 I660 G661 L665 A666	L37-Y663 HydrophobicContact CD1-CD2 3.94Å; L37-Y663 HydrophobicContact CD1-CE2 4.05Å; F60-Y663 AromaticContact CE2-CE1 3.84Å; F60-Y663 HydrophobicContact CE2-CE1 3.84Å; F60-Y663 HydrophobicContact CZ-CE1 4.08Å; F64-Y663 AromaticContact CE1-CD1 3.43Å; F64-Y663 HydrophobicContact CE1-CD1 3.43Å; F64-Y663 VanDerWaalsContact CE1-CD1 3.43Å; F64-Y663 HydrophobicContact CE1-CD2 4.42Å; F64-Y663 AromaticContact CE1-CE1 3.61Å; F64-Y663 HydrophobicContact CE1-CE1 3.61Å; F64-Y663 AromaticContact CE1-CG 3.88Å; F64-Y663 HydrophobicContact CE1-CG 3.88Å; F64-Y663 AromaticContact CZ-CD1 3.81Å; F64-Y663 HydrophobicContact CZ-CD1 3.81Å; F64-Y663 HydrophobicContact CZ-CD2 4.11Å; F64-Y663 HydrophobicContact CZ-CE1 4.25Å; F64-Y663 AromaticContact CZ-CG 3.73Å; F64-Y663 HydrophobicContact CZ-CG 3.73Å; L65-Y663 HydrophobicContact CD2-CD1 4.26Å; F98-Y663 WeakPolarHBondContact CA-OH 3.23Å; F98-Y663 AromaticContact CD1-CE2 3.85Å; F98-Y663 HydrophobicContact CD1-CE2 3.85Å; F98-Y663 HydrophobicContact CD2-CE1 4.46Å; F98-Y663 AromaticContact CD2-CE2 3.96Å; F98-Y663 HydrophobicContact CD2-CE2 3.96Å; F98-Y663 AromaticContact CD2-CZ 3.59Å; F98-Y663 WeakPolarHBondContact CD2-OH 3.26Å; F98-Y663 HydrophobicContact CE1-CD2 4.17Å; F98-Y663 AromaticContact CE1-CE2 3.52Å; F98-Y663 HydrophobicContact CE1-CE2 3.52Å; F98-Y663 HydrophobicContact CE2-CD2 4.42Å; F98-Y663 HydrophobicContact CE2-CE1 4.04Å; F98-Y663 AromaticContact CE2-CE2 3.62Å; F98-Y663 HydrophobicContact CE2-CE2 3.62Å; F98-Y663 AromaticContact CE2-CZ 3.41Å; F98-Y663 VanDerWaalsContact CE2-CZ 3.41Å; F98-Y663 WeakPolarHBondContact CE2-OH 3.36Å; F98-Y663 HydrophobicContact CG-CE2 4.07Å; F98-Y663 WeakPolarHBondContact CG-OH 3.31Å; F98-Y663 AromaticContact CZ-CD2 3.92Å; F98-Y663 HydrophobicContact CZ-CD2 3.92Å; F98-Y663 HydrophobicContact CZ-CE1 4.47Å; F98-Y663 AromaticContact CZ-CE2 3.38Å; F98-Y663 HydrophobicContact CZ-CE2 3.38Å; F98-Y663 AromaticContact CZ-CZ 3.72Å; F98-Y663 WeakPolarHBondContact O-CE2 3.19Å; F98-Y663 PolarHBondContact O-OH 2.72Å; Y101-Y663 AromaticContact CD1-CE1 3.74Å; Y101-Y663 HydrophobicContact CD1-CE1 3.74Å; Y101-Y663 HydrophobicContact CE1-CE1 4.22Å; E102-Y663 HydrophobicContact CB-CD2 3.96Å; E102-Y663 HydrophobicContact CB-CE2 3.62Å; E102-Y663 HydrophobicContact CG-CD2 3.84Å; E102-Y663 HydrophobicContact CG-CE2 4.04Å; L105-Y663 HydrophobicContact CD1-CD1 3.83Å; L105-Y663 HydrophobicContact CD1-CE1 4.06Å; L105-Y663 HydrophobicContact CD1-CG 4.39Å; I660-Y663 WeakPolarHBondContact O-CB 3.39Å; I660-Y663 PolarHBondContact O-N 2.81Å; I660-Y663 VanDerWaalsContact O-N 3.13Å; G661-Y663 PolarHBondContact O-N 3.29Å; Y663-L665 PolarHBondContact O-N 2.94Å; Y663-L665 VanDerWaalsContact O-N 3.12Å; Y663-A666 HydrophobicContact CD1-CB 4.02Å; Y663-A666 WeakPolarHBondContact O-CB 3.45Å; Y663-A666 PolarHBondContact O-N 3.36Å; Y663-A666 VanDerWaalsContact O-N 3.1Å
