A0A3Q0KR28_SCHMA Loading...

Protein kinase

AlphaFold DB (A0A5K4ETA1), UniProt , Accession A0A3Q0KR28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 834 aa.

						>A0A3Q0KR28_SCHMA|A0A3Q0KR28
MSRLSLRRSPPHTPTLSSCNHILQNVEIGKHVGRYGPGFLWSLFEGMESNTGLKSTVFTFDKKTLDRVNKNRRRDLILETLRNDLINLNKLKHPRFVQLIHDIEETNEYLTFITEPIIGSLADMYINDQDSSFCELEIIFGIYQITDALRYLHSTQELMHCNINTASILLVNKSIWKLGGLNFLEKIVDTTKITPKFTGCSVKVPVFAQPDLDFIAPEAQMYNSMSPLADMFSLGMVVCAIHNQGHSLIDSEQNPNVYVKQLPEIPNNFERICERLPRTLLEPVRKMISKDVRERPTSQLFALLKVFNEPVVLSYEGLLTLSDKSLNQKKEFFGRLPKVIPLFEPNVRYKYILPIILQWLYESNDLISYILPSFLTMIKVAESDDYDRYLKSHLHKILTETKSLQTSMVILDLSDFFIHHISQDDIGNLLLPEIFVCLEPGTPKSLETVQNAISVLSKYLNNTQIVQSILPQLKEIYNRKTSNPKIRIACLECLGKLFKKLTLPTLCDDVLPFVSSIRTVDRELVLAVIALNRRLISDRNNEIPYTYIAGMLLPSMVNFLALKTLTISDFRAVINLTRTMLDLIDRQRSVELRSQTGSKSVGGSCSDMSSSFGAPRNLPLIAMQRPTIDSELLYVDMEDSKLSRSSLDYRRSSGSEVTGTSRWSRNSLLIQRLQASKHRSESLLFNTKHRNSIGDHRFWNESASNPNFNYHGHSSTNSRIGPSPFYNSSPTCEDLYKMRRYSGNILTRSTDNQVNVYDNLGSLNVPRYNNGFLDPRRHSYGFTPSTSTKSLITVNVCEGPFVTPLSYRGSIRRNSGWSCGQFPTSQVSTFKKVL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	37.1	Very low	177 Å²	177	112.3 Å²	112.3	87%	0.872	57%	0.571	S	S	*	*				0	126.7	0	-68.1	177	176	0	0	108.5	R3 E252	M1-R3 PolarHBondContact O-N 2.82Å; M1-E252 PolarHBondContact N-OE1 2.98Å; M1-E252 PolarHBondContact N-OE2 3.43Å
2	S	32.9	Very low	37.9	Very low	61 Å²	61	117 Å²	117	43%	0.427	59%	0.588	S	S	.	*			trans	-55.7	138.8	-179.6	61.3	0	0	0	0	111.3	L4 S5	S2-L4 PolarHBondContact O-N 2.91Å; S2-S5 VanDerWaalsContact O-CB 3.28Å; S2-S5 WeakPolarHBondContact O-CB 3.31Å; S2-S5 PolarHBondContact O-N 3.48Å; S2-S5 PolarHBondContact O-OG 2.99Å
3	R	42.1	Very low	38.9	Very low	87 Å²	87	114.7 Å²	114.7	33%	0.328	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-60.5	-23.2	-171.8	-59.8	178.2	178.7	-144.2	9.6	113.9	M1 S5 D211 D213	M1-R3 PolarHBondContact O-N 2.82Å; R3-S5 VanDerWaalsContact C-N 3.29Å; R3-S5 PolarHBondContact O-N 3.34Å; R3-D211 IonicContact CZ-OD1 3.62Å; R3-D211 VanDerWaalsContact CZ-OD1 3.22Å; R3-D211 IonicContact CZ-OD2 2.94Å; R3-D211 IonicContact NH1-OD1 3.3Å; R3-D211 PolarHBondContact NH1-OD1 3.04Å; R3-D211 IonicContact NH1-OD2 3.25Å; R3-D211 PolarHBondContact NH1-OD2 2.75Å; R3-D211 IonicContact NH2-OD1 3.66Å; R3-D211 PolarHBondContact NH2-OD1 2.8Å; R3-D213 IonicContact CZ-OD2 3.46Å; R3-D213 IonicContact NE-OD2 2.66Å; R3-D213 PolarHBondContact NE-OD2 3.3Å; R3-D213 IonicContact NH2-OD1 3.52Å; R3-D213 PolarHBondContact NH2-OD1 2.75Å; R3-D213 IonicContact NH2-OD2 2.61Å; R3-D213 PolarHBondContact NH2-OD2 2.65Å
4	L	40.8	Very low	39.8	Very low	87 Å²	87	108.7 Å²	108.7	46%	0.455	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-69	-20.5	174.3	-58.1	174	0	0	0	113.7	S2 L6 I126 H246	S2-L4 PolarHBondContact O-N 2.91Å; L4-L6 PolarHBondContact O-N 3.2Å; L4-L6 VanDerWaalsContact O-N 3.09Å; L4-I126 HydrophobicContact CD2-CD1 4.15Å; L4-I126 HydrophobicContact CD2-CG1 3.64Å; L4-H246 VanDerWaalsContact CD1-CE1 3.44Å; L4-H246 WeakPolarHBondContact CD1-CE1 3.39Å
5	S	32.3	Very low	40.8	Very low	69 Å²	69	109.9 Å²	109.9	48%	0.483	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-68.7	-5.8	-175.8	63.9	0	0	0	0	114.7	S2 R3 R7	S2-S5 VanDerWaalsContact O-CB 3.28Å; S2-S5 WeakPolarHBondContact O-CB 3.31Å; S2-S5 PolarHBondContact O-N 3.48Å; S2-S5 PolarHBondContact O-OG 2.99Å; R3-S5 VanDerWaalsContact C-N 3.29Å; R3-S5 PolarHBondContact O-N 3.34Å; S5-R7 PolarHBondContact O-N 3.34Å
6	L	33.8	Very low	41.9	Very low	102 Å²	102	103.3 Å²	103.3	53%	0.534	54%	0.537	S	S	.	.			trans	-74	59.9	169.2	-82.9	163.4	0	0	0	112.3	L4 R8	L4-L6 PolarHBondContact O-N 3.2Å; L4-L6 VanDerWaalsContact O-N 3.09Å; L6-R8 HydrophobicContact CD2-CG 4.12Å; L6-R8 PolarHBondContact O-N 3.36Å
7	R	31	Very low	42.7	Very low	246 Å²	246	101.6 Å²	101.6	93%	0.928	54%	0.536	S	S	*	.			trans	-64.5	71.5	151.7	-87.6	-169.6	170.7	-167.4	-1	109.2	S5	S5-R7 PolarHBondContact O-N 3.34Å
8	R	39.8	Very low	43.3	Very low	159 Å²	159	100.8 Å²	100.8	60%	0.6	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-72.2	144.2	154.3	-66.3	-172.4	-179.9	173.8	5.4	107.1	L6	L6-R8 HydrophobicContact CD2-CG 4.12Å; L6-R8 PolarHBondContact O-N 3.36Å
9	S	35.1	Very low	43.9	Very low	94 Å²	94	100.1 Å²	100.1	66%	0.657	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-51.3	150.4	171.2	48.1	0	0	0	0	110.4
10	P	41.1	Very low	44.9	Very low	104 Å²	104	95.3 Å²	95.3	68%	0.675	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-52.1	134.7	172.1	24.3	-34.1	0	0	0	108.7	H12	P10-H12 PolarHBondContact O-N 3.42Å
11	P	49.9	Very low	46.1	Very low	49 Å²	49	97.1 Å²	97.1	32%	0.318	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-59.6	125.6	176.9	25.1	-32.4	0	0	0	108	T13 H31 F44	P11-T13 PolarHBondContact O-N 3.13Å; P11-H31 WeakPolarHBondContact CG-CD2 3.48Å; P11-F44 HydrophobicContact CB-CZ 4.29Å; P11-F44 HydrophobicContact CG-CZ 3.9Å
12	H	46.4	Very low	48.1	Very low	169 Å²	169	90.3 Å²	90.3	78%	0.782	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-52.1	129.2	172	-68.7	-76.2	0	0	0	108.1	P10 P14	P10-H12 PolarHBondContact O-N 3.42Å; H12-P14 WeakPolarHBondContact O-CD 3.44Å; H12-P14 VanDerWaalsContact O-CG 3.28Å; H12-P14 WeakPolarHBondContact O-CG 3.5Å
13	T	51.5	Low	50.1	Low	87 Å²	87	87.5 Å²	87.5	53%	0.534	47%	0.469	S	S	.	.			trans	-53.4	105.9	177.1	-32.4	0	0	0	0	107.9	P11 I28 F44	P11-T13 PolarHBondContact O-N 3.13Å; T13-I28 HydrophobicContact CG2-CG2 4.35Å; T13-F44 HydrophobicContact CG2-CD1 4.35Å; T13-F44 HydrophobicContact CG2-CE1 4.28Å
14	P	51.8	Low	51.6	Low	31 Å²	31	88.6 Å²	88.6	20%	0.201	48%	0.478	C	S	.	.			trans	-76	148.2	-164.1	-11.8	26.5	0	0	0	109.8	H12 L16	H12-P14 WeakPolarHBondContact O-CD 3.44Å; H12-P14 VanDerWaalsContact O-CG 3.28Å; H12-P14 WeakPolarHBondContact O-CG 3.5Å; P14-L16 HydrophobicContact CB-CD1 3.71Å; P14-L16 HydrophobicContact CB-CG 3.93Å; P14-L16 HydrophobicContact CG-CD1 3.78Å; P14-L16 HydrophobicContact CG-CG 4.49Å; P14-L16 PolarHBondContact O-N 3.07Å
15	T	54.3	Low	53.4	Low	127 Å²	127	88.3 Å²	88.3	78%	0.779	48%	0.477	S	S	*	.			trans	-74.8	61.7	175.6	53.7	0	0	0	0	110.7
16	L	58.3	Low	55.9	Low	4 Å²	4	85.5 Å²	85.5	2%	0.021	46%	0.456	C	S	.	.			trans	-76.2	-31.2	-173.5	-76.6	136.1	0	0	0	113.7	P14 S18 C19 N20 L23 I28 T59 Y109	P14-L16 HydrophobicContact CB-CD1 3.71Å; P14-L16 HydrophobicContact CB-CG 3.93Å; P14-L16 HydrophobicContact CG-CD1 3.78Å; P14-L16 HydrophobicContact CG-CG 4.49Å; P14-L16 PolarHBondContact O-N 3.07Å; L16-S18 PolarHBondContact O-N 3.42Å; L16-S18 VanDerWaalsContact O-N 3.1Å; L16-C19 PolarHBondContact O-N 3.17Å; L16-N20 PolarHBondContact O-N 3.31Å; L16-L23 HydrophobicContact CB-CD1 3.51Å; L16-L23 HydrophobicContact CD1-CD1 4.21Å; L16-L23 HydrophobicContact CD2-CD1 3.88Å; L16-L23 HydrophobicContact CG-CD1 4.06Å; L16-I28 HydrophobicContact CB-CD1 4.15Å; L16-I28 HydrophobicContact CD1-CD1 3.96Å; L16-T59 HydrophobicContact CD1-CG2 3.96Å; L16-T59 HydrophobicContact CD2-CG2 4.48Å; L16-Y109 HydrophobicContact CD2-CD1 4.12Å; L16-Y109 HydrophobicContact CD2-CD2 3.95Å; L16-Y109 HydrophobicContact CD2-CE2 4.4Å; L16-Y109 HydrophobicContact CD2-CG 3.83Å
17	S	55.2	Low	58.4	Low	74 Å²	74	86.8 Å²	86.8	52%	0.517	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.8	-167.6	50.1	0	0	0	0	114.5
18	S	54.3	Low	61.2	Low	88 Å²	88	77.2 Å²	77.2	62%	0.615	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.2	175.4	56.4	0	0	0	0	114.4	L16	L16-S18 PolarHBondContact O-N 3.42Å; L16-S18 VanDerWaalsContact O-N 3.1Å
19	C	54.4	Low	63.6	Low	87 Å²	87	71.1 Å²	71.1	59%	0.588	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	3.5	-163.1	-63.6	0	0	0	0	114.6	L16 T106	L16-C19 PolarHBondContact O-N 3.17Å; C19-T106 WeakPolarHBondContact O-CG2 3.49Å
20	N	62.9	Low	66.3	Low	3 Å²	3	72.9 Å²	72.9	2%	0.016	41%	0.409	C	S	.	.			trans	-142.4	121.4	-174.9	-178	-75	0	0	0	109.6	L16 I22 L23 Q24 E104 T106	L16-N20 PolarHBondContact O-N 3.31Å; N20-I22 PolarHBondContact OD1-N 3.22Å; N20-L23 HydrophobicContact CB-CB 4.22Å; N20-L23 HydrophobicContact CB-CD1 4.11Å; N20-L23 HydrophobicContact CB-CG 4.33Å; N20-L23 PolarHBondContact O-N 2.88Å; N20-L23 WeakPolarHBondContact OD1-CG 3.35Å; N20-L23 PolarHBondContact OD1-N 2.93Å; N20-Q24 PolarHBondContact O-N 3.2Å; N20-E104 VanDerWaalsContact CA-OE1 3.27Å; N20-E104 WeakPolarHBondContact CA-OE1 3.34Å; N20-E104 VanDerWaalsContact CG-CD 3.49Å; N20-E104 WeakPolarHBondContact ND2-CG 3.27Å; N20-E104 PolarHBondContact OD1-OE2 2.88Å; N20-T106 HydrophobicContact CB-CG2 4.41Å
21	H	70.2	Confident	68.8	Low	134 Å²	134	70.8 Å²	70.8	62%	0.62	39%	0.39	S	S	*	.	S	Bend	trans	-68.7	-40.2	-170.7	-71.5	-72	0	0	0	113.1	L23 Q24 E104	H21-L23 PolarHBondContact O-N 3.33Å; H21-Q24 WeakPolarHBondContact O-CB 3.31Å; H21-Q24 PolarHBondContact O-N 2.75Å; H21-E104 IonicContact CD2-OE1 2.76Å; H21-E104 VanDerWaalsContact N-CD 3.29Å; H21-E104 PolarHBondContact N-OE1 3.45Å; H21-E104 PolarHBondContact N-OE2 2.95Å
22	I	71.6	Confident	70.7	Confident	35 Å²	35	69.4 Å²	69.4	18%	0.179	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-58.7	-35	174.8	-69.4	172.9	0	0	0	110.7	N20 H101 D102 E104 I113	N20-I22 PolarHBondContact OD1-N 3.22Å; I22-H101 HydrophobicContact CD1-CB 3.96Å; I22-H101 HydrophobicContact CG1-CB 4.31Å; I22-H101 HydrophobicContact CG2-CB 3.73Å; I22-D102 VanDerWaalsContact CD1-O 3.24Å; I22-D102 WeakPolarHBondContact CD1-O 3.07Å; I22-E104 HydrophobicContact CD1-CB 3.66Å; I22-E104 HydrophobicContact CG1-CB 4.31Å; I22-E104 WeakPolarHBondContact CG1-OE2 3.47Å; I22-E104 PolarHBondContact N-OE2 3.02Å; I22-I113 HydrophobicContact CG2-CD1 3.45Å; I22-I113 VanDerWaalsContact CG2-CD1 3.45Å; I22-I113 HydrophobicContact CG2-CG1 3.87Å
23	L	75.9	Confident	72.9	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-85.9	0.7	-178.8	-62.6	177.7	0	0	0	115.3	L16 N20 H21 N25 V26 I28 V57 T111 I113	L16-L23 HydrophobicContact CB-CD1 3.51Å; L16-L23 HydrophobicContact CD1-CD1 4.21Å; L16-L23 HydrophobicContact CD2-CD1 3.88Å; L16-L23 HydrophobicContact CG-CD1 4.06Å; N20-L23 HydrophobicContact CB-CB 4.22Å; N20-L23 HydrophobicContact CB-CD1 4.11Å; N20-L23 HydrophobicContact CB-CG 4.33Å; N20-L23 PolarHBondContact O-N 2.88Å; N20-L23 WeakPolarHBondContact OD1-CG 3.35Å; N20-L23 PolarHBondContact OD1-N 2.93Å; H21-L23 PolarHBondContact O-N 3.33Å; L23-N25 VanDerWaalsContact C-N 3.25Å; L23-N25 PolarHBondContact O-N 2.98Å; L23-V26 HydrophobicContact CD2-CB 4.38Å; L23-I28 HydrophobicContact CD1-CD1 3.98Å; L23-I28 HydrophobicContact CD2-CD1 4.1Å; L23-I28 HydrophobicContact CD2-CG1 4.41Å; L23-I28 HydrophobicContact CG-CD1 4.49Å; L23-V57 HydrophobicContact CD1-CG1 4.43Å; L23-V57 HydrophobicContact CD2-CB 4.48Å; L23-V57 HydrophobicContact CD2-CG1 3.62Å; L23-V57 HydrophobicContact CD2-CG2 3.97Å; L23-T111 HydrophobicContact CD1-CG2 3.87Å; L23-T111 HydrophobicContact CD2-CG2 4.33Å; L23-T111 HydrophobicContact CG-CG2 4.17Å; L23-I113 HydrophobicContact CD2-CD1 3.96Å
24	Q	72.7	Confident	74.9	Confident	110 Å²	110	59.7 Å²	59.7	51%	0.514	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70.8	-23.6	172.7	-70.3	176.8	-12.9	0	0	112.6	N20 H21	N20-Q24 PolarHBondContact O-N 3.2Å; H21-Q24 WeakPolarHBondContact O-CB 3.31Å; H21-Q24 PolarHBondContact O-N 2.75Å
25	N	79.4	Confident	76.8	Confident	81 Å²	81	58.5 Å²	58.5	43%	0.433	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-110.7	15.5	-178.1	-63.3	-27.6	0	0	0	113.3	L23 E48 S49	L23-N25 VanDerWaalsContact C-N 3.25Å; L23-N25 PolarHBondContact O-N 2.98Å; N25-E48 CarbonylContact O-C 3.57Å; N25-E48 WeakPolarHBondContact O-CA 3.47Å; N25-S49 PolarHBondContact O-N 3.15Å; N25-S49 PolarHBondContact O-OG 3.16Å
26	V	83.9	Confident	78.4	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.7	-173.8	-177.8	0	0	0	0	111.2	L23 I28 M47 V57 I113	L23-V26 HydrophobicContact CD2-CB 4.38Å; V26-I28 PolarHBondContact O-N 3.01Å; V26-M47 WeakPolarHBondContact CA-O 3.42Å; V26-V57 HydrophobicContact CG1-CG2 3.96Å; V26-I113 HydrophobicContact CB-CD1 4.28Å; V26-I113 HydrophobicContact CG1-CD1 4.2Å; V26-I113 HydrophobicContact CG2-CD1 3.73Å
27	E	87.4	Confident	79.7	Confident	129 Å²	129	52.9 Å²	52.9	60%	0.603	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.5	172.1	-70.3	174.6	-150.3	0	0	109.7	G46 M47	E27-G46 CarbonylContact O-C 3.6Å; E27-G46 WeakPolarHBondContact O-CA 3.39Å; E27-M47 PolarHBondContact N-O 3.5Å; E27-M47 PolarHBondContact O-N 3.48Å
28	I	89.9	Confident	81	Confident	45 Å²	45	51.6 Å²	51.6	23%	0.231	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.1	-178.4	-52.1	178.2	0	0	0	109.3	T13 L16 L23 V26 F44	T13-I28 HydrophobicContact CG2-CG2 4.35Å; L16-I28 HydrophobicContact CB-CD1 4.15Å; L16-I28 HydrophobicContact CD1-CD1 3.96Å; L23-I28 HydrophobicContact CD1-CD1 3.98Å; L23-I28 HydrophobicContact CD2-CD1 4.1Å; L23-I28 HydrophobicContact CD2-CG1 4.41Å; L23-I28 HydrophobicContact CG-CD1 4.49Å; V26-I28 PolarHBondContact O-N 3.01Å; I28-F44 HydrophobicContact CG2-CB 3.67Å; I28-F44 HydrophobicContact CG2-CD1 4.23Å; I28-F44 HydrophobicContact CG2-CG 4.06Å
29	G	89.9	Confident	82.7	Confident	32 Å²	32	50.5 Å²	50.5	33%	0.33	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-148.8	177.8	0	0	0	0	0	113.7	E45	G29-E45 PolarHBondContact N-O 2.68Å
30	K	92.1	Very high	84.4	Confident	131 Å²	131	47.3 Å²	47.3	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	155.5	179.7	60.1	177	173.1	173.7	0	112.2	F44 E45	K30-F44 CarbonylContact O-C 3.35Å; K30-F44 WeakPolarHBondContact O-CA 3.47Å; K30-E45 WeakPolarHBondContact CE-OE1 3.33Å; K30-E45 WeakPolarHBondContact CE-OE2 3.33Å; K30-E45 HydrophobicContact CG-CG 4.16Å; K30-E45 WeakPolarHBondContact CG-OE2 3.43Å; K30-E45 IonicContact NZ-OE1 3.91Å; K30-E45 PolarHBondContact NZ-OE1 2.8Å; K30-E45 PolarHBondContact O-N 2.69Å
31	H	92.1	Very high	85.9	Confident	59 Å²	59	47.1 Å²	47.1	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	133.3	165.8	177.3	-83.5	0	0	0	110.7	P11 G33 L43 F44	P11-H31 WeakPolarHBondContact CG-CD2 3.48Å; H31-G33 PolarHBondContact CE1-O 3.3Å; H31-G33 PolarHBondContact NE2-O 3.02Å; H31-L43 CarbonylContact C-O 3.59Å; H31-L43 WeakPolarHBondContact CA-O 3.48Å; H31-F44 HydrophobicContact CB-CD1 3.99Å; H31-F44 HydrophobicContact CB-CE1 3.81Å; H31-F44 HydrophobicContact CB-CZ 4.41Å
32	V	91.3	Very high	87	Confident	20 Å²	20	42 Å²	42	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-31	-177.9	-67.4	0	0	0	0	114.1	L43 E45 T56	V32-L43 HydrophobicContact CG2-CB 3.62Å; V32-L43 PolarHBondContact N-O 2.82Å; V32-E45 HydrophobicContact CG1-CG 3.51Å; V32-T56 HydrophobicContact CG2-CG2 4.4Å
33	G	91.9	Very high	88.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-172.5	-175.8	0	0	0	0	0	113	H31 L43 D123	H31-G33 PolarHBondContact CE1-O 3.3Å; H31-G33 PolarHBondContact NE2-O 3.02Å; G33-L43 WeakPolarHBondContact O-CB 3.18Å; G33-L43 PolarHBondContact O-N 3.04Å; G33-D123 WeakPolarHBondContact CA-OD2 3.25Å
34	R	93.4	Very high	89	Confident	53 Å²	53	40.3 Å²	40.3	20%	0.2	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	162.6	179.3	-63.1	154	-62.1	174.6	3.8	110.6	F39 W41 S120 D123 I126	R34-F39 HydrophobicContact CB-CB 3.84Å; R34-F39 HydrophobicContact CB-CD1 3.69Å; R34-F39 HydrophobicContact CB-CG 4.17Å; R34-W41 CarbonylContact C-O 3.56Å; R34-W41 WeakPolarHBondContact CA-O 3.22Å; R34-W41 WeakPolarHBondContact CB-O 3.44Å; R34-S120 WeakPolarHBondContact O-CB 3.47Å; R34-S120 PolarHBondContact O-OG 3.06Å; R34-D123 IonicContact CZ-OD1 3.03Å; R34-D123 PolarHBondContact N-OD1 3.13Å; R34-D123 PolarHBondContact N-OD2 3.06Å; R34-D123 IonicContact NE-OD1 3.22Å; R34-D123 PolarHBondContact NE-OD1 3.16Å; R34-D123 VanDerWaalsContact NE-OD1 3.13Å; R34-D123 IonicContact NH2-OD1 3.76Å; R34-D123 PolarHBondContact NH2-OD1 3.03Å; R34-I126 VanDerWaalsContact NH2-CD1 3.26Å
35	Y	92.4	Very high	90.1	Very high	5 Å²	5	39 Å²	39	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.1	-171.6	167	-107.6	0	0	0	113.2	W41 F58 D84 A166 L169 G180	Y35-W41 HydrophobicContact CD1-CB 3.99Å; Y35-W41 AromaticContact CD1-CD1 3.36Å; Y35-W41 AromaticContact CD1-CG 3.81Å; Y35-W41 HydrophobicContact CD1-CG 3.81Å; Y35-W41 AromaticContact CE1-CD1 3.8Å; Y35-W41 PolarHBondContact N-O 3.15Å; Y35-W41 PolarHBondContact O-N 3.26Å; Y35-F58 AromaticContact CD1-CD1 3.88Å; Y35-F58 HydrophobicContact CD1-CD1 3.88Å; Y35-F58 AromaticContact CD1-CE1 3.64Å; Y35-F58 HydrophobicContact CD1-CE1 3.64Å; Y35-F58 HydrophobicContact CE1-CE1 4.34Å; Y35-F58 HydrophobicContact CG-CD1 4.4Å; Y35-F58 AromaticContact CG-CE1 3.82Å; Y35-F58 HydrophobicContact CG-CE1 3.82Å; Y35-D84 WeakPolarHBondContact CE1-OD2 3.29Å; Y35-D84 VanDerWaalsContact OH-CG 3.3Å; Y35-D84 PolarHBondContact OH-OD1 3.41Å; Y35-D84 PolarHBondContact OH-OD2 2.61Å; Y35-A166 WeakPolarHBondContact CD2-O 3.49Å; Y35-L169 HydrophobicContact CD2-CD1 3.59Å; Y35-L169 HydrophobicContact CD2-CD2 3.68Å; Y35-L169 HydrophobicContact CD2-CG 3.75Å; Y35-L169 HydrophobicContact CE2-CD1 3.56Å; Y35-L169 HydrophobicContact CE2-CD2 4.44Å; Y35-L169 HydrophobicContact CE2-CG 4.02Å; Y35-L169 HydrophobicContact CG-CD1 4.2Å; Y35-L169 HydrophobicContact CG-CD2 4.16Å; Y35-G180 PolarHBondContact OH-N 3.45Å
36	G	86.3	Confident	90.7	Very high	7 Å²	7	35.4 Å²	35.4	7%	0.072	19%	0.191	C	C	.	.	S	Bend	trans	76.2	-173.3	168.9	0	0	0	0	0	114.5	G38 F39	G36-G38 PolarHBondContact O-N 2.78Å; G36-G38 VanDerWaalsContact O-N 3.12Å; G36-F39 PolarHBondContact O-N 3.4Å
37	P	86.2	Confident	91	Very high	7 Å²	7	39 Å²	39	5%	0.045	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-54.9	117.2	-174.8	-27.2	36.6	0	0	0	112.3	F39 L40 T80 F183 F207	P37-F39 VanDerWaalsContact C-N 3.26Å; P37-F39 PolarHBondContact O-N 3.26Å; P37-L40 WeakPolarHBondContact O-CG 3.16Å; P37-T80 HydrophobicContact CG-CG2 4.46Å; P37-F183 HydrophobicContact CG-CE2 3.9Å; P37-F183 HydrophobicContact CG-CZ 4.19Å; P37-F207 WeakPolarHBondContact CB-O 3.36Å
38	G	83.1	Confident	91	Very high	46 Å²	46	34.6 Å²	34.6	47%	0.474	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	64.8	20.5	179.7	0	0	0	0	0	115.9	G36 L40	G36-G38 PolarHBondContact O-N 2.78Å; G36-G38 VanDerWaalsContact O-N 3.12Å; G38-L40 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 3.05Å
39	F	89.1	Confident	90.8	Very high	66 Å²	66	35.5 Å²	35.5	29%	0.289	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	58	39.4	-178.1	-60.2	-71.1	0	0	0	113.9	R34 G36 P37 A122 A166	R34-F39 HydrophobicContact CB-CB 3.84Å; R34-F39 HydrophobicContact CB-CD1 3.69Å; R34-F39 HydrophobicContact CB-CG 4.17Å; G36-F39 PolarHBondContact O-N 3.4Å; P37-F39 VanDerWaalsContact C-N 3.26Å; P37-F39 PolarHBondContact O-N 3.26Å; F39-A122 HydrophobicContact CE1-CB 3.93Å; F39-A122 HydrophobicContact CZ-CB 3.72Å; F39-A166 HydrophobicContact CD1-CB 4.18Å; F39-A166 HydrophobicContact CE1-CB 3.44Å; F39-A166 VanDerWaalsContact CE1-CB 3.44Å; F39-A166 HydrophobicContact CZ-CB 3.73Å
40	L	91.3	Very high	90.4	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.099	21%	0.211	C	C	.	.			trans	-70.5	-34.7	178.5	-71.1	179.9	0	0	0	113.2	P37 G38 F60 I77 L81 F207	P37-L40 WeakPolarHBondContact O-CG 3.16Å; G38-L40 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 3.05Å; L40-F60 HydrophobicContact CB-CD2 3.81Å; L40-F60 HydrophobicContact CB-CE2 3.9Å; L40-F60 HydrophobicContact CD1-CE2 4.04Å; L40-F60 HydrophobicContact CD2-CE2 4.06Å; L40-F60 HydrophobicContact CG-CE2 4.22Å; L40-F60 WeakPolarHBondContact O-CD2 3.36Å; L40-I77 HydrophobicContact CD1-CG2 3.72Å; L40-L81 HydrophobicContact CD1-CD1 4.22Å; L40-F207 HydrophobicContact CD1-CB 3.68Å; L40-F207 HydrophobicContact CD1-CD2 4.37Å; L40-F207 HydrophobicContact CD1-CG 4.1Å; L40-F207 HydrophobicContact CD2-CD2 4.24Å; L40-F207 HydrophobicContact CD2-CG 4.38Å; L40-F207 HydrophobicContact CG-CB 4.37Å; L40-F207 HydrophobicContact CG-CG 4.38Å
41	W	93.3	Very high	90	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.4	175.4	-65.3	106.7	0	0	0	110.6	R34 Y35 L43 F58 T59 F60 L81 L85 L110 F112	R34-W41 CarbonylContact C-O 3.56Å; R34-W41 WeakPolarHBondContact CA-O 3.22Å; R34-W41 WeakPolarHBondContact CB-O 3.44Å; Y35-W41 HydrophobicContact CD1-CB 3.99Å; Y35-W41 AromaticContact CD1-CD1 3.36Å; Y35-W41 AromaticContact CD1-CG 3.81Å; Y35-W41 HydrophobicContact CD1-CG 3.81Å; Y35-W41 AromaticContact CE1-CD1 3.8Å; Y35-W41 PolarHBondContact N-O 3.15Å; Y35-W41 PolarHBondContact O-N 3.26Å; W41-L43 HydrophobicContact CB-CD1 4.36Å; W41-F58 HydrophobicContact CB-CD1 4.32Å; W41-F58 HydrophobicContact CE3-CB 4.17Å; W41-T59 WeakPolarHBondContact CA-O 3.24Å; W41-F60 HydrophobicContact CD2-CB 4.1Å; W41-F60 HydrophobicContact CE3-CB 3.53Å; W41-F60 HydrophobicContact CH2-CB 4.24Å; W41-F60 HydrophobicContact CZ3-CB 3.6Å; W41-L81 HydrophobicContact CZ2-CB 4.08Å; W41-L81 HydrophobicContact CZ2-CD2 4.47Å; W41-L85 HydrophobicContact CH2-CD1 3.95Å; W41-L85 HydrophobicContact CZ2-CD1 3.97Å; W41-L110 HydrophobicContact CH2-CB 3.72Å; W41-L110 HydrophobicContact CH2-CD1 4.28Å; W41-L110 HydrophobicContact CZ3-CB 3.98Å; W41-F112 AromaticContact CD2-CE1 3.88Å; W41-F112 HydrophobicContact CD2-CE1 3.88Å; W41-F112 AromaticContact CE2-CE1 3.85Å; W41-F112 HydrophobicContact CE3-CD1 4.27Å; W41-F112 AromaticContact CE3-CE1 3.71Å; W41-F112 HydrophobicContact CE3-CE1 3.71Å; W41-F112 AromaticContact CH2-CD1 3.71Å; W41-F112 HydrophobicContact CH2-CD1 3.71Å; W41-F112 AromaticContact CH2-CE1 3.58Å; W41-F112 HydrophobicContact CH2-CE1 3.58Å; W41-F112 HydrophobicContact CZ2-CD1 4.26Å; W41-F112 AromaticContact CZ2-CE1 3.73Å; W41-F112 HydrophobicContact CZ2-CE1 3.73Å; W41-F112 AromaticContact CZ3-CD1 3.71Å; W41-F112 HydrophobicContact CZ3-CD1 3.71Å; W41-F112 AromaticContact CZ3-CE1 3.57Å; W41-F112 HydrophobicContact CZ3-CE1 3.57Å
42	S	94.3	Very high	89.8	Confident	26 Å²	26	35.8 Å²	35.8	18%	0.182	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.5	170.6	-58.3	0	0	0	0	109.7	T59	S42-T59 PolarHBondContact N-O 2.87Å; S42-T59 PolarHBondContact O-N 3.02Å; S42-T59 PolarHBondContact O-OG1 2.83Å; S42-T59 VanDerWaalsContact O-OG1 3.13Å
43	L	95.1	Very high	89.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.5	-175.3	-75	56.2	0	0	0	110.1	H31 V32 G33 W41 T56 V57 F58 I117 L169	H31-L43 CarbonylContact C-O 3.59Å; H31-L43 WeakPolarHBondContact CA-O 3.48Å; V32-L43 HydrophobicContact CG2-CB 3.62Å; V32-L43 PolarHBondContact N-O 2.82Å; G33-L43 WeakPolarHBondContact O-CB 3.18Å; G33-L43 PolarHBondContact O-N 3.04Å; W41-L43 HydrophobicContact CB-CD1 4.36Å; L43-T56 HydrophobicContact CB-CG2 3.88Å; L43-T56 HydrophobicContact CD2-CG2 4.25Å; L43-T56 HydrophobicContact CG-CG2 4.01Å; L43-V57 WeakPolarHBondContact CA-O 3.46Å; L43-F58 HydrophobicContact CD1-CD1 3.5Å; L43-F58 VanDerWaalsContact CD1-CD1 3.5Å; L43-F58 HydrophobicContact CD1-CE1 3.48Å; L43-F58 VanDerWaalsContact CD1-CE1 3.48Å; L43-F58 HydrophobicContact CD1-CG 4.12Å; L43-F58 HydrophobicContact CD1-CZ 4.05Å; L43-F58 HydrophobicContact CD2-CE1 3.81Å; L43-F58 HydrophobicContact CD2-CE2 4.07Å; L43-F58 HydrophobicContact CD2-CZ 3.54Å; L43-F58 HydrophobicContact CG-CD1 3.81Å; L43-F58 HydrophobicContact CG-CD2 4.1Å; L43-F58 HydrophobicContact CG-CE1 3.6Å; L43-F58 HydrophobicContact CG-CE2 3.86Å; L43-F58 HydrophobicContact CG-CG 4.06Å; L43-F58 HydrophobicContact CG-CZ 3.62Å; L43-I117 HydrophobicContact CD2-CG2 3.76Å; L43-L169 HydrophobicContact CD2-CD2 4.22Å
44	F	94.7	Very high	89.7	Confident	1 Å²	1	47 Å²	47	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.8	175.4	-62.8	-99.1	0	0	0	110.3	P11 T13 I28 K30 H31 G46 T56 V57 T59	P11-F44 HydrophobicContact CB-CZ 4.29Å; P11-F44 HydrophobicContact CG-CZ 3.9Å; T13-F44 HydrophobicContact CG2-CD1 4.35Å; T13-F44 HydrophobicContact CG2-CE1 4.28Å; I28-F44 HydrophobicContact CG2-CB 3.67Å; I28-F44 HydrophobicContact CG2-CD1 4.23Å; I28-F44 HydrophobicContact CG2-CG 4.06Å; K30-F44 CarbonylContact O-C 3.35Å; K30-F44 WeakPolarHBondContact O-CA 3.47Å; H31-F44 HydrophobicContact CB-CD1 3.99Å; H31-F44 HydrophobicContact CB-CE1 3.81Å; H31-F44 HydrophobicContact CB-CZ 4.41Å; F44-G46 PolarHBondContact O-N 3.28Å; F44-T56 WeakPolarHBondContact O-CA 3.37Å; F44-T56 WeakPolarHBondContact O-CG2 3.31Å; F44-V57 PolarHBondContact N-O 3.09Å; F44-V57 PolarHBondContact O-N 3.17Å; F44-T59 HydrophobicContact CD2-CG2 4.43Å; F44-T59 WeakPolarHBondContact CE2-OG1 3.38Å
45	E	94.1	Very high	89.8	Confident	83 Å²	83	44.8 Å²	44.8	39%	0.388	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.8	167.8	-66	-176.4	157.2	0	0	109.5	G29 K30 V32	G29-E45 PolarHBondContact N-O 2.68Å; K30-E45 WeakPolarHBondContact CE-OE1 3.33Å; K30-E45 WeakPolarHBondContact CE-OE2 3.33Å; K30-E45 HydrophobicContact CG-CG 4.16Å; K30-E45 WeakPolarHBondContact CG-OE2 3.43Å; K30-E45 IonicContact NZ-OE1 3.91Å; K30-E45 PolarHBondContact NZ-OE1 2.8Å; K30-E45 PolarHBondContact O-N 2.69Å; V32-E45 HydrophobicContact CG1-CG 3.51Å
46	G	92.1	Very high	89.9	Confident	6 Å²	6	44.7 Å²	44.7	6%	0.062	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.6	172.6	0	0	0	0	0	110.9	E27 F44 K54 S55	E27-G46 CarbonylContact O-C 3.6Å; E27-G46 WeakPolarHBondContact O-CA 3.39Å; F44-G46 PolarHBondContact O-N 3.28Å; G46-K54 WeakPolarHBondContact O-CA 3.41Å; G46-S55 WeakPolarHBondContact CA-OG 3.32Å; G46-S55 PolarHBondContact N-O 2.92Å; G46-S55 PolarHBondContact O-N 3.39Å; G46-S55 PolarHBondContact O-OG 3.43Å
47	M	91.7	Very high	90.3	Very high	85 Å²	85	44.3 Å²	44.3	42%	0.419	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.9	168	-161.9	163.8	-172	0	0	109	V26 E27 S49 G52 L53	V26-M47 WeakPolarHBondContact CA-O 3.42Å; E27-M47 PolarHBondContact N-O 3.5Å; E27-M47 PolarHBondContact O-N 3.48Å; M47-S49 PolarHBondContact O-N 2.95Å; M47-G52 WeakPolarHBondContact CE-O 3.48Å; M47-L53 WeakPolarHBondContact CA-O 3.35Å
48	E	87.1	Confident	90.8	Very high	36 Å²	36	44 Å²	44	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	115.8	179.8	-175.1	-166.7	-177.4	0	0	109.8	N25 N50 T51 G52 L53	N25-E48 CarbonylContact O-C 3.57Å; N25-E48 WeakPolarHBondContact O-CA 3.47Å; E48-N50 HydrophobicContact CG-CB 4.33Å; E48-N50 PolarHBondContact O-N 3.44Å; E48-N50 VanDerWaalsContact O-N 3.1Å; E48-T51 PolarHBondContact O-N 2.93Å; E48-T51 VanDerWaalsContact O-N 3.14Å; E48-T51 WeakPolarHBondContact OE2-CB 3.31Å; E48-T51 WeakPolarHBondContact OE2-CG2 3.35Å; E48-T51 PolarHBondContact OE2-OG1 2.66Å; E48-G52 WeakPolarHBondContact O-CA 3.44Å; E48-G52 PolarHBondContact O-N 3.38Å; E48-L53 PolarHBondContact N-O 3.49Å
49	S	84.1	Confident	91.3	Very high	64 Å²	64	42.2 Å²	42.2	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24	-174.2	-52.9	0	0	0	0	113.5	N25 M47	N25-S49 PolarHBondContact O-N 3.15Å; N25-S49 PolarHBondContact O-OG 3.16Å; M47-S49 PolarHBondContact O-N 2.95Å
50	N	81.6	Confident	91.5	Very high	113 Å²	113	39.1 Å²	39.1	60%	0.604	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-28.6	179.8	-64.2	-41.7	0	0	0	114	E48	E48-N50 HydrophobicContact CG-CB 4.33Å; E48-N50 PolarHBondContact O-N 3.44Å; E48-N50 VanDerWaalsContact O-N 3.1Å
51	T	85.5	Confident	91.5	Very high	76 Å²	76	40.5 Å²	40.5	47%	0.466	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-16.6	-168	64.2	0	0	0	0	113.5	E48 L53	E48-T51 PolarHBondContact O-N 2.93Å; E48-T51 VanDerWaalsContact O-N 3.14Å; E48-T51 WeakPolarHBondContact OE2-CB 3.31Å; E48-T51 WeakPolarHBondContact OE2-CG2 3.35Å; E48-T51 PolarHBondContact OE2-OG1 2.66Å; T51-L53 HydrophobicContact CG2-CD1 4.46Å; T51-L53 PolarHBondContact O-N 3.09Å; T51-L53 WeakPolarHBondContact OG1-CB 3.22Å; T51-L53 VanDerWaalsContact OG1-CG 3.3Å; T51-L53 WeakPolarHBondContact OG1-CG 3.19Å; T51-L53 PolarHBondContact OG1-N 3.42Å; T51-L53 VanDerWaalsContact OG1-N 3.13Å
52	G	86.5	Confident	91.3	Very high	39 Å²	39	41.7 Å²	41.7	40%	0.402	23%	0.23	S	C	.	.			trans	67.7	9.3	-169	0	0	0	0	0	113.7	M47 E48 K54	M47-G52 WeakPolarHBondContact CE-O 3.48Å; E48-G52 WeakPolarHBondContact O-CA 3.44Å; E48-G52 PolarHBondContact O-N 3.38Å; G52-K54 PolarHBondContact O-N 2.87Å
53	L	89.4	Confident	91	Very high	105 Å²	105	44.5 Å²	44.5	55%	0.55	24%	0.239	S	C	.	.			trans	-70.7	129	178.8	-68.6	173.3	0	0	0	110.2	M47 E48 T51	M47-L53 WeakPolarHBondContact CA-O 3.35Å; E48-L53 PolarHBondContact N-O 3.49Å; T51-L53 HydrophobicContact CG2-CD1 4.46Å; T51-L53 PolarHBondContact O-N 3.09Å; T51-L53 WeakPolarHBondContact OG1-CB 3.22Å; T51-L53 VanDerWaalsContact OG1-CG 3.3Å; T51-L53 WeakPolarHBondContact OG1-CG 3.19Å; T51-L53 PolarHBondContact OG1-N 3.42Å; T51-L53 VanDerWaalsContact OG1-N 3.13Å
54	K	93.2	Very high	90.6	Very high	149 Å²	149	47 Å²	47	65%	0.648	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.9	170.3	-64.4	-176.4	178.4	-175.8	0	109.5	G46 G52 P116	G46-K54 WeakPolarHBondContact O-CA 3.41Å; G52-K54 PolarHBondContact O-N 2.87Å; K54-P116 HydrophobicContact CB-CG 3.8Å; K54-P116 WeakPolarHBondContact O-CD 3.41Å; K54-P116 VanDerWaalsContact O-CG 3.29Å; K54-P116 WeakPolarHBondContact O-CG 3.34Å
55	S	94.3	Very high	90.2	Very high	7 Å²	7	47 Å²	47	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-178.4	179.9	61.7	0	0	0	0	110.1	G46 T114	G46-S55 WeakPolarHBondContact CA-OG 3.32Å; G46-S55 PolarHBondContact N-O 2.92Å; G46-S55 PolarHBondContact O-N 3.39Å; G46-S55 PolarHBondContact O-OG 3.43Å; S55-T114 WeakPolarHBondContact CA-O 3.39Å; S55-T114 VanDerWaalsContact CB-O 3.27Å; S55-T114 WeakPolarHBondContact CB-O 3.49Å
56	T	95.3	Very high	89.6	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127	168.4	-63.9	0	0	0	0	109.7	V32 L43 F44 F58 I113 T114 I117	V32-T56 HydrophobicContact CG2-CG2 4.4Å; L43-T56 HydrophobicContact CB-CG2 3.88Å; L43-T56 HydrophobicContact CD2-CG2 4.25Å; L43-T56 HydrophobicContact CG-CG2 4.01Å; F44-T56 WeakPolarHBondContact O-CA 3.37Å; F44-T56 WeakPolarHBondContact O-CG2 3.31Å; T56-F58 HydrophobicContact CG2-CD2 3.94Å; T56-F58 HydrophobicContact CG2-CE2 3.64Å; T56-I113 WeakPolarHBondContact O-CA 3.42Å; T56-T114 PolarHBondContact N-O 3.1Å; T56-T114 PolarHBondContact O-N 2.95Å; T56-I117 HydrophobicContact CG2-CB 4.29Å; T56-I117 PolarHBondContact OG1-N 3.35Å; T56-I117 PolarHBondContact OG1-O 3.09Å
57	V	94.9	Very high	88.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.8	177.9	-175.5	0	0	0	0	108.1	L23 V26 L43 F44 T59 T111 I113	L23-V57 HydrophobicContact CD1-CG1 4.43Å; L23-V57 HydrophobicContact CD2-CB 4.48Å; L23-V57 HydrophobicContact CD2-CG1 3.62Å; L23-V57 HydrophobicContact CD2-CG2 3.97Å; V26-V57 HydrophobicContact CG1-CG2 3.96Å; L43-V57 WeakPolarHBondContact CA-O 3.46Å; F44-V57 PolarHBondContact N-O 3.09Å; F44-V57 PolarHBondContact O-N 3.17Å; V57-T59 HydrophobicContact CG1-CG2 3.78Å; V57-T111 HydrophobicContact CG1-CG2 3.9Å; V57-I113 HydrophobicContact CG1-CG1 4.49Å; V57-I113 HydrophobicContact CG2-CD1 4.02Å; V57-I113 HydrophobicContact CG2-CG1 4.19Å
58	F	95	Very high	88.3	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.6	173.6	-77	-118	0	0	0	108.2	Y35 W41 L43 T56 T111 F112 T114 I117 L169	Y35-F58 AromaticContact CD1-CD1 3.88Å; Y35-F58 HydrophobicContact CD1-CD1 3.88Å; Y35-F58 AromaticContact CD1-CE1 3.64Å; Y35-F58 HydrophobicContact CD1-CE1 3.64Å; Y35-F58 HydrophobicContact CE1-CE1 4.34Å; Y35-F58 HydrophobicContact CG-CD1 4.4Å; Y35-F58 AromaticContact CG-CE1 3.82Å; Y35-F58 HydrophobicContact CG-CE1 3.82Å; W41-F58 HydrophobicContact CB-CD1 4.32Å; W41-F58 HydrophobicContact CE3-CB 4.17Å; L43-F58 HydrophobicContact CD1-CD1 3.5Å; L43-F58 VanDerWaalsContact CD1-CD1 3.5Å; L43-F58 HydrophobicContact CD1-CE1 3.48Å; L43-F58 VanDerWaalsContact CD1-CE1 3.48Å; L43-F58 HydrophobicContact CD1-CG 4.12Å; L43-F58 HydrophobicContact CD1-CZ 4.05Å; L43-F58 HydrophobicContact CD2-CE1 3.81Å; L43-F58 HydrophobicContact CD2-CE2 4.07Å; L43-F58 HydrophobicContact CD2-CZ 3.54Å; L43-F58 HydrophobicContact CG-CD1 3.81Å; L43-F58 HydrophobicContact CG-CD2 4.1Å; L43-F58 HydrophobicContact CG-CE1 3.6Å; L43-F58 HydrophobicContact CG-CE2 3.86Å; L43-F58 HydrophobicContact CG-CG 4.06Å; L43-F58 HydrophobicContact CG-CZ 3.62Å; T56-F58 HydrophobicContact CG2-CD2 3.94Å; T56-F58 HydrophobicContact CG2-CE2 3.64Å; F58-T111 VanDerWaalsContact O-CA 3.26Å; F58-T111 WeakPolarHBondContact O-CA 3.25Å; F58-F112 HydrophobicContact CB-CD1 3.69Å; F58-F112 HydrophobicContact CB-CD2 3.97Å; F58-F112 HydrophobicContact CB-CE1 3.29Å; F58-F112 HydrophobicContact CB-CE2 3.62Å; F58-F112 HydrophobicContact CB-CG 4.03Å; F58-F112 HydrophobicContact CB-CZ 3.28Å; F58-F112 AromaticContact CD1-CE1 3.97Å; F58-F112 HydrophobicContact CD1-CE1 3.97Å; F58-F112 AromaticContact CD1-CE2 3.8Å; F58-F112 HydrophobicContact CD1-CE2 3.8Å; F58-F112 AromaticContact CD1-CZ 3.24Å; F58-F112 HydrophobicContact CD1-CZ 3.24Å; F58-F112 HydrophobicContact CD2-CD2 4.33Å; F58-F112 AromaticContact CD2-CE2 3.72Å; F58-F112 HydrophobicContact CD2-CE2 3.72Å; F58-F112 HydrophobicContact CD2-CZ 4.02Å; F58-F112 HydrophobicContact CE1-CE2 4.34Å; F58-F112 AromaticContact CE1-CZ 3.99Å; F58-F112 HydrophobicContact CE1-CZ 3.99Å; F58-F112 HydrophobicContact CE2-CE2 4.31Å; F58-F112 HydrophobicContact CG-CD2 4.19Å; F58-F112 AromaticContact CG-CE1 3.84Å; F58-F112 HydrophobicContact CG-CE1 3.84Å; F58-F112 AromaticContact CG-CE2 3.45Å; F58-F112 HydrophobicContact CG-CE2 3.45Å; F58-F112 VanDerWaalsContact CG-CE2 3.45Å; F58-F112 AromaticContact CG-CZ 3.25Å; F58-F112 HydrophobicContact CG-CZ 3.25Å; F58-F112 PolarHBondContact N-O 2.62Å; F58-F112 PolarHBondContact O-N 3.14Å; F58-F112 VanDerWaalsContact O-N 3.1Å; F58-T114 HydrophobicContact CD2-CG2 3.96Å; F58-T114 HydrophobicContact CE2-CG2 3.74Å; F58-T114 VanDerWaalsContact CE2-OG1 3.3Å; F58-T114 WeakPolarHBondContact CE2-OG1 3.34Å; F58-T114 HydrophobicContact CZ-CG2 4.44Å; F58-I117 HydrophobicContact CE2-CD1 4.05Å; F58-I117 HydrophobicContact CZ-CD1 3.87Å; F58-L169 HydrophobicContact CE1-CD1 4.12Å; F58-L169 HydrophobicContact CZ-CD1 3.97Å; F58-L169 HydrophobicContact CZ-CD2 4.41Å
59	T	93.7	Very high	87.5	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.043	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.6	-179	63.1	0	0	0	0	111.2	L16 W41 S42 F44 V57 T111	L16-T59 HydrophobicContact CD1-CG2 3.96Å; L16-T59 HydrophobicContact CD2-CG2 4.48Å; W41-T59 WeakPolarHBondContact CA-O 3.24Å; S42-T59 PolarHBondContact N-O 2.87Å; S42-T59 PolarHBondContact O-N 3.02Å; S42-T59 PolarHBondContact O-OG1 2.83Å; S42-T59 VanDerWaalsContact O-OG1 3.13Å; F44-T59 HydrophobicContact CD2-CG2 4.43Å; F44-T59 WeakPolarHBondContact CE2-OG1 3.38Å; V57-T59 HydrophobicContact CG1-CG2 3.78Å; T59-T111 HydrophobicContact CG2-CG2 4.4Å
60	F	93.3	Very high	87.2	Confident	1 Å²	1	64 Å²	64	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.8	172.6	164.2	-107	0	0	0	109.4	L40 W41 K62 T64 L65 L78 L81 Y109 L110	L40-F60 HydrophobicContact CB-CD2 3.81Å; L40-F60 HydrophobicContact CB-CE2 3.9Å; L40-F60 HydrophobicContact CD1-CE2 4.04Å; L40-F60 HydrophobicContact CD2-CE2 4.06Å; L40-F60 HydrophobicContact CG-CE2 4.22Å; L40-F60 WeakPolarHBondContact O-CD2 3.36Å; W41-F60 HydrophobicContact CD2-CB 4.1Å; W41-F60 HydrophobicContact CE3-CB 3.53Å; W41-F60 HydrophobicContact CH2-CB 4.24Å; W41-F60 HydrophobicContact CZ3-CB 3.6Å; F60-K62 HydrophobicContact CD1-CG 4.41Å; F60-K62 HydrophobicContact CE1-CG 4.04Å; F60-K62 PolarHBondContact O-N 3.35Å; F60-T64 VanDerWaalsContact CE2-OG1 3.29Å; F60-T64 WeakPolarHBondContact CE2-OG1 3.42Å; F60-L65 HydrophobicContact CE1-CD1 4.45Å; F60-L65 HydrophobicContact CZ-CD1 3.77Å; F60-L65 HydrophobicContact CZ-CD2 4.37Å; F60-L65 HydrophobicContact CZ-CG 3.83Å; F60-L78 HydrophobicContact CE1-CD2 3.75Å; F60-L81 HydrophobicContact CD1-CD1 3.86Å; F60-L81 HydrophobicContact CD2-CD1 4.29Å; F60-L81 HydrophobicContact CE1-CD1 3.76Å; F60-L81 HydrophobicContact CE2-CD1 4.2Å; F60-L81 HydrophobicContact CG-CD1 4.11Å; F60-L81 HydrophobicContact CZ-CD1 3.93Å; F60-Y109 WeakPolarHBondContact O-CA 3.47Å; F60-L110 HydrophobicContact CB-CB 4.35Å; F60-L110 HydrophobicContact CD1-CB 4.16Å; F60-L110 HydrophobicContact CD1-CD1 3.84Å; F60-L110 HydrophobicContact CD1-CG 3.89Å; F60-L110 HydrophobicContact CE1-CD1 4.35Å; F60-L110 PolarHBondContact N-O 3.19Å; F60-L110 PolarHBondContact O-N 2.85Å
61	D	91.8	Very high	87.2	Confident	49 Å²	49	64.7 Å²	64.7	26%	0.262	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.5	175.3	-178.6	-3.1	0	0	0	110.3	K63 T64 Y109	D61-K63 PolarHBondContact O-N 3.26Å; D61-K63 WeakPolarHBondContact OD1-CB 3.42Å; D61-K63 WeakPolarHBondContact OD1-CD 3.3Å; D61-K63 VanDerWaalsContact OD1-CG 3.28Å; D61-K63 WeakPolarHBondContact OD1-CG 3.49Å; D61-K63 PolarHBondContact OD1-N 3.31Å; D61-T64 HydrophobicContact CB-CG2 4.16Å; D61-T64 WeakPolarHBondContact O-CB 3.25Å; D61-T64 WeakPolarHBondContact O-CG2 3.21Å; D61-T64 PolarHBondContact O-N 3.16Å; D61-T64 VanDerWaalsContact O-N 3.14Å; D61-T64 PolarHBondContact O-OG1 3.34Å; D61-Y109 HydrophobicContact CB-CD1 4.06Å; D61-Y109 HydrophobicContact CB-CE1 3.68Å
62	K	90.4	Very high	87.2	Confident	24 Å²	24	71.4 Å²	71.4	10%	0.104	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.8	179.2	-66.7	174	166.8	-176.1	0	112.4	F60 T64 L65 R74 L78 E105 T106 N107 E108	F60-K62 HydrophobicContact CD1-CG 4.41Å; F60-K62 HydrophobicContact CE1-CG 4.04Å; F60-K62 PolarHBondContact O-N 3.35Å; K62-T64 PolarHBondContact O-N 2.84Å; K62-L65 PolarHBondContact O-N 3.19Å; K62-L65 VanDerWaalsContact O-N 3.14Å; K62-R74 PolarHBondContact O-NH2 3.47Å; K62-L78 HydrophobicContact CG-CD2 4.35Å; K62-E105 WeakPolarHBondContact CE-OE1 3.35Å; K62-E105 IonicContact NZ-OE1 3.08Å; K62-E105 PolarHBondContact NZ-OE1 3.44Å; K62-T106 WeakPolarHBondContact CE-O 3.42Å; K62-T106 PolarHBondContact NZ-O 3.19Å; K62-N107 WeakPolarHBondContact CD-O 3.35Å; K62-E108 VanDerWaalsContact CB-O 3.24Å; K62-E108 WeakPolarHBondContact CB-O 3.47Å; K62-E108 WeakPolarHBondContact CG-O 3.48Å; K62-E108 PolarHBondContact N-O 3.05Å
63	K	87.9	Confident	87.2	Confident	86 Å²	86	74.1 Å²	74.1	37%	0.374	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.6	177.2	-59.7	161	-177.9	164.2	0	112.2	D61 L65 D66 E108	D61-K63 PolarHBondContact O-N 3.26Å; D61-K63 WeakPolarHBondContact OD1-CB 3.42Å; D61-K63 WeakPolarHBondContact OD1-CD 3.3Å; D61-K63 VanDerWaalsContact OD1-CG 3.28Å; D61-K63 WeakPolarHBondContact OD1-CG 3.49Å; D61-K63 PolarHBondContact OD1-N 3.31Å; K63-L65 PolarHBondContact O-N 2.98Å; K63-L65 VanDerWaalsContact O-N 3.09Å; K63-D66 VanDerWaalsContact CA-OD2 3.28Å; K63-D66 WeakPolarHBondContact CA-OD2 3.17Å; K63-D66 WeakPolarHBondContact O-CB 3.5Å; K63-D66 PolarHBondContact O-N 3.3Å; K63-D66 VanDerWaalsContact O-OD2 3.13Å; K63-E108 VanDerWaalsContact CE-CD 3.49Å; K63-E108 WeakPolarHBondContact CE-OE1 3.27Å; K63-E108 IonicContact NZ-OE1 2.84Å; K63-E108 PolarHBondContact NZ-OE1 2.82Å; K63-E108 IonicContact NZ-OE2 2.78Å; K63-E108 PolarHBondContact NZ-OE2 2.73Å
64	T	85.7	Confident	87.1	Confident	53 Å²	53	71.9 Å²	71.9	33%	0.325	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-57.2	-25.9	172.4	61.7	0	0	0	0	113.2	F60 D61 K62	F60-T64 VanDerWaalsContact CE2-OG1 3.29Å; F60-T64 WeakPolarHBondContact CE2-OG1 3.42Å; D61-T64 HydrophobicContact CB-CG2 4.16Å; D61-T64 WeakPolarHBondContact O-CB 3.25Å; D61-T64 WeakPolarHBondContact O-CG2 3.21Å; D61-T64 PolarHBondContact O-N 3.16Å; D61-T64 VanDerWaalsContact O-N 3.14Å; D61-T64 PolarHBondContact O-OG1 3.34Å; K62-T64 PolarHBondContact O-N 2.84Å
65	L	85.9	Confident	87	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-89.8	1.8	178.9	-55	-175.5	0	0	0	114.6	F60 K62 K63 R67 V68 R74 I77 L78 F207	F60-L65 HydrophobicContact CE1-CD1 4.45Å; F60-L65 HydrophobicContact CZ-CD1 3.77Å; F60-L65 HydrophobicContact CZ-CD2 4.37Å; F60-L65 HydrophobicContact CZ-CG 3.83Å; K62-L65 PolarHBondContact O-N 3.19Å; K62-L65 VanDerWaalsContact O-N 3.14Å; K63-L65 PolarHBondContact O-N 2.98Å; K63-L65 VanDerWaalsContact O-N 3.09Å; L65-R67 PolarHBondContact O-N 3.31Å; L65-R67 VanDerWaalsContact O-N 3.13Å; L65-V68 HydrophobicContact CB-CG2 4.29Å; L65-V68 HydrophobicContact CD2-CG2 4.2Å; L65-V68 VanDerWaalsContact O-CB 3.29Å; L65-V68 WeakPolarHBondContact O-CB 3.29Å; L65-V68 PolarHBondContact O-N 3.24Å; L65-R74 HydrophobicContact CB-CG 3.85Å; L65-R74 HydrophobicContact CD1-CG 3.72Å; L65-R74 HydrophobicContact CG-CG 4.46Å; L65-I77 HydrophobicContact CD1-CB 4.08Å; L65-I77 HydrophobicContact CD1-CD1 4.34Å; L65-I77 HydrophobicContact CD1-CG2 3.89Å; L65-I77 HydrophobicContact CD2-CD1 3.9Å; L65-I77 HydrophobicContact CD2-CG2 4.24Å; L65-L78 HydrophobicContact CD1-CD2 4.49Å; L65-L78 HydrophobicContact CD1-CG 4.45Å; L65-F207 HydrophobicContact CD2-CD2 4.45Å
66	D	82.7	Confident	86.8	Confident	100 Å²	100	71.4 Å²	71.4	54%	0.535	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-63.4	-18.4	174.2	-69.7	-39.4	0	0	0	112.7	K63 V68 R74	K63-D66 VanDerWaalsContact CA-OD2 3.28Å; K63-D66 WeakPolarHBondContact CA-OD2 3.17Å; K63-D66 WeakPolarHBondContact O-CB 3.5Å; K63-D66 PolarHBondContact O-N 3.3Å; K63-D66 VanDerWaalsContact O-OD2 3.13Å; D66-V68 PolarHBondContact O-N 2.95Å; D66-R74 IonicContact OD1-CZ 3.27Å; D66-R74 IonicContact OD1-NH1 2.67Å; D66-R74 PolarHBondContact OD1-NH1 2.92Å; D66-R74 IonicContact OD1-NH2 3.93Å; D66-R74 PolarHBondContact OD1-NH2 3.34Å; D66-R74 IonicContact OD2-NH2 3.2Å
67	R	77.8	Confident	86.6	Confident	202 Å²	202	71.3 Å²	71.3	76%	0.762	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-79.4	2.9	172.4	-52.2	-176.1	-171.9	-160.2	0.9	113.6	L65 N69	L65-R67 PolarHBondContact O-N 3.31Å; L65-R67 VanDerWaalsContact O-N 3.13Å; R67-N69 PolarHBondContact O-OD1 2.97Å
68	V	78.6	Confident	86.4	Confident	31 Å²	31	72.1 Å²	72.1	19%	0.188	33%	0.333	C	S	.	.			trans	-103.6	93.8	-178.7	-175.9	0	0	0	0	109.2	L65 D66 K70 R73 I77	L65-V68 HydrophobicContact CB-CG2 4.29Å; L65-V68 HydrophobicContact CD2-CG2 4.2Å; L65-V68 VanDerWaalsContact O-CB 3.29Å; L65-V68 WeakPolarHBondContact O-CB 3.29Å; L65-V68 PolarHBondContact O-N 3.24Å; D66-V68 PolarHBondContact O-N 2.95Å; V68-K70 PolarHBondContact O-N 3.41Å; V68-R73 HydrophobicContact CG1-CB 3.55Å; V68-I77 HydrophobicContact CG2-CD1 4.4Å
69	N	69.4	Low	86.3	Confident	155 Å²	155	77.1 Å²	77.1	83%	0.829	36%	0.357	S	S	*	.	S	Bend	trans	-62.1	16.2	-167.7	-54.5	5.8	0	0	0	117.4	R67	R67-N69 PolarHBondContact O-OD1 2.97Å
70	K	78.7	Confident	86.2	Confident	144 Å²	144	77.2 Å²	77.2	63%	0.626	36%	0.358	S	S	*	.			trans	-149.6	122.8	176.8	-62.7	-169.5	178.9	-170.9	0	110.8	V68 R72 R73 R74	V68-K70 PolarHBondContact O-N 3.41Å; K70-R72 PolarHBondContact O-N 2.85Å; K70-R73 HydrophobicContact CB-CB 4.41Å; K70-R73 HydrophobicContact CB-CG 4.42Å; K70-R73 WeakPolarHBondContact O-CA 3.4Å; K70-R73 WeakPolarHBondContact O-CB 3.35Å; K70-R73 PolarHBondContact O-N 3.47Å; K70-R74 PolarHBondContact O-N 2.85Å
71	N	82.1	Confident	86.2	Confident	127 Å²	127	77.2 Å²	77.2	68%	0.679	36%	0.357	S	S	*	.	H	α-helix	trans	-51.4	-50.1	179.6	-63.6	17.8	0	0	0	112.1	R73 R74 D75	N71-R73 CarbonylContact O-C 3.6Å; N71-R73 PolarHBondContact O-N 3.34Å; N71-R74 CarbonylContact O-C 3.58Å; N71-R74 VanDerWaalsContact O-CA 3.29Å; N71-R74 WeakPolarHBondContact O-CA 3.37Å; N71-R74 WeakPolarHBondContact O-CB 3.44Å; N71-R74 PolarHBondContact O-N 3Å; N71-D75 PolarHBondContact O-N 2.92Å
72	R	84.6	Confident	86.2	Confident	216 Å²	216	78.5 Å²	78.5	82%	0.815	36%	0.359	S	S	*	.	H	α-helix	trans	-52.6	-25.8	176.5	-175.6	174.9	176.1	-175.4	0.5	114.9	K70 D75 L76	K70-R72 PolarHBondContact O-N 2.85Å; R72-D75 VanDerWaalsContact CA-OD2 3.31Å; R72-D75 WeakPolarHBondContact CA-OD2 3.46Å; R72-D75 PolarHBondContact N-OD2 3.1Å; R72-L76 WeakPolarHBondContact O-CB 3.38Å; R72-L76 PolarHBondContact O-N 2.72Å
73	R	86.2	Confident	86.3	Confident	96 Å²	96	80 Å²	80	36%	0.362	37%	0.368	S	S	.	.	H	α-helix	trans	-81.1	-34.3	173.1	-79.4	-174.8	159.7	-169.7	-8.1	112.3	V68 K70 N71 I77 V202 K203 P205	V68-R73 HydrophobicContact CG1-CB 3.55Å; K70-R73 HydrophobicContact CB-CB 4.41Å; K70-R73 HydrophobicContact CB-CG 4.42Å; K70-R73 WeakPolarHBondContact O-CA 3.4Å; K70-R73 WeakPolarHBondContact O-CB 3.35Å; K70-R73 PolarHBondContact O-N 3.47Å; N71-R73 CarbonylContact O-C 3.6Å; N71-R73 PolarHBondContact O-N 3.34Å; R73-I77 WeakPolarHBondContact O-CD1 3.35Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.21Å; R73-I77 PolarHBondContact O-N 2.87Å; R73-V202 PolarHBondContact NH2-O 2.95Å; R73-K203 PolarHBondContact NH2-O 3.48Å; R73-P205 HydrophobicContact CB-CG 3.65Å; R73-P205 HydrophobicContact CG-CG 3.68Å
74	R	88.4	Confident	86.5	Confident	58 Å²	58	75.9 Å²	75.9	22%	0.219	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-47.1	170.8	-168	178.7	-155.1	142.3	3.2	111	K62 L65 D66 K70 N71 L76 I77 L78	K62-R74 PolarHBondContact O-NH2 3.47Å; L65-R74 HydrophobicContact CB-CG 3.85Å; L65-R74 HydrophobicContact CD1-CG 3.72Å; L65-R74 HydrophobicContact CG-CG 4.46Å; D66-R74 IonicContact OD1-CZ 3.27Å; D66-R74 IonicContact OD1-NH1 2.67Å; D66-R74 PolarHBondContact OD1-NH1 2.92Å; D66-R74 IonicContact OD1-NH2 3.93Å; D66-R74 PolarHBondContact OD1-NH2 3.34Å; D66-R74 IonicContact OD2-NH2 3.2Å; K70-R74 PolarHBondContact O-N 2.85Å; N71-R74 CarbonylContact O-C 3.58Å; N71-R74 VanDerWaalsContact O-CA 3.29Å; N71-R74 WeakPolarHBondContact O-CA 3.37Å; N71-R74 WeakPolarHBondContact O-CB 3.44Å; N71-R74 PolarHBondContact O-N 3Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.14Å; R74-I77 PolarHBondContact O-N 2.99Å; R74-I77 VanDerWaalsContact O-N 3.15Å; R74-L78 HydrophobicContact CG-CD1 4.35Å; R74-L78 WeakPolarHBondContact O-CG 3.31Å; R74-L78 PolarHBondContact O-N 2.96Å
75	D	89.7	Confident	86.7	Confident	85 Å²	85	73.4 Å²	73.4	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-45.2	-179.2	-52.9	-35.2	0	0	0	111.1	N71 R72 I77 L78 E79	N71-D75 PolarHBondContact O-N 2.92Å; R72-D75 VanDerWaalsContact CA-OD2 3.31Å; R72-D75 WeakPolarHBondContact CA-OD2 3.46Å; R72-D75 PolarHBondContact N-OD2 3.1Å; D75-I77 PolarHBondContact O-N 3.37Å; D75-L78 PolarHBondContact O-N 3.04Å; D75-E79 WeakPolarHBondContact O-CB 3.4Å; D75-E79 PolarHBondContact O-N 2.88Å
76	L	89.9	Confident	86.9	Confident	62 Å²	62	77 Å²	77	33%	0.325	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-34.4	177.2	-176.6	63.2	0	0	0	113.3	R72 R74 T80 V204 A208	R72-L76 WeakPolarHBondContact O-CB 3.38Å; R72-L76 PolarHBondContact O-N 2.72Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.14Å; L76-T80 WeakPolarHBondContact O-CB 3.45Å; L76-T80 PolarHBondContact O-N 2.92Å; L76-T80 PolarHBondContact O-OG1 2.69Å; L76-V204 HydrophobicContact CD2-CG1 3.89Å; L76-A208 HydrophobicContact CD2-CB 4.34Å; L76-A208 HydrophobicContact CG-CB 4.08Å
77	I	91.6	Very high	87.4	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-45.5	172.2	-64	161.8	0	0	0	109.8	L40 L65 V68 R73 R74 D75 E79 T80 L81 P205 F207 A208	L40-I77 HydrophobicContact CD1-CG2 3.72Å; L65-I77 HydrophobicContact CD1-CB 4.08Å; L65-I77 HydrophobicContact CD1-CD1 4.34Å; L65-I77 HydrophobicContact CD1-CG2 3.89Å; L65-I77 HydrophobicContact CD2-CD1 3.9Å; L65-I77 HydrophobicContact CD2-CG2 4.24Å; V68-I77 HydrophobicContact CG2-CD1 4.4Å; R73-I77 WeakPolarHBondContact O-CD1 3.35Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.21Å; R73-I77 PolarHBondContact O-N 2.87Å; R74-I77 PolarHBondContact O-N 2.99Å; R74-I77 VanDerWaalsContact O-N 3.15Å; D75-I77 PolarHBondContact O-N 3.37Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 2.92Å; I77-T80 WeakPolarHBondContact O-CB 3.33Å; I77-T80 PolarHBondContact O-N 3.01Å; I77-L81 HydrophobicContact CG2-CD1 4.12Å; I77-L81 HydrophobicContact CG2-CG 4.44Å; I77-L81 WeakPolarHBondContact O-CG 3.43Å; I77-L81 PolarHBondContact O-N 3.4Å; I77-P205 HydrophobicContact CD1-CB 3.86Å; I77-P205 HydrophobicContact CD1-CG 4.21Å; I77-P205 HydrophobicContact CG1-CB 4.03Å; I77-P205 HydrophobicContact CG1-CG 4.26Å; I77-F207 HydrophobicContact CD1-CB 4.27Å; I77-F207 HydrophobicContact CD1-CD2 4.29Å; I77-F207 HydrophobicContact CG1-CB 4.3Å; I77-F207 HydrophobicContact CG2-CB 4.32Å; I77-A208 HydrophobicContact CG1-CB 3.9Å