664	R	82.3	Confident	78.1	Confident	121 Å²	121	29.9 Å²	29.9	46%	0.457	16%	0.156	S	C	.	.	H	α-helix	trans	-60	-21.1	169.8	-68.2	-178.7	175.6	174.5	0.6	113.3	P652 H659 G661 G662	P652-R664 HydrophobicContact CB-CB 4.21Å; P652-R664 HydrophobicContact CB-CG 4.42Å; H659-R664 HydrophobicContact CB-CG 4.37Å; H659-R664 WeakPolarHBondContact O-CG 3.45Å; H659-R664 PolarHBondContact O-NE 3.5Å; H659-R664 VanDerWaalsContact O-NE 3.13Å; G661-R664 WeakPolarHBondContact O-CB 3.36Å; G661-R664 PolarHBondContact O-N 3.09Å; G662-R664 PolarHBondContact O-N 3.4Å; G662-R664 VanDerWaalsContact O-N 3.12Å
665	L	79.8	Confident	78.8	Confident	26 Å²	26	30.7 Å²	30.7	14%	0.136	16%	0.161	C	C	.	.	H	α-helix	trans	-98.8	-14.8	179.7	-57.3	176.3	0	0	0	112.3	L21 W26 A29 G662 Y663 R667 A668 T669	L21-L665 HydrophobicContact CD2-CD2 4.33Å; W26-L665 HydrophobicContact CZ3-CD1 4.48Å; A29-L665 HydrophobicContact CB-CD1 3.97Å; G662-L665 WeakPolarHBondContact O-CB 3.42Å; G662-L665 PolarHBondContact O-N 3.37Å; Y663-L665 PolarHBondContact O-N 2.94Å; Y663-L665 VanDerWaalsContact O-N 3.12Å; L665-R667 PolarHBondContact O-N 3.32Å; L665-A668 CarbonylContact O-C 3.21Å; L665-A668 WeakPolarHBondContact O-CA 3.44Å; L665-A668 WeakPolarHBondContact O-CB 3.48Å; L665-A668 PolarHBondContact O-N 3.07Å; L665-T669 PolarHBondContact O-N 3.45Å; L665-T669 PolarHBondContact O-OG1 3.49Å
666	A	84.8	Confident	79.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-54.8	-51.2	-170.3	0	0	0	0	0	113.6	L65 L105 Y663 A668 T669 F670	L65-A666 HydrophobicContact CD2-CB 3.52Å; L105-A666 HydrophobicContact CD1-CB 3.68Å; L105-A666 HydrophobicContact CD2-CB 4.43Å; Y663-A666 HydrophobicContact CD1-CB 4.02Å; Y663-A666 WeakPolarHBondContact O-CB 3.45Å; Y663-A666 PolarHBondContact O-N 3.36Å; Y663-A666 VanDerWaalsContact O-N 3.1Å; A666-A668 VanDerWaalsContact C-N 3.29Å; A666-A668 PolarHBondContact O-N 3.2Å; A666-T669 PolarHBondContact O-N 2.91Å; A666-F670 VanDerWaalsContact O-CD2 3.26Å; A666-F670 WeakPolarHBondContact O-CD2 3.41Å; A666-F670 PolarHBondContact O-N 2.96Å
667	R	81.2	Confident	79.5	Confident	38 Å²	38	26.3 Å²	26.3	14%	0.143	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-42.9	177.9	-72.9	-163.3	178.6	133	23.5	112.1	Y15 L65 L67 D654 L665 A671	Y15-R667 WeakPolarHBondContact OH-CD 3.42Å; L65-R667 VanDerWaalsContact O-CZ 3.3Å; L65-R667 PolarHBondContact O-NE 3.3Å; L65-R667 PolarHBondContact O-NH2 3.2Å; L65-R667 VanDerWaalsContact O-NH2 3.14Å; L67-R667 HydrophobicContact CD2-CG 4.12Å; L67-R667 HydrophobicContact CG-CG 4.45Å; D654-R667 IonicContact OD1-CZ 3.83Å; D654-R667 IonicContact OD1-NH1 3.41Å; D654-R667 PolarHBondContact OD1-NH1 2.59Å; D654-R667 IonicContact OD1-NH2 2.76Å; D654-R667 WeakPolarHBondContact OD2-CD 3.44Å; D654-R667 WeakPolarHBondContact OD2-CG 3.34Å; D654-R667 IonicContact OD2-CZ 3.71Å; D654-R667 IonicContact OD2-NE 3.99Å; D654-R667 PolarHBondContact OD2-NE 2.94Å; D654-R667 IonicContact OD2-NH1 3.64Å; D654-R667 PolarHBondContact OD2-NH1 2.98Å; D654-R667 IonicContact OD2-NH2 3.6Å; D654-R667 PolarHBondContact OD2-NH2 2.96Å; L665-R667 PolarHBondContact O-N 3.32Å; R667-A671 WeakPolarHBondContact O-CB 3.44Å; R667-A671 PolarHBondContact O-N 3.39Å
668	A	71.8	Confident	79.1	Confident	9 Å²	9	21.7 Å²	21.7	7%	0.074	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-47	178.6	0	0	0	0	0	110.8	L21 L665 A666 F670 A671 E672	L21-A668 HydrophobicContact CD1-CB 3.91Å; L21-A668 HydrophobicContact CD2-CB 3.69Å; L21-A668 HydrophobicContact CG-CB 4.38Å; L665-A668 CarbonylContact O-C 3.21Å; L665-A668 WeakPolarHBondContact O-CA 3.44Å; L665-A668 WeakPolarHBondContact O-CB 3.48Å; L665-A668 PolarHBondContact O-N 3.07Å; A666-A668 VanDerWaalsContact C-N 3.29Å; A666-A668 PolarHBondContact O-N 3.2Å; A668-F670 VanDerWaalsContact C-N 3.34Å; A668-F670 PolarHBondContact O-N 2.79Å; A668-A671 PolarHBondContact O-N 3.1Å; A668-A671 VanDerWaalsContact O-N 3.15Å; A668-E672 WeakPolarHBondContact O-CB 3.35Å; A668-E672 VanDerWaalsContact O-CG 3.3Å; A668-E672 WeakPolarHBondContact O-CG 3.25Å; A668-E672 PolarHBondContact O-N 2.85Å
669	T	80.8	Confident	78.7	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-56.8	-45.6	177.1	-55.8	0	0	0	0	111.4	L105 T114 L665 A666 E672 V673	L105-T669 HydrophobicContact CD2-CG2 4.09Å; T114-T669 HydrophobicContact CG2-CG2 4.24Å; L665-T669 PolarHBondContact O-N 3.45Å; L665-T669 PolarHBondContact O-OG1 3.49Å; A666-T669 PolarHBondContact O-N 2.91Å; T669-E672 WeakPolarHBondContact O-CB 3.27Å; T669-E672 PolarHBondContact O-N 2.74Å; T669-V673 WeakPolarHBondContact O-CG2 3.33Å; T669-V673 PolarHBondContact O-N 2.85Å
670	F	83	Confident	78	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.009	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-41.5	176.5	-79.7	-66.5	0	0	0	113.1	L65 L67 V81 A84 Y101 T114 M118 A666 A668 E672 V673 Q674	L65-F670 HydrophobicContact CD1-CD2 4.12Å; L65-F670 HydrophobicContact CD1-CE2 3.63Å; L67-F670 HydrophobicContact CD1-CB 4.01Å; L67-F670 HydrophobicContact CD1-CD2 3.86Å; L67-F670 HydrophobicContact CD1-CG 4.13Å; V81-F670 HydrophobicContact CB-CE1 4.39Å; V81-F670 HydrophobicContact CG1-CD1 3.99Å; V81-F670 HydrophobicContact CG1-CD2 4.41Å; V81-F670 HydrophobicContact