78	L	92	Very high	88.1	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-39.6	177.1	-66.5	169.8	0	0	0	111.9	F60 K62 L65 R74 D75 L81 R82 L110	F60-L78 HydrophobicContact CE1-CD2 3.75Å; K62-L78 HydrophobicContact CG-CD2 4.35Å; L65-L78 HydrophobicContact CD1-CD2 4.49Å; L65-L78 HydrophobicContact CD1-CG 4.45Å; R74-L78 HydrophobicContact CG-CD1 4.35Å; R74-L78 WeakPolarHBondContact O-CG 3.31Å; R74-L78 PolarHBondContact O-N 2.96Å; D75-L78 PolarHBondContact O-N 3.04Å; L78-L81 PolarHBondContact O-N 3.06Å; L78-R82 VanDerWaalsContact O-CG 3.31Å; L78-R82 WeakPolarHBondContact O-CG 3.49Å; L78-R82 PolarHBondContact O-N 3.28Å; L78-L110 HydrophobicContact CD2-CD1 4.15Å
79	E	91.7	Very high	88.6	Confident	106 Å²	106	65.5 Å²	65.5	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-61.9	-45	173.1	-174	179.9	-176.8	0	0	111.8	D75 I77 L81 R82 N83	D75-E79 WeakPolarHBondContact O-CB 3.4Å; D75-E79 PolarHBondContact O-N 2.88Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 2.92Å; E79-L81 PolarHBondContact O-N 3.4Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-N83 WeakPolarHBondContact O-CB 3.48Å; E79-N83 VanDerWaalsContact O-CG 3.25Å; E79-N83 PolarHBondContact O-N 2.95Å; E79-N83 PolarHBondContact O-ND2 3.03Å
80	T	91.8	Very high	89.7	Confident	10 Å²	10	64.3 Å²	64.3	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-50.7	175.5	-57	0	0	0	0	110.9	P37 L76 I77 R82 N83 D84 N182 F183	P37-T80 HydrophobicContact CG-CG2 4.46Å; L76-T80 WeakPolarHBondContact O-CB 3.45Å; L76-T80 PolarHBondContact O-N 2.92Å; L76-T80 PolarHBondContact O-OG1 2.69Å; I77-T80 WeakPolarHBondContact O-CB 3.33Å; I77-T80 PolarHBondContact O-N 3.01Å; T80-R82 PolarHBondContact O-N 3.44Å; T80-N83 PolarHBondContact O-N 3.46Å; T80-D84 PolarHBondContact O-N 3.36Å; T80-N182 HydrophobicContact CG2-CB 3.75Å; T80-N182 PolarHBondContact O-OD1 2.93Å; T80-F183 HydrophobicContact CG2-CE1 3.82Å; T80-F183 HydrophobicContact CG2-CE2 4.32Å; T80-F183 HydrophobicContact CG2-CZ 3.58Å
81	L	92.7	Very high	90.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-35.9	-178.7	-62.6	173.2	0	0	0	113	L40 W41 F60 I77 L78 E79 L110	L40-L81 HydrophobicContact CD1-CD1 4.22Å; W41-L81 HydrophobicContact CZ2-CB 4.08Å; W41-L81 HydrophobicContact CZ2-CD2 4.47Å; F60-L81 HydrophobicContact CD1-CD1 3.86Å; F60-L81 HydrophobicContact CD2-CD1 4.29Å; F60-L81 HydrophobicContact CE1-CD1 3.76Å; F60-L81 HydrophobicContact CE2-CD1 4.2Å; F60-L81 HydrophobicContact CG-CD1 4.11Å; F60-L81 HydrophobicContact CZ-CD1 3.93Å; I77-L81 HydrophobicContact CG2-CD1 4.12Å; I77-L81 HydrophobicContact CG2-CG 4.44Å; I77-L81 WeakPolarHBondContact O-CG 3.43Å; I77-L81 PolarHBondContact O-N 3.4Å; L78-L81 PolarHBondContact O-N 3.06Å; E79-L81 PolarHBondContact O-N 3.4Å; L81-L110 HydrophobicContact CB-CD1 4.38Å
82	R	92.5	Very high	90.5	Very high	76 Å²	76	60 Å²	60	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-36.9	174.4	-71.4	-178.3	-161.3	110.7	-6.4	112.1	L78 E79 T80 D84 L85 I86 I103 E105	L78-R82 VanDerWaalsContact O-CG 3.31Å; L78-R82 WeakPolarHBondContact O-CG 3.49Å; L78-R82 PolarHBondContact O-N 3.28Å; E79-R82 PolarHBondContact O-N 3.47Å; T80-R82 PolarHBondContact O-N 3.44Å; R82-D84 VanDerWaalsContact C-N 3.27Å; R82-D84 PolarHBondContact O-N 3.2Å; R82-L85 PolarHBondContact O-N 3.47Å; R82-I86 HydrophobicContact CB-CD1 4.3Å; R82-I86 WeakPolarHBondContact O-CB 3.47Å; R82-I86 VanDerWaalsContact O-CG1 3.3Å; R82-I86 WeakPolarHBondContact O-CG1 3.45Å; R82-I86 PolarHBondContact O-N 3.09Å; R82-I103 HydrophobicContact CG-CD1 4.15Å; R82-E105 IonicContact CZ-OE1 3.2Å; R82-E105 IonicContact CZ-OE2 2.82Å; R82-E105 VanDerWaalsContact CZ-OE2 3.28Å; R82-E105 IonicContact NE-OE1 3.42Å; R82-E105 IonicContact NE-OE2 2.76Å; R82-E105 PolarHBondContact NE-OE2 2.8Å; R82-E105 VanDerWaalsContact NH2-CD 3.27Å; R82-E105 IonicContact NH2-OE1 3.78Å; R82-E105 PolarHBondContact NH2-OE1 3.33Å; R82-E105 IonicContact NH2-OE2 3.4Å; R82-E105 PolarHBondContact NH2-OE2 3.21Å
83	N	91.9	Very high	90.9	Very high	55 Å²	55	51.4 Å²	51.4	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-33.8	-179.8	-76.9	-26.2	0	0	0	112.6	E79 T80 L85 N87	E79-N83 WeakPolarHBondContact O-CB 3.48Å; E79-N83 VanDerWaalsContact O-CG 3.25Å; E79-N83 PolarHBondContact O-N 2.95Å; E79-N83 PolarHBondContact O-ND2 3.03Å; T80-N83 PolarHBondContact O-N 3.46Å; N83-L85 PolarHBondContact O-N 2.89Å; N83-N87 VanDerWaalsContact O-CB 3.28Å; N83-N87 WeakPolarHBondContact O-CB 3.39Å; N83-N87 PolarHBondContact O-N 3.48Å; N83-N87 PolarHBondContact O-ND2 3.3Å; N83-N87 VanDerWaalsContact O-ND2 3.17Å
84	D	92	Very high	91.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.5	-52.4	173.8	-155.1	1.9	0	0	0	111.4	Y35 T80 R82 N87 L88 L181 N182	Y35-D84 WeakPolarHBondContact CE1-OD2 3.29Å; Y35-D84 VanDerWaalsContact OH-CG 3.3Å; Y35-D84 PolarHBondContact OH-OD1 3.41Å; Y35-D84 PolarHBondContact OH-OD2 2.61Å; T80-D84 PolarHBondContact O-N 3.36Å; R82-D84 VanDerWaalsContact C-N 3.27Å; R82-D84 PolarHBondContact O-N 3.2Å; D84-N87 PolarHBondContact O-N 3.33Å; D84-L88 WeakPolarHBondContact O-CB 2.95Å; D84-L88 PolarHBondContact O-N 3.38Å; D84-L181 WeakPolarHBondContact OD1-CA 3.33Å; D84-L181 WeakPolarHBondContact OD1-CB 3.44Å; D84-L181 PolarHBondContact OD1-N 3.33Å; D84-N182 PolarHBondContact OD2-ND2 3.34Å
85	L	89.8	Confident	91.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-76.4	-37.1	-174.1	-60.1	169.3	0	0	0	112.3	W41 R82 N83 N87 L88 N89 L99 I103 F112	W41-L85 HydrophobicContact CH2-CD1 3.95Å; W41-L85 HydrophobicContact CZ2-CD1 3.97Å; R82-L85 PolarHBondContact O-N 3.47Å; N83-L85 PolarHBondContact O-N 2.89Å; L85-N87 PolarHBondContact O-N 3.31Å; L85-L88 HydrophobicContact CD2-CD2 4.35Å; L85-L88 PolarHBondContact O-N 3.2Å; L85-N89 PolarHBondContact O-N 2.66Å; L85-N89 PolarHBondContact O-ND2 2.9Å; L85-L99 HydrophobicContact CD2-CD2 4.21Å; L85-I103 HydrophobicContact CD1-CB 3.96Å; L85-I103 HydrophobicContact CD1-CD1 3.89Å; L85-I103 HydrophobicContact CD1-CG1 3.99Å; L85-F112 HydrophobicContact CD1-CB 4.42Å; L85-F112 HydrophobicContact CD1-CD1 3.42Å; L85-F112 VanDerWaalsContact CD1-CD1 3.42Å; L85-F112 HydrophobicContact CD1-CE1 3.76Å; L85-F112 HydrophobicContact CD1-CG 4.03Å; L85-F112 HydrophobicContact CD2-CD1 3.64Å; L85-F112 HydrophobicContact CD2-CD2 3.76Å; L85-F112 HydrophobicContact CD2-CE1 3.57Å; L85-F112 HydrophobicContact CD2-CE2 3.69Å; L85-F112 HydrophobicContact CD2-CG 3.71Å; L85-F112 HydrophobicContact CD2-CZ 3.58Å; L85-F112 HydrophobicContact CG-CD1 4.17Å; L85-F112 HydrophobicContact CG-CE1 4.2Å
86	I	91.5	Very high	91.7	Very high	76 Å²	76	45.6 Å²	45.6	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-57.5	-35	168.8	-73.5	167.7	0	0	0	111	R82 K90	R82-I86 HydrophobicContact CB-CD1 4.3Å; R82-I86 WeakPolarHBondContact O-CB 3.47Å; R82-I86 VanDerWaalsContact O-CG1 3.3Å; R82-I86 WeakPolarHBondContact O-CG1 3.45Å; R82-I86 PolarHBondContact O-N 3.09Å; I86-K90 WeakPolarHBondContact O-CD 3.39Å; I86-K90 WeakPolarHBondContact O-CE 3.42Å; I86-K90 VanDerWaalsContact O-CG 3.28Å; I86-K90 WeakPolarHBondContact O-CG 3.48Å
87	N	93.3	Very high	91.9	Very high	25 Å²	25	43 Å²	43	13%	0.134	21%	0.207	C	C	.	.	H	α-helix	trans	-86.1	-34.5	179.2	-69.9	-22.5	0	0	0	112.8	N83 D84 L85 N89 K90 L91 L181 L184	N83-N87 VanDerWaalsContact O-CB 3.28Å; N83-N87 WeakPolarHBondContact O-CB 3.39Å; N83-N87 PolarHBondContact O-N 3.48Å; N83-N87 PolarHBondContact O-ND2 3.3Å; N83-N87 VanDerWaalsContact O-ND2 3.17Å; D84-N87 PolarHBondContact O-N 3.33Å; L85-N87 PolarHBondContact O-N 3.31Å; N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 3.43Å; N87-K90 WeakPolarHBondContact O-CB 3.38Å; N87-K90 PolarHBondContact O-N 3.14Å; N87-K90 VanDerWaalsContact O-N 3.09Å; N87-K90 PolarHBondContact OD1-NZ 2.82Å; N87-L91 PolarHBondContact O-N 3.22Å; N87-L181 HydrophobicContact CB-CB 3.83Å; N87-L181 HydrophobicContact CB-CD1 4.31Å; N87-L181 PolarHBondContact ND2-O 3.2Å; N87-L184 HydrophobicContact CB-CD1 3.81Å
88	L	91.8	Very high	91.8	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-40.1	175.5	-162.4	63.5	0	0	0	111.7	D84 L85 K90 F96 V97 L99 L181	D84-L88 WeakPolarHBondContact O-CB 2.95Å; D84-L88 PolarHBondContact O-N 3.38Å; L85-L88 HydrophobicContact CD2-CD2 4.35Å; L85-L88 PolarHBondContact O-N 3.2Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 2.84Å; L88-F96 HydrophobicContact CD1-CB 4.11Å; L88-V97 HydrophobicContact CD1-CB 4.41Å; L88-V97 VanDerWaalsContact CD1-O 3.26Å; L88-V97 WeakPolarHBondContact CD1-O 3.43Å; L88-V97 HydrophobicContact CD2-CB 4.4Å; L88-V97 WeakPolarHBondContact CG-O 3.23Å; L88-L99 HydrophobicContact CB-CD1 4.16Å; L88-L99 HydrophobicContact CD2-CD1 4.09Å; L88-L99 HydrophobicContact CD2-CD2 4.1Å; L88-L99 HydrophobicContact CD2-CG 3.83Å; L88-L99 HydrophobicContact CG-CD1 4.21Å; L88-L99 HydrophobicContact CG-CG 4.27Å; L88-L181 HydrophobicContact CB-CD1 4.03Å; L88-L181 HydrophobicContact CD1-CD1 3.66Å; L88-L181 HydrophobicContact CG-CD1 4.49Å
89	N	89.8	Confident	91.8	Very high	55 Å²	55	49.7 Å²	49.7	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.9	172.5	-84	-63.6	0	0	0	114.1	L85 N87 K92 L99 D102	L85-N89 PolarHBondContact O-N 2.66Å; L85-N89 PolarHBondContact O-ND2 2.9Å; N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 3.43Å; N89-K92 WeakPolarHBondContact O-CE 3.43Å; N89-L99 VanDerWaalsContact ND2-CD1 3.35Å; N89-L99 WeakPolarHBondContact ND2-CD1 3.44Å; N89-D102 VanDerWaalsContact ND2-CG 3.34Å; N89-D102 PolarHBondContact ND2-OD1 3.09Å; N89-D102 PolarHBondContact ND2-OD2 2.94Å
90	K	92	Very high	91.7	Very high	130 Å²	130	48.3 Å²	48.3	57%	0.565	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-44.7	179.2	-65.3	166.5	-163.4	162.4	0	111.7	I86 N87 L88 K92	I86-K90 WeakPolarHBondContact O-CD 3.39Å; I86-K90 WeakPolarHBondContact O-CE 3.42Å; I86-K90 VanDerWaalsContact O-CG 3.28Å; I86-K90 WeakPolarHBondContact O-CG 3.48Å; N87-K90 WeakPolarHBondContact O-CB 3.38Å; N87-K90 PolarHBondContact O-N 3.14Å; N87-K90 VanDerWaalsContact O-N 3.09Å; N87-K90 PolarHBondContact OD1-NZ 2.82Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 2.84Å; K90-K92 PolarHBondContact O-N 3.05Å; K90-K92 VanDerWaalsContact O-N 3.09Å
91	L	92.4	Very high	91.5	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.042	24%	0.244	C	C	.	.			trans	-85.7	78.2	-170.5	-65.3	-168.5	0	0	0	112.3	N87 H93 F96 Y151 L152 Q156 L158 L181 L184	N87-L91 PolarHBondContact O-N 3.22Å; L91-H93 PolarHBondContact O-N 3.46Å; L91-H93 VanDerWaalsContact O-N 3.08Å; L91-F96 HydrophobicContact CB-CD2 3.82Å; L91-F96 HydrophobicContact CB-CE2 3.85Å; L91-F96 HydrophobicContact CD1-CE2 4.05Å; L91-F96 HydrophobicContact CD1-CZ 4.18Å; L91-F96 VanDerWaalsContact O-CD2 3.32Å; L91-F96 WeakPolarHBondContact O-CD2 3.17Å; L91-Y151 HydrophobicContact CD2-CE1 4.49Å; L91-L152 HydrophobicContact CD1-CD1 3.7Å; L91-Q156 HydrophobicContact CD2-CG 3.88Å; L91-L158 HydrophobicContact CD2-CD1 4.44Å; L91-L181 HydrophobicContact CD1-CD1 4.31Å; L91-L181 HydrophobicContact CD1-CD2 4.33Å; L91-L184 HydrophobicContact CD1-CD1 3.6Å
92	K	85.8	Confident	91.2	Very high	173 Å²	173	54.5 Å²	54.5	75%	0.752	26%	0.264	S	S	*	.			trans	-80.7	89.3	-179.7	-59	-168.1	178.9	-168.5	0	111.5	N89 K90	N89-K92 WeakPolarHBondContact O-CE 3.43Å; K90-K92 PolarHBondContact O-N 3.05Å; K90-K92 VanDerWaalsContact O-N 3.09Å
93	H	91.6	Very high	90.9	Very high	34 Å²	34	53.4 Å²	53.4	16%	0.157	26%	0.264	C	S	.	.			trans	-136.6	142.2	175.5	-167.6	-115.2	0	0	0	111	L91 R95 F96 D147 Y151	L91-H93 PolarHBondContact O-N 3.46Å; L91-H93 VanDerWaalsContact O-N 3.08Å; H93-R95 PolarHBondContact O-N 3.25Å; H93-F96 HydrophobicContact CB-CD2 3.54Å; H93-F96 HydrophobicContact CB-CE2 3.84Å; H93-F96 PolarHBondContact O-N 3.15Å; H93-D147 IonicContact CE1-OD2 3.84Å; H93-Y151 HydrophobicContact CB-CD1 4.02Å; H93-Y151 HydrophobicContact CB-CE1 3.97Å; H93-Y151 HydrophobicContact CB-CE2 4.49Å; H93-Y151 HydrophobicContact CB-CG 4.29Å; H93-Y151 AromaticContact CD2-CD2 3.51Å; H93-Y151 AromaticContact CD2-CE2 3.97Å; H93-Y151 AromaticContact CD2-CG 3.66Å; H93-Y151 AromaticContact CG-CG 3.83Å; H93-Y151 AromaticContact NE2-CD2 3.99Å
94	P	91.7	Very high	90.7	Very high	82 Å²	82	52.4 Å²	52.4	53%	0.532	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.8	-176.8	-25.9	35.9	0	0	0	116	K177	P94-K177 VanDerWaalsContact O-CE 3.24Å; P94-K177 WeakPolarHBondContact O-CE 3.45Å
95	R	95.4	Very high	90.5	Very high	31 Å²	31	56.3 Å²	56.3	12%	0.117	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.7	177.8	-47.4	-59.3	-176.9	-168.3	2.1	114	H93 Q144 D147 A148 K177 L178 E316	H93-R95 PolarHBondContact O-N 3.25Å; R95-Q144 WeakPolarHBondContact CG-O 3.37Å; R95-D147 HydrophobicContact CG-CB 4.23Å; R95-D147 IonicContact CZ-OD2 3.4Å; R95-D147 IonicContact NE-OD2 3.7Å; R95-D147 PolarHBondContact NE-OD2 2.92Å; R95-D147 IonicContact NH2-OD2 2.64Å; R95-D147 PolarHBondContact NH2-OD2 3.03Å; R95-A148 HydrophobicContact CB-CB 3.67Å; R95-A148 HydrophobicContact CG-CB 4.49Å; R95-K177 CarbonylContact O-C 3.59Å; R95-K177 VanDerWaalsContact O-CA 3.3Å; R95-K177 WeakPolarHBondContact O-CA 3.2Å; R95-L178 PolarHBondContact O-N 3.37Å; R95-E316 IonicContact CZ-OE1 2.65Å; R95-E316 IonicContact NH1-OE1 3.02Å; R95-E316 IonicContact NH2-OE1 3.4Å; R95-E316 PolarHBondContact NH2-OE1 3.27Å
96	F	95.3	Very high	90.4	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.018	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-97.8	156.2	164.8	-60.4	-55.7	0	0	0	109.3	L88 L91 H93 A148 Y151 L152 K177 L178 L181	L88-F96 HydrophobicContact CD1-CB 4.11Å; L91-F96 HydrophobicContact CB-CD2 3.82Å; L91-F96 HydrophobicContact CB-CE2 3.85Å; L91-F96 HydrophobicContact CD1-CE2 4.05Å; L91-F96 HydrophobicContact CD1-CZ 4.18Å; L91-F96 VanDerWaalsContact O-CD2 3.32Å; L91-F96 WeakPolarHBondContact O-CD2 3.17Å; H93-F96 HydrophobicContact CB-CD2 3.54Å; H93-F96 HydrophobicContact CB-CE2 3.84Å; H93-F96 PolarHBondContact O-N 3.15Å; F96-A148 HydrophobicContact CE1-CB 4.21Å; F96-Y151 AromaticContact CE2-CD1 3.71Å; F96-Y151 HydrophobicContact CE2-CD1 3.71Å; F96-Y151 AromaticContact CE2-CE1 3.81Å; F96-Y151 HydrophobicContact CE2-CE1 3.81Å; F96-Y151 HydrophobicContact CZ-CD1 4.29Å; F96-L152 HydrophobicContact CZ-CD1 4.24Å; F96-K177 WeakPolarHBondContact O-CD 3.34Å; F96-L178 WeakPolarHBondContact CA-O 3.14Å; F96-L178 HydrophobicContact CD1-CB 4.01Å; F96-L178 WeakPolarHBondContact CD1-O 3.49Å; F96-L178 HydrophobicContact CE1-CB 4.11Å; F96-L178 HydrophobicContact CE1-CD2 4.11Å; F96-L178 HydrophobicContact CE1-CG 4.28Å; F96-L181 HydrophobicContact CD1-CD2 4.35Å; F96-L181 HydrophobicContact CE1-CD2 4.09Å
97	V	92.6	Very high	90.2	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.055	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67.1	133.7	178	173.3	0	0	0	0	110.9	L88 T114 E115 I117 L169 K177	L88-V97 HydrophobicContact CD1-CB 4.41Å; L88-V97 VanDerWaalsContact CD1-O 3.26Å; L88-V97 WeakPolarHBondContact CD1-O 3.43Å; L88-V97 HydrophobicContact CD2-CB 4.4Å; L88-V97 WeakPolarHBondContact CG-O 3.23Å; V97-T114 HydrophobicContact CG1-CG2 3.48Å; V97-T114 VanDerWaalsContact CG1-CG2 3.48Å; V97-E115 WeakPolarHBondContact CA-OE1 3.23Å; V97-I117 HydrophobicContact CB-CD1 4.48Å; V97-I117 HydrophobicContact CG1-CD1 3.7Å; V97-I117 HydrophobicContact CG2-CD1 3.89Å; V97-L169 HydrophobicContact CG2-CB 4.07Å; V97-L169 HydrophobicContact CG2-CD1 3.76Å; V97-K177 HydrophobicContact CG2-CB 3.75Å; V97-K177 HydrophobicContact CG2-CD 4.28Å
98	Q	90.5	Very high	89.8	Confident	130 Å²	130	64.7 Å²	64.7	61%	0.607	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-89.5	119.3	179	-177.9	169.4	-22.6	0	0	110.7	T114 E115	Q98-T114 VanDerWaalsContact O-CA 3.27Å; Q98-T114 WeakPolarHBondContact O-CA 3.43Å; Q98-T114 WeakPolarHBondContact O-CB 3.46Å; Q98-E115 PolarHBondContact N-OE1 2.9Å; Q98-E115 PolarHBondContact O-N 2.9Å; Q98-E115 VanDerWaalsContact O-N 3.09Å
99	L	91.2	Very high	89.7	Confident	27 Å²	27	66 Å²	66	14%	0.141	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.8	166.3	-68.4	166	0	0	0	110.2	L85 L88 N89 F112 T114	L85-L99 HydrophobicContact CD2-CD2 4.21Å; L88-L99 HydrophobicContact CB-CD1 4.16Å; L88-L99 HydrophobicContact CD2-CD1 4.09Å; L88-L99 HydrophobicContact CD2-CD2 4.1Å; L88-L99 HydrophobicContact CD2-CG 3.83Å; L88-L99 HydrophobicContact CG-CD1 4.21Å; L88-L99 HydrophobicContact CG-CG 4.27Å; N89-L99 VanDerWaalsContact ND2-CD1 3.35Å; N89-L99 WeakPolarHBondContact ND2-CD1 3.44Å; L99-F112 HydrophobicContact CD2-CB 4.25Å; L99-F112 HydrophobicContact CD2-CD2 3.41Å; L99-F112 VanDerWaalsContact CD2-CD2 3.41Å; L99-F112 HydrophobicContact CD2-CE2 4.07Å; L99-F112 HydrophobicContact CD2-CG 4.16Å; L99-T114 HydrophobicContact CD2-CG2 4.23Å
100	I	90.2	Very high	89.8	Confident	76 Å²	76	63.4 Å²	63.4	39%	0.39	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-47.3	167.7	-59	-180	0	0	0	108.6	I113 T114	I100-I113 HydrophobicContact CB-CG2 4.34Å; I100-I113 PolarHBondContact N-O 2.82Å; I100-T114 WeakPolarHBondContact CD1-O 3.22Å
101	H	87.9	Confident	89.8	Confident	60 Å²	60	57.2 Å²	57.2	28%	0.278	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.6	171.3	-54.5	-77.9	0	0	0	109.8	I22 I113	I22-H101 HydrophobicContact CD1-CB 3.96Å; I22-H101 HydrophobicContact CG1-CB 4.31Å; I22-H101 HydrophobicContact CG2-CB 3.73Å; H101-I113 HydrophobicContact CB-CB 4.18Å; H101-I113 PolarHBondContact N-O 3.03Å; H101-I113 PolarHBondContact O-N 3.18Å
102	D	85.7	Confident	89.8	Confident	81 Å²	81	57 Å²	57	43%	0.433	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-177.6	-178.8	-154.4	-6	0	0	0	111.8	I22 N89 E104	I22-D102 VanDerWaalsContact CD1-O 3.24Å; I22-D102 WeakPolarHBondContact CD1-O 3.07Å; N89-D102 VanDerWaalsContact ND2-CG 3.34Å; N89-D102 PolarHBondContact ND2-OD1 3.09Å; N89-D102 PolarHBondContact ND2-OD2 2.94Å; D102-E104 PolarHBondContact O-N 3.41Å
103	I	87	Confident	90.2	Very high	53 Å²	53	48.8 Å²	48.8	27%	0.272	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	123.3	178.5	-168.1	-177.8	0	0	0	112.5	R82 L85 L110 T111	R82-I103 HydrophobicContact CG-CD1 4.15Å; L85-I103 HydrophobicContact CD1-CB 3.96Å; L85-I103 HydrophobicContact CD1-CD1 3.89Å; L85-I103 HydrophobicContact CD1-CG1 3.99Å; I103-L110 HydrophobicContact CD1-CB 4.5Å; I103-L110 HydrophobicContact CD1-CD1 4.47Å; I103-L110 HydrophobicContact CD1-CD2 4.21Å; I103-T111 CarbonylContact C-O 3.59Å; I103-T111 WeakPolarHBondContact CA-O 3.47Å
104	E	87.3	Confident	90.3	Very high	33 Å²	33	47.2 Å²	47.2	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.9	158.3	-176.6	169.7	162.2	0	0	109.7	N20 H21 I22 D102 T106 T111	N20-E104 VanDerWaalsContact CA-OE1 3.27Å; N20-E104 WeakPolarHBondContact CA-OE1 3.34Å; N20-E104 VanDerWaalsContact CG-CD 3.49Å; N20-E104 WeakPolarHBondContact ND2-CG 3.27Å; N20-E104 PolarHBondContact OD1-OE2 2.88Å; H21-E104 IonicContact CD2-OE1 2.76Å; H21-E104 VanDerWaalsContact N-CD 3.29Å; H21-E104 PolarHBondContact N-OE1 3.45Å; H21-E104 PolarHBondContact N-OE2 2.95Å; I22-E104 HydrophobicContact CD1-CB 3.66Å; I22-E104 HydrophobicContact CG1-CB 4.31Å; I22-E104 WeakPolarHBondContact CG1-OE2 3.47Å; I22-E104 PolarHBondContact N-OE2 3.02Å; D102-E104 PolarHBondContact O-N 3.41Å; E104-T106 HydrophobicContact CG-CG2 4.42Å; E104-T111 PolarHBondContact N-O 3.21Å; E104-T111 PolarHBondContact O-N 3.31Å
105	E	88.5	Confident	90.4	Very high	82 Å²	82	44.8 Å²	44.8	38%	0.383	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.4	179	170.4	154.6	-161.9	0	0	109.9	K62 R82 L110	K62-E105 WeakPolarHBondContact CE-OE1 3.35Å; K62-E105 IonicContact NZ-OE1 3.08Å; K62-E105 PolarHBondContact NZ-OE1 3.44Å; R82-E105 IonicContact CZ-OE1 3.2Å; R82-E105 IonicContact CZ-OE2 2.82Å; R82-E105 VanDerWaalsContact CZ-OE2 3.28Å; R82-E105 IonicContact NE-OE1 3.42Å; R82-E105 IonicContact NE-OE2 2.76Å; R82-E105 PolarHBondContact NE-OE2 2.8Å; R82-E105 VanDerWaalsContact NH2-CD 3.27Å; R82-E105 IonicContact NH2-OE1 3.78Å; R82-E105 PolarHBondContact NH2-OE1 3.33Å; R82-E105 IonicContact NH2-OE2 3.4Å; R82-E105 PolarHBondContact NH2-OE2 3.21Å; E105-L110 HydrophobicContact CB-CD2 3.64Å; E105-L110 HydrophobicContact CG-CD2 3.47Å; E105-L110 VanDerWaalsContact CG-CD2 3.47Å
106	T	87.7	Confident	90.3	Very high	27 Å²	27	45.9 Å²	45.9	17%	0.166	23%	0.231	C	C	.	.			trans	-99.5	175.1	172	75.8	0	0	0	0	109.8	C19 N20 K62 E104 E108 Y109	C19-T106 WeakPolarHBondContact O-CG2 3.49Å; N20-T106 HydrophobicContact CB-CG2 4.41Å; K62-T106 WeakPolarHBondContact CE-O 3.42Å; K62-T106 PolarHBondContact NZ-O 3.19Å; E104-T106 HydrophobicContact CG-CG2 4.42Å; T106-E108 PolarHBondContact O-N 2.97Å; T106-E108 PolarHBondContact OG1-N 3.23Å; T106-Y109 PolarHBondContact N-O 3.38Å; T106-Y109 PolarHBondContact OG1-N 3.3Å; T106-Y109 PolarHBondContact OG1-O 3.41Å
107	N	85.8	Confident	90.3	Very high	162 Å²	162	46 Å²	46	87%	0.866	23%	0.232	S	C	*	.	S	Bend	trans	-61.4	-28.2	175.3	-75.3	-26.7	0	0	0	113	K62	K62-N107 WeakPolarHBondContact CD-O 3.35Å
108	E	86.6	Confident	90.3	Very high	90 Å²	90	48.8 Å²	48.8	42%	0.421	25%	0.246	S	C	.	.	S	Bend	trans	-104.7	-31.8	-174.6	-55.1	-153.5	132.8	0	0	113.9	K62 K63 T106	K62-E108 VanDerWaalsContact CB-O 3.24Å; K62-E108 WeakPolarHBondContact CB-O 3.47Å; K62-E108 WeakPolarHBondContact CG-O 3.48Å; K62-E108 PolarHBondContact N-O 3.05Å; K63-E108 VanDerWaalsContact CE-CD 3.49Å; K63-E108 WeakPolarHBondContact CE-OE1 3.27Å; K63-E108 IonicContact NZ-OE1 2.84Å; K63-E108 PolarHBondContact NZ-OE1 2.82Å; K63-E108 IonicContact NZ-OE2 2.78Å; K63-E108 PolarHBondContact NZ-OE2 2.73Å; T106-E108 PolarHBondContact O-N 2.97Å; T106-E108 PolarHBondContact OG1-N 3.23Å
109	Y	89.2	Confident	90.4	Very high	39 Å²	39	42.6 Å²	42.6	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.6	-171.4	-62.2	-82.3	0	0	0	112.4	L16 F60 D61 T106	L16-Y109 HydrophobicContact CD2-CD1 4.12Å; L16-Y109 HydrophobicContact CD2-CD2 3.95Å; L16-Y109 HydrophobicContact CD2-CE2 4.4Å; L16-Y109 HydrophobicContact CD2-CG 3.83Å; F60-Y109 WeakPolarHBondContact O-CA 3.47Å; D61-Y109 HydrophobicContact CB-CD1 4.06Å; D61-Y109 HydrophobicContact CB-CE1 3.68Å; T106-Y109 PolarHBondContact N-O 3.38Å; T106-Y109 PolarHBondContact OG1-N 3.3Å; T106-Y109 PolarHBondContact OG1-O 3.41Å
110	L	91.4	Very high	90.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142	150	-55.1	-179.4	0	0	0	107.8	W41 F60 L78 L81 I103 E105	W41-L110 HydrophobicContact CH2-CB 3.72Å; W41-L110 HydrophobicContact CH2-CD1 4.28Å; W41-L110 HydrophobicContact CZ3-CB 3.98Å; F60-L110 HydrophobicContact CB-CB 4.35Å; F60-L110 HydrophobicContact CD1-CB 4.16Å; F60-L110 HydrophobicContact CD1-CD1 3.84Å; F60-L110 HydrophobicContact CD1-CG 3.89Å; F60-L110 HydrophobicContact CE1-CD1 4.35Å; F60-L110 PolarHBondContact N-O 3.19Å; F60-L110 PolarHBondContact O-N 2.85Å; L78-L110 HydrophobicContact CD2-CD1 4.15Å; L81-L110 HydrophobicContact CB-CD1 4.38Å; I103-L110 HydrophobicContact CD1-CB 4.5Å; I103-L110 HydrophobicContact CD1-CD1 4.47Å; I103-L110 HydrophobicContact CD1-CD2 4.21Å; E105-L110 HydrophobicContact CB-CD2 3.64Å; E105-L110 HydrophobicContact CG-CD2 3.47Å; E105-L110 VanDerWaalsContact CG-CD2 3.47Å
111	T	92.3	Very high	90.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	144	178.2	-65.8	0	0	0	0	111.2	L23 V57 F58 T59 I103 E104	L23-T111 HydrophobicContact CD1-CG2 3.87Å; L23-T111 HydrophobicContact CD2-CG2 4.33Å; L23-T111 HydrophobicContact CG-CG2 4.17Å; V57-T111 HydrophobicContact CG1-CG2 3.9Å; F58-T111 VanDerWaalsContact O-CA 3.26Å; F58-T111 WeakPolarHBondContact O-CA 3.25Å; T59-T111 HydrophobicContact CG2-CG2 4.4Å; I103-T111 CarbonylContact C-O 3.59Å; I103-T111 WeakPolarHBondContact CA-O 3.47Å; E104-T111 PolarHBondContact N-O 3.21Å; E104-T111 PolarHBondContact O-N 3.31Å