CG1-CE1 3.62Å; V81-F670 HydrophobicContact CG1-CE2 4.08Å; V81-F670 HydrophobicContact CG1-CG 4.37Å; V81-F670 HydrophobicContact CG1-CZ 3.66Å; A84-F670 HydrophobicContact CB-CE1 4.05Å; A84-F670 HydrophobicContact CB-CZ 3.83Å; Y101-F670 HydrophobicContact CE1-CE2 4.25Å; Y101-F670 HydrophobicContact CE1-CZ 4.49Å; Y101-F670 WeakPolarHBondContact OH-CE2 3.33Å; Y101-F670 WeakPolarHBondContact OH-CZ 3.4Å; T114-F670 HydrophobicContact CG2-CD1 4.08Å; T114-F670 HydrophobicContact CG2-CE1 3.65Å; T114-F670 HydrophobicContact CG2-CZ 4.02Å; M118-F670 HydrophobicContact CG-CE1 4.39Å; M118-F670 HydrophobicContact SD-CD1 4.17Å; M118-F670 HydrophobicContact SD-CE1 3.88Å; A666-F670 VanDerWaalsContact O-CD2 3.26Å; A666-F670 WeakPolarHBondContact O-CD2 3.41Å; A666-F670 PolarHBondContact O-N 2.96Å; A668-F670 VanDerWaalsContact C-N 3.34Å; A668-F670 PolarHBondContact O-N 2.79Å; F670-E672 VanDerWaalsContact C-N 3.25Å; F670-E672 PolarHBondContact O-N 3.4Å; F670-V673 PolarHBondContact O-N 3.15Å; F670-Q674 VanDerWaalsContact O-CG 3.31Å; F670-Q674 WeakPolarHBondContact O-CG 3.41Å; F670-Q674 PolarHBondContact O-N 2.92Å; F670-Q674 VanDerWaalsContact O-N 3.13Å
671	A	72.5	Confident	77.7	Confident	37 Å²	37	23.4 Å²	23.4	31%	0.306	12%	0.12	S	C	.	.	H	α-helix	trans	-62.4	-35.1	174.8	0	0	0	0	0	112	R667 A668 S675	R667-A671 WeakPolarHBondContact O-CB 3.44Å; R667-A671 PolarHBondContact O-N 3.39Å; A668-A671 PolarHBondContact O-N 3.1Å; A668-A671 VanDerWaalsContact O-N 3.15Å; A671-S675 WeakPolarHBondContact O-CB 3.36Å; A671-S675 PolarHBondContact O-N 2.84Å; A671-S675 PolarHBondContact O-OG 3.33Å
672	E	68.8	Low	77.1	Confident	9 Å²	9	23 Å²	23	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-70.5	-43.2	173.7	-72.7	173.9	-175.9	0	0	112.7	V18 L21 V22 L111 A668 T669 F670 Q674 S675 K676	V18-E672 HydrophobicContact CB-CG 4.44Å; V18-E672 HydrophobicContact CG1-CB 3.93Å; V18-E672 HydrophobicContact CG1-CG 3.18Å; V18-E672 VanDerWaalsContact O-CG 3.23Å; V18-E672 WeakPolarHBondContact O-CG 3.46Å; L21-E672 WeakPolarHBondContact CB-OE1 3.38Å; V22-E672 HydrophobicContact CG2-CG 4.29Å; V22-E672 WeakPolarHBondContact CG2-OE1 3.37Å; V22-E672 WeakPolarHBondContact CG2-OE2 3.45Å; L111-E672 HydrophobicContact CD1-CB 3.32Å; A668-E672 WeakPolarHBondContact O-CB 3.35Å; A668-E672 VanDerWaalsContact O-CG 3.3Å; A668-E672 WeakPolarHBondContact O-CG 3.25Å; A668-E672 PolarHBondContact O-N 2.85Å; T669-E672 WeakPolarHBondContact O-CB 3.27Å; T669-E672 PolarHBondContact O-N 2.74Å; F670-E672 VanDerWaalsContact C-N 3.25Å; F670-E672 PolarHBondContact O-N 3.4Å; E672-Q674 PolarHBondContact O-N 3.16Å; E672-S675 WeakPolarHBondContact CA-OG 3.42Å; E672-S675 PolarHBondContact O-N 3.34Å; E672-S675 VanDerWaalsContact O-N 3.17Å; E672-S675 PolarHBondContact O-OG 3.48Å; E672-K676 WeakPolarHBondContact O-CA 3.38Å; E672-K676 VanDerWaalsContact O-CB 3.22Å; E672-K676 WeakPolarHBondContact O-CB 3.49Å; E672-K676 PolarHBondContact O-N 3.26Å