112	F	93	Very high	90.9	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	167.3	169.3	65.6	-87.1	0	0	0	110.1	W41 F58 L85 L99 T114	W41-F112 AromaticContact CD2-CE1 3.88Å; W41-F112 HydrophobicContact CD2-CE1 3.88Å; W41-F112 AromaticContact CE2-CE1 3.85Å; W41-F112 HydrophobicContact CE3-CD1 4.27Å; W41-F112 AromaticContact CE3-CE1 3.71Å; W41-F112 HydrophobicContact CE3-CE1 3.71Å; W41-F112 AromaticContact CH2-CD1 3.71Å; W41-F112 HydrophobicContact CH2-CD1 3.71Å; W41-F112 AromaticContact CH2-CE1 3.58Å; W41-F112 HydrophobicContact CH2-CE1 3.58Å; W41-F112 HydrophobicContact CZ2-CD1 4.26Å; W41-F112 AromaticContact CZ2-CE1 3.73Å; W41-F112 HydrophobicContact CZ2-CE1 3.73Å; W41-F112 AromaticContact CZ3-CD1 3.71Å; W41-F112 HydrophobicContact CZ3-CD1 3.71Å; W41-F112 AromaticContact CZ3-CE1 3.57Å; W41-F112 HydrophobicContact CZ3-CE1 3.57Å; F58-F112 HydrophobicContact CB-CD1 3.69Å; F58-F112 HydrophobicContact CB-CD2 3.97Å; F58-F112 HydrophobicContact CB-CE1 3.29Å; F58-F112 HydrophobicContact CB-CE2 3.62Å; F58-F112 HydrophobicContact CB-CG 4.03Å; F58-F112 HydrophobicContact CB-CZ 3.28Å; F58-F112 AromaticContact CD1-CE1 3.97Å; F58-F112 HydrophobicContact CD1-CE1 3.97Å; F58-F112 AromaticContact CD1-CE2 3.8Å; F58-F112 HydrophobicContact CD1-CE2 3.8Å; F58-F112 AromaticContact CD1-CZ 3.24Å; F58-F112 HydrophobicContact CD1-CZ 3.24Å; F58-F112 HydrophobicContact CD2-CD2 4.33Å; F58-F112 AromaticContact CD2-CE2 3.72Å; F58-F112 HydrophobicContact CD2-CE2 3.72Å; F58-F112 HydrophobicContact CD2-CZ 4.02Å; F58-F112 HydrophobicContact CE1-CE2 4.34Å; F58-F112 AromaticContact CE1-CZ 3.99Å; F58-F112 HydrophobicContact CE1-CZ 3.99Å; F58-F112 HydrophobicContact CE2-CE2 4.31Å; F58-F112 HydrophobicContact CG-CD2 4.19Å; F58-F112 AromaticContact CG-CE1 3.84Å; F58-F112 HydrophobicContact CG-CE1 3.84Å; F58-F112 AromaticContact CG-CE2 3.45Å; F58-F112 HydrophobicContact CG-CE2 3.45Å; F58-F112 VanDerWaalsContact CG-CE2 3.45Å; F58-F112 AromaticContact CG-CZ 3.25Å; F58-F112 HydrophobicContact CG-CZ 3.25Å; F58-F112 PolarHBondContact N-O 2.62Å; F58-F112 PolarHBondContact O-N 3.14Å; F58-F112 VanDerWaalsContact O-N 3.1Å; L85-F112 HydrophobicContact CD1-CB 4.42Å; L85-F112 HydrophobicContact CD1-CD1 3.42Å; L85-F112 VanDerWaalsContact CD1-CD1 3.42Å; L85-F112 HydrophobicContact CD1-CE1 3.76Å; L85-F112 HydrophobicContact CD1-CG 4.03Å; L85-F112 HydrophobicContact CD2-CD1 3.64Å; L85-F112 HydrophobicContact CD2-CD2 3.76Å; L85-F112 HydrophobicContact CD2-CE1 3.57Å; L85-F112 HydrophobicContact CD2-CE2 3.69Å; L85-F112 HydrophobicContact CD2-CG 3.71Å; L85-F112 HydrophobicContact CD2-CZ 3.58Å; L85-F112 HydrophobicContact CG-CD1 4.17Å; L85-F112 HydrophobicContact CG-CE1 4.2Å; L99-F112 HydrophobicContact CD2-CB 4.25Å; L99-F112 HydrophobicContact CD2-CD2 3.41Å; L99-F112 VanDerWaalsContact CD2-CD2 3.41Å; L99-F112 HydrophobicContact CD2-CE2 4.07Å; L99-F112 HydrophobicContact CD2-CG 4.16Å; F112-T114 HydrophobicContact CD2-CG2 3.81Å; F112-T114 HydrophobicContact CE2-CG2 3.57Å
113	I	93	Very high	91	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.5	-177.1	-58.3	-170.6	0	0	0	111.3	I22 L23 V26 T56 V57 I100 H101	I22-I113 HydrophobicContact CG2-CD1 3.45Å; I22-I113 VanDerWaalsContact CG2-CD1 3.45Å; I22-I113 HydrophobicContact CG2-CG1 3.87Å; L23-I113 HydrophobicContact CD2-CD1 3.96Å; V26-I113 HydrophobicContact CB-CD1 4.28Å; V26-I113 HydrophobicContact CG1-CD1 4.2Å; V26-I113 HydrophobicContact CG2-CD1 3.73Å; T56-I113 WeakPolarHBondContact O-CA 3.42Å; V57-I113 HydrophobicContact CG1-CG1 4.49Å; V57-I113 HydrophobicContact CG2-CD1 4.02Å; V57-I113 HydrophobicContact CG2-CG1 4.19Å; I100-I113 HydrophobicContact CB-CG2 4.34Å; I100-I113 PolarHBondContact N-O 2.82Å; H101-I113 HydrophobicContact CB-CB 4.18Å; H101-I113 PolarHBondContact N-O 3.03Å; H101-I113 PolarHBondContact O-N 3.18Å
114	T	94	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	174.6	-179.9	66.9	0	0	0	0	112.2	S55 T56 F58 V97 Q98 L99 I100 F112	S55-T114 WeakPolarHBondContact CA-O 3.39Å; S55-T114 VanDerWaalsContact CB-O 3.27Å; S55-T114 WeakPolarHBondContact CB-O 3.49Å; T56-T114 PolarHBondContact N-O 3.1Å; T56-T114 PolarHBondContact O-N 2.95Å; F58-T114 HydrophobicContact CD2-CG2 3.96Å; F58-T114 HydrophobicContact CE2-CG2 3.74Å; F58-T114 VanDerWaalsContact CE2-OG1 3.3Å; F58-T114 WeakPolarHBondContact CE2-OG1 3.34Å; F58-T114 HydrophobicContact CZ-CG2 4.44Å; V97-T114 HydrophobicContact CG1-CG2 3.48Å; V97-T114 VanDerWaalsContact CG1-CG2 3.48Å; Q98-T114 VanDerWaalsContact O-CA 3.27Å; Q98-T114 WeakPolarHBondContact O-CA 3.43Å; Q98-T114 WeakPolarHBondContact O-CB 3.46Å; L99-T114 HydrophobicContact CD2-CG2 4.23Å; I100-T114 WeakPolarHBondContact CD1-O 3.22Å; F112-T114 HydrophobicContact CD2-CG2 3.81Å; F112-T114 HydrophobicContact CE2-CG2 3.57Å
115	E	93.1	Very high	90.7	Very high	31 Å²	31	30.8 Å²	30.8	15%	0.145	16%	0.156	C	C	.	.	S	Bend	trans	-47.3	159.2	155.6	72.6	-165.7	124.7	0	0	112.7	V97 Q98 I117 V171 K177	V97-E115 WeakPolarHBondContact CA-OE1 3.23Å; Q98-E115 PolarHBondContact N-OE1 2.9Å; Q98-E115 PolarHBondContact O-N 2.9Å; Q98-E115 VanDerWaalsContact O-N 3.09Å; E115-I117 HydrophobicContact CG-CG1 4.5Å; E115-I117 PolarHBondContact O-N 3.39Å; E115-V171 HydrophobicContact CG-CG2 4.07Å; E115-K177 VanDerWaalsContact OE1-CD 3.26Å; E115-K177 WeakPolarHBondContact OE1-CD 3.49Å; E115-K177 WeakPolarHBondContact OE1-CE 3.27Å; E115-K177 IonicContact OE1-NZ 2.6Å; E115-K177 PolarHBondContact OE1-NZ 2.89Å; E115-K177 WeakPolarHBondContact OE2-CE 3.38Å; E115-K177 IonicContact OE2-NZ 3.73Å; E115-K177 PolarHBondContact OE2-NZ 3.01Å
116	P	94.3	Very high	90.1	Very high	54 Å²	54	29.6 Å²	29.6	35%	0.351	15%	0.152	S	C	.	.			trans	-55.6	129.9	177.7	-25.1	33.7	0	0	0	113	K54 V171	K54-P116 HydrophobicContact CB-CG 3.8Å; K54-P116 WeakPolarHBondContact O-CD 3.41Å; K54-P116 VanDerWaalsContact O-CG 3.29Å; K54-P116 WeakPolarHBondContact O-CG 3.34Å; P116-V171 WeakPolarHBondContact O-CA 3.49Å; P116-V171 WeakPolarHBondContact O-CG1 3.36Å
117	I	94.8	Very high	89	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.165	C	C	.	.			trans	-134.4	130.8	178.3	-74.4	172.2	0	0	0	109	L43 T56 F58 V97 E115 L169 L170 V171	L43-I117 HydrophobicContact CD2-CG2 3.76Å; T56-I117 HydrophobicContact CG2-CB 4.29Å; T56-I117 PolarHBondContact OG1-N 3.35Å; T56-I117 PolarHBondContact OG1-O 3.09Å; F58-I117 HydrophobicContact CE2-CD1 4.05Å; F58-I117 HydrophobicContact CZ-CD1 3.87Å; V97-I117 HydrophobicContact CB-CD1 4.48Å; V97-I117 HydrophobicContact CG1-CD1 3.7Å; V97-I117 HydrophobicContact CG2-CD1 3.89Å; E115-I117 HydrophobicContact CG-CG1 4.5Å; E115-I117 PolarHBondContact O-N 3.39Å; I117-L169 HydrophobicContact CD1-CB 4.18Å; I117-L169 HydrophobicContact CD1-CD1 4.19Å; I117-L169 HydrophobicContact CG2-CB 4.36Å; I117-L169 HydrophobicContact CG2-CD2 4.13Å; I117-L170 CarbonylContact C-O 3.54Å; I117-L170 VanDerWaalsContact CA-O 3.28Å; I117-L170 WeakPolarHBondContact CA-O 3.33Å; I117-V171 HydrophobicContact CG1-CG2 4.33Å
118	I	92.4	Very high	87.6	Confident	69 Å²	69	31.2 Å²	31.2	35%	0.354	16%	0.16	S	C	.	.			trans	-87.8	-6.4	-179.7	63.1	165	0	0	0	113.7	M124 L170 K173	I118-M124 HydrophobicContact CD1-CE 4.43Å; I118-M124 HydrophobicContact CD1-SD 4.26Å; I118-L170 HydrophobicContact CD1-CB 4.17Å; I118-L170 HydrophobicContact CG1-CB 3.7Å; I118-L170 WeakPolarHBondContact CG1-O 3.38Å; I118-L170 PolarHBondContact N-O 3.01Å; I118-K173 HydrophobicContact CD1-CG 4.5Å
119	G	92.7	Very high	86	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142	-176.1	178.3	0	0	0	0	0	112.9	L170	G119-L170 PolarHBondContact O-N 3.12Å
120	S	94.1	Very high	84.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	161.1	165.9	68.2	0	0	0	0	111.5	R34 A122 D123 M124 I168	R34-S120 WeakPolarHBondContact O-CB 3.47Å; R34-S120 PolarHBondContact O-OG 3.06Å; S120-A122 PolarHBondContact O-N 3.31Å; S120-A122 PolarHBondContact OG-N 3.24Å; S120-D123 PolarHBondContact N-OD2 3.15Å; S120-D123 PolarHBondContact O-N 3.1Å; S120-D123 VanDerWaalsContact O-N 3.12Å; S120-D123 PolarHBondContact OG-N 2.93Å; S120-D123 VanDerWaalsContact OG-N 3.15Å; S120-D123 PolarHBondContact OG-OD2 3.43Å; S120-M124 PolarHBondContact O-N 3.33Å; S120-I168 CarbonylContact C-O 3.59Å; S120-I168 WeakPolarHBondContact CA-O 3.48Å
121	L	93	Very high	82.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-29.7	170.7	178.3	64.7	0	0	0	111.5	Y125 F133 T165 I168 W176 V237 I241	L121-Y125 HydrophobicContact CD1-CE2 4.07Å; L121-Y125 HydrophobicContact CG-CE2 4.39Å; L121-Y125 VanDerWaalsContact O-CD2 3.23Å; L121-Y125 WeakPolarHBondContact O-CD2 3.5Å; L121-F133 HydrophobicContact CD1-CE2 3.84Å; L121-F133 HydrophobicContact CD1-CZ 3.88Å; L121-T165 CarbonylContact C-O 3.46Å; L121-T165 WeakPolarHBondContact CB-O 3.27Å; L121-T165 HydrophobicContact CD2-CG2 4.24Å; L121-T165 HydrophobicContact CG-CG2 4.47Å; L121-T165 PolarHBondContact N-O 3.07Å; L121-I168 HydrophobicContact CB-CB 4.11Å; L121-I168 HydrophobicContact CB-CG2 4.08Å; L121-I168 HydrophobicContact CD2-CB 4.41Å; L121-I168 HydrophobicContact CD2-CD1 4.15Å; L121-I168 HydrophobicContact CD2-CG2 4.34Å; L121-I168 PolarHBondContact N-O 2.92Å; L121-W176 HydrophobicContact CD1-CH2 3.86Å; L121-W176 HydrophobicContact CD1-CZ2 4.15Å; L121-W176 HydrophobicContact CD1-CZ3 4.3Å; L121-W176 HydrophobicContact CD2-CE3 4.45Å; L121-W176 HydrophobicContact CD2-CH2 4.06Å; L121-W176 HydrophobicContact CD2-CZ3 3.76Å; L121-V237 HydrophobicContact CD2-CG1 4.06Å; L121-I241 HydrophobicContact CD2-CD1 4.04Å; L121-I241 HydrophobicContact CD2-CG1 4.02Å
122	A	92	Very high	81.7	Confident	9 Å²	9	44 Å²	44	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-67.9	-41	173.2	0	0	0	0	0	113.3	F39 S120 M124 Y125 I126 T165 A166	F39-A122 HydrophobicContact CE1-CB 3.93Å; F39-A122 HydrophobicContact CZ-CB 3.72Å; S120-A122 PolarHBondContact O-N 3.31Å; S120-A122 PolarHBondContact OG-N 3.24Å; A122-M124 PolarHBondContact O-N 3.03Å; A122-Y125 PolarHBondContact O-N 3.16Å; A122-I126 WeakPolarHBondContact O-CG1 3.23Å; A122-I126 PolarHBondContact O-N 3.24Å; A122-T165 PolarHBondContact N-O 3.5Å; A122-A166 HydrophobicContact CB-CB 4.41Å
123	D	89	Confident	81.4	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-29.4	-179.6	-64.9	-66.1	0	0	0	112.7	G33 R34 S120 Y125 I126 N127	G33-D123 WeakPolarHBondContact CA-OD2 3.25Å; R34-D123 IonicContact CZ-OD1 3.03Å; R34-D123 PolarHBondContact N-OD1 3.13Å; R34-D123 PolarHBondContact N-OD2 3.06Å; R34-D123 IonicContact NE-OD1 3.22Å; R34-D123 PolarHBondContact NE-OD1 3.16Å; R34-D123 VanDerWaalsContact NE-OD1 3.13Å; R34-D123 IonicContact NH2-OD1 3.76Å; R34-D123 PolarHBondContact NH2-OD1 3.03Å; S120-D123 PolarHBondContact N-OD2 3.15Å; S120-D123 PolarHBondContact O-N 3.1Å; S120-D123 VanDerWaalsContact O-N 3.12Å; S120-D123 PolarHBondContact OG-N 2.93Å; S120-D123 VanDerWaalsContact OG-N 3.15Å; S120-D123 PolarHBondContact OG-OD2 3.43Å; D123-Y125 PolarHBondContact O-N 3.37Å; D123-I126 PolarHBondContact O-N 2.82Å; D123-I126 VanDerWaalsContact O-N 3.08Å; D123-N127 PolarHBondContact O-N 3.39Å; D123-N127 PolarHBondContact O-ND2 2.82Å
124	M	85.3	Confident	81.2	Confident	25 Å²	25	45.9 Å²	45.9	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-33.2	175.5	-63.9	-68.4	97.3	0	0	113.1	I118 S120 A122 S131 F133 L170	I118-M124 HydrophobicContact CD1-CE 4.43Å; I118-M124 HydrophobicContact CD1-SD 4.26Å; S120-M124 PolarHBondContact O-N 3.33Å; A122-M124 PolarHBondContact O-N 3.03Å; M124-S131 WeakPolarHBondContact O-CB 3.26Å; M124-F133 HydrophobicContact CB-CE2 4.43Å; M124-F133 HydrophobicContact CG-CE2 4.43Å; M124-F133 HydrophobicContact CG-CZ 4.19Å; M124-L170 HydrophobicContact CG-CD1 3.41Å; M124-L170 VanDerWaalsContact CG-CD1 3.41Å; M124-L170 HydrophobicContact SD-CD1 3.94Å
125	Y	81.8	Confident	81	Confident	46 Å²	46	50.5 Å²	50.5	18%	0.18	27%	0.271	C	S	.	.	H	α-helix	trans	-88.4	-15.2	176.3	-63.7	-78.2	0	0	0	113.2	L121 A122 D123 I241 Q244	L121-Y125 HydrophobicContact CD1-CE2 4.07Å; L121-Y125 HydrophobicContact CG-CE2 4.39Å; L121-Y125 VanDerWaalsContact O-CD2 3.23Å; L121-Y125 WeakPolarHBondContact O-CD2 3.5Å; A122-Y125 PolarHBondContact O-N 3.16Å; D123-Y125 PolarHBondContact O-N 3.37Å; Y125-I241 WeakPolarHBondContact OH-CA 3.49Å; Y125-I241 PolarHBondContact OH-O 3.24Å; Y125-I241 VanDerWaalsContact OH-O 3.1Å; Y125-Q244 VanDerWaalsContact CD1-C 3.44Å
126	I	76.2	Confident	80.9	Confident	57 Å²	57	49.9 Å²	49.9	29%	0.292	27%	0.268	S	S	.	.	H	α-helix	trans	-86.1	-36	179.5	-67.5	167.1	0	0	0	111.8	L4 R34 A122 D123	L4-I126 HydrophobicContact CD2-CD1 4.15Å; L4-I126 HydrophobicContact CD2-CG1 3.64Å; R34-I126 VanDerWaalsContact NH2-CD1 3.26Å; A122-I126 WeakPolarHBondContact O-CG1 3.23Å; A122-I126 PolarHBondContact O-N 3.24Å; D123-I126 PolarHBondContact O-N 2.82Å; D123-I126 VanDerWaalsContact O-N 3.08Å
127	N	64.1	Low	80.7	Confident	84 Å²	84	47.3 Å²	47.3	45%	0.449	25%	0.252	S	S	.	.	S	Bend	trans	-88.9	-6.2	-170.3	-67.8	-23.8	0	0	0	114.3	D123 Q129	D123-N127 PolarHBondContact O-N 3.39Å; D123-N127 PolarHBondContact O-ND2 2.82Å; N127-Q129 WeakPolarHBondContact O-CG 3.27Å; N127-Q129 PolarHBondContact O-N 3.31Å
128	D	57.1	Low	80.6	Confident	140 Å²	140	47.8 Å²	47.8	75%	0.749	25%	0.254	S	S	*	.			trans	56.7	15.6	176.3	-140.6	15.1	0	0	0	115.5
129	Q	52.9	Low	80.8	Confident	160 Å²	160	45 Å²	45	75%	0.748	24%	0.24	S	C	*	.	S	Bend	trans	-97	110.8	-178.2	-62.5	-152	-3.9	0	0	111.8	N127 S131	N127-Q129 WeakPolarHBondContact O-CG 3.27Å; N127-Q129 PolarHBondContact O-N 3.31Å; Q129-S131 PolarHBondContact O-N 3.43Å
130	D	54.1	Low	80.8	Confident	110 Å²	110	45 Å²	45	59%	0.588	24%	0.24	S	C	*	.	S	Bend	trans	50.4	36	171.4	-122.1	43.6	0	0	0	112.2	S132 K173 K350	D130-S132 PolarHBondContact O-N 3.46Å; D130-K173 PolarHBondContact O-NZ 3.14Å; D130-K350 IonicContact OD2-NZ 2.91Å
131	S	56.8	Low	80.9	Confident	43 Å²	43	45 Å²	45	30%	0.301	24%	0.24	S	C	.	.			trans	-67.6	-1.3	-163.5	55.4	0	0	0	0	115.6	M124 Q129 F133	M124-S131 WeakPolarHBondContact O-CB 3.26Å; Q129-S131 PolarHBondContact O-N 3.43Å; S131-F133 PolarHBondContact O-N 2.86Å
132	S	72.9	Confident	81.1	Confident	85 Å²	85	45.1 Å²	45.1	59%	0.594	24%	0.241	S	C	*	.			trans	-73.4	111.3	169.8	48.3	0	0	0	0	111.8	D130 K173	D130-S132 PolarHBondContact O-N 3.46Å; S132-K173 PolarHBondContact O-NZ 2.7Å
133	F	85.9	Confident	81.3	Confident	18 Å²	18	45.1 Å²	45.1	8%	0.079	24%	0.239	C	C	.	.			trans	-77.2	146.6	150.8	-64.3	-92.3	0	0	0	108.6	L121 M124 S131 E137 I138 L170 K173 W176	L121-F133 HydrophobicContact CD1-CE2 3.84Å; L121-F133 HydrophobicContact CD1-CZ 3.88Å; M124-F133 HydrophobicContact CB-CE2 4.43Å; M124-F133 HydrophobicContact CG-CE2 4.43Å; M124-F133 HydrophobicContact CG-CZ 4.19Å; S131-F133 PolarHBondContact O-N 2.86Å; F133-E137 HydrophobicContact CB-CB 4.19Å; F133-E137 HydrophobicContact CD1-CB 4.11Å; F133-I138 HydrophobicContact CB-CD1 4.17Å; F133-I138 HydrophobicContact CB-CG1 3.68Å; F133-I138 HydrophobicContact CG-CG1 4.48Å; F133-L170 HydrophobicContact CE1-CD1 4.44Å; F133-L170 HydrophobicContact CZ-CD1 3.87Å; F133-K173 HydrophobicContact CD1-CB 4.07Å; F133-K173 HydrophobicContact CD1-CD 4.47Å; F133-K173 HydrophobicContact CD1-CG 4.31Å; F133-K173 HydrophobicContact CE1-CB 3.91Å; F133-K173 HydrophobicContact CE1-CG 4Å; F133-K173 WeakPolarHBondContact CE1-O 3.28Å; F133-W176 HydrophobicContact CD1-CZ2 4.01Å; F133-W176 AromaticContact CE1-CE2 4Å; F133-W176 AromaticContact CE1-CZ2 3.76Å; F133-W176 HydrophobicContact CE1-CZ2 3.76Å; F133-W176 AromaticContact CE1-NE1 3.74Å; F133-W176 HydrophobicContact CG-CZ2 4.47Å; F133-W176 HydrophobicContact CZ-CZ2 4.03Å
134	C	88.2	Confident	81.7	Confident	26 Å²	26	45.2 Å²	45.2	18%	0.176	24%	0.239	C	C	.	.			trans	-79.4	164.4	167	76.3	0	0	0	0	111.4	L136 E137 I138 V347	C134-L136 PolarHBondContact O-N 3.45Å; C134-E137 PolarHBondContact N-OE2 2.86Å; C134-E137 PolarHBondContact O-N 2.89Å; C134-E137 PolarHBondContact SG-N 3.41Å; C134-E137 PolarHBondContact SG-OE2 3.35Å; C134-I138 PolarHBondContact O-N 2.87Å; C134-V347 HydrophobicContact CB-CG2 4.2Å
135	E	89.6	Confident	82.3	Confident	97 Å²	97	44 Å²	44	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-56	-37.2	179.6	175.1	165.8	172.7	0	0	112.4	I138 I139 P277	E135-I138 PolarHBondContact O-N 3.07Å; E135-I139 HydrophobicContact CG-CD1 3.52Å; E135-I139 HydrophobicContact CG-CG1 4.3Å; E135-I139 WeakPolarHBondContact O-CB 3.5Å; E135-I139 WeakPolarHBondContact O-CD1 3.33Å; E135-I139 VanDerWaalsContact O-CG1 3.24Å; E135-I139 WeakPolarHBondContact O-CG1 3.13Å; E135-I139 PolarHBondContact O-N 3.31Å; E135-P277 HydrophobicContact CG-CB 4.49Å; E135-P277 HydrophobicContact CG-CG 3.92Å; E135-P277 WeakPolarHBondContact OE1-CB 3.15Å
136	L	91.8	Very high	83	Confident	17 Å²	17	41.9 Å²	41.9	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-41.1	175.3	-178.7	65.8	0	0	0	112.8	C134 F140 V311 V312 Y315 F343 V347	C134-L136 PolarHBondContact O-N 3.45Å; L136-F140 VanDerWaalsContact O-CB 3.23Å; L136-F140 WeakPolarHBondContact O-CB 3.36Å; L136-F140 PolarHBondContact O-N 2.96Å; L136-V311 HydrophobicContact CD1-CB 4.47Å; L136-V311 HydrophobicContact CD1-CG2 4.28Å; L136-V312 HydrophobicContact CD1-CB 4.45Å; L136-V312 HydrophobicContact CD1-CG2 3.81Å; L136-Y315 HydrophobicContact CD2-CD1 3.94Å; L136-Y315 HydrophobicContact CD2-CE1 4.4Å; L136-Y315 HydrophobicContact CD2-CG 4.06Å; L136-Y315 HydrophobicContact CG-CD1 4.15Å; L136-F343 HydrophobicContact CD2-CD1 4.02Å; L136-F343 HydrophobicContact CD2-CE1 3.84Å; L136-V347 HydrophobicContact CD2-CG1 3.62Å
137	E	91.1	Very high	84	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-40.4	178.1	-72	174.8	117.4	0	0	111.1	F133 C134 G141 K173 S174 Y351	F133-E137 HydrophobicContact CB-CB 4.19Å; F133-E137 HydrophobicContact CD1-CB 4.11Å; C134-E137 PolarHBondContact N-OE2 2.86Å; C134-E137 PolarHBondContact O-N 2.89Å; C134-E137 PolarHBondContact SG-N 3.41Å; C134-E137 PolarHBondContact SG-OE2 3.35Å; E137-G141 PolarHBondContact O-N 3.46Å; E137-K173 WeakPolarHBondContact OE1-CB 3.31Å; E137-S174 PolarHBondContact OE1-OG 3.49Å; E137-Y351 VanDerWaalsContact CD-CE2 3.43Å; E137-Y351 VanDerWaalsContact CD-OH 3.29Å; E137-Y351 HydrophobicContact CG-CE2 4.18Å; E137-Y351 PolarHBondContact OE1-OH 3.26Å; E137-Y351 VanDerWaalsContact OE2-CE2 3.26Å; E137-Y351 WeakPolarHBondContact OE2-CE2 3.32Å; E137-Y351 VanDerWaalsContact OE2-CZ 3.32Å; E137-Y351 PolarHBondContact OE2-OH 2.78Å
138	I	92.8	Very high	85.6	Confident	15 Å²	15	35.8 Å²	35.8	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-51.5	175.2	-63.4	171.5	0	0	0	110.5	F133 C134 E135 F140 G141 I142 I241	F133-I138 HydrophobicContact CB-CD1 4.17Å; F133-I138 HydrophobicContact CB-CG1 3.68Å; F133-I138 HydrophobicContact CG-CG1 4.48Å; C134-I138 PolarHBondContact O-N 2.87Å; E135-I138 PolarHBondContact O-N 3.07Å; I138-F140 VanDerWaalsContact C-N 3.31Å; I138-F140 PolarHBondContact O-N 3.24Å; I138-G141 PolarHBondContact O-N 2.58Å; I138-I142 HydrophobicContact CG2-CD1 3.66Å; I138-I142 HydrophobicContact CG2-CG1 4.41Å; I138-I142 WeakPolarHBondContact O-CB 2.84Å; I138-I142 WeakPolarHBondContact O-CG1 3.24Å; I138-I142 PolarHBondContact O-N 3.39Å; I138-I241 HydrophobicContact CD1-CG2 3.95Å; I138-I241 HydrophobicContact CG1-CG2 4.18Å; I138-I241 HydrophobicContact CG2-CG2 4.15Å
139	I	94.8	Very high	87.5	Confident	10 Å²	10	29.1 Å²	29.1	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-44.1	179	-72.8	164.8	0	0	0	111	E135 Y143 L280 V306 F307 V312	E135-I139 HydrophobicContact CG-CD1 3.52Å; E135-I139 HydrophobicContact CG-CG1 4.3Å; E135-I139 WeakPolarHBondContact O-CB 3.5Å; E135-I139 WeakPolarHBondContact O-CD1 3.33Å; E135-I139 VanDerWaalsContact O-CG1 3.24Å; E135-I139 WeakPolarHBondContact O-CG1 3.13Å; E135-I139 PolarHBondContact O-N 3.31Å; I139-Y143 PolarHBondContact O-N 3.04Å; I139-L280 HydrophobicContact CG1-CD1 4.44Å; I139-V306 HydrophobicContact CD1-CG2 3.62Å; I139-V306 HydrophobicContact CG1-CG2 4.04Å; I139-V306 HydrophobicContact CG2-CG2 3.84Å; I139-F307 HydrophobicContact CG2-CD1 3.88Å; I139-F307 HydrophobicContact CG2-CE1 4.16Å; I139-F307 WeakPolarHBondContact O-CE1 3.5Å; I139-V312 HydrophobicContact CG2-CG2 3.79Å
140	F	94.4	Very high	89.6	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-72.7	-38.1	-178.7	-172.9	-137.8	0	0	0	112.3	L136 I138 Y143 Q144 S174 V312 Y315 E316 L319	L136-F140 VanDerWaalsContact O-CB 3.23Å; L136-F140 WeakPolarHBondContact O-CB 3.36Å; L136-F140 PolarHBondContact O-N 2.96Å; I138-F140 VanDerWaalsContact C-N 3.31Å; I138-F140 PolarHBondContact O-N 3.24Å; F140-Y143 HydrophobicContact CD2-CD1 4.05Å; F140-Y143 HydrophobicContact CE2-CD1 4.07Å; F140-Y143 WeakPolarHBondContact O-CB 3.49Å; F140-Y143 PolarHBondContact O-N 2.92Å; F140-Q144 VanDerWaalsContact CD1-NE2 3.32Å; F140-Q144 HydrophobicContact CD2-CG 4.37Å; F140-Q144 HydrophobicContact CE2-CG 4.17Å; F140-Q144 HydrophobicContact CZ-CG 4.37Å; F140-Q144 VanDerWaalsContact O-CG 3.23Å; F140-Q144 WeakPolarHBondContact O-CG 3.48Å; F140-Q144 PolarHBondContact O-N 3.01Å; F140-S174 WeakPolarHBondContact CD1-O 3.33Å; F140-S174 WeakPolarHBondContact CE1-O 3.39Å; F140-V312 HydrophobicContact CB-CG1 4.5Å; F140-V312 HydrophobicContact CD2-CG1 3.99Å; F140-Y315 AromaticContact CD1-CD1 3.78Å; F140-Y315 HydrophobicContact CD1-CD1 3.78Å; F140-Y315 HydrophobicContact CD1-CE1 4.17Å; F140-Y315 HydrophobicContact CE1-CD1 4.23Å; F140-Y315 HydrophobicContact CG-CD1 4.45Å; F140-E316 HydrophobicContact CE2-CB 3.58Å; F140-E316 HydrophobicContact CE2-CG 3.98Å; F140-E316 HydrophobicContact CZ-CB 3.61Å; F140-E316 HydrophobicContact CZ-CG 3.94Å; F140-L319 HydrophobicContact CD1-CD1 4.47Å; F140-L319 HydrophobicContact CE1-CD1 3.68Å
141	G	95.7	Very high	91.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-44.9	172.2	0	0	0	0	0	112.7	E137 I138 Y143 Q144 I145 W176	E137-G141 PolarHBondContact O-N 3.46Å; I138-G141 PolarHBondContact O-N 2.58Å; G141-Y143 VanDerWaalsContact C-N 3.32Å; G141-Y143 PolarHBondContact O-N 3.03Å; G141-Q144 WeakPolarHBondContact O-CB 3.4Å; G141-Q144 PolarHBondContact O-N 3.47Å; G141-I145 WeakPolarHBondContact O-CG1 3.22Å; G141-I145 PolarHBondContact O-N 3.29Å; G141-W176 VanDerWaalsContact CA-CD2 3.44Å
142	I	97	Very high	93.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-41.2	174.5	-65.5	166.5	0	0	0	110.8	I138 I145 T146 V238 L280 F301 F307	I138-I142 HydrophobicContact CG2-CD1 3.66Å; I138-I142 HydrophobicContact CG2-CG1 4.41Å; I138-I142 WeakPolarHBondContact O-CB 2.84Å; I138-I142 WeakPolarHBondContact O-CG1 3.24Å; I138-I142 PolarHBondContact O-N 3.39Å; I142-I145 PolarHBondContact O-N 3.07Å; I142-T146 VanDerWaalsContact O-CB 3.32Å; I142-T146 WeakPolarHBondContact O-CB 3.45Å; I142-T146 PolarHBondContact O-N 2.91Å; I142-T146 PolarHBondContact O-OG1 3.43Å; I142-V238 HydrophobicContact CD1-CB 4.44Å; I142-V238 HydrophobicContact CD1-CG1 3.94Å; I142-V238 HydrophobicContact CD1-CG2 3.65Å; I142-V238 HydrophobicContact CG1-CG2 3.88Å; I142-V238 HydrophobicContact CG2-CG2 4.33Å; I142-L280 HydrophobicContact CD1-CD1 3.85Å; I142-F301 HydrophobicContact CG2-CE1 3.74Å; I142-F301 HydrophobicContact CG2-CZ 4.1Å; I142-F307 HydrophobicContact CB-CE1 4.32Å; I142-F307 HydrophobicContact CB-CZ 4.45Å; I142-F307 HydrophobicContact CG2-CE1 4.09Å; I142-F307 HydrophobicContact CG2-CZ 3.72Å
143	Y	96.5	Very high	94.6	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.035	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-44.6	173.9	174.9	-114	0	0	0	112.3	I139 F140 G141 I145 T146 D147 F307	I139-Y143 PolarHBondContact O-N 3.04Å; F140-Y143 HydrophobicContact CD2-CD1 4.05Å; F140-Y143 HydrophobicContact CE2-CD1 4.07Å; F140-Y143 WeakPolarHBondContact O-CB 3.49Å; F140-Y143 PolarHBondContact O-N 2.92Å; G141-Y143 VanDerWaalsContact C-N 3.32Å; G141-Y143 PolarHBondContact O-N 3.03Å; Y143-I145 PolarHBondContact O-N 2.84Å; Y143-T146 WeakPolarHBondContact O-CB 3.47Å; Y143-T146 PolarHBondContact O-N 3.13Å; Y143-D147 WeakPolarHBondContact O-CB 3.48Å; Y143-D147 PolarHBondContact O-N 2.94Å; Y143-F307 HydrophobicContact CD2-CB 3.69Å; Y143-F307 HydrophobicContact CD2-CD1 4.43Å; Y143-F307 HydrophobicContact CD2-CD2 4.19Å; Y143-F307 AromaticContact CD2-CG 3.87Å; Y143-F307 HydrophobicContact CD2-CG 3.87Å; Y143-F307 HydrophobicContact CE2-CB 4.31Å; Y143-F307 HydrophobicContact CG-CB 4.2Å; Y143-F307 HydrophobicContact CG-CD1 4.43Å; Y143-F307 HydrophobicContact CG-CG 4.3Å
144	Q	96.8	Very high	95	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-61.3	-41.9	179.4	-72	166.3	-7.6	0	0	112.5	R95 F140 G141 D147 A148 S174 W176	R95-Q144 WeakPolarHBondContact CG-O 3.37Å; F140-Q144 VanDerWaalsContact CD1-NE2 3.32Å; F140-Q144 HydrophobicContact CD2-CG 4.37Å; F140-Q144 HydrophobicContact CE2-CG 4.17Å; F140-Q144 HydrophobicContact CZ-CG 4.37Å; F140-Q144 VanDerWaalsContact O-CG 3.23Å; F140-Q144 WeakPolarHBondContact O-CG 3.48Å; F140-Q144 PolarHBondContact O-N 3.01Å; G141-Q144 WeakPolarHBondContact O-CB 3.4Å; G141-Q144 PolarHBondContact O-N 3.47Å; Q144-D147 PolarHBondContact O-N 3Å; Q144-A148 PolarHBondContact O-N 3.01Å; Q144-A148 VanDerWaalsContact O-N 3.09Å; Q144-S174 PolarHBondContact NE2-O 2.55Å; Q144-W176 PolarHBondContact OE1-O 3.21Å
145	I	98	Very high	95.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-71.3	-39.8	174.9	-56.7	-57.4	0	0	0	111	G141 I142 Y143 D147 A148 L149 I168 W176 L178 L234	G141-I145 WeakPolarHBondContact O-CG1 3.22Å; G141-I145 PolarHBondContact O-N 3.29Å; I142-I145 PolarHBondContact O-N 3.07Å; Y143-I145 PolarHBondContact O-N 2.84Å; I145-D147 PolarHBondContact O-N 3.46Å; I145-A148 WeakPolarHBondContact O-CB 3.41Å; I145-A148 PolarHBondContact O-N 3.38Å; I145-A148 VanDerWaalsContact O-N 3.14Å; I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.33Å; I145-I168 HydrophobicContact CD1-CD1 4.38Å; I145-I168 HydrophobicContact CD1-CG1 3.99Å; I145-I168 HydrophobicContact CD1-CG2 4.14Å; I145-I168 HydrophobicContact CG1-CD1 4.08Å; I145-I168 HydrophobicContact CG1-CG1 4.25Å; I145-W176 HydrophobicContact CD1-CB 4.37Å; I145-W176 HydrophobicContact CG1-CE3 4.42Å; I145-L178 HydrophobicContact CD1-CB 4.06Å; I145-L234 HydrophobicContact CB-CD1 4.3Å; I145-L234 HydrophobicContact CG2-CD1 3.83Å
146	T	97.6	Very high	95.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.6	-39.2	173.2	-58.5	0	0	0	0	111.8	I142 Y143 L149 R150 F301 A302	I142-T146 VanDerWaalsContact O-CB 3.32Å; I142-T146 WeakPolarHBondContact O-CB 3.45Å; I142-T146 PolarHBondContact O-N 2.91Å; I142-T146 PolarHBondContact O-OG1 3.43Å; Y143-T146 WeakPolarHBondContact O-CB 3.47Å; Y143-T146 PolarHBondContact O-N 3.13Å; T146-L149 PolarHBondContact O-N 3.04Å; T146-R150 VanDerWaalsContact O-CB 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.13Å; T146-R150 PolarHBondContact O-N 2.89Å; T146-F301 HydrophobicContact CG2-CB 4.37Å; T146-F301 HydrophobicContact CG2-CD1 3.67Å; T146-F301 HydrophobicContact CG2-CG 4.5Å; T146-F301 VanDerWaalsContact OG1-CD1 3.29Å; T146-F301 WeakPolarHBondContact OG1-CD1 3.33Å; T146-F301 WeakPolarHBondContact OG1-CE1 3.35Å; T146-A302 HydrophobicContact CG2-CB 3.92Å
147	D	96	Very high	95.6	Very high	13 Å²	13	21.7 Å²	21.7	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-68.6	-38	177.2	-171.5	44.6	0	0	0	112.1	H93 R95 Y143 Q144 I145 R150 Y151	H93-D147 IonicContact CE1-OD2 3.84Å; R95-D147 HydrophobicContact CG-CB 4.23Å; R95-D147 IonicContact CZ-OD2 3.4Å; R95-D147 IonicContact NE-OD2 3.7Å; R95-D147 PolarHBondContact NE-OD2 2.92Å; R95-D147 IonicContact NH2-OD2 2.64Å; R95-D147 PolarHBondContact NH2-OD2 3.03Å; Y143-D147 WeakPolarHBondContact O-CB 3.48Å; Y143-D147 PolarHBondContact O-N 2.94Å; Q144-D147 PolarHBondContact O-N 3Å; I145-D147 PolarHBondContact O-N 3.46Å; D147-R150 PolarHBondContact O-N 3.35Å; D147-R150 IonicContact OD1-CZ 2.8Å; D147-R150 IonicContact OD1-NE 2.66Å; D147-R150 PolarHBondContact OD1-NE 3.22Å; D147-R150 IonicContact OD1-NH2 3.4Å; D147-R150 PolarHBondContact OD1-NH2 3.43Å; D147-Y151 PolarHBondContact O-N 3.1Å
148	A	97.5	Very high	95.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-47.1	170	0	0	0	0	0	112.1	R95 F96 Q144 I145 Y151 L152 L178	R95-A148 HydrophobicContact CB-CB 3.67Å; R95-A148 HydrophobicContact CG-CB 4.49Å; F96-A148 HydrophobicContact CE1-CB 4.21Å; Q144-A148 PolarHBondContact O-N 3.01Å; Q144-A148 VanDerWaalsContact O-N 3.09Å; I145-A148 WeakPolarHBondContact O-CB 3.41Å; I145-A148 PolarHBondContact O-N 3.38Å; I145-A148 VanDerWaalsContact O-N 3.14Å; A148-Y151 PolarHBondContact O-N 3Å; A148-L152 WeakPolarHBondContact O-CB 3.39Å; A148-L152 PolarHBondContact O-N 3.1Å; A148-L178 HydrophobicContact CB-CB 4.13Å; A148-L178 HydrophobicContact CB-CD2 4.11Å
149	L	97.9	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-38.7	177.1	-62.2	-175.7	0	0	0	112	I145 T146 Y151 L152 H153 H160 I163 L178 M231 L234	I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.33Å; T146-L149 PolarHBondContact O-N 3.04Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 2.96Å; L149-L152 PolarHBondContact O-N 3.22Å; L149-H153 VanDerWaalsContact O-CB 3.32Å; L149-H153 WeakPolarHBondContact O-CB 3.26Å; L149-H153 PolarHBondContact O-N 2.74Å; L149-H153 PolarHBondContact O-ND1 3.34Å; L149-H160 HydrophobicContact CD2-CB 4.32Å; L149-I163 HydrophobicContact CD1-CD1 3.71Å; L149-I163 HydrophobicContact CD2-CD1 3.54Å; L149-I163 HydrophobicContact CD2-CG1 4.45Å; L149-I163 HydrophobicContact CG-CD1 4.22Å; L149-L178 HydrophobicContact CD2-CD2 3.83Å; L149-M231 HydrophobicContact CD1-SD 4.04Å; L149-L234 HydrophobicContact CD1-CB 4.33Å; L149-L234 HydrophobicContact CD1-CD2 3.9Å
150	R	96.4	Very high	95.7	Very high	78 Å²	78	22.5 Å²	22.5	29%	0.294	11%	0.11	S	C	.	.	H	α-helix	trans	-58.6	-42.4	175	-175.8	175.2	68.5	125.9	-0.1	111.2	T146 D147 S154 Q299	T146-R150 VanDerWaalsContact O-CB 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.13Å; T146-R150 PolarHBondContact O-N 2.89Å; D147-R150 PolarHBondContact O-N 3.35Å; D147-R150 IonicContact OD1-CZ 2.8Å; D147-R150 IonicContact OD1-NE 2.66Å; D147-R150 PolarHBondContact OD1-NE 3.22Å; D147-R150 IonicContact OD1-NH2 3.4Å; D147-R150 PolarHBondContact OD1-NH2 3.43Å; R150-S154 WeakPolarHBondContact O-CB 3.09Å; R150-S154 PolarHBondContact O-N 3.16Å; R150-S154 VanDerWaalsContact O-N 3.09Å; R150-S154 PolarHBondContact O-OG 3.13Å; R150-Q299 HydrophobicContact CG-CG 4.41Å
151	Y	96.6	Very high	95.7	Very high	41 Å²	41	22.7 Å²	22.7	16%	0.161	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-49.9	172	172.3	-94	0	0	0	111.8	L91 H93 F96 D147 A148 L149 H153 T155 Q156	L91-Y151 HydrophobicContact CD2-CE1 4.49Å; H93-Y151 HydrophobicContact CB-CD1 4.02Å; H93-Y151 HydrophobicContact CB-CE1 3.97Å; H93-Y151 HydrophobicContact CB-CE2 4.49Å; H93-Y151 HydrophobicContact CB-CG 4.29Å; H93-Y151 AromaticContact CD2-CD2 3.51Å; H93-Y151 AromaticContact CD2-CE2 3.97Å; H93-Y151 AromaticContact CD2-CG 3.66Å; H93-Y151 AromaticContact CG-CG 3.83Å; H93-Y151 AromaticContact NE2-CD2 3.99Å; F96-Y151 AromaticContact CE2-CD1 3.71Å; F96-Y151 HydrophobicContact CE2-CD1 3.71Å; F96-Y151 AromaticContact CE2-CE1 3.81Å; F96-Y151 HydrophobicContact CE2-CE1 3.81Å; F96-Y151 HydrophobicContact CZ-CD1 4.29Å; D147-Y151 PolarHBondContact O-N 3.1Å; A148-Y151 PolarHBondContact O-N 3Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 2.96Å; Y151-H153 PolarHBondContact O-N 2.82Å; Y151-T155 HydrophobicContact CD2-CG2 3.93Å; Y151-T155 HydrophobicContact CE2-CG2 3.73Å; Y151-T155 WeakPolarHBondContact O-CA 3.05Å; Y151-T155 VanDerWaalsContact O-CB 3.27Å; Y151-T155 WeakPolarHBondContact O-CB 3.3Å; Y151-T155 PolarHBondContact O-N 3Å; Y151-Q156 HydrophobicContact CD1-CG 4.08Å; Y151-Q156 HydrophobicContact CE1-CG 3.49Å; Y151-Q156 VanDerWaalsContact CE1-CG 3.49Å; Y151-Q156 PolarHBondContact O-N 3.12Å
152	L	96.3	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-51.9	-177.3	-164.9	70.5	0	0	0	112	L91 F96 A148 L149 Q156 E157 L158 H160 L184	L91-L152 HydrophobicContact CD1-CD1 3.7Å; F96-L152 HydrophobicContact CZ-CD1 4.24Å; A148-L152 WeakPolarHBondContact O-CB 3.39Å; A148-L152 PolarHBondContact O-N 3.1Å; L149-L152 PolarHBondContact O-N 3.22Å; L152-Q156 PolarHBondContact O-N 3.25Å; L152-E157 PolarHBondContact O-N 3.22Å; L152-L158 CarbonylContact C-O 3.6Å; L152-L158 HydrophobicContact CD1-CB 3.72Å; L152-L158 HydrophobicContact CD1-CD1 4.16Å; L152-L158 HydrophobicContact CD1-CG 4.49Å; L152-L158 HydrophobicContact CG-CB 3.88Å; L152-L158 PolarHBondContact O-N 2.81Å; L152-H160 HydrophobicContact CD2-CB 3.73Å; L152-L184 HydrophobicContact CD1-CD2 4.18Å; L152-L184 HydrophobicContact CD2-CD2 4.11Å
153	H	95.8	Very high	95.6	Very high	13 Å²	13	23 Å²	23	6%	0.06	11%	0.113	C	C	.	.	H	α-helix	trans	-70.4	-39.7	-178.1	-55.3	162.4	0	0	0	113	L149 Y151 L158 P227 D230 S298	L149-H153 VanDerWaalsContact O-CB 3.32Å; L149-H153 WeakPolarHBondContact O-CB 3.26Å; L149-H153 PolarHBondContact O-N 2.74Å; L149-H153 PolarHBondContact O-ND1 3.34Å; Y151-H153 PolarHBondContact O-N 2.82Å; H153-L158 PolarHBondContact CD2-O 3.48Å; H153-P227 HydrophobicContact CB-CB 4.27Å; H153-P227 HydrophobicContact CB-CG 4.47Å; H153-P227 PolarHBondContact CE1-O 3.49Å; H153-D230 IonicContact NE2-OD2 3.23Å; H153-D230 PolarHBondContact NE2-OD2 3.06Å; H153-S298 WeakPolarHBondContact ND1-CB 3.29Å; H153-S298 PolarHBondContact ND1-OG 3.27Å
154	S	93.4	Very high	95.5	Very high	46 Å²	46	23 Å²	23	32%	0.322	11%	0.114	S	C	.	.	H	α-helix	trans	-98	-26.9	-170.3	-33.8	0	0	0	0	114.9	R150 Q299	R150-S154 WeakPolarHBondContact O-CB 3.09Å; R150-S154 PolarHBondContact O-N 3.16Å; R150-S154 VanDerWaalsContact O-N 3.09Å; R150-S154 PolarHBondContact O-OG 3.13Å; S154-Q299 PolarHBondContact OG-NE2 3.05Å
155	T	94	Very high	95.4	Very high	46 Å²	46	23.5 Å²	23.5	28%	0.282	12%	0.117	S	C	.	.	H	α-helix	trans	-114.1	-24.3	-172.1	-63.4	0	0	0	0	112.6	Y151 Y780	Y151-T155 HydrophobicContact CD2-CG2 3.93Å; Y151-T155 HydrophobicContact CE2-CG2 3.73Å; Y151-T155 WeakPolarHBondContact O-CA 3.05Å; Y151-T155 VanDerWaalsContact O-CB 3.27Å; Y151-T155 WeakPolarHBondContact O-CB 3.3Å; Y151-T155 PolarHBondContact O-N 3Å; T155-Y780 WeakPolarHBondContact CG2-OH 3.38Å; T155-Y780 WeakPolarHBondContact OG1-CE2 3.39Å; T155-Y780 PolarHBondContact OG1-OH 3.11Å
156	Q	94.5	Very high	95.2	Very high	70 Å²	70	23.9 Å²	23.9	33%	0.327	12%	0.12	S	C	.	.	S	Bend	trans	-109	-12.1	177.5	-60.9	-64.4	-74	0	0	113.5	L91 Y151 L152 L158	L91-Q156 HydrophobicContact CD2-CG 3.88Å; Y151-Q156 HydrophobicContact CD1-CG 4.08Å; Y151-Q156 HydrophobicContact CE1-CG 3.49Å; Y151-Q156 VanDerWaalsContact CE1-CG 3.49Å; Y151-Q156 PolarHBondContact O-N 3.12Å; L152-Q156 PolarHBondContact O-N 3.25Å; Q156-L158 HydrophobicContact CB-CB 4.4Å; Q156-L158 HydrophobicContact CB-CD1 4.12Å; Q156-L158 HydrophobicContact CB-CG 3.94Å; Q156-L158 PolarHBondContact O-N 2.99Å
157	E	93.9	Very high	95.1	Very high	107 Å²	107	23.9 Å²	23.9	50%	0.5	12%	0.12	S	C	.	.			trans	55.9	36	-171.7	-53.2	-177.1	145.3	0	0	112.8	L152 K186 I187	L152-E157 PolarHBondContact O-N 3.22Å; E157-K186 WeakPolarHBondContact O-CG 3.26Å; E157-K186 WeakPolarHBondContact OE2-CE 3.1Å; E157-K186 IonicContact OE2-NZ 3.74Å; E157-K186 PolarHBondContact OE2-NZ 3.09Å; E157-I187 WeakPolarHBondContact O-CB 3.42Å; E157-I187 WeakPolarHBondContact O-CG1 3.43Å; E157-I187 PolarHBondContact O-N 3.1Å
158	L	94.2	Very high	95.1	Very high	34 Å²	34	23.3 Å²	23.3	18%	0.178	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161.9	-178.7	-59.1	-177.8	0	0	0	111.9	L91 L152 H153 Q156 L184 E185 K186	L91-L158 HydrophobicContact CD2-CD1 4.44Å; L152-L158 CarbonylContact C-O 3.6Å; L152-L158 HydrophobicContact CD1-CB 3.72Å; L152-L158 HydrophobicContact CD1-CD1 4.16Å; L152-L158 HydrophobicContact CD1-CG 4.49Å; L152-L158 HydrophobicContact CG-CB 3.88Å; L152-L158 PolarHBondContact O-N 2.81Å; H153-L158 PolarHBondContact CD2-O 3.48Å; Q156-L158 HydrophobicContact CB-CB 4.4Å; Q156-L158 HydrophobicContact CB-CD1 4.12Å; Q156-L158 HydrophobicContact CB-CG 3.94Å; Q156-L158 PolarHBondContact O-N 2.99Å; L158-L184 HydrophobicContact CD1-CD1 4.01Å; L158-E185 CarbonylContact C-O 3.56Å; L158-E185 WeakPolarHBondContact CA-O 3.41Å; L158-K186 HydrophobicContact CD2-CB 4.1Å; L158-K186 HydrophobicContact CD2-CG 4.29Å
159	M	94.1	Very high	95.1	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.039	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.1	170.3	-63.8	174.2	-61.6	0	0	109.2	L184 E185 K186 I187 M225 S226 P227 D230	M159-L184 WeakPolarHBondContact O-CA 3.4Å; M159-L184 VanDerWaalsContact O-CD2 3.31Å; M159-L184 WeakPolarHBondContact O-CD2 3.43Å; M159-E185 HydrophobicContact CE-CB 4.01Å; M159-E185 PolarHBondContact N-O 2.95Å; M159-E185 PolarHBondContact O-N 3.14Å; M159-K186 WeakPolarHBondContact CE-O 3.47Å; M159-I187 HydrophobicContact CG-CG1 3.76Å; M159-I187 HydrophobicContact SD-CG1 4.35Å; M159-M225 HydrophobicContact CE-CB 3.93Å; M159-M225 HydrophobicContact SD-CB 4.11Å; M159-S226 VanDerWaalsContact SD-CA 3.54Å; M159-P227 HydrophobicContact CG-CG 4.29Å; M159-D230 VanDerWaalsContact CA-OD2 3.26Å; M159-D230 WeakPolarHBondContact CA-OD2 3.28Å; M159-D230 WeakPolarHBondContact CB-OD2 3.35Å
160	H	94.3	Very high	94.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.			trans	-82.8	-36.3	-178	-167.7	-99.1	0	0	0	112.8	L149 L152 N162 I163 G179 D230	L149-H160 HydrophobicContact CD2-CB 4.32Å; L152-H160 HydrophobicContact CD2-CB 3.73Å; H160-N162 PolarHBondContact CE1-O 3.22Å; H160-N162 PolarHBondContact ND1-O 3.19Å; H160-N162 PolarHBondContact O-N 2.9Å; H160-I163 HydrophobicContact CB-CD1 4.14Å; H160-I163 HydrophobicContact CB-CG1 3.82Å; H160-I163 WeakPolarHBondContact ND1-CG1 3.31Å; H160-I163 PolarHBondContact ND1-N 3.01Å; H160-G179 PolarHBondContact CE1-O 2.91Å; H160-G179 PolarHBondContact NE2-O 2.95Å; H160-G179 VanDerWaalsContact NE2-O 3.08Å; H160-D230 WeakPolarHBondContact CB-OD1 3.27Å; H160-D230 PolarHBondContact N-OD1 3.12Å; H160-D230 PolarHBondContact N-OD2 2.97Å
161	C	93.6	Very high	94.7	Very high	6 Å²	6	21 Å²	21	4%	0.041	11%	0.111	C	C	.	.	S	Bend	trans	63.1	-7.1	174.3	-50.6	0	0	0	0	116.3	F183 F197 P210 M225 D230	C161-F183 HydrophobicContact CB-CB 4.07Å; C161-F183 VanDerWaalsContact CB-O 3.31Å; C161-F183 WeakPolarHBondContact CB-O 3.33Å; C161-F183 PolarHBondContact SG-O 3.46Å; C161-F183 VanDerWaalsContact SG-O 3.34Å; C161-F197 HydrophobicContact CB-CD2 4Å; C161-F197 HydrophobicContact CB-CE2 3.84Å; C161-P210 WeakPolarHBondContact O-CB 3.47Å; C161-M225 HydrophobicContact CB-CE 4.06Å; C161-M225 VanDerWaalsContact SG-CE 3.5Å; C161-D230 PolarHBondContact N-OD1 3.01Å
162	N	93.7	Very high	94.3	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	12%	0.118	C	C	.	.			trans	-149.2	51	-176.8	-170.5	35.7	0	0	0	113.2	H160 N164 S167 F183 P210 D211	H160-N162 PolarHBondContact CE1-O 3.22Å; H160-N162 PolarHBondContact ND1-O 3.19Å; H160-N162 PolarHBondContact O-N 2.9Å; N162-N164 PolarHBondContact O-ND2 3.3Å; N162-N164 PolarHBondContact OD1-ND2 2.82Å; N162-S167 WeakPolarHBondContact O-CB 3.35Å; N162-S167 PolarHBondContact O-OG 2.85Å; N162-F183 HydrophobicContact CB-CB 4.4Å; N162-F183 HydrophobicContact CB-CD2 3.53Å; N162-F183 HydrophobicContact CB-CE2 4.26Å; N162-F183 HydrophobicContact CB-CG 4.35Å; N162-F183 WeakPolarHBondContact ND2-CE2 3.38Å; N162-P210 HydrophobicContact CB-CB 3.87Å; N162-P210 VanDerWaalsContact OD1-CA 3.23Å; N162-P210 WeakPolarHBondContact OD1-CA 3.49Å; N162-P210 WeakPolarHBondContact OD1-CB 3.39Å; N162-D211 PolarHBondContact OD1-N 3.12Å
163	I	96.4	Very high	93.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.126	C	C	.	.			trans	-82.1	121.2	174.9	-52.6	167.4	0	0	0	108.6	L149 H160 F214 D230 V237	L149-I163 HydrophobicContact CD1-CD1 3.71Å; L149-I163 HydrophobicContact CD2-CD1 3.54Å; L149-I163 HydrophobicContact CD2-CG1 4.45Å; L149-I163 HydrophobicContact CG-CD1 4.22Å; H160-I163 HydrophobicContact CB-CD1 4.14Å; H160-I163 HydrophobicContact CB-CG1 3.82Å; H160-I163 WeakPolarHBondContact ND1-CG1 3.31Å; H160-I163 PolarHBondContact ND1-N 3.01Å; I163-F214 WeakPolarHBondContact O-CB 3.3Å; I163-D230 HydrophobicContact CD1-CB 3.66Å; I163-D230 WeakPolarHBondContact CD1-O 3.47Å; I163-V237 HydrophobicContact CG2-CG2 4.24Å
164	N	95.2	Very high	93.4	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.048	13%	0.126	C	C	.	.	S	Bend	trans	-155	177.7	177	59.9	62.2	0	0	0	110.2	N162 A166 S167 I168 D211 F214	N162-N164 PolarHBondContact O-ND2 3.3Å; N162-N164 PolarHBondContact OD1-ND2 2.82Å; N164-A166 PolarHBondContact O-N 2.91Å; N164-A166 WeakPolarHBondContact OD1-CA 3.42Å; N164-A166 WeakPolarHBondContact OD1-CB 3.38Å; N164-A166 PolarHBondContact OD1-N 3Å; N164-S167 PolarHBondContact N-OG 3.43Å; N164-S167 VanDerWaalsContact N-OG 3.13Å; N164-S167 PolarHBondContact O-N 3.04Å; N164-S167 VanDerWaalsContact O-N 3.13Å; N164-S167 PolarHBondContact O-OG 3.3Å; N164-S167 PolarHBondContact OD1-N 3.25Å; N164-I168 PolarHBondContact O-N 3.48Å; N164-D211 HydrophobicContact CB-CB 4.31Å; N164-F214 HydrophobicContact CB-CB 4.22Å; N164-F214 HydrophobicContact CB-CD1 4.13Å; N164-F214 HydrophobicContact CB-CD2 3.49Å; N164-F214 VanDerWaalsContact CB-CD2 3.49Å; N164-F214 HydrophobicContact CB-CE1 4.4Å; N164-F214 HydrophobicContact CB-CE2 3.79Å; N164-F214 HydrophobicContact CB-CG 3.68Å; N164-F214 HydrophobicContact CB-CZ 4.25Å
165	T	94.8	Very high	93.3	Very high	12 Å²	12	23.2 Å²	23.2	7%	0.074	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.3	-179.5	50.2	0	0	0	0	113.9	L121 A122 F214 V237 A240	L121-T165 CarbonylContact C-O 3.46Å; L121-T165 WeakPolarHBondContact CB-O 3.27Å; L121-T165 HydrophobicContact CD2-CG2 4.24Å; L121-T165 HydrophobicContact CG-CG2 4.47Å; L121-T165 PolarHBondContact N-O 3.07Å; A122-T165 PolarHBondContact N-O 3.5Å; T165-F214 HydrophobicContact CG2-CE1 4.41Å; T165-F214 HydrophobicContact CG2-CZ 4.22Å; T165-V237 HydrophobicContact CG2-CG1 4.5Å; T165-A240 HydrophobicContact CG2-CB 4Å
166	A	94.1	Very high	93.4	Very high	9 Å²	9	21.1 Å²	21.1	7%	0.074	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-13.1	174.2	0	0	0	0	0	113.6	Y35 F39 A122 N164	Y35-A166 WeakPolarHBondContact CD2-O 3.49Å; F39-A166 HydrophobicContact CD1-CB 4.18Å; F39-A166 HydrophobicContact CE1-CB 3.44Å; F39-A166 VanDerWaalsContact CE1-CB 3.44Å; F39-A166 HydrophobicContact CZ-CB 3.73Å; A122-A166 HydrophobicContact CB-CB 4.41Å; N164-A166 PolarHBondContact O-N 2.91Å; N164-A166 WeakPolarHBondContact OD1-CA 3.42Å; N164-A166 WeakPolarHBondContact OD1-CB 3.38Å; N164-A166 PolarHBondContact OD1-N 3Å
167	S	94.9	Very high	93.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-15	177.1	92	0	0	0	0	112.8	N162 N164 G179	N162-S167 WeakPolarHBondContact O-CB 3.35Å; N162-S167 PolarHBondContact O-OG 2.85Å; N164-S167 PolarHBondContact N-OG 3.43Å; N164-S167 VanDerWaalsContact N-OG 3.13Å; N164-S167 PolarHBondContact O-N 3.04Å; N164-S167 VanDerWaalsContact O-N 3.13Å; N164-S167 PolarHBondContact O-OG 3.3Å; N164-S167 PolarHBondContact OD1-N 3.25Å; S167-G179 WeakPolarHBondContact CB-O 3.45Å; S167-G179 CarbonylContact O-C 3.55Å; S167-G179 WeakPolarHBondContact O-CA 3.48Å; S167-G179 PolarHBondContact O-N 3.32Å
168	I	96.2	Very high	93.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.1	174.6	-65.7	166.3	0	0	0	108.8	S120 L121 I145 N164 W176 L178 V237	S120-I168 CarbonylContact C-O 3.59Å; S120-I168 WeakPolarHBondContact CA-O 3.48Å; L121-I168 HydrophobicContact CB-CB 4.11Å; L121-I168 HydrophobicContact CB-CG2 4.08Å; L121-I168 HydrophobicContact CD2-CB 4.41Å; L121-I168 HydrophobicContact CD2-CD1 4.15Å; L121-I168 HydrophobicContact CD2-CG2 4.34Å; L121-I168 PolarHBondContact N-O 2.92Å; I145-I168 HydrophobicContact CD1-CD1 4.38Å; I145-I168 HydrophobicContact CD1-CG1 3.99Å; I145-I168 HydrophobicContact CD1-CG2 4.14Å; I145-I168 HydrophobicContact CG1-CD1 4.08Å; I145-I168 HydrophobicContact CG1-CG1 4.25Å; N164-I168 PolarHBondContact O-N 3.48Å; I168-W176 HydrophobicContact CG2-CB 4.27Å; I168-W176 HydrophobicContact CG2-CD2 4.38Å; I168-W176 HydrophobicContact CG2-CE3 3.9Å; I168-L178 HydrophobicContact CG1-CD1 4.35Å; I168-V237 HydrophobicContact CD1-CG1 3.7Å
169	L	95.8	Very high	93.7	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.5	-179.5	-70.2	168.4	0	0	0	110.3	Y35 L43 F58 V97 I117 K177	Y35-L169 HydrophobicContact CD2-CD1 3.59Å; Y35-L169 HydrophobicContact CD2-CD2 3.68Å; Y35-L169 HydrophobicContact CD2-CG 3.75Å; Y35-L169 HydrophobicContact CE2-CD1 3.56Å; Y35-L169 HydrophobicContact CE2-CD2 4.44Å; Y35-L169 HydrophobicContact CE2-CG 4.02Å; Y35-L169 HydrophobicContact CG-CD1 4.2Å; Y35-L169 HydrophobicContact CG-CD2 4.16Å; L43-L169 HydrophobicContact CD2-CD2 4.22Å; F58-L169 HydrophobicContact CE1-CD1 4.12Å; F58-L169 HydrophobicContact CZ-CD1 3.97Å; F58-L169 HydrophobicContact CZ-CD2 4.41Å; V97-L169 HydrophobicContact CG2-CB 4.07Å; V97-L169 HydrophobicContact CG2-CD1 3.76Å; I117-L169 HydrophobicContact CD1-CB 4.18Å; I117-L169 HydrophobicContact CD1-CD1 4.19Å; I117-L169 HydrophobicContact CG2-CB 4.36Å; I117-L169 HydrophobicContact CG2-CD2 4.13Å; L169-K177 PolarHBondContact N-O 3.44Å; L169-K177 PolarHBondContact O-N 3.05Å
170	L	95.1	Very high	93.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.2	-174.6	-59	174.4	0	0	0	109.5	I117 I118 G119 M124 F133 N172 W176	I117-L170 CarbonylContact C-O 3.54Å; I117-L170 VanDerWaalsContact CA-O 3.28Å; I117-L170 WeakPolarHBondContact CA-O 3.33Å; I118-L170 HydrophobicContact CD1-CB 4.17Å; I118-L170 HydrophobicContact CG1-CB 3.7Å; I118-L170 WeakPolarHBondContact CG1-O 3.38Å; I118-L170 PolarHBondContact N-O 3.01Å; G119-L170 PolarHBondContact O-N 3.12Å; M124-L170 HydrophobicContact CG-CD1 3.41Å; M124-L170 VanDerWaalsContact CG-CD1 3.41Å; M124-L170 HydrophobicContact SD-CD1 3.94Å; F133-L170 HydrophobicContact CE1-CD1 4.44Å; F133-L170 HydrophobicContact CZ-CD1 3.87Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-W176 HydrophobicContact CD2-CB 4.21Å; L170-W176 HydrophobicContact CD2-CD2 3.87Å; L170-W176 HydrophobicContact CD2-CG 3.56Å
171	V	92.5	Very high	93.5	Very high	27 Å²	27	11.6 Å²	11.6	16%	0.164	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-39.6	168.5	170.9	0	0	0	0	109.5	E115 P116 I117 I175 K177	E115-V171 HydrophobicContact CG-CG2 4.07Å; P116-V171 WeakPolarHBondContact O-CA 3.49Å; P116-V171 WeakPolarHBondContact O-CG1 3.36Å; I117-V171 HydrophobicContact CG1-CG2 4.33Å; V171-I175 HydrophobicContact CB-CB 4.06Å; V171-I175 HydrophobicContact CB-CG2 3.88Å; V171-I175 HydrophobicContact CG1-CG2 4.4Å; V171-I175 HydrophobicContact CG2-CG2 4.15Å; V171-I175 PolarHBondContact N-O 3.48Å; V171-K177 HydrophobicContact CG2-CD 3.82Å; V171-K177 HydrophobicContact CG2-CG 4.32Å
172	N	88.3	Confident	93.4	Very high	56 Å²	56	11.8 Å²	11.8	30%	0.299	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	179.6	162.1	58	57.5	0	0	0	107.4	L170 S174 I175	L170-N172 VanDerWaalsContact C-N 3.34Å; N172-S174 PolarHBondContact O-N 3.41Å; N172-S174 WeakPolarHBondContact OD1-CA 3.36Å; N172-S174 WeakPolarHBondContact OD1-CB 3.37Å; N172-S174 PolarHBondContact OD1-N 2.91Å; N172-I175 PolarHBondContact O-N 3.01Å; N172-I175 PolarHBondContact OD1-N 2.75Å
173	K	84.8	Confident	93.4	Very high	38 Å²	38	12.9 Å²	12.9	17%	0.165	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.6	-179	-73.5	-170.1	165.9	-170.2	0	114.9	I118 D130 S132 F133 E137 W176	I118-K173 HydrophobicContact CD1-CG 4.5Å; D130-K173 PolarHBondContact O-NZ 3.14Å; S132-K173 PolarHBondContact O-NZ 2.7Å; F133-K173 HydrophobicContact CD1-CB 4.07Å; F133-K173 HydrophobicContact CD1-CD 4.47Å; F133-K173 HydrophobicContact CD1-CG 4.31Å; F133-K173 HydrophobicContact CE1-CB 3.91Å; F133-K173 HydrophobicContact CE1-CG 4Å; F133-K173 WeakPolarHBondContact CE1-O 3.28Å; E137-K173 WeakPolarHBondContact OE1-CB 3.31Å; K173-W176 PolarHBondContact O-NE1 3.31Å
174	S	87.2	Confident	93.2	Very high	9 Å²	9	14.1 Å²	14.1	6%	0.063	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.3	-173.8	-35.6	0	0	0	0	113.6	E137 F140 Q144 N172 Y315	E137-S174 PolarHBondContact OE1-OG 3.49Å; F140-S174 WeakPolarHBondContact CD1-O 3.33Å; F140-S174 WeakPolarHBondContact CE1-O 3.39Å; Q144-S174 PolarHBondContact NE2-O 2.55Å; N172-S174 PolarHBondContact O-N 3.41Å; N172-S174 WeakPolarHBondContact OD1-CA 3.36Å; N172-S174 WeakPolarHBondContact OD1-CB 3.37Å; N172-S174 PolarHBondContact OD1-N 2.91Å; S174-Y315 WeakPolarHBondContact CB-OH 3.4Å; S174-Y315 PolarHBondContact OG-OH 3.21Å
175	I	92.7	Very high	92.9	Very high	45 Å²	45	15.9 Å²	15.9	23%	0.231	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	95.5	178	-59.2	-179.3	0	0	0	108.6	V171 N172	V171-I175 HydrophobicContact CB-CB 4.06Å; V171-I175 HydrophobicContact CB-CG2 3.88Å; V171-I175 HydrophobicContact CG1-CG2 4.4Å; V171-I175 HydrophobicContact CG2-CG2 4.15Å; V171-I175 PolarHBondContact N-O 3.48Å; N172-I175 PolarHBondContact O-N 3.01Å; N172-I175 PolarHBondContact OD1-N 2.75Å