673	V	81.2	Confident	76.1	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-55.6	-42.5	176.2	167.1	0	0	0	0	109.2	L111 T114 A115 M118 T669 F670 F677 L679	L111-V673 HydrophobicContact CD1-CB 4.3Å; L111-V673 HydrophobicContact CD1-CG2 3.6Å; L111-V673 HydrophobicContact CG-CG2 4.36Å; L111-V673 WeakPolarHBondContact O-CG2 3.49Å; T114-V673 HydrophobicContact CG2-CG2 4.1Å; A115-V673 HydrophobicContact CB-CG1 4.12Å; A115-V673 HydrophobicContact CB-CG2 4.36Å; M118-V673 HydrophobicContact CE-CG1 4.36Å; M118-V673 HydrophobicContact SD-CG1 3.86Å; T669-V673 WeakPolarHBondContact O-CG2 3.33Å; T669-V673 PolarHBondContact O-N 2.85Å; F670-V673 PolarHBondContact O-N 3.15Å; V673-F677 HydrophobicContact CB-CD2 4.38Å; V673-F677 HydrophobicContact CG1-CD2 4.12Å; V673-F677 HydrophobicContact CG2-CD2 4.49Å; V673-F677 HydrophobicContact CG2-CE2 4.42Å; V673-F677 WeakPolarHBondContact O-CB 3.24Å; V673-F677 PolarHBondContact O-N 3.39Å; V673-L679 HydrophobicContact CG1-CB 4.47Å; V673-L679 HydrophobicContact CG1-CD1 3.77Å
674	Q	74.2	Confident	74.5	Confident	30 Å²	30	27.8 Å²	27.8	14%	0.14	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-40.2	178.5	-65.4	177.1	24.2	0	0	113.4	Y68 F670 E672 G678 L679 L680	Y68-Q674 PolarHBondContact OH-NE2 3.19Å; F670-Q674 VanDerWaalsContact O-CG 3.31Å; F670-Q674 WeakPolarHBondContact O-CG 3.41Å; F670-Q674 PolarHBondContact O-N 2.92Å; F670-Q674 VanDerWaalsContact O-N 3.13Å; E672-Q674 PolarHBondContact O-N 3.16Å; Q674-G678 CarbonylContact O-C 3.59Å; Q674-G678 VanDerWaalsContact O-C 3.28Å; Q674-G678 WeakPolarHBondContact O-CA 3.38Å; Q674-G678 PolarHBondContact O-N 3.29Å; Q674-G678 VanDerWaalsContact O-N 3.16Å; Q674-L679 WeakPolarHBondContact CG-O 3.3Å; Q674-L679 PolarHBondContact O-N 3.08Å; Q674-L679 VanDerWaalsContact O-N 3.13Å; Q674-L680 HydrophobicContact CB-CD2 4.4Å
675	S	68.5	Low	73	Confident	24 Å²	24	28.6 Å²	28.6	17%	0.168	15%	0.145	C	C	.	.	H	α-helix	trans	-84.9	-45.1	-176.7	56	0	0	0	0	113	V18 H215 A671 E672	V18-S675 VanDerWaalsContact CG1-OG 3.26Å; V18-S675 WeakPolarHBondContact CG1-OG 3.26Å; H215-S675 WeakPolarHBondContact CB-O 3.34Å; H215-S675 PolarHBondContact CD2-O 3.29Å; A671-S675 WeakPolarHBondContact O-CB 3.36Å; A671-S675 PolarHBondContact O-N 2.84Å; A671-S675 PolarHBondContact O-OG 3.33Å; E672-S675 WeakPolarHBondContact CA-OG 3.42Å; E672-S675 PolarHBondContact O-N 3.34Å; E672-S675 VanDerWaalsContact O-N 3.17Å; E672-S675 PolarHBondContact O-OG 3.48Å