176	W	96.1	Very high	92.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.8	177.6	-60.6	27.5	0	0	0	108.8	L121 F133 G141 Q144 I145 I168 L170 K173 I241	L121-W176 HydrophobicContact CD1-CH2 3.86Å; L121-W176 HydrophobicContact CD1-CZ2 4.15Å; L121-W176 HydrophobicContact CD1-CZ3 4.3Å; L121-W176 HydrophobicContact CD2-CE3 4.45Å; L121-W176 HydrophobicContact CD2-CH2 4.06Å; L121-W176 HydrophobicContact CD2-CZ3 3.76Å; F133-W176 HydrophobicContact CD1-CZ2 4.01Å; F133-W176 AromaticContact CE1-CE2 4Å; F133-W176 AromaticContact CE1-CZ2 3.76Å; F133-W176 HydrophobicContact CE1-CZ2 3.76Å; F133-W176 AromaticContact CE1-NE1 3.74Å; F133-W176 HydrophobicContact CG-CZ2 4.47Å; F133-W176 HydrophobicContact CZ-CZ2 4.03Å; G141-W176 VanDerWaalsContact CA-CD2 3.44Å; Q144-W176 PolarHBondContact OE1-O 3.21Å; I145-W176 HydrophobicContact CD1-CB 4.37Å; I145-W176 HydrophobicContact CG1-CE3 4.42Å; I168-W176 HydrophobicContact CG2-CB 4.27Å; I168-W176 HydrophobicContact CG2-CD2 4.38Å; I168-W176 HydrophobicContact CG2-CE3 3.9Å; L170-W176 HydrophobicContact CD2-CB 4.21Å; L170-W176 HydrophobicContact CD2-CD2 3.87Å; L170-W176 HydrophobicContact CD2-CG 3.56Å; K173-W176 PolarHBondContact O-NE1 3.31Å; W176-I241 HydrophobicContact CH2-CD1 3.62Å; W176-I241 HydrophobicContact CH2-CG1 4.37Å; W176-I241 HydrophobicContact CZ3-CD1 3.78Å
177	K	96.8	Very high	92.3	Very high	16 Å²	16	22.5 Å²	22.5	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.4	178.9	-67	-170.2	166.9	-162.5	0	110.3	P94 R95 F96 V97 E115 L169 V171	P94-K177 VanDerWaalsContact O-CE 3.24Å; P94-K177 WeakPolarHBondContact O-CE 3.45Å; R95-K177 CarbonylContact O-C 3.59Å; R95-K177 VanDerWaalsContact O-CA 3.3Å; R95-K177 WeakPolarHBondContact O-CA 3.2Å; F96-K177 WeakPolarHBondContact O-CD 3.34Å; V97-K177 HydrophobicContact CG2-CB 3.75Å; V97-K177 HydrophobicContact CG2-CD 4.28Å; E115-K177 VanDerWaalsContact OE1-CD 3.26Å; E115-K177 WeakPolarHBondContact OE1-CD 3.49Å; E115-K177 WeakPolarHBondContact OE1-CE 3.27Å; E115-K177 IonicContact OE1-NZ 2.6Å; E115-K177 PolarHBondContact OE1-NZ 2.89Å; E115-K177 WeakPolarHBondContact OE2-CE 3.38Å; E115-K177 IonicContact OE2-NZ 3.73Å; E115-K177 PolarHBondContact OE2-NZ 3.01Å; L169-K177 PolarHBondContact N-O 3.44Å; L169-K177 PolarHBondContact O-N 3.05Å; V171-K177 HydrophobicContact CG2-CD 3.82Å; V171-K177 HydrophobicContact CG2-CG 4.32Å
178	L	96.4	Very high	91.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.3	175.4	-171	55.5	0	0	0	109.4	R95 F96 I145 A148 L149 I168	R95-L178 PolarHBondContact O-N 3.37Å; F96-L178 WeakPolarHBondContact CA-O 3.14Å; F96-L178 HydrophobicContact CD1-CB 4.01Å; F96-L178 WeakPolarHBondContact CD1-O 3.49Å; F96-L178 HydrophobicContact CE1-CB 4.11Å; F96-L178 HydrophobicContact CE1-CD2 4.11Å; F96-L178 HydrophobicContact CE1-CG 4.28Å; I145-L178 HydrophobicContact CD1-CB 4.06Å; A148-L178 HydrophobicContact CB-CB 4.13Å; A148-L178 HydrophobicContact CB-CD2 4.11Å; L149-L178 HydrophobicContact CD2-CD2 3.83Å; I168-L178 HydrophobicContact CG1-CD1 4.35Å
179	G	94.4	Very high	89.9	Confident	1 Å²	1	29 Å²	29	1%	0.01	15%	0.147	C	C	.	.			trans	-128.7	-171	158.7	0	0	0	0	0	109	H160 S167	H160-G179 PolarHBondContact CE1-O 2.91Å; H160-G179 PolarHBondContact NE2-O 2.95Å; H160-G179 VanDerWaalsContact NE2-O 3.08Å; S167-G179 WeakPolarHBondContact CB-O 3.45Å; S167-G179 CarbonylContact O-C 3.55Å; S167-G179 WeakPolarHBondContact O-CA 3.48Å; S167-G179 PolarHBondContact O-N 3.32Å
180	G	91.4	Very high	88.2	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.01	18%	0.175	C	C	.	.			trans	103.2	17.3	-179.6	0	0	0	0	0	113.7	Y35 N182	Y35-G180 PolarHBondContact OH-N 3.45Å; G180-N182 VanDerWaalsContact C-ND2 3.31Å; G180-N182 PolarHBondContact O-N 3.39Å; G180-N182 PolarHBondContact O-ND2 2.93Å
181	L	93.7	Very high	86.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66.1	6.3	-173.1	-49.7	176.9	0	0	0	114.6	D84 N87 L88 L91 F96 F183 L184	D84-L181 WeakPolarHBondContact OD1-CA 3.33Å; D84-L181 WeakPolarHBondContact OD1-CB 3.44Å; D84-L181 PolarHBondContact OD1-N 3.33Å; N87-L181 HydrophobicContact CB-CB 3.83Å; N87-L181 HydrophobicContact CB-CD1 4.31Å; N87-L181 PolarHBondContact ND2-O 3.2Å; L88-L181 HydrophobicContact CB-CD1 4.03Å; L88-L181 HydrophobicContact CD1-CD1 3.66Å; L88-L181 HydrophobicContact CG-CD1 4.49Å; L91-L181 HydrophobicContact CD1-CD1 4.31Å; L91-L181 HydrophobicContact CD1-CD2 4.33Å; F96-L181 HydrophobicContact CD1-CD2 4.35Å; F96-L181 HydrophobicContact CE1-CD2 4.09Å; L181-F183 PolarHBondContact O-N 3.08Å; L181-L184 HydrophobicContact CB-CD1 4.05Å; L181-L184 HydrophobicContact CB-CG 4.03Å; L181-L184 HydrophobicContact CD2-CD1 4.21Å; L181-L184 HydrophobicContact CD2-CD2 3.94Å; L181-L184 HydrophobicContact CD2-CG 4.29Å; L181-L184 WeakPolarHBondContact O-CG 3.04Å
182	N	91.9	Very high	84.7	Confident	10 Å²	10	45 Å²	45	5%	0.053	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-46.8	-36.6	169.1	-57.4	-102.7	0	0	0	113.4	T80 D84 G180	T80-N182 HydrophobicContact CG2-CB 3.75Å; T80-N182 PolarHBondContact O-OD1 2.93Å; D84-N182 PolarHBondContact OD2-ND2 3.34Å; G180-N182 VanDerWaalsContact C-ND2 3.31Å; G180-N182 PolarHBondContact O-N 3.39Å; G180-N182 PolarHBondContact O-ND2 2.93Å
183	F	92	Very high	83.5	Confident	31 Å²	31	47.3 Å²	47.3	14%	0.136	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-117.4	22.1	-168.3	-54.9	-74.3	0	0	0	114.2	P37 T80 C161 N162 L181 E185 Q209 P210	P37-F183 HydrophobicContact CG-CE2 3.9Å; P37-F183 HydrophobicContact CG-CZ 4.19Å; T80-F183 HydrophobicContact CG2-CE1 3.82Å; T80-F183 HydrophobicContact CG2-CE2 4.32Å; T80-F183 HydrophobicContact CG2-CZ 3.58Å; C161-F183 HydrophobicContact CB-CB 4.07Å; C161-F183 VanDerWaalsContact CB-O 3.31Å; C161-F183 WeakPolarHBondContact CB-O 3.33Å; C161-F183 PolarHBondContact SG-O 3.46Å; C161-F183 VanDerWaalsContact SG-O 3.34Å; N162-F183 HydrophobicContact CB-CB 4.4Å; N162-F183 HydrophobicContact CB-CD2 3.53Å; N162-F183 HydrophobicContact CB-CE2 4.26Å; N162-F183 HydrophobicContact CB-CG 4.35Å; N162-F183 WeakPolarHBondContact ND2-CE2 3.38Å; L181-F183 PolarHBondContact O-N 3.08Å; F183-E185 PolarHBondContact O-N 2.9Å; F183-Q209 WeakPolarHBondContact CZ-O 3.44Å; F183-P210 HydrophobicContact CD1-CG 4.24Å; F183-P210 HydrophobicContact CD2-CB 4.45Å; F183-P210 HydrophobicContact CD2-CG 4.32Å; F183-P210 HydrophobicContact CG-CG 4.14Å
184	L	92.6	Very high	82.3	Confident	27 Å²	27	51.5 Å²	51.5	14%	0.141	27%	0.273	C	S	.	.			trans	-58.7	121.6	179	-67.9	-174.1	0	0	0	111.5	N87 L91 L152 L158 M159 L181	N87-L184 HydrophobicContact CB-CD1 3.81Å; L91-L184 HydrophobicContact CD1-CD1 3.6Å; L152-L184 HydrophobicContact CD1-CD2 4.18Å; L152-L184 HydrophobicContact CD2-CD2 4.11Å; L158-L184 HydrophobicContact CD1-CD1 4.01Å; M159-L184 WeakPolarHBondContact O-CA 3.4Å; M159-L184 VanDerWaalsContact O-CD2 3.31Å; M159-L184 WeakPolarHBondContact O-CD2 3.43Å; L181-L184 HydrophobicContact CB-CD1 4.05Å; L181-L184 HydrophobicContact CB-CG 4.03Å; L181-L184 HydrophobicContact CD2-CD1 4.21Å; L181-L184 HydrophobicContact CD2-CD2 3.94Å; L181-L184 HydrophobicContact CD2-CG 4.29Å; L181-L184 WeakPolarHBondContact O-CG 3.04Å
185	E	89.6	Confident	81.1	Confident	47 Å²	47	53.7 Å²	53.7	22%	0.22	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	149.9	172.1	-79.7	-62	163.1	0	0	110.9	L158 M159 F183 K196	L158-E185 CarbonylContact C-O 3.56Å; L158-E185 WeakPolarHBondContact CA-O 3.41Å; M159-E185 HydrophobicContact CE-CB 4.01Å; M159-E185 PolarHBondContact N-O 2.95Å; M159-E185 PolarHBondContact O-N 3.14Å; F183-E185 PolarHBondContact O-N 2.9Å; E185-K196 VanDerWaalsContact OE1-CB 3.23Å; E185-K196 WeakPolarHBondContact OE1-CB 3.38Å; E185-K196 VanDerWaalsContact OE1-CD 3.27Å; E185-K196 WeakPolarHBondContact OE1-CD 3.28Å
186	K	89.3	Confident	79.9	Confident	102 Å²	102	59.4 Å²	59.4	44%	0.443	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	141.1	173.9	-171.9	169.6	-179.8	168	0	109.9	E157 L158 M159 V188	E157-K186 WeakPolarHBondContact O-CG 3.26Å; E157-K186 WeakPolarHBondContact OE2-CE 3.1Å; E157-K186 IonicContact OE2-NZ 3.74Å; E157-K186 PolarHBondContact OE2-NZ 3.09Å; L158-K186 HydrophobicContact CD2-CB 4.1Å; L158-K186 HydrophobicContact CD2-CG 4.29Å; M159-K186 WeakPolarHBondContact CE-O 3.47Å; K186-V188 HydrophobicContact CB-CG2 4.12Å; K186-V188 HydrophobicContact CG-CG2 4.32Å; K186-V188 PolarHBondContact O-N 2.93Å
187	I	85.9	Confident	78.8	Confident	57 Å²	57	60.2 Å²	60.2	29%	0.292	31%	0.313	S	S	.	.			trans	-63.9	106.5	162.6	-59.4	171.6	0	0	0	107.3	E157 M159 P227	E157-I187 WeakPolarHBondContact O-CB 3.42Å; E157-I187 WeakPolarHBondContact O-CG1 3.43Å; E157-I187 PolarHBondContact O-N 3.1Å; M159-I187 HydrophobicContact CG-CG1 3.76Å; M159-I187 HydrophobicContact SD-CG1 4.35Å; I187-P227 HydrophobicContact CD1-CG 3.46Å; I187-P227 VanDerWaalsContact CD1-CG 3.46Å; I187-P227 HydrophobicContact CG1-CG 3.92Å
188	V	76.6	Confident	77.4	Confident	60 Å²	60	63.8 Å²	63.8	36%	0.364	34%	0.337	S	S	.	.			trans	-114.6	137.1	178.4	-178.1	0	0	0	0	109.4	K186 T190 I193	K186-V188 HydrophobicContact CB-CG2 4.12Å; K186-V188 HydrophobicContact CG-CG2 4.32Å; K186-V188 PolarHBondContact O-N 2.93Å; V188-T190 PolarHBondContact O-N 2.97Å; V188-T190 VanDerWaalsContact O-N 3.08Å; V188-I193 HydrophobicContact CG1-CB 3.92Å; V188-I193 HydrophobicContact CG1-CD1 4Å; V188-I193 HydrophobicContact CG1-CG1 3.98Å
189	D	65.4	Low	76.3	Confident	78 Å²	78	64.2 Å²	64.2	42%	0.417	34%	0.341	S	S	.	.			trans	-60.2	106.7	167.1	177.1	-4.1	0	0	0	109.5	T191 K192	D189-T191 PolarHBondContact O-N 3.24Å; D189-T191 WeakPolarHBondContact OD1-CB 3.21Å; D189-T191 WeakPolarHBondContact OD1-CG2 3.33Å; D189-T191 PolarHBondContact OD1-N 3.49Å; D189-T191 PolarHBondContact OD1-OG1 3.04Å; D189-T191 PolarHBondContact OD2-OG1 3.43Å; D189-K192 HydrophobicContact CB-CD 4.38Å; D189-K192 PolarHBondContact O-N 3.43Å; D189-K192 WeakPolarHBondContact OD2-CE 3.44Å; D189-K192 IonicContact OD2-NZ 2.67Å; D189-K192 PolarHBondContact OD2-NZ 3.13Å
190	T	60	Low	75.7	Confident	95 Å²	95	64.5 Å²	64.5	58%	0.583	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.6	-173.3	50.1	0	0	0	0	113.7	V188 K192	V188-T190 PolarHBondContact O-N 2.97Å; V188-T190 VanDerWaalsContact O-N 3.08Å; T190-K192 PolarHBondContact O-N 3.45Å
191	T	57.7	Low	75.3	Confident	113 Å²	113	66.3 Å²	66.3	69%	0.693	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-15.8	170.4	65.1	0	0	0	0	113.8	D189	D189-T191 PolarHBondContact O-N 3.24Å; D189-T191 WeakPolarHBondContact OD1-CB 3.21Å; D189-T191 WeakPolarHBondContact OD1-CG2 3.33Å; D189-T191 PolarHBondContact OD1-N 3.49Å; D189-T191 PolarHBondContact OD1-OG1 3.04Å; D189-T191 PolarHBondContact OD2-OG1 3.43Å
192	K	56	Low	74.6	Confident	156 Å²	156	72 Å²	72	68%	0.678	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-30.3	-168.5	-72.7	155.1	-173.3	149.7	0	115.6	D189 T190	D189-K192 HydrophobicContact CB-CD 4.38Å; D189-K192 PolarHBondContact O-N 3.43Å; D189-K192 WeakPolarHBondContact OD2-CE 3.44Å; D189-K192 IonicContact OD2-NZ 2.67Å; D189-K192 PolarHBondContact OD2-NZ 3.13Å; T190-K192 PolarHBondContact O-N 3.45Å
193	I	62	Low	74.2	Confident	106 Å²	106	80 Å²	80	54%	0.544	42%	0.424	S	S	.	.	S	Bend	trans	-143.5	136.5	-173.9	-45.1	-175.6	0	0	0	109.5	V188	V188-I193 HydrophobicContact CG1-CB 3.92Å; V188-I193 HydrophobicContact CG1-CD1 4Å; V188-I193 HydrophobicContact CG1-CG1 3.98Å
194	T	60.6	Low	73.8	Confident	126 Å²	126	80.8 Å²	80.8	77%	0.773	43%	0.431	S	S	*	.			trans	-65.1	129	170	50.9	0	0	0	0	110.2	K196	T194-K196 PolarHBondContact O-N 3.43Å
195	P	61	Low	73.5	Confident	54 Å²	54	80.1 Å²	80.1	35%	0.351	43%	0.428	S	S	.	.			trans	-60.7	139.5	176.3	24.6	-31.8	0	0	0	110.4	F197 N223	P195-F197 VanDerWaalsContact C-N 3.29Å; P195-N223 WeakPolarHBondContact CG-O 3.38Å
196	K	69.5	Low	73.3	Confident	165 Å²	165	81.2 Å²	81.2	72%	0.717	44%	0.438	S	S	*	.	S	Bend	trans	-71.1	-27	175.7	-71.4	176.4	178.5	175.8	0	112.8	E185 T194 T198	E185-K196 VanDerWaalsContact OE1-CB 3.23Å; E185-K196 WeakPolarHBondContact OE1-CB 3.38Å; E185-K196 VanDerWaalsContact OE1-CD 3.27Å; E185-K196 WeakPolarHBondContact OE1-CD 3.28Å; T194-K196 PolarHBondContact O-N 3.43Å; K196-T198 PolarHBondContact O-N 3.01Å
197	F	71	Confident	73.2	Confident	19 Å²	19	79.6 Å²	79.6	8%	0.083	43%	0.431	C	S	.	.			trans	-69.9	120.8	177.4	-172.1	-81.6	0	0	0	110.2	C161 P195 P210 I215 A219 M225	C161-F197 HydrophobicContact CB-CD2 4Å; C161-F197 HydrophobicContact CB-CE2 3.84Å; P195-F197 VanDerWaalsContact C-N 3.29Å; F197-P210 HydrophobicContact CE2-CG 3.65Å; F197-P210 HydrophobicContact CZ-CG 4.11Å; F197-I215 HydrophobicContact CZ-CD1 4.33Å; F197-I215 HydrophobicContact CZ-CG2 4.42Å; F197-A219 HydrophobicContact CE1-CB 3.82Å; F197-A219 HydrophobicContact CZ-CB 4.46Å; F197-M225 HydrophobicContact CB-CG 3.91Å; F197-M225 HydrophobicContact CD1-CE 4.43Å; F197-M225 HydrophobicContact CD1-CG 3.73Å; F197-M225 HydrophobicContact CD1-SD 3.78Å; F197-M225 HydrophobicContact CD2-CE 4.21Å; F197-M225 HydrophobicContact CE1-CG 4.46Å; F197-M225 HydrophobicContact CE1-SD 3.91Å; F197-M225 HydrophobicContact CE2-CE 4.31Å; F197-M225 HydrophobicContact CG-CE 4.26Å; F197-M225 HydrophobicContact CG-CG 3.89Å; F197-M225 HydrophobicContact CG-SD 4.14Å; F197-M225 HydrophobicContact CZ-CE 4.49Å; F197-M225 HydrophobicContact CZ-SD 4.37Å
198	T	67.4	Low	73.4	Confident	92 Å²	92	77.2 Å²	77.2	56%	0.564	42%	0.421	S	S	*	.			trans	-119.9	24.9	-176.8	58.6	0	0	0	0	113.5	K196 N223	K196-T198 PolarHBondContact O-N 3.01Å; T198-N223 WeakPolarHBondContact CA-OD1 3.42Å; T198-N223 PolarHBondContact O-OD1 2.97Å
199	G	74.6	Confident	74	Confident	8 Å²	8	75 Å²	75	8%	0.082	41%	0.406	C	S	.	.			trans	64.1	-174.6	-172.8	0	0	0	0	0	114
200	C	80.5	Confident	75.2	Confident	7 Å²	7	71.7 Å²	71.7	5%	0.047	39%	0.389	C	S	.	.			trans	-75	135.6	168.7	-175.5	0	0	0	0	110.5	L212 I215 Q220 P255	C200-L212 HydrophobicContact CB-CB 4.17Å; C200-L212 HydrophobicContact CB-CD1 4.1Å; C200-L212 HydrophobicContact CB-CD2 4.3Å; C200-L212 HydrophobicContact CB-CG 4.43Å; C200-I215 HydrophobicContact CB-CD1 4.32Å; C200-Q220 PolarHBondContact O-NE2 3.19Å; C200-P255 WeakPolarHBondContact O-CG 3.48Å
201	S	83.2	Confident	76.8	Confident	39 Å²	39	68.5 Å²	68.5	27%	0.273	37%	0.368	S	S	.	.			trans	-143.4	132.2	-173.5	-168.7	0	0	0	0	111.7	K203 V204 Q209	S201-K203 PolarHBondContact O-N 3.31Å; S201-V204 PolarHBondContact O-N 3.22Å; S201-V204 VanDerWaalsContact O-N 3.08Å; S201-Q209 PolarHBondContact O-NE2 3.44Å; S201-Q209 VanDerWaalsContact O-NE2 3.15Å; S201-Q209 PolarHBondContact O-OE1 2.88Å; S201-Q209 VanDerWaalsContact O-OE1 3.11Å
202	V	80.7	Confident	78.5	Confident	120 Å²	120	63.1 Å²	63.1	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.6	178.3	-169.1	0	0	0	0	113	R73	R73-V202 PolarHBondContact NH2-O 2.95Å
203	K	81.8	Confident	80.4	Confident	178 Å²	178	56 Å²	56	77%	0.774	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-34.4	175.9	-66.2	179.3	-179.5	175.4	0	112.7	R73 S201	R73-K203 PolarHBondContact NH2-O 3.48Å; S201-K203 PolarHBondContact O-N 3.31Å
204	V	84.6	Confident	82	Confident	47 Å²	47	51.4 Å²	51.4	29%	0.285	28%	0.28	S	S	.	.	S	Bend	trans	-95.9	152.4	-175.8	179.9	0	0	0	0	109.3	L76 S201 A208 Q209	L76-V204 HydrophobicContact CD2-CG1 3.89Å; S201-V204 PolarHBondContact O-N 3.22Å; S201-V204 VanDerWaalsContact O-N 3.08Å; V204-A208 HydrophobicContact CG1-CB 4.1Å; V204-Q209 HydrophobicContact CB-CG 3.96Å; V204-Q209 HydrophobicContact CG1-CG 3.52Å; V204-Q209 PolarHBondContact O-NE2 2.96Å; V204-Q209 VanDerWaalsContact O-NE2 3.13Å
205	P	85.8	Confident	83.6	Confident	13 Å²	13	45.6 Å²	45.6	8%	0.084	25%	0.245	C	C	.	.			trans	-61.1	145.8	173.1	-23.2	35.2	0	0	0	112.2	R73 I77 F207 A208 Q209	R73-P205 HydrophobicContact CB-CG 3.65Å; R73-P205 HydrophobicContact CG-CG 3.68Å; I77-P205 HydrophobicContact CD1-CB 3.86Å; I77-P205 HydrophobicContact CD1-CG 4.21Å; I77-P205 HydrophobicContact CG1-CB 4.03Å; I77-P205 HydrophobicContact CG1-CG 4.26Å; P205-F207 PolarHBondContact O-N 3.26Å; P205-A208 HydrophobicContact CB-CB 4.23Å; P205-A208 HydrophobicContact CG-CB 4.41Å; P205-A208 PolarHBondContact O-N 3.21Å; P205-A208 VanDerWaalsContact O-N 3.07Å; P205-Q209 WeakPolarHBondContact O-CG 2.78Å; P205-Q209 PolarHBondContact O-NE2 3.39Å
206	V	85.4	Confident	85.2	Confident	71 Å²	71	43.1 Å²	43.1	43%	0.43	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-58.3	-37.6	175.4	176.6	0	0	0	0	111.5	A208 Q209 Q253	V206-A208 PolarHBondContact O-N 3.35Å; V206-Q209 PolarHBondContact O-N 3.02Å; V206-Q253 HydrophobicContact CG1-CB 4.39Å; V206-Q253 HydrophobicContact CG1-CG 3.84Å
207	F	87.5	Confident	86.4	Confident	67 Å²	67	35.4 Å²	35.4	29%	0.294	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-78.3	1.8	179.4	-42.3	-44.1	0	0	0	114.7	P37 L40 L65 I77 P205	P37-F207 WeakPolarHBondContact CB-O 3.36Å; L40-F207 HydrophobicContact CD1-CB 3.68Å; L40-F207 HydrophobicContact CD1-CD2 4.37Å; L40-F207 HydrophobicContact CD1-CG 4.1Å; L40-F207 HydrophobicContact CD2-CD2 4.24Å; L40-F207 HydrophobicContact CD2-CG 4.38Å; L40-F207 HydrophobicContact CG-CB 4.37Å; L40-F207 HydrophobicContact CG-CG 4.38Å; L65-F207 HydrophobicContact CD2-CD2 4.45Å; I77-F207 HydrophobicContact CD1-CB 4.27Å; I77-F207 HydrophobicContact CD1-CD2 4.29Å; I77-F207 HydrophobicContact CG1-CB 4.3Å; I77-F207 HydrophobicContact CG2-CB 4.32Å; P205-F207 PolarHBondContact O-N 3.26Å
208	A	89.3	Confident	87.4	Confident	8 Å²	8	35 Å²	35	7%	0.066	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-117.9	26.8	174.7	0	0	0	0	0	111.2	L76 I77 V204 P205 V206	L76-A208 HydrophobicContact CD2-CB 4.34Å; L76-A208 HydrophobicContact CG-CB 4.08Å; I77-A208 HydrophobicContact CG1-CB 3.9Å; V204-A208 HydrophobicContact CG1-CB 4.1Å; P205-A208 HydrophobicContact CB-CB 4.23Å; P205-A208 HydrophobicContact CG-CB 4.41Å; P205-A208 PolarHBondContact O-N 3.21Å; P205-A208 VanDerWaalsContact O-N 3.07Å; V206-A208 PolarHBondContact O-N 3.35Å
209	Q	90	Very high	88.5	Confident	13 Å²	13	30.7 Å²	30.7	6%	0.061	17%	0.168	C	C	.	.	S	Bend	trans	-139.7	157.4	-177.1	-69.2	-178.9	105.9	0	0	111.8	F183 S201 V204 P205 V206	F183-Q209 WeakPolarHBondContact CZ-O 3.44Å; S201-Q209 PolarHBondContact O-NE2 3.44Å; S201-Q209 VanDerWaalsContact O-NE2 3.15Å; S201-Q209 PolarHBondContact O-OE1 2.88Å; S201-Q209 VanDerWaalsContact O-OE1 3.11Å; V204-Q209 HydrophobicContact CB-CG 3.96Å; V204-Q209 HydrophobicContact CG1-CG 3.52Å; V204-Q209 PolarHBondContact O-NE2 2.96Å; V204-Q209 VanDerWaalsContact O-NE2 3.13Å; P205-Q209 WeakPolarHBondContact O-CG 2.78Å; P205-Q209 PolarHBondContact O-NE2 3.39Å; V206-Q209 PolarHBondContact O-N 3.02Å
210	P	91.5	Very high	89.3	Confident	8 Å²	8	31.5 Å²	31.5	5%	0.052	17%	0.169	C	C	.	.			trans	-69.2	162.2	171.8	-6.3	20.8	0	0	0	111.9	C161 N162 F183 F197 L212 I215	C161-P210 WeakPolarHBondContact O-CB 3.47Å; N162-P210 HydrophobicContact CB-CB 3.87Å; N162-P210 VanDerWaalsContact OD1-CA 3.23Å; N162-P210 WeakPolarHBondContact OD1-CA 3.49Å; N162-P210 WeakPolarHBondContact OD1-CB 3.39Å; F183-P210 HydrophobicContact CD1-CG 4.24Å; F183-P210 HydrophobicContact CD2-CB 4.45Å; F183-P210 HydrophobicContact CD2-CG 4.32Å; F183-P210 HydrophobicContact CG-CG 4.14Å; F197-P210 HydrophobicContact CE2-CG 3.65Å; F197-P210 HydrophobicContact CZ-CG 4.11Å; P210-L212 PolarHBondContact O-N 3.06Å; P210-I215 HydrophobicContact CB-CD1 3.89Å; P210-I215 HydrophobicContact CB-CG1 4.12Å; P210-I215 HydrophobicContact CG-CD1 4.26Å
211	D	92.5	Very high	89.7	Confident	28 Å²	28	34.3 Å²	34.3	15%	0.15	18%	0.182	C	C	.	.			trans	-77.2	105.7	-179.2	-164.2	-16.8	0	0	0	113.3	R3 N162 N164 D213 F214 I215 Q253	R3-D211 IonicContact CZ-OD1 3.62Å; R3-D211 VanDerWaalsContact CZ-OD1 3.22Å; R3-D211 IonicContact CZ-OD2 2.94Å; R3-D211 IonicContact NH1-OD1 3.3Å; R3-D211 PolarHBondContact NH1-OD1 3.04Å; R3-D211 IonicContact NH1-OD2 3.25Å; R3-D211 PolarHBondContact NH1-OD2 2.75Å; R3-D211 IonicContact NH2-OD1 3.66Å; R3-D211 PolarHBondContact NH2-OD1 2.8Å; N162-D211 PolarHBondContact OD1-N 3.12Å; N164-D211 HydrophobicContact CB-CB 4.31Å; D211-D213 PolarHBondContact O-N 2.97Å; D211-D213 PolarHBondContact OD1-N 3.36Å; D211-D213 VanDerWaalsContact OD1-N 3.14Å; D211-F214 HydrophobicContact CB-CD2 4.14Å; D211-F214 PolarHBondContact O-N 3.27Å; D211-I215 WeakPolarHBondContact O-CG1 3.39Å; D211-I215 PolarHBondContact O-N 3.35Å; D211-Q253 PolarHBondContact OD1-NE2 3.15Å
212	L	93.9	Very high	89.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-29	179	-175.7	57.4	0	0	0	115.1	C200 P210 F214 I215 Q220 S251 P255 Y258	C200-L212 HydrophobicContact CB-CB 4.17Å; C200-L212 HydrophobicContact CB-CD1 4.1Å; C200-L212 HydrophobicContact CB-CD2 4.3Å; C200-L212 HydrophobicContact CB-CG 4.43Å; P210-L212 PolarHBondContact O-N 3.06Å; L212-F214 PolarHBondContact O-N 3Å; L212-I215 HydrophobicContact CD1-CD1 4.4Å; L212-Q220 HydrophobicContact CD1-CG 3.79Å; L212-S251 WeakPolarHBondContact CD2-OG 3.19Å; L212-P255 HydrophobicContact CD2-CG 4.15Å; L212-Y258 HydrophobicContact CD1-CD1 4.11Å; L212-Y258 HydrophobicContact CD1-CD2 3.57Å; L212-Y258 HydrophobicContact CD1-CE1 4.44Å; L212-Y258 HydrophobicContact CD1-CE2 3.94Å; L212-Y258 HydrophobicContact CD1-CG 3.66Å; L212-Y258 HydrophobicContact CD2-CG 4.41Å; L212-Y258 HydrophobicContact CG-CD2 3.72Å; L212-Y258 HydrophobicContact CG-CE2 4.44Å; L212-Y258 HydrophobicContact CG-CG 3.96Å; L212-Y258 WeakPolarHBondContact O-CD2 3.5Å; L212-Y258 WeakPolarHBondContact O-CE2 3.21Å
213	D	95.1	Very high	89.9	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.032	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.2	-179.9	-65.9	-11.9	0	0	0	113.3	R3 D211 S247 S251	R3-D213 IonicContact CZ-OD2 3.46Å; R3-D213 IonicContact NE-OD2 2.66Å; R3-D213 PolarHBondContact NE-OD2 3.3Å; R3-D213 IonicContact NH2-OD1 3.52Å; R3-D213 PolarHBondContact NH2-OD1 2.75Å; R3-D213 IonicContact NH2-OD2 2.61Å; R3-D213 PolarHBondContact NH2-OD2 2.65Å; D211-D213 PolarHBondContact O-N 2.97Å; D211-D213 PolarHBondContact OD1-N 3.36Å; D211-D213 VanDerWaalsContact OD1-N 3.14Å; D213-S247 PolarHBondContact O-OG 2.89Å; D213-S251 WeakPolarHBondContact OD1-CB 3.29Å; D213-S251 PolarHBondContact OD1-N 2.76Å; D213-S251 PolarHBondContact OD1-OG 3.27Å
214	F	95.6	Very high	89.9	Confident	10 Å²	10	31.7 Å²	31.7	4%	0.044	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-19	175.7	-62.2	-96.1	0	0	0	113.4	I163 N164 T165 D211 L212 S233 M236 V237 A240	I163-F214 WeakPolarHBondContact O-CB 3.3Å; N164-F214 HydrophobicContact CB-CB 4.22Å; N164-F214 HydrophobicContact CB-CD1 4.13Å; N164-F214 HydrophobicContact CB-CD2 3.49Å; N164-F214 VanDerWaalsContact CB-CD2 3.49Å; N164-F214 HydrophobicContact CB-CE1 4.4Å; N164-F214 HydrophobicContact CB-CE2 3.79Å; N164-F214 HydrophobicContact CB-CG 3.68Å; N164-F214 HydrophobicContact CB-CZ 4.25Å; T165-F214 HydrophobicContact CG2-CE1 4.41Å; T165-F214 HydrophobicContact CG2-CZ 4.22Å; D211-F214 HydrophobicContact CB-CD2 4.14Å; D211-F214 PolarHBondContact O-N 3.27Å; L212-F214 PolarHBondContact O-N 3Å; F214-S233 WeakPolarHBondContact O-CA 3.37Å; F214-S233 PolarHBondContact O-OG 3.07Å; F214-M236 HydrophobicContact CD1-CB 3.71Å; F214-M236 HydrophobicContact CE1-CB 4.36Å; F214-M236 HydrophobicContact CG-CB 4.49Å; F214-V237 HydrophobicContact CD1-CG2 3.78Å; F214-V237 HydrophobicContact CE1-CG2 3.75Å; F214-A240 HydrophobicContact CE1-CB 4.23Å; F214-A240 HydrophobicContact CZ-CB 4.43Å
215	I	94.2	Very high	89.8	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.155	C	C	.	.	S	Bend	trans	-55.7	141.4	176.7	-67.9	173.4	0	0	0	111.1	F197 C200 P210 D211 L212 A219 Q220 F232 Y258	F197-I215 HydrophobicContact CZ-CD1 4.33Å; F197-I215 HydrophobicContact CZ-CG2 4.42Å; C200-I215 HydrophobicContact CB-CD1 4.32Å; P210-I215 HydrophobicContact CB-CD1 3.89Å; P210-I215 HydrophobicContact CB-CG1 4.12Å; P210-I215 HydrophobicContact CG-CD1 4.26Å; D211-I215 WeakPolarHBondContact O-CG1 3.39Å; D211-I215 PolarHBondContact O-N 3.35Å; L212-I215 HydrophobicContact CD1-CD1 4.4Å; I215-A219 HydrophobicContact CG2-CB 3.81Å; I215-Q220 HydrophobicContact CG2-CB 4.03Å; I215-F232 WeakPolarHBondContact O-CE1 3.32Å; I215-Y258 PolarHBondContact O-OH 2.71Å