676	K	72.4	Confident	71.2	Confident	85 Å²	85	31.5 Å²	31.5	37%	0.37	16%	0.164	S	C	.	.	H	α-helix	trans	-73.4	-37.3	-179	-180	154.5	158	-172.6	0	113	L111 E672	L111-K676 HydrophobicContact CD2-CB 4.21Å; L111-K676 HydrophobicContact CD2-CD 3.42Å; L111-K676 VanDerWaalsContact CD2-CD 3.42Å; L111-K676 HydrophobicContact CD2-CG 4.02Å; E672-K676 WeakPolarHBondContact O-CA 3.38Å; E672-K676 VanDerWaalsContact O-CB 3.22Å; E672-K676 WeakPolarHBondContact O-CB 3.49Å; E672-K676 PolarHBondContact O-N 3.26Å
677	F	77.9	Confident	68.8	Low	7 Å²	7	34.7 Å²	34.7	3%	0.031	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	14.7	176.8	-48.6	-53.1	0	0	0	112.8	L111 Y112 A115 L177 H181 V673 L679	L111-F677 HydrophobicContact CD1-CE2 4.2Å; L111-F677 HydrophobicContact CD2-CE1 4.27Å; L111-F677 HydrophobicContact CD2-CE2 3.91Å; L111-F677 HydrophobicContact CD2-CZ 3.6Å; L111-F677 HydrophobicContact CG-CE2 3.56Å; L111-F677 HydrophobicContact CG-CZ 3.68Å; Y112-F677 AromaticContact CD1-CE1 3.83Å; Y112-F677 HydrophobicContact CD1-CE1 3.83Å; Y112-F677 HydrophobicContact CD1-CE2 4.37Å; Y112-F677 AromaticContact CD1-CZ 3.4Å; Y112-F677 HydrophobicContact CD1-CZ 3.4Å; Y112-F677 HydrophobicContact CD2-CZ 4.23Å; Y112-F677 AromaticContact CE1-CE1 3.31Å; Y112-F677 HydrophobicContact CE1-CE1 3.31Å; Y112-F677 AromaticContact CE1-CZ 3.39Å; Y112-F677 HydrophobicContact CE1-CZ 3.39Å; Y112-F677 HydrophobicContact CE2-CE1 4.48Å; Y112-F677 HydrophobicContact CE2-CZ 4.23Å; Y112-F677 AromaticContact CG-CZ 3.84Å; Y112-F677 HydrophobicContact CG-CZ 3.84Å; Y112-F677 AromaticContact CZ-CE1 3.69Å; Y112-F677 AromaticContact CZ-CZ 3.83Å; A115-F677 HydrophobicContact CB-CD2 3.98Å; A115-F677 HydrophobicContact CB-CE2 3.76Å; L177-F677 HydrophobicContact CD1-CB 4.1Å; L177-F677 HydrophobicContact CD1-CG 4.49Å; L177-F677 HydrophobicContact CD2-CB 3.86Å; L177-F677 HydrophobicContact CD2-CD1 3.48Å; L177-F677 VanDerWaalsContact CD2-CD1 3.48Å; L177-F677 HydrophobicContact CD2-CD2 3.51Å; L177-F677 HydrophobicContact CD2-CE1 3.77Å; L177-F677 HydrophobicContact CD2-CE2 3.75Å; L177-F677 HydrophobicContact CD2-CG 3.35Å; L177-F677 HydrophobicContact CD2-CZ 3.89Å; L177-F677 HydrophobicContact CG-CB 3.98Å; L177-F677 HydrophobicContact CG-CD1 3.81Å; L177-F677 HydrophobicContact CG-CD2 4.5Å; L177-F677 HydrophobicContact CG-CE1 4.39Å; L177-F677 HydrophobicContact CG-CG 3.88Å; H181-F677 PolarHBondContact CE1-O 3.44Å; H181-F677 PolarHBondContact NE2-O 3.07Å; V673-F677 HydrophobicContact CB-CD2 4.38Å; V673-F677 HydrophobicContact CG1-CD2 4.12Å; V673-F677 HydrophobicContact CG2-CD2 4.49Å; V673-F677 HydrophobicContact CG2-CE2 4.42Å; V673-F677 WeakPolarHBondContact O-CB 3.24Å; V673-F677 PolarHBondContact O-N 3.39Å; F677-L679 HydrophobicContact CB-CD1 4.08Å; F677-L679 HydrophobicContact CB-CG 3.94Å; F677-L679 HydrophobicContact CD2-CD1 4.49Å; F677-L679 WeakPolarHBondContact O-CG 3.23Å; F677-L679 PolarHBondContact O-N 3.34Å