216	A	95.1	Very high	90	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	16%	0.162	C	C	.	.			trans	-72.8	148.3	178.7	0	0	0	0	0	114.1	E218 A219 Q220 A229 F232 Y258	A216-E218 VanDerWaalsContact C-N 3.33Å; A216-E218 WeakPolarHBondContact CB-OE1 3.47Å; A216-E218 PolarHBondContact O-N 3.38Å; A216-A219 HydrophobicContact CB-CB 4.34Å; A216-A219 WeakPolarHBondContact O-CB 3.21Å; A216-A219 PolarHBondContact O-N 2.91Å; A216-A219 VanDerWaalsContact O-N 3.1Å; A216-Q220 PolarHBondContact O-N 3.31Å; A216-A229 HydrophobicContact CB-CB 3.69Å; A216-F232 VanDerWaalsContact CA-CD1 3.47Å; A216-F232 HydrophobicContact CB-CB 3.92Å; A216-F232 HydrophobicContact CB-CD1 3.79Å; A216-F232 HydrophobicContact CB-CG 3.89Å; A216-Y258 PolarHBondContact O-OH 3.03Å
217	P	94.3	Very high	90.4	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-55.6	-43.2	-175.1	-27.5	35.1	0	0	0	114	A219 Q220 M221 F232 Y258 L262 K290	P217-A219 VanDerWaalsContact C-N 3.34Å; P217-A219 PolarHBondContact O-N 2.92Å; P217-Q220 PolarHBondContact O-N 3.01Å; P217-M221 WeakPolarHBondContact O-CB 3.32Å; P217-M221 VanDerWaalsContact O-CG 3.27Å; P217-M221 WeakPolarHBondContact O-CG 3.47Å; P217-M221 PolarHBondContact O-N 3.21Å; P217-F232 HydrophobicContact CG-CE2 4.04Å; P217-F232 HydrophobicContact CG-CZ 4.14Å; P217-Y258 WeakPolarHBondContact CA-OH 3.33Å; P217-L262 HydrophobicContact CB-CD1 4.06Å; P217-L262 HydrophobicContact CB-CD2 4.21Å; P217-L262 HydrophobicContact CG-CD2 3.83Å; P217-K290 HydrophobicContact CB-CG 4.25Å; P217-K290 HydrophobicContact CG-CG 4.33Å
218	E	92.1	Very high	90.8	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-71.1	-29.1	-178.7	70.8	-73	175	0	0	113.5	A216 Y222 N223 S224 V292 R295	A216-E218 VanDerWaalsContact C-N 3.33Å; A216-E218 WeakPolarHBondContact CB-OE1 3.47Å; A216-E218 PolarHBondContact O-N 3.38Å; E218-Y222 HydrophobicContact CB-CD2 4.02Å; E218-Y222 CarbonylContact O-C 3.59Å; E218-Y222 WeakPolarHBondContact O-CA 3.16Å; E218-Y222 WeakPolarHBondContact O-CB 3.33Å; E218-Y222 PolarHBondContact O-N 3.23Å; E218-N223 PolarHBondContact O-N 2.92Å; E218-S224 CarbonylContact C-O 3.49Å; E218-S224 PolarHBondContact O-N 2.92Å; E218-S224 VanDerWaalsContact O-N 3.11Å; E218-V292 HydrophobicContact CB-CG2 4.2Å; E218-V292 HydrophobicContact CG-CG2 3.74Å; E218-R295 VanDerWaalsContact CD-NH1 3.31Å; E218-R295 IonicContact OE1-CZ 3Å; E218-R295 IonicContact OE1-NH1 3Å; E218-R295 PolarHBondContact OE1-NH1 2.6Å; E218-R295 IonicContact OE1-NH2 3.13Å; E218-R295 IonicContact OE2-CZ 3.94Å; E218-R295 IonicContact OE2-NH1 2.66Å; E218-R295 PolarHBondContact OE2-NH1 3.32Å; E218-R295 IonicContact OE2-NH2 2.77Å; E218-R295 PolarHBondContact OE2-NH2 3.02Å
219	A	90.7	Very high	91.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-41.6	175.7	0	0	0	0	0	111.1	F197 I215 A216 P217 S224 M225	F197-A219 HydrophobicContact CE1-CB 3.82Å; F197-A219 HydrophobicContact CZ-CB 4.46Å; I215-A219 HydrophobicContact CG2-CB 3.81Å; A216-A219 HydrophobicContact CB-CB 4.34Å; A216-A219 WeakPolarHBondContact O-CB 3.21Å; A216-A219 PolarHBondContact O-N 2.91Å; A216-A219 VanDerWaalsContact O-N 3.1Å; P217-A219 VanDerWaalsContact C-N 3.34Å; P217-A219 PolarHBondContact O-N 2.92Å; A219-S224 WeakPolarHBondContact CA-O 3.36Å; A219-S224 PolarHBondContact N-O 2.86Å; A219-M225 HydrophobicContact CB-SD 3.31Å; A219-M225 WeakPolarHBondContact CB-SD 3.48Å
220	Q	91.8	Very high	91.4	Very high	25 Å²	25	27 Å²	27	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-83.7	-36	-179.8	-175.8	60	43.3	0	0	113.8	C200 L212 I215 A216 P217 Y258	C200-Q220 PolarHBondContact O-NE2 3.19Å; L212-Q220 HydrophobicContact CD1-CG 3.79Å; I215-Q220 HydrophobicContact CG2-CB 4.03Å; A216-Q220 PolarHBondContact O-N 3.31Å; P217-Q220 PolarHBondContact O-N 3.01Å; Q220-Y258 HydrophobicContact CB-CD1 4.36Å; Q220-Y258 HydrophobicContact CB-CE1 3.69Å; Q220-Y258 HydrophobicContact CG-CD1 3.82Å; Q220-Y258 HydrophobicContact CG-CE1 3.68Å
221	M	89.2	Confident	91.7	Very high	66 Å²	66	26.6 Å²	26.6	33%	0.325	14%	0.138	S	C	.	.	H	α-helix	trans	-92	-31.2	-173.5	-65.2	-174.4	69.4	0	0	113.9	P217 V259 L262	P217-M221 WeakPolarHBondContact O-CB 3.32Å; P217-M221 VanDerWaalsContact O-CG 3.27Å; P217-M221 WeakPolarHBondContact O-CG 3.47Å; P217-M221 PolarHBondContact O-N 3.21Å; M221-V259 HydrophobicContact CE-CG1 4.26Å; M221-V259 HydrophobicContact CG-CG2 4.19Å; M221-L262 HydrophobicContact CG-CD1 4.31Å; M221-L262 HydrophobicContact SD-CD1 3.46Å; M221-L262 WeakPolarHBondContact SD-CD1 3.47Å
222	Y	85.3	Confident	92	Very high	148 Å²	148	25.2 Å²	25.2	58%	0.58	13%	0.131	S	C	*	.	S	Bend	trans	-124.8	2.3	-169.1	-50.1	-52.1	0	0	0	113.5	E218 S224	E218-Y222 HydrophobicContact CB-CD2 4.02Å; E218-Y222 CarbonylContact O-C 3.59Å; E218-Y222 WeakPolarHBondContact O-CA 3.16Å; E218-Y222 WeakPolarHBondContact O-CB 3.33Å; E218-Y222 PolarHBondContact O-N 3.23Å; Y222-S224 PolarHBondContact O-N 3.12Å; Y222-S224 VanDerWaalsContact O-N 3.15Å
223	N	81.7	Confident	92.2	Very high	76 Å²	76	25.5 Å²	25.5	41%	0.406	13%	0.133	S	C	.	.			trans	49.9	30.9	-169.4	-57.3	-48.8	0	0	0	112.6	P195 T198 E218	P195-N223 WeakPolarHBondContact CG-O 3.38Å; T198-N223 WeakPolarHBondContact CA-OD1 3.42Å; T198-N223 PolarHBondContact O-OD1 2.97Å; E218-N223 PolarHBondContact O-N 2.92Å
224	S	83.2	Confident	92.3	Very high	57 Å²	57	25.3 Å²	25.3	40%	0.399	13%	0.132	S	C	.	.			trans	-99.6	122.4	-178.5	-171.8	0	0	0	0	108.9	E218 A219 Y222	E218-S224 CarbonylContact C-O 3.49Å; E218-S224 PolarHBondContact O-N 2.92Å; E218-S224 VanDerWaalsContact O-N 3.11Å; A219-S224 WeakPolarHBondContact CA-O 3.36Å; A219-S224 PolarHBondContact N-O 2.86Å; Y222-S224 PolarHBondContact O-N 3.12Å; Y222-S224 VanDerWaalsContact O-N 3.15Å
225	M	81.8	Confident	92.4	Very high	19 Å²	19	24.9 Å²	24.9	9%	0.094	13%	0.13	C	C	.	.			trans	-120.7	138.4	-178.1	-76	-63.2	-77.5	0	0	111.4	M159 C161 F197 A219 A229	M159-M225 HydrophobicContact CE-CB 3.93Å; M159-M225 HydrophobicContact SD-CB 4.11Å; C161-M225 HydrophobicContact CB-CE 4.06Å; C161-M225 VanDerWaalsContact SG-CE 3.5Å; F197-M225 HydrophobicContact CB-CG 3.91Å; F197-M225 HydrophobicContact CD1-CE 4.43Å; F197-M225 HydrophobicContact CD1-CG 3.73Å; F197-M225 HydrophobicContact CD1-SD 3.78Å; F197-M225 HydrophobicContact CD2-CE 4.21Å; F197-M225 HydrophobicContact CE1-CG 4.46Å; F197-M225 HydrophobicContact CE1-SD 3.91Å; F197-M225 HydrophobicContact CE2-CE 4.31Å; F197-M225 HydrophobicContact CG-CE 4.26Å; F197-M225 HydrophobicContact CG-CG 3.89Å; F197-M225 HydrophobicContact CG-SD 4.14Å; F197-M225 HydrophobicContact CZ-CE 4.49Å; F197-M225 HydrophobicContact CZ-SD 4.37Å; A219-M225 HydrophobicContact CB-SD 3.31Å; A219-M225 WeakPolarHBondContact CB-SD 3.48Å; M225-A229 HydrophobicContact CE-CB 4.23Å; M225-A229 HydrophobicContact SD-CB 4.06Å
226	S	89.9	Confident	92.6	Very high	34 Å²	34	24.6 Å²	24.6	24%	0.238	13%	0.129	C	C	.	.			trans	-153.1	165.8	170.5	73.3	0	0	0	0	109	M159 L228 A229	M159-S226 VanDerWaalsContact SD-CA 3.54Å; S226-L228 PolarHBondContact O-N 3.3Å; S226-L228 PolarHBondContact OG-N 2.95Å; S226-A229 WeakPolarHBondContact O-CB 3.47Å; S226-A229 PolarHBondContact O-N 2.94Å
227	P	94.2	Very high	92.7	Very high	31 Å²	31	24.6 Å²	24.6	20%	0.201	13%	0.128	C	C	.	.	H	α-helix	trans	-53.2	-16.2	171.5	-31.3	39.1	0	0	0	115.4	H153 M159 I187 A229 D230 M231	H153-P227 HydrophobicContact CB-CB 4.27Å; H153-P227 HydrophobicContact CB-CG 4.47Å; H153-P227 PolarHBondContact CE1-O 3.49Å; M159-P227 HydrophobicContact CG-CG 4.29Å; I187-P227 HydrophobicContact CD1-CG 3.46Å; I187-P227 VanDerWaalsContact CD1-CG 3.46Å; I187-P227 HydrophobicContact CG1-CG 3.92Å; P227-A229 VanDerWaalsContact C-N 3.31Å; P227-D230 PolarHBondContact O-N 2.92Å; P227-M231 WeakPolarHBondContact O-CG 3.3Å; P227-M231 PolarHBondContact O-N 2.81Å
228	L	95.8	Very high	92.8	Very high	33 Å²	33	24.5 Å²	24.5	17%	0.173	13%	0.128	C	C	.	.	H	α-helix	trans	-79.7	-11.7	176.3	-59	176.4	0	0	0	113.1	S226 M231 F232 V292 R295 P296 T297	S226-L228 PolarHBondContact O-N 3.3Å; S226-L228 PolarHBondContact OG-N 2.95Å; L228-M231 HydrophobicContact CD2-CG 4.36Å; L228-F232 PolarHBondContact O-N 3.39Å; L228-F232 VanDerWaalsContact O-N 3.12Å; L228-V292 HydrophobicContact CB-CG1 3.89Å; L228-V292 HydrophobicContact CD1-CG1 3.78Å; L228-V292 HydrophobicContact CG-CG1 4.47Å; L228-R295 HydrophobicContact CB-CB 4.35Å; L228-R295 HydrophobicContact CD2-CB 4.21Å; L228-R295 VanDerWaalsContact O-CD 3.28Å; L228-R295 WeakPolarHBondContact O-CD 3.46Å; L228-R295 PolarHBondContact O-NH1 3.05Å; L228-P296 WeakPolarHBondContact CD2-O 3.44Å; L228-T297 HydrophobicContact CD2-CG2 4.13Å
229	A	95.2	Very high	93.1	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.025	13%	0.125	C	C	.	.	H	α-helix	trans	-73.3	-38.6	167.9	0	0	0	0	0	111.1	A216 M225 S226 P227 F232 S233	A216-A229 HydrophobicContact CB-CB 3.69Å; M225-A229 HydrophobicContact CE-CB 4.23Å; M225-A229 HydrophobicContact SD-CB 4.06Å; S226-A229 WeakPolarHBondContact O-CB 3.47Å; S226-A229 PolarHBondContact O-N 2.94Å; P227-A229 VanDerWaalsContact C-N 3.31Å; A229-F232 PolarHBondContact O-N 3.45Å; A229-S233 PolarHBondContact O-N 2.88Å; A229-S233 PolarHBondContact O-OG 3.15Å
230	D	96.8	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-39.1	172.1	-73.3	-43.7	0	0	0	111.4	H153 M159 H160 C161 I163 P227 F232 S233 L234	H153-D230 IonicContact NE2-OD2 3.23Å; H153-D230 PolarHBondContact NE2-OD2 3.06Å; M159-D230 VanDerWaalsContact CA-OD2 3.26Å; M159-D230 WeakPolarHBondContact CA-OD2 3.28Å; M159-D230 WeakPolarHBondContact CB-OD2 3.35Å; H160-D230 WeakPolarHBondContact CB-OD1 3.27Å; H160-D230 PolarHBondContact N-OD1 3.12Å; H160-D230 PolarHBondContact N-OD2 2.97Å; C161-D230 PolarHBondContact N-OD1 3.01Å; I163-D230 HydrophobicContact CD1-CB 3.66Å; I163-D230 WeakPolarHBondContact CD1-O 3.47Å; P227-D230 PolarHBondContact O-N 2.92Å; D230-F232 VanDerWaalsContact C-N 3.35Å; D230-F232 PolarHBondContact O-N 3.36Å; D230-S233 WeakPolarHBondContact O-CB 3.45Å; D230-S233 PolarHBondContact O-N 3.48Å; D230-L234 PolarHBondContact O-N 3.01Å
231	M	98	Very high	93.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-35.7	174.6	-62.5	-58.5	-63.1	0	0	112.7	L149 P227 L228 G235 M287 P296 F301	L149-M231 HydrophobicContact CD1-SD 4.04Å; P227-M231 WeakPolarHBondContact O-CG 3.3Å; P227-M231 PolarHBondContact O-N 2.81Å; L228-M231 HydrophobicContact CD2-CG 4.36Å; M231-G235 PolarHBondContact O-N 3.44Å; M231-M287 HydrophobicContact CE-CE 4.1Å; M231-M287 WeakPolarHBondContact O-CE 3.45Å; M231-P296 WeakPolarHBondContact CG-O 3.42Å; M231-F301 HydrophobicContact CE-CB 3.58Å; M231-F301 HydrophobicContact CE-CD1 3.97Å; M231-F301 HydrophobicContact CE-CG 3.84Å
232	F	98	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-47.4	169	176.3	-81.2	0	0	0	111.6	I215 A216 P217 L228 A229 D230 L234 G235 M236 I265 M287 I288	I215-F232 WeakPolarHBondContact O-CE1 3.32Å; A216-F232 VanDerWaalsContact CA-CD1 3.47Å; A216-F232 HydrophobicContact CB-CB 3.92Å; A216-F232 HydrophobicContact CB-CD1 3.79Å; A216-F232 HydrophobicContact CB-CG 3.89Å; P217-F232 HydrophobicContact CG-CE2 4.04Å; P217-F232 HydrophobicContact CG-CZ 4.14Å; L228-F232 PolarHBondContact O-N 3.39Å; L228-F232 VanDerWaalsContact O-N 3.12Å; A229-F232 PolarHBondContact O-N 3.45Å; D230-F232 VanDerWaalsContact C-N 3.35Å; D230-F232 PolarHBondContact O-N 3.36Å; F232-L234 VanDerWaalsContact C-N 3.31Å; F232-L234 PolarHBondContact O-N 3.41Å; F232-G235 CarbonylContact O-C 3.44Å; F232-G235 WeakPolarHBondContact O-CA 3.39Å; F232-G235 PolarHBondContact O-N 3.25Å; F232-M236 HydrophobicContact CD1-CG 3.83Å; F232-M236 HydrophobicContact CE1-CG 3.39Å; F232-M236 HydrophobicContact CE1-SD 3.97Å; F232-M236 HydrophobicContact CE2-SD 4.5Å; F232-M236 HydrophobicContact CZ-CG 3.85Å; F232-M236 HydrophobicContact CZ-SD 3.79Å; F232-M236 WeakPolarHBondContact O-CG 3.29Å; F232-M236 PolarHBondContact O-N 3.04Å; F232-I265 HydrophobicContact CZ-CD1 4.16Å; F232-M287 WeakPolarHBondContact CA-O 3.27Å; F232-M287 WeakPolarHBondContact CD2-O 3.47Å; F232-I288 HydrophobicContact CE2-CB 4.41Å; F232-I288 WeakPolarHBondContact CE2-O 3.07Å
233	S	97.6	Very high	93.8	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.035	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-41.5	-179.8	-51.1	0	0	0	0	111.8	F214 A229 D230 M236 V237	F214-S233 WeakPolarHBondContact O-CA 3.37Å; F214-S233 PolarHBondContact O-OG 3.07Å; A229-S233 PolarHBondContact O-N 2.88Å; A229-S233 PolarHBondContact O-OG 3.15Å; D230-S233 WeakPolarHBondContact O-CB 3.45Å; D230-S233 PolarHBondContact O-N 3.48Å; S233-M236 PolarHBondContact O-N 3.07Å; S233-V237 PolarHBondContact O-N 2.98Å
234	L	98.2	Very high	94.2	Very high	3 Å²	3	19 Å²	19	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-38.7	171	179.2	59.9	0	0	0	112	I145 L149 D230 F232 M236 V237 V238 M287 F301	I145-L234 HydrophobicContact CB-CD1 4.3Å; I145-L234 HydrophobicContact CG2-CD1 3.83Å; L149-L234 HydrophobicContact CD1-CB 4.33Å; L149-L234 HydrophobicContact CD1-CD2 3.9Å; D230-L234 PolarHBondContact O-N 3.01Å; F232-L234 VanDerWaalsContact C-N 3.31Å; F232-L234 PolarHBondContact O-N 3.41Å; L234-M236 VanDerWaalsContact C-N 3.35Å; L234-M236 PolarHBondContact O-N 3.19Å; L234-V237 WeakPolarHBondContact O-CB 3.28Å; L234-V237 PolarHBondContact O-N 3.46Å; L234-V238 WeakPolarHBondContact O-CG2 3.16Å; L234-V238 PolarHBondContact O-N 3.09Å; L234-M287 HydrophobicContact CB-CE 3.95Å; L234-M287 HydrophobicContact CD2-CE 3.97Å; L234-M287 HydrophobicContact CG-CE 3.81Å; L234-F301 HydrophobicContact CD2-CE1 4.36Å
235	G	98	Very high	94.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-45.4	174.9	0	0	0	0	0	111.9	M231 F232 V237 V238 C239	M231-G235 PolarHBondContact O-N 3.44Å; F232-G235 CarbonylContact O-C 3.44Å; F232-G235 WeakPolarHBondContact O-CA 3.39Å; F232-G235 PolarHBondContact O-N 3.25Å; G235-V237 VanDerWaalsContact C-N 3.32Å; G235-V237 PolarHBondContact O-N 2.7Å; G235-V238 PolarHBondContact O-N 2.88Å; G235-V238 VanDerWaalsContact O-N 3.14Å; G235-C239 PolarHBondContact O-N 3.3Å; G235-C239 PolarHBondContact O-SG 2.89Å
236	M	97.9	Very high	94.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-35.4	175.1	-63.1	-63.7	-69.8	0	0	112.3	F214 F232 S233 L234 C239 A240 S247 L248 I249 I288	F214-M236 HydrophobicContact CD1-CB 3.71Å; F214-M236 HydrophobicContact CE1-CB 4.36Å; F214-M236 HydrophobicContact CG-CB 4.49Å; F232-M236 HydrophobicContact CD1-CG 3.83Å; F232-M236 HydrophobicContact CE1-CG 3.39Å; F232-M236 HydrophobicContact CE1-SD 3.97Å; F232-M236 HydrophobicContact CE2-SD 4.5Å; F232-M236 HydrophobicContact CZ-CG 3.85Å; F232-M236 HydrophobicContact CZ-SD 3.79Å; F232-M236 WeakPolarHBondContact O-CG 3.29Å; F232-M236 PolarHBondContact O-N 3.04Å; S233-M236 PolarHBondContact O-N 3.07Å; L234-M236 VanDerWaalsContact C-N 3.35Å; L234-M236 PolarHBondContact O-N 3.19Å; M236-C239 PolarHBondContact O-N 3.02Å; M236-A240 WeakPolarHBondContact O-CB 3.49Å; M236-A240 PolarHBondContact O-N 3.27Å; M236-S247 VanDerWaalsContact CE-OG 3.23Å; M236-S247 WeakPolarHBondContact CE-OG 3.3Å; M236-L248 HydrophobicContact CE-CB 3.95Å; M236-I249 HydrophobicContact CE-CB 4.49Å; M236-I249 HydrophobicContact CE-CD1 3.85Å; M236-I249 HydrophobicContact CE-CG1 3.93Å; M236-I288 HydrophobicContact CG-CG2 4.39Å; M236-I288 HydrophobicContact SD-CB 4.34Å; M236-I288 HydrophobicContact SD-CG2 3.94Å
237	V	97.2	Very high	95.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-43.6	170.4	167.2	0	0	0	0	112.2	L121 I163 T165 I168 F214 S233 L234 G235 C239 A240 I241	L121-V237 HydrophobicContact CD2-CG1 4.06Å; I163-V237 HydrophobicContact CG2-CG2 4.24Å; T165-V237 HydrophobicContact CG2-CG1 4.5Å; I168-V237 HydrophobicContact CD1-CG1 3.7Å; F214-V237 HydrophobicContact CD1-CG2 3.78Å; F214-V237 HydrophobicContact CE1-CG2 3.75Å; S233-V237 PolarHBondContact O-N 2.98Å; L234-V237 WeakPolarHBondContact O-CB 3.28Å; L234-V237 PolarHBondContact O-N 3.46Å; G235-V237 VanDerWaalsContact C-N 3.32Å; G235-V237 PolarHBondContact O-N 2.7Å; V237-C239 VanDerWaalsContact C-N 3.33Å; V237-C239 PolarHBondContact O-N 2.65Å; V237-A240 WeakPolarHBondContact O-CB 3.4Å; V237-A240 PolarHBondContact O-N 3.12Å; V237-A240 VanDerWaalsContact O-N 3.15Å; V237-I241 HydrophobicContact CG1-CD1 4.09Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 3.41Å
238	V	96.8	Very high	95.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62	-43.2	175.6	-179.4	0	0	0	0	110.5	I142 L234 G235 A240 I241 H242 L276 V284	I142-V238 HydrophobicContact CD1-CB 4.44Å; I142-V238 HydrophobicContact CD1-CG1 3.94Å; I142-V238 HydrophobicContact CD1-CG2 3.65Å; I142-V238 HydrophobicContact CG1-CG2 3.88Å; I142-V238 HydrophobicContact CG2-CG2 4.33Å; L234-V238 WeakPolarHBondContact O-CG2 3.16Å; L234-V238 PolarHBondContact O-N 3.09Å; G235-V238 PolarHBondContact O-N 2.88Å; G235-V238 VanDerWaalsContact O-N 3.14Å; V238-A240 VanDerWaalsContact C-N 3.32Å; V238-A240 PolarHBondContact O-N 3Å; V238-I241 PolarHBondContact O-N 3.26Å; V238-H242 PolarHBondContact O-CD2 2.94Å; V238-H242 VanDerWaalsContact O-CD2 3.31Å; V238-H242 PolarHBondContact O-N 3.2Å; V238-L276 HydrophobicContact CG1-CD2 4.41Å; V238-V284 HydrophobicContact CB-CG1 4.35Å; V238-V284 HydrophobicContact CB-CG2 4.23Å; V238-V284 HydrophobicContact CG1-CG1 4.34Å; V238-V284 HydrophobicContact CG1-CG2 3.79Å
239	C	96.9	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-42.8	172.7	-63.7	0	0	0	0	112.1	G235 M236 V237 I241 H242 N243 L248 I272	G235-C239 PolarHBondContact O-N 3.3Å; G235-C239 PolarHBondContact O-SG 2.89Å; M236-C239 PolarHBondContact O-N 3.02Å; V237-C239 VanDerWaalsContact C-N 3.33Å; V237-C239 PolarHBondContact O-N 2.65Å; C239-I241 PolarHBondContact O-N 2.77Å; C239-H242 PolarHBondContact O-N 3.33Å; C239-N243 WeakPolarHBondContact O-CB 3.46Å; C239-N243 PolarHBondContact O-N 3.38Å; C239-L248 HydrophobicContact CB-CD1 3.76Å; C239-L248 HydrophobicContact CB-CD2 4.09Å; C239-L248 HydrophobicContact CB-CG 3.73Å; C239-I272 HydrophobicContact CB-CD1 3.69Å; C239-I272 WeakPolarHBondContact O-CD1 3.47Å
240	A	94.8	Very high	95.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-39.4	178.4	0	0	0	0	0	113.3	T165 F214 M236 V237 V238 H242 N243 Q244 G245 H246	T165-A240 HydrophobicContact CG2-CB 4Å; F214-A240 HydrophobicContact CE1-CB 4.23Å; F214-A240 HydrophobicContact CZ-CB 4.43Å; M236-A240 WeakPolarHBondContact O-CB 3.49Å; M236-A240 PolarHBondContact O-N 3.27Å; V237-A240 WeakPolarHBondContact O-CB 3.4Å; V237-A240 PolarHBondContact O-N 3.12Å; V237-A240 VanDerWaalsContact O-N 3.15Å; V238-A240 VanDerWaalsContact C-N 3.32Å; V238-A240 PolarHBondContact O-N 3Å; A240-H242 VanDerWaalsContact C-N 3.29Å; A240-H242 PolarHBondContact O-N 3.11Å; A240-N243 CarbonylContact O-C 3.53Å; A240-N243 VanDerWaalsContact O-C 3.29Å; A240-N243 PolarHBondContact O-N 2.86Å; A240-Q244 PolarHBondContact O-N 3.23Å; A240-G245 WeakPolarHBondContact O-CA 3.46Å; A240-G245 PolarHBondContact O-N 3.14Å; A240-H246 VanDerWaalsContact CA-O 3.29Å; A240-H246 WeakPolarHBondContact CA-O 3.37Å
241	I	93.4	Very high	94.8	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.051	10%	0.103	C	C	.	.	H	α-helix	trans	-55.9	-43.3	176.1	-73.1	158.2	0	0	0	111.6	L121 Y125 I138 W176 V237 V238 C239 N243	L121-I241 HydrophobicContact CD2-CD1 4.04Å; L121-I241 HydrophobicContact CD2-CG1 4.02Å; Y125-I241 WeakPolarHBondContact OH-CA 3.49Å; Y125-I241 PolarHBondContact OH-O 3.24Å; Y125-I241 VanDerWaalsContact OH-O 3.1Å; I138-I241 HydrophobicContact CD1-CG2 3.95Å; I138-I241 HydrophobicContact CG1-CG2 4.18Å; I138-I241 HydrophobicContact CG2-CG2 4.15Å; W176-I241 HydrophobicContact CH2-CD1 3.62Å; W176-I241 HydrophobicContact CH2-CG1 4.37Å; W176-I241 HydrophobicContact CZ3-CD1 3.78Å; V237-I241 HydrophobicContact CG1-CD1 4.09Å; V237-I241 WeakPolarHBondContact O-CG1 3.39Å; V237-I241 PolarHBondContact O-N 3.41Å; V238-I241 PolarHBondContact O-N 3.26Å; C239-I241 PolarHBondContact O-N 2.77Å; I241-N243 VanDerWaalsContact C-N 3.34Å
242	H	92.2	Very high	94.3	Very high	22 Å²	22	24.9 Å²	24.9	10%	0.102	13%	0.128	C	C	.	.	H	α-helix	trans	-86.9	-4.1	179.2	-64.8	-80.6	0	0	0	113.7	V238 C239 A240 R275 L276	V238-H242 PolarHBondContact O-CD2 2.94Å; V238-H242 VanDerWaalsContact O-CD2 3.31Å; V238-H242 PolarHBondContact O-N 3.2Å; C239-H242 PolarHBondContact O-N 3.33Å; A240-H242 VanDerWaalsContact C-N 3.29Å; A240-H242 PolarHBondContact O-N 3.11Å; H242-R275 HydrophobicContact CB-CB 4.23Å; H242-R275 PolarHBondContact CE1-O 2.9Å; H242-R275 VanDerWaalsContact CE1-O 3.3Å; H242-R275 PolarHBondContact ND1-O 3.2Å; H242-R275 VanDerWaalsContact O-CD 3.27Å; H242-R275 WeakPolarHBondContact O-CD 3.45Å; H242-R275 PolarHBondContact O-NH1 3.44Å; H242-L276 HydrophobicContact CB-CD1 3.51Å; H242-L276 HydrophobicContact CB-CG 4.36Å
243	N	93	Very high	93.8	Very high	39 Å²	39	26.5 Å²	26.5	21%	0.209	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	35.9	176.3	-163.2	39.7	0	0	0	111.9	C239 A240 I241 G245 H246 I272	C239-N243 WeakPolarHBondContact O-CB 3.46Å; C239-N243 PolarHBondContact O-N 3.38Å; A240-N243 CarbonylContact O-C 3.53Å; A240-N243 VanDerWaalsContact O-C 3.29Å; A240-N243 PolarHBondContact O-N 2.86Å; I241-N243 VanDerWaalsContact C-N 3.34Å; N243-G245 PolarHBondContact O-N 2.95Å; N243-G245 VanDerWaalsContact O-N 3.16Å; N243-H246 WeakPolarHBondContact CB-O 3.48Å; N243-H246 PolarHBondContact ND2-O 3.39Å; N243-H246 WeakPolarHBondContact O-CB 3.36Å; N243-H246 PolarHBondContact O-N 3.2Å; N243-I272 HydrophobicContact CB-CD1 4.46Å; N243-I272 HydrophobicContact CB-CG2 4.04Å
244	Q	88.4	Confident	93.5	Very high	142 Å²	142	29.2 Å²	29.2	66%	0.664	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.6	174.7	-58.8	175	-51.8	0	0	114	Y125 A240	Y125-Q244 VanDerWaalsContact CD1-C 3.44Å; A240-Q244 PolarHBondContact O-N 3.23Å
245	G	88.9	Confident	93.1	Very high	19 Å²	19	30.1 Å²	30.1	20%	0.196	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-7.7	-178.6	0	0	0	0	0	115.1	A240 N243	A240-G245 WeakPolarHBondContact O-CA 3.46Å; A240-G245 PolarHBondContact O-N 3.14Å; N243-G245 PolarHBondContact O-N 2.95Å; N243-G245 VanDerWaalsContact O-N 3.16Å
246	H	91.4	Very high	92.8	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.375	19%	0.186	S	C	.	.			trans	-87.2	132.3	-178.9	-67.2	-99.7	0	0	0	112.5	L4 A240 N243	L4-H246 VanDerWaalsContact CD1-CE1 3.44Å; L4-H246 WeakPolarHBondContact CD1-CE1 3.39Å; A240-H246 VanDerWaalsContact CA-O 3.29Å; A240-H246 WeakPolarHBondContact CA-O 3.37Å; N243-H246 WeakPolarHBondContact CB-O 3.48Å; N243-H246 PolarHBondContact ND2-O 3.39Å; N243-H246 WeakPolarHBondContact O-CB 3.36Å; N243-H246 PolarHBondContact O-N 3.2Å
247	S	94.4	Very high	92.7	Very high	17 Å²	17	38.2 Å²	38.2	12%	0.119	20%	0.2	C	C	.	.			trans	-61.3	162.5	168.6	-177.6	0	0	0	0	111.8	D213 M236 I249	D213-S247 PolarHBondContact O-OG 2.89Å; M236-S247 VanDerWaalsContact CE-OG 3.23Å; M236-S247 WeakPolarHBondContact CE-OG 3.3Å; S247-I249 WeakPolarHBondContact CB-O 3.3Å; S247-I249 PolarHBondContact O-N 3.44Å; S247-I249 PolarHBondContact OG-N 3.08Å
248	L	95.8	Very high	92.5	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.042	20%	0.2	C	C	.	.	S	Bend	trans	-73.9	-2.3	171.6	-57.5	-177.7	0	0	0	113.2	M236 C239 I265 N268 F269 I272 I288	M236-L248 HydrophobicContact CE-CB 3.95Å; C239-L248 HydrophobicContact CB-CD1 3.76Å; C239-L248 HydrophobicContact CB-CD2 4.09Å; C239-L248 HydrophobicContact CB-CG 3.73Å; L248-I265 HydrophobicContact CD1-CG2 4.09Å; L248-N268 HydrophobicContact CB-CB 4.1Å; L248-N268 HydrophobicContact CD2-CB 4.09Å; L248-N268 PolarHBondContact O-ND2 3.06Å; L248-F269 HydrophobicContact CD1-CB 4.16Å; L248-I272 HydrophobicContact CD2-CD1 3.87Å; L248-I272 HydrophobicContact CD2-CG1 4.4Å; L248-I288 HydrophobicContact CD1-CD1 4.03Å