678	G	71.8	Confident	66.5	Low	7 Å²	7	37.7 Å²	37.7	7%	0.072	23%	0.23	C	C	.	.			trans	54.6	17.3	179	0	0	0	0	0	115.9	Q674 L680	Q674-G678 CarbonylContact O-C 3.59Å; Q674-G678 VanDerWaalsContact O-C 3.28Å; Q674-G678 WeakPolarHBondContact O-CA 3.38Å; Q674-G678 PolarHBondContact O-N 3.29Å; Q674-G678 VanDerWaalsContact O-N 3.16Å; G678-L680 PolarHBondContact O-N 3.18Å
679	L	77.4	Confident	64.4	Low	1 Å²	1	44 Å²	44	1%	0.005	26%	0.263	C	S	.	.			trans	-79.6	48.5	-177.7	-63.1	175.9	0	0	0	111.1	F119 L137 I138 T141 L177 V673 Q674 F677 L681	F119-L679 HydrophobicContact CE2-CD1 3.74Å; F119-L679 HydrophobicContact CE2-CD2 4.26Å; F119-L679 HydrophobicContact CZ-CD1 4.31Å; F119-L679 HydrophobicContact CZ-CD2 3.98Å; L137-L679 HydrophobicContact CD2-CD2 4.05Å; I138-L679 HydrophobicContact CD1-CD2 3.59Å; T141-L679 HydrophobicContact CG2-CB 4.49Å; T141-L679 HydrophobicContact CG2-CD2 4.09Å; L177-L679 HydrophobicContact CD1-CD1 4.45Å; L177-L679 HydrophobicContact CD1-CD2 4.46Å; V673-L679 HydrophobicContact CG1-CB 4.47Å; V673-L679 HydrophobicContact CG1-CD1 3.77Å; Q674-L679 WeakPolarHBondContact CG-O 3.3Å; Q674-L679 PolarHBondContact O-N 3.08Å; Q674-L679 VanDerWaalsContact O-N 3.13Å; F677-L679 HydrophobicContact CB-CD1 4.08Å; F677-L679 HydrophobicContact CB-CG 3.94Å; F677-L679 HydrophobicContact CD2-CD1 4.49Å; F677-L679 WeakPolarHBondContact O-CG 3.23Å; F677-L679 PolarHBondContact O-N 3.34Å; L679-L681 PolarHBondContact O-N 3.18Å
680	L	73.8	Confident	61.9	Low	71 Å²	71	50.4 Å²	50.4	37%	0.372	30%	0.302	S	S	.	.			trans	-64.8	103.5	-179.3	-72.7	160.7	0	0	0	109.8	T141 Q142 Q674 G678	T141-L680 CarbonylContact C-O 3.29Å; T141-L680 WeakPolarHBondContact CA-O 3.43Å; Q142-L680 HydrophobicContact CB-CB 4.46Å; Q142-L680 PolarHBondContact N-O 3.05Å; Q674-L680 HydrophobicContact CB-CD2 4.4Å; G678-L680 PolarHBondContact O-N 3.18Å
681	L	77	Confident	59.2	Low	3 Å²	3	62.8 Å²	62.8	2%	0.016	36%	0.356	C	S	.	.			trans	-80.6	144	175.4	-60.9	173.2	0	0	0	110.1	Y68 V77 V80 V81 M118 L140 T141 Q142 L679	Y68-L681 HydrophobicContact CE1-CB 4.47Å; V77-L681 HydrophobicContact CG1-CB 3.79Å; V77-L681 HydrophobicContact CG1-CD1 4.03Å; V77-L681 HydrophobicContact CG1-CG 4.46Å; V77-L681 HydrophobicContact CG2-CB 4.28Å; V80-L681 HydrophobicContact CG1-CD1 4.15Å; V81-L681 HydrophobicContact CG2-CD1 3.88Å; M118-L681 HydrophobicContact CE-CD1 4.12Å; L140-L681 HydrophobicContact CB-CD2 4.22Å; T141-L681 HydrophobicContact CG2-CD2 4.48Å; Q142-L681 PolarHBondContact NE2-O 3.27Å; L679-L681 PolarHBondContact O-N 3.18Å
682	P	69.4	Low	58.6	Low	6 Å²	6	64.1 Å²	64.1	4%	0.039	36%	0.358	C	S	.	.			trans	-67	135.9	177.4	25.6	-32.8	0	0	0	110.4	V77 L140 Q142	V77-P682 HydrophobicContact CG2-CG 3.89Å; L140-P682 WeakPolarHBondContact O-CD 3.5Å; Q142-P682 HydrophobicContact CG-CB 4.38Å
683	T	60.7	Low	58	Low	30 Å²	30	67 Å²	67	18%	0.184	38%	0.375	C	S	.	.	S	Bend	trans	-84.5	-13.6	175.8	52.1	0	0	0	0	113	Y68 T70	Y68-T683 HydrophobicContact CD1-CG2 4.28Å; Y68-T683 HydrophobicContact CE1-CG2 4.32Å; T70-T683 PolarHBondContact OG1-O 3.04Å
684	F	55.7	Low	56.8	Low	72 Å²	72	70.7 Å²	70.7	32%	0.316	40%	0.395	S	S	.	.	S	Bend	trans	-131.2	148.3	-176.3	-55.4	-77.9	0	0	0	109.7	Y10 T70 E72 T686	Y10-F684 HydrophobicContact CE2-CE2 4.12Å; Y10-F684 HydrophobicContact CE2-CZ 4.03Å; Y10-F684 AromaticContact CZ-CZ 3.82Å; Y10-F684 WeakPolarHBondContact OH-CZ 3.28Å; T70-F684 HydrophobicContact CG2-CE1 4.33Å; E72-F684 HydrophobicContact CB-CD1 3.86Å; E72-F684 CarbonylContact O-C 3.55Å; E72-F684 WeakPolarHBondContact O-CA 3.19Å; E72-F684 VanDerWaalsContact OE2-CD1 3.23Å; E72-F684 WeakPolarHBondContact OE2-CD1 3.08Å; F684-T686 PolarHBondContact O-N 3.31Å
685	K	50.2	Low	55.7	Low	137 Å²	137	73.1 Å²	73.1	60%	0.596	41%	0.41	S	S	*	.			trans	-57.5	111.8	165.1	-73.8	179.2	-179.6	-179.9	0	108.9	E72 D74 G687	E72-K685 PolarHBondContact O-N 3.05Å; D74-K685 HydrophobicContact CB-CG 4.19Å; K685-G687 PolarHBondContact O-N 2.94Å; K685-G687 VanDerWaalsContact O-N 3.1Å
686	T	42.7	Very low	54.9	Low	87 Å²	87	76.1 Å²	76.1	53%	0.534	43%	0.426	S	S	.	.			trans	-64.9	111	167.1	46.3	0	0	0	0	107.4	F684 A688	F684-T686 PolarHBondContact O-N 3.31Å; T686-A688 PolarHBondContact O-N 3.22Å
687	G	34.8	Very low	53.8	Low	68 Å²	68	75.5 Å²	75.5	70%	0.701	43%	0.429	S	S	*	.			trans	-52.7	113	-175.1	0	0	0	0	0	112.2	K685 D689	K685-G687 PolarHBondContact O-N 2.94Å; K685-G687 VanDerWaalsContact O-N 3.1Å; G687-D689 PolarHBondContact O-N 2.95Å
688	A	31.9	Very low	52	Low	100 Å²	100	80.4 Å²	80.4	83%	0.826	46%	0.458	S	S	*	.	S	Bend	trans	-79.3	12.4	163.8	0	0	0	0	0	112.3	T686	T686-A688 PolarHBondContact O-N 3.22Å
689	D	28.7	Very low	50.5	Low	141 Å²	141	86.1 Å²	86.1	75%	0.754	49%	0.487	S	S	*	.			trans	-121.9	60.6	176.2	-76.6	-42.3	0	0	0	111.1	G687	G687-D689 PolarHBondContact O-N 2.95Å
690	V	27.7	Very low	48.3	Very low	141 Å²	141	93.2 Å²	93.2	86%	0.855	53%	0.528	S	S	*	.			trans	-117.6	94.1	142.6	-174.5	0	0	0	0	105.1
691	K	26.8	Very low	46	Very low	262 Å²	262	95.2 Å²	95.2	100%	1.139	54%	0.542	S	S	*	.			trans	-48.5	0	177.9	-74.8	-179.9	174.7	177.6	0	113.3

Retrieved 691 of 691 residues in 237.6 ms (Link to these results)

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