249	I	95.4	Very high	92.4	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.218	C	C	.	.			trans	-128	136.8	178.4	-61.9	173.6	0	0	0	106.6	M236 S247 Y258 Q261 L262 I265	M236-I249 HydrophobicContact CE-CB 4.49Å; M236-I249 HydrophobicContact CE-CD1 3.85Å; M236-I249 HydrophobicContact CE-CG1 3.93Å; S247-I249 WeakPolarHBondContact CB-O 3.3Å; S247-I249 PolarHBondContact O-N 3.44Å; S247-I249 PolarHBondContact OG-N 3.08Å; I249-Y258 HydrophobicContact CD1-CD2 4.14Å; I249-Y258 HydrophobicContact CD1-CE2 3.88Å; I249-Y258 HydrophobicContact CG2-CD2 4.06Å; I249-Q261 HydrophobicContact CG2-CB 4.41Å; I249-L262 HydrophobicContact CD1-CD2 4.29Å; I249-I265 HydrophobicContact CD1-CD1 3.97Å; I249-I265 HydrophobicContact CD1-CG1 4.21Å; I249-I265 HydrophobicContact CG1-CG1 4.22Å
250	D	93.6	Very high	92.3	Very high	59 Å²	59	48.9 Å²	48.9	32%	0.316	25%	0.252	S	S	.	.			trans	-128.8	90.6	163.2	-169.9	-6.8	0	0	0	107.5	E252 Q261	D250-E252 VanDerWaalsContact C-N 3.35Å; D250-E252 PolarHBondContact OD1-N 2.96Å; D250-Q261 VanDerWaalsContact C-OE1 3.3Å; D250-Q261 PolarHBondContact O-NE2 3.32Å; D250-Q261 PolarHBondContact O-OE1 3.17Å
251	S	91.2	Very high	92.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	26%	0.26	C	S	.	.			trans	-86.7	-6.9	-177.6	69.9	0	0	0	0	113.2	L212 D213 Q253 N254	L212-S251 WeakPolarHBondContact CD2-OG 3.19Å; D213-S251 WeakPolarHBondContact OD1-CB 3.29Å; D213-S251 PolarHBondContact OD1-N 2.76Å; D213-S251 PolarHBondContact OD1-OG 3.27Å; S251-Q253 PolarHBondContact O-N 3.02Å; S251-Q253 VanDerWaalsContact O-N 3.15Å; S251-Q253 PolarHBondContact OG-N 3.07Å; S251-N254 VanDerWaalsContact O-CB 3.23Å; S251-N254 WeakPolarHBondContact O-CB 3.48Å; S251-N254 PolarHBondContact O-N 3.42Å
252	E	87.9	Confident	92.4	Very high	112 Å²	112	50.6 Å²	50.6	52%	0.523	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	36.3	-165.9	-58.9	-164	-167.1	0	0	113.5	M1 D250 N254	M1-E252 PolarHBondContact N-OE1 2.98Å; M1-E252 PolarHBondContact N-OE2 3.43Å; D250-E252 VanDerWaalsContact C-N 3.35Å; D250-E252 PolarHBondContact OD1-N 2.96Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 3.13Å
253	Q	86.5	Confident	92.5	Very high	33 Å²	33	53.7 Å²	53.7	15%	0.154	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	26.4	-174.5	-60.9	-72.4	-6.5	0	0	114.6	V206 D211 S251	V206-Q253 HydrophobicContact CG1-CB 4.39Å; V206-Q253 HydrophobicContact CG1-CG 3.84Å; D211-Q253 PolarHBondContact OD1-NE2 3.15Å; S251-Q253 PolarHBondContact O-N 3.02Å; S251-Q253 VanDerWaalsContact O-N 3.15Å; S251-Q253 PolarHBondContact OG-N 3.07Å
254	N	90.9	Very high	92.6	Very high	63 Å²	63	56.2 Å²	56.2	34%	0.337	29%	0.292	S	S	.	.			trans	-107.6	110.3	178.1	-172.7	-17.6	0	0	0	111.7	S251 E252 N256 V257 Y258	S251-N254 VanDerWaalsContact O-CB 3.23Å; S251-N254 WeakPolarHBondContact O-CB 3.48Å; S251-N254 PolarHBondContact O-N 3.42Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 3.13Å; N254-N256 PolarHBondContact O-N 3.09Å; N254-N256 VanDerWaalsContact O-N 3.07Å; N254-N256 WeakPolarHBondContact OD1-CB 3.4Å; N254-N256 PolarHBondContact OD1-N 3.17Å; N254-V257 HydrophobicContact CB-CB 4.22Å; N254-V257 HydrophobicContact CB-CG2 3.88Å; N254-V257 PolarHBondContact O-N 3.39Å; N254-Y258 PolarHBondContact O-N 3.41Å
255	P	90.9	Very high	92.9	Very high	21 Å²	21	49.8 Å²	49.8	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-52.9	-31.5	177.9	-31	37.3	0	0	0	114.9	C200 L212 V257 V259	C200-P255 WeakPolarHBondContact O-CG 3.48Å; L212-P255 HydrophobicContact CD2-CG 4.15Å; P255-V257 VanDerWaalsContact C-N 3.32Å; P255-V257 PolarHBondContact O-N 3.08Å; P255-V259 WeakPolarHBondContact O-CG2 3.47Å; P255-V259 PolarHBondContact O-N 2.86Å; P255-V259 VanDerWaalsContact O-N 3.08Å
256	N	92	Very high	93.2	Very high	121 Å²	121	52.4 Å²	52.4	65%	0.647	28%	0.276	S	S	*	.	H	α-helix	trans	-75.5	-19.4	179.1	-63.4	-39.3	0	0	0	113.5	N254 K260	N254-N256 PolarHBondContact O-N 3.09Å; N254-N256 VanDerWaalsContact O-N 3.07Å; N254-N256 WeakPolarHBondContact OD1-CB 3.4Å; N254-N256 PolarHBondContact OD1-N 3.17Å; N256-K260 WeakPolarHBondContact O-CD 3.46Å; N256-K260 WeakPolarHBondContact O-CG 3.42Å
257	V	94.3	Very high	93.4	Very high	49 Å²	49	53.5 Å²	53.5	30%	0.297	28%	0.284	S	S	.	.	H	α-helix	trans	-87.7	-46	172.6	-178.6	0	0	0	0	109.5	N254 P255 V259 K260 Q261	N254-V257 HydrophobicContact CB-CB 4.22Å; N254-V257 HydrophobicContact CB-CG2 3.88Å; N254-V257 PolarHBondContact O-N 3.39Å; P255-V257 VanDerWaalsContact C-N 3.32Å; P255-V257 PolarHBondContact O-N 3.08Å; V257-V259 PolarHBondContact O-N 3.21Å; V257-K260 WeakPolarHBondContact O-CB 3.43Å; V257-K260 PolarHBondContact O-N 3.13Å; V257-Q261 HydrophobicContact CG1-CG 4.48Å; V257-Q261 PolarHBondContact O-N 3.19Å
258	Y	94.5	Very high	93.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-49	-54.2	174	174	-90.1	0	0	0	112.1	L212 I215 A216 P217 Q220 I249 N254 K260 Q261 L262	L212-Y258 HydrophobicContact CD1-CD1 4.11Å; L212-Y258 HydrophobicContact CD1-CD2 3.57Å; L212-Y258 HydrophobicContact CD1-CE1 4.44Å; L212-Y258 HydrophobicContact CD1-CE2 3.94Å; L212-Y258 HydrophobicContact CD1-CG 3.66Å; L212-Y258 HydrophobicContact CD2-CG 4.41Å; L212-Y258 HydrophobicContact CG-CD2 3.72Å; L212-Y258 HydrophobicContact CG-CE2 4.44Å; L212-Y258 HydrophobicContact CG-CG 3.96Å; L212-Y258 WeakPolarHBondContact O-CD2 3.5Å; L212-Y258 WeakPolarHBondContact O-CE2 3.21Å; I215-Y258 PolarHBondContact O-OH 2.71Å; A216-Y258 PolarHBondContact O-OH 3.03Å; P217-Y258 WeakPolarHBondContact CA-OH 3.33Å; Q220-Y258 HydrophobicContact CB-CD1 4.36Å; Q220-Y258 HydrophobicContact CB-CE1 3.69Å; Q220-Y258 HydrophobicContact CG-CD1 3.82Å; Q220-Y258 HydrophobicContact CG-CE1 3.68Å; I249-Y258 HydrophobicContact CD1-CD2 4.14Å; I249-Y258 HydrophobicContact CD1-CE2 3.88Å; I249-Y258 HydrophobicContact CG2-CD2 4.06Å; N254-Y258 PolarHBondContact O-N 3.41Å; Y258-K260 PolarHBondContact O-N 2.71Å; Y258-K260 VanDerWaalsContact O-N 3.14Å; Y258-Q261 PolarHBondContact O-N 2.87Å; Y258-L262 HydrophobicContact CD1-CD1 4.27Å; Y258-L262 HydrophobicContact CD1-CD2 4.41Å; Y258-L262 HydrophobicContact CD1-CG 4.19Å; Y258-L262 HydrophobicContact CE1-CD1 3.8Å; Y258-L262 HydrophobicContact CE1-CD2 3.77Å; Y258-L262 HydrophobicContact CE1-CG 3.89Å; Y258-L262 HydrophobicContact CE2-CD2 4.21Å; Y258-L262 WeakPolarHBondContact O-CG 3.38Å; Y258-L262 PolarHBondContact O-N 3.04Å
259	V	93.6	Very high	93.5	Very high	64 Å²	64	53.6 Å²	53.6	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-26.8	-178.9	172.5	0	0	0	0	112.8	M221 P255 V257	M221-V259 HydrophobicContact CE-CG1 4.26Å; M221-V259 HydrophobicContact CG-CG2 4.19Å; P255-V259 WeakPolarHBondContact O-CG2 3.47Å; P255-V259 PolarHBondContact O-N 2.86Å; P255-V259 VanDerWaalsContact O-N 3.08Å; V257-V259 PolarHBondContact O-N 3.21Å
260	K	95.2	Very high	93.5	Very high	162 Å²	162	57.5 Å²	57.5	70%	0.704	30%	0.302	S	S	*	.	H	α-helix	trans	-79.2	-31.9	175.4	-69.7	178	-179.4	-174.6	0	113.4	N256 V257 Y258 P263	N256-K260 WeakPolarHBondContact O-CD 3.46Å; N256-K260 WeakPolarHBondContact O-CG 3.42Å; V257-K260 WeakPolarHBondContact O-CB 3.43Å; V257-K260 PolarHBondContact O-N 3.13Å; Y258-K260 PolarHBondContact O-N 2.71Å; Y258-K260 VanDerWaalsContact O-N 3.14Å; K260-P263 WeakPolarHBondContact O-CD 3.37Å
261	Q	95.6	Very high	93.6	Very high	39 Å²	39	63.2 Å²	63.2	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-83.5	-19.4	177.9	-71.7	174.2	-1.9	0	0	113	I249 D250 V257 Y258 P263 E264	I249-Q261 HydrophobicContact CG2-CB 4.41Å; D250-Q261 VanDerWaalsContact C-OE1 3.3Å; D250-Q261 PolarHBondContact O-NE2 3.32Å; D250-Q261 PolarHBondContact O-OE1 3.17Å; V257-Q261 HydrophobicContact CG1-CG 4.48Å; V257-Q261 PolarHBondContact O-N 3.19Å; Y258-Q261 PolarHBondContact O-N 2.87Å; Q261-P263 VanDerWaalsContact C-N 3.33Å; Q261-E264 WeakPolarHBondContact O-CA 3.31Å; Q261-E264 WeakPolarHBondContact O-CB 3.28Å; Q261-E264 PolarHBondContact O-N 3.09Å
262	L	94.4	Very high	93.7	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.031	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-48.3	-39.6	176.8	-77.9	-175.4	0	0	0	115.8	P217 M221 I249 Y258 E264 I265	P217-L262 HydrophobicContact CB-CD1 4.06Å; P217-L262 HydrophobicContact CB-CD2 4.21Å; P217-L262 HydrophobicContact CG-CD2 3.83Å; M221-L262 HydrophobicContact CG-CD1 4.31Å; M221-L262 HydrophobicContact SD-CD1 3.46Å; M221-L262 WeakPolarHBondContact SD-CD1 3.47Å; I249-L262 HydrophobicContact CD1-CD2 4.29Å; Y258-L262 HydrophobicContact CD1-CD1 4.27Å; Y258-L262 HydrophobicContact CD1-CD2 4.41Å; Y258-L262 HydrophobicContact CD1-CG 4.19Å; Y258-L262 HydrophobicContact CE1-CD1 3.8Å; Y258-L262 HydrophobicContact CE1-CD2 3.77Å; Y258-L262 HydrophobicContact CE1-CG 3.89Å; Y258-L262 HydrophobicContact CE2-CD2 4.21Å; Y258-L262 WeakPolarHBondContact O-CG 3.38Å; Y258-L262 PolarHBondContact O-N 3.04Å; L262-E264 VanDerWaalsContact C-N 3.25Å; L262-E264 PolarHBondContact O-N 3.12Å; L262-I265 HydrophobicContact CD2-CD1 3.82Å; L262-I265 WeakPolarHBondContact O-CG1 3.35Å
263	P	94.8	Very high	93.9	Very high	88 Å²	88	59 Å²	59	57%	0.571	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-72.5	-15.2	176.4	-16.5	33	0	0	0	114	K260 Q261 P266	K260-P263 WeakPolarHBondContact O-CD 3.37Å; Q261-P263 VanDerWaalsContact C-N 3.33Å; P263-P266 WeakPolarHBondContact O-CD 3.45Å
264	E	94.5	Very high	94.2	Very high	92 Å²	92	66.5 Å²	66.5	43%	0.43	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-88.2	-14.4	-176.5	-54.4	-175	162.8	0	0	112.9	Q261 L262 P266 N267 N268	Q261-E264 WeakPolarHBondContact O-CA 3.31Å; Q261-E264 WeakPolarHBondContact O-CB 3.28Å; Q261-E264 PolarHBondContact O-N 3.09Å; L262-E264 VanDerWaalsContact C-N 3.25Å; L262-E264 PolarHBondContact O-N 3.12Å; E264-P266 VanDerWaalsContact C-CD 3.46Å; E264-P266 VanDerWaalsContact C-N 3.35Å; E264-N267 WeakPolarHBondContact O-CB 3.1Å; E264-N267 PolarHBondContact O-N 3.4Å; E264-N268 PolarHBondContact O-N 2.64Å
265	I	95.7	Very high	94.3	Very high	7 Å²	7	69.9 Å²	69.9	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-48.6	-46.4	-178.9	-59.7	170.6	0	0	0	112.7	F232 L248 I249 L262 N267 N268 F269 I288	F232-I265 HydrophobicContact CZ-CD1 4.16Å; L248-I265 HydrophobicContact CD1-CG2 4.09Å; I249-I265 HydrophobicContact CD1-CD1 3.97Å; I249-I265 HydrophobicContact CD1-CG1 4.21Å; I249-I265 HydrophobicContact CG1-CG1 4.22Å; L262-I265 HydrophobicContact CD2-CD1 3.82Å; L262-I265 WeakPolarHBondContact O-CG1 3.35Å; I265-N267 PolarHBondContact O-N 2.87Å; I265-N268 PolarHBondContact O-N 3.13Å; I265-F269 WeakPolarHBondContact O-CB 3.5Å; I265-F269 PolarHBondContact O-N 3.35Å; I265-I288 HydrophobicContact CG2-CB 4.31Å; I265-I288 HydrophobicContact CG2-CD1 4.01Å; I265-I288 HydrophobicContact CG2-CG1 4.3Å
266	P	95.1	Very high	94.3	Very high	74 Å²	74	69.3 Å²	69.3	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-42.3	178.4	-20.6	34.2	0	0	0	112.3	P263 E264 N268 F269 E270	P263-P266 WeakPolarHBondContact O-CD 3.45Å; E264-P266 VanDerWaalsContact C-CD 3.46Å; E264-P266 VanDerWaalsContact C-N 3.35Å; P266-N268 VanDerWaalsContact C-N 3.31Å; P266-N268 PolarHBondContact O-N 3.27Å; P266-F269 WeakPolarHBondContact O-CB 3.47Å; P266-F269 PolarHBondContact O-N 3.01Å; P266-E270 PolarHBondContact O-N 2.96Å
267	N	95.2	Very high	94.3	Very high	103 Å²	103	63.9 Å²	63.9	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-66.7	-34.4	178.7	-61.2	-26.5	0	0	0	111.6	E264 I265 R271	E264-N267 WeakPolarHBondContact O-CB 3.1Å; E264-N267 PolarHBondContact O-N 3.4Å; I265-N267 PolarHBondContact O-N 2.87Å; N267-R271 WeakPolarHBondContact O-CG 3.46Å
268	N	95.8	Very high	94.1	Very high	27 Å²	27	72.5 Å²	72.5	14%	0.144	34%	0.339	C	S	.	.	H	α-helix	trans	-74.4	-31.2	175.4	-67.3	-14.6	0	0	0	111.4	L248 E264 I265 P266 R271	L248-N268 HydrophobicContact CB-CB 4.1Å; L248-N268 HydrophobicContact CD2-CB 4.09Å; L248-N268 PolarHBondContact O-ND2 3.06Å; E264-N268 PolarHBondContact O-N 2.64Å; I265-N268 PolarHBondContact O-N 3.13Å; P266-N268 VanDerWaalsContact C-N 3.31Å; P266-N268 PolarHBondContact O-N 3.27Å; N268-R271 PolarHBondContact O-N 3.42Å; N268-R271 PolarHBondContact OD1-NH1 3.05Å
269	F	96.6	Very high	94	Very high	1 Å²	1	75.7 Å²	75.7	0%	0.004	36%	0.359	C	S	.	.	H	α-helix	trans	-67.1	-43.5	173.3	-177.4	-104.3	0	0	0	112.5	L248 I265 P266 R271 I272 C273 L276 V284 R285 I288	L248-F269 HydrophobicContact CD1-CB 4.16Å; I265-F269 WeakPolarHBondContact O-CB 3.5Å; I265-F269 PolarHBondContact O-N 3.35Å; P266-F269 WeakPolarHBondContact O-CB 3.47Å; P266-F269 PolarHBondContact O-N 3.01Å; F269-R271 PolarHBondContact O-N 3.16Å; F269-I272 HydrophobicContact CD2-CG1 4.46Å; F269-I272 WeakPolarHBondContact O-CG1 3.33Å; F269-I272 PolarHBondContact O-N 2.93Å; F269-C273 HydrophobicContact CD1-CB 4.37Å; F269-C273 HydrophobicContact CE1-CB 4.1Å; F269-C273 HydrophobicContact CZ-CB 4.49Å; F269-C273 PolarHBondContact O-N 3.42Å; F269-L276 HydrophobicContact CE2-CD2 3.92Å; F269-L276 HydrophobicContact CZ-CD2 4.22Å; F269-V284 HydrophobicContact CE2-CB 4.45Å; F269-V284 HydrophobicContact CE2-CG1 3.87Å; F269-R285 HydrophobicContact CE1-CB 3.94Å; F269-R285 HydrophobicContact CE1-CG 4.4Å; F269-R285 HydrophobicContact CZ-CB 4.14Å; F269-I288 HydrophobicContact CB-CD1 3.82Å; F269-I288 HydrophobicContact CD2-CD1 3.4Å; F269-I288 VanDerWaalsContact CD2-CD1 3.4Å; F269-I288 HydrophobicContact CE2-CD1 4.06Å; F269-I288 HydrophobicContact CG-CD1 3.67Å
270	E	95.6	Very high	94	Very high	86 Å²	86	72.7 Å²	72.7	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-22.6	177.8	-59.7	-49.6	156.7	0	0	113.3	P266 I272 C273 R285	P266-E270 PolarHBondContact O-N 2.96Å; E270-I272 PolarHBondContact O-N 3.09Å; E270-C273 PolarHBondContact O-SG 3.08Å; E270-C273 VanDerWaalsContact O-SG 3.34Å; E270-C273 PolarHBondContact OE2-SG 2.67Å; E270-R285 IonicContact OE1-CZ 2.7Å; E270-R285 IonicContact OE1-NH1 2.69Å; E270-R285 PolarHBondContact OE1-NH1 3.27Å; E270-R285 IonicContact OE1-NH2 2.66Å; E270-R285 PolarHBondContact OE1-NH2 3.07Å; E270-R285 IonicContact OE2-NH2 2.69Å; E270-R285 PolarHBondContact OE2-NH2 3.47Å
271	R	94.4	Very high	94.1	Very high	178 Å²	178	67 Å²	67	67%	0.672	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.9	173.6	-66.1	172.6	-174.3	156.1	4	113.9	N267 N268 F269	N267-R271 WeakPolarHBondContact O-CG 3.46Å; N268-R271 PolarHBondContact O-N 3.42Å; N268-R271 PolarHBondContact OD1-NH1 3.05Å; F269-R271 PolarHBondContact O-N 3.16Å
272	I	94.2	Very high	94	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-10.5	-179.2	66.1	160.3	0	0	0	113.7	C239 N243 L248 F269 E270 E274 R275 L276	C239-I272 HydrophobicContact CB-CD1 3.69Å; C239-I272 WeakPolarHBondContact O-CD1 3.47Å; N243-I272 HydrophobicContact CB-CD1 4.46Å; N243-I272 HydrophobicContact CB-CG2 4.04Å; L248-I272 HydrophobicContact CD2-CD1 3.87Å; L248-I272 HydrophobicContact CD2-CG1 4.4Å; F269-I272 HydrophobicContact CD2-CG1 4.46Å; F269-I272 WeakPolarHBondContact O-CG1 3.33Å; F269-I272 PolarHBondContact O-N 2.93Å; E270-I272 PolarHBondContact O-N 3.09Å; I272-E274 VanDerWaalsContact C-N 3.28Å; I272-E274 PolarHBondContact O-N 3.29Å; I272-R275 WeakPolarHBondContact O-CB 3.49Å; I272-R275 PolarHBondContact O-N 3.46Å; I272-L276 HydrophobicContact CD1-CD1 4.08Å; I272-L276 HydrophobicContact CG1-CD1 4.23Å; I272-L276 VanDerWaalsContact O-CD1 3.31Å; I272-L276 WeakPolarHBondContact O-CD1 3.45Å
273	C	92.7	Very high	94.1	Very high	23 Å²	23	70.6 Å²	70.6	16%	0.155	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.7	-37.5	-171.8	68.7	0	0	0	0	112.4	F269 E270 R275 L276 L281	F269-C273 HydrophobicContact CD1-CB 4.37Å; F269-C273 HydrophobicContact CE1-CB 4.1Å; F269-C273 HydrophobicContact CZ-CB 4.49Å; F269-C273 PolarHBondContact O-N 3.42Å; E270-C273 PolarHBondContact O-SG 3.08Å; E270-C273 VanDerWaalsContact O-SG 3.34Å; E270-C273 PolarHBondContact OE2-SG 2.67Å; C273-R275 PolarHBondContact O-N 3.02Å; C273-L276 PolarHBondContact O-N 3.04Å; C273-L276 VanDerWaalsContact O-N 3.07Å; C273-L281 HydrophobicContact CB-CD2 4.15Å; C273-L281 WeakPolarHBondContact O-CD2 3.22Å
274	E	92.7	Very high	94.3	Very high	190 Å²	190	66.4 Å²	66.4	89%	0.888	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-58.5	-20.6	175.3	-59.4	-170.5	146	0	0	114.5	I272	I272-E274 VanDerWaalsContact C-N 3.28Å; I272-E274 PolarHBondContact O-N 3.29Å
275	R	92.2	Very high	94.4	Very high	134 Å²	134	65.8 Å²	65.8	51%	0.506	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-92.6	-12.4	-179.3	-52.9	176.1	-172.1	163.6	3	113.5	H242 I272 C273	H242-R275 HydrophobicContact CB-CB 4.23Å; H242-R275 PolarHBondContact CE1-O 2.9Å; H242-R275 VanDerWaalsContact CE1-O 3.3Å; H242-R275 PolarHBondContact ND1-O 3.2Å; H242-R275 VanDerWaalsContact O-CD 3.27Å; H242-R275 WeakPolarHBondContact O-CD 3.45Å; H242-R275 PolarHBondContact O-NH1 3.44Å; I272-R275 WeakPolarHBondContact O-CB 3.49Å; I272-R275 PolarHBondContact O-N 3.46Å; C273-R275 PolarHBondContact O-N 3.02Å
276	L	92	Very high	94.5	Very high	9 Å²	9	70.1 Å²	70.1	5%	0.047	32%	0.321	C	S	.	.	S	Bend	trans	-84.1	147.7	-179.9	-88.2	74.5	0	0	0	110.6	V238 H242 F269 I272 C273 R278 L281 V284	V238-L276 HydrophobicContact CG1-CD2 4.41Å; H242-L276 HydrophobicContact CB-CD1 3.51Å; H242-L276 HydrophobicContact CB-CG 4.36Å; F269-L276 HydrophobicContact CE2-CD2 3.92Å; F269-L276 HydrophobicContact CZ-CD2 4.22Å; I272-L276 HydrophobicContact CD1-CD1 4.08Å; I272-L276 HydrophobicContact CG1-CD1 4.23Å; I272-L276 VanDerWaalsContact O-CD1 3.31Å; I272-L276 WeakPolarHBondContact O-CD1 3.45Å; C273-L276 PolarHBondContact O-N 3.04Å; C273-L276 VanDerWaalsContact O-N 3.07Å; L276-R278 PolarHBondContact O-N 3.17Å; L276-L281 HydrophobicContact CB-CD2 3.66Å; L276-L281 HydrophobicContact CD2-CD2 4.5Å; L276-V284 HydrophobicContact CD2-CB 4.24Å; L276-V284 HydrophobicContact CD2-CG1 4.16Å; L276-V284 HydrophobicContact CD2-CG2 4.38Å
277	P	90.7	Very high	94.6	Very high	8 Å²	8	66.6 Å²	66.6	5%	0.052	30%	0.298	C	S	.	.			trans	-50.3	128.6	165.6	-31.2	39.1	0	0	0	111.2	E135 T279 L280 L281	E135-P277 HydrophobicContact CG-CB 4.49Å; E135-P277 HydrophobicContact CG-CG 3.92Å; E135-P277 WeakPolarHBondContact OE1-CB 3.15Å; P277-T279 PolarHBondContact O-N 3.2Å; P277-L280 HydrophobicContact CB-CB 4.35Å; P277-L280 HydrophobicContact CB-CD1 4.1Å; P277-L280 HydrophobicContact CB-CG 4.16Å; P277-L280 HydrophobicContact CG-CD1 4.02Å; P277-L280 PolarHBondContact O-N 3.14Å; P277-L281 PolarHBondContact O-N 2.95Å
278	R	91.5	Very high	94.7	Very high	229 Å²	229	62.1 Å²	62.1	86%	0.864	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26	-176.6	-66.9	-174.1	178.9	-160.3	-1.7	113.4	L276 L280 L281	L276-R278 PolarHBondContact O-N 3.17Å; R278-L280 VanDerWaalsContact C-N 3.35Å; R278-L281 HydrophobicContact CB-CD1 4.41Å; R278-L281 HydrophobicContact CG-CD1 4.49Å
279	T	91.7	Very high	94.7	Very high	68 Å²	68	61.8 Å²	61.8	42%	0.417	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.5	176.4	50.4	0	0	0	0	114.3	P277 V306	P277-T279 PolarHBondContact O-N 3.2Å; T279-V306 HydrophobicContact CG2-CB 4.45Å; T279-V306 HydrophobicContact CG2-CG2 4.47Å; T279-V306 WeakPolarHBondContact OG1-CG2 3.45Å
280	L	94.6	Very high	94.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-15.4	-179.1	-66.8	179.9	0	0	0	113.7	I139 I142 P277 R278 E282 P283 V284 L304 V306 F307	I139-L280 HydrophobicContact CG1-CD1 4.44Å; I142-L280 HydrophobicContact CD1-CD1 3.85Å; P277-L280 HydrophobicContact CB-CB 4.35Å; P277-L280 HydrophobicContact CB-CD1 4.1Å; P277-L280 HydrophobicContact CB-CG 4.16Å; P277-L280 HydrophobicContact CG-CD1 4.02Å; P277-L280 PolarHBondContact O-N 3.14Å; R278-L280 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.37Å; L280-P283 WeakPolarHBondContact O-CD 3.44Å; L280-V284 HydrophobicContact CB-CG2 4.17Å; L280-V284 WeakPolarHBondContact O-CB 3.5Å; L280-V284 WeakPolarHBondContact O-CG2 3.35Å; L280-V284 PolarHBondContact O-N 2.92Å; L280-L304 HydrophobicContact CD2-CD1 4.16Å; L280-V306 HydrophobicContact CD2-CG1 3.89Å; L280-F307 HydrophobicContact CD2-CE1 4.44Å; L280-F307 HydrophobicContact CD2-CZ 4.16Å
281	L	95.3	Very high	94.5	Very high	44 Å²	44	65.5 Å²	65.5	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-48.7	-65.6	-177.1	-65.8	174.2	0	0	0	113.4	C273 L276 P277 R278 V284 R285	C273-L281 HydrophobicContact CB-CD2 4.15Å; C273-L281 WeakPolarHBondContact O-CD2 3.22Å; L276-L281 HydrophobicContact CB-CD2 3.66Å; L276-L281 HydrophobicContact CD2-CD2 4.5Å; P277-L281 PolarHBondContact O-N 2.95Å; R278-L281 HydrophobicContact CB-CD1 4.41Å; R278-L281 HydrophobicContact CG-CD1 4.49Å; L281-V284 PolarHBondContact O-N 2.92Å; L281-R285 VanDerWaalsContact O-CB 3.25Å; L281-R285 WeakPolarHBondContact O-CB 3.34Å; L281-R285 PolarHBondContact O-N 2.96Å
282	E	95.5	Very high	94.4	Very high	95 Å²	95	58.9 Å²	58.9	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-39	-177.1	-73	-57.9	112.3	0	0	114	L280 R285 K286	L280-E282 PolarHBondContact O-N 3.37Å; E282-R285 VanDerWaalsContact OE1-CD 3.29Å; E282-R285 WeakPolarHBondContact OE1-CD 3.49Å; E282-R285 IonicContact OE1-CZ 3.07Å; E282-R285 IonicContact OE1-NE 3.4Å; E282-R285 PolarHBondContact OE1-NE 3.28Å; E282-K286 WeakPolarHBondContact O-CB 3.49Å; E282-K286 WeakPolarHBondContact O-CG 3.49Å; E282-K286 PolarHBondContact O-N 3.12Å; E282-K286 VanDerWaalsContact O-N 3.12Å
283	P	96.5	Very high	94.4	Very high	24 Å²	24	69 Å²	69	16%	0.156	31%	0.309	C	S	.	.	H	α-helix	trans	-58.5	-45	170.2	-28.3	35.9	0	0	0	114.2	L280 K286 M287 F301 L304	L280-P283 WeakPolarHBondContact O-CD 3.44Å; P283-K286 PolarHBondContact O-N 2.87Å; P283-M287 VanDerWaalsContact O-CG 3.3Å; P283-M287 WeakPolarHBondContact O-CG 3.29Å; P283-M287 PolarHBondContact O-N 3.33Å; P283-F301 HydrophobicContact CB-CD2 4.17Å; P283-F301 HydrophobicContact CB-CE2 3.7Å; P283-L304 HydrophobicContact CB-CD1 3.73Å; P283-L304 HydrophobicContact CB-CD2 4.24Å; P283-L304 HydrophobicContact CG-CD1 3.76Å; P283-L304 HydrophobicContact CG-CD2 3.62Å; P283-L304 HydrophobicContact CG-CG 4.37Å
284	V	97.3	Very high	94.6	Very high	0 Å²	0	73 Å²	73	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72.1	-42.8	-178.9	176	0	0	0	0	110.9	V238 F269 L276 L280 L281 K286 M287 I288	V238-V284 HydrophobicContact CB-CG1 4.35Å; V238-V284 HydrophobicContact CB-CG2 4.23Å; V238-V284 HydrophobicContact CG1-CG1 4.34Å; V238-V284 HydrophobicContact CG1-CG2 3.79Å; F269-V284 HydrophobicContact CE2-CB 4.45Å; F269-V284 HydrophobicContact CE2-CG1 3.87Å; L276-V284 HydrophobicContact CD2-CB 4.24Å; L276-V284 HydrophobicContact CD2-CG1 4.16Å; L276-V284 HydrophobicContact CD2-CG2 4.38Å; L280-V284 HydrophobicContact CB-CG2 4.17Å; L280-V284 WeakPolarHBondContact O-CB 3.5Å; L280-V284 WeakPolarHBondContact O-CG2 3.35Å; L280-V284 PolarHBondContact O-N 2.92Å; L281-V284 PolarHBondContact O-N 2.92Å; V284-K286 PolarHBondContact O-N 3.06Å; V284-M287 WeakPolarHBondContact O-CB 3.25Å; V284-M287 PolarHBondContact O-N 3.47Å; V284-I288 WeakPolarHBondContact O-CG1 2.83Å; V284-I288 PolarHBondContact O-N 3.28Å
285	R	97.2	Very high	94.8	Very high	80 Å²	80	64.4 Å²	64.4	30%	0.302	29%	0.285	S	S	.	.	H	α-helix	trans	-49.3	-44.2	171.3	179.4	-173.5	-65.1	-71	2.3	111.3	F269 E270 L281 E282 I288 S289	F269-R285 HydrophobicContact CE1-CB 3.94Å; F269-R285 HydrophobicContact CE1-CG 4.4Å; F269-R285 HydrophobicContact CZ-CB 4.14Å; E270-R285 IonicContact OE1-CZ 2.7Å; E270-R285 IonicContact OE1-NH1 2.69Å; E270-R285 PolarHBondContact OE1-NH1 3.27Å; E270-R285 IonicContact OE1-NH2 2.66Å; E270-R285 PolarHBondContact OE1-NH2 3.07Å; E270-R285 IonicContact OE2-NH2 2.69Å; E270-R285 PolarHBondContact OE2-NH2 3.47Å; L281-R285 VanDerWaalsContact O-CB 3.25Å; L281-R285 WeakPolarHBondContact O-CB 3.34Å; L281-R285 PolarHBondContact O-N 2.96Å; E282-R285 VanDerWaalsContact OE1-CD 3.29Å; E282-R285 WeakPolarHBondContact OE1-CD 3.49Å; E282-R285 IonicContact OE1-CZ 3.07Å; E282-R285 IonicContact OE1-NE 3.4Å; E282-R285 PolarHBondContact OE1-NE 3.28Å; R285-I288 WeakPolarHBondContact O-CG1 3.47Å; R285-S289 PolarHBondContact O-N 3.17Å
286	K	97.4	Very high	95	Very high	97 Å²	97	58.9 Å²	58.9	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-71.3	-39.8	177	-74	176.7	-175.7	-177.8	0	113.1	E282 P283 V284 I288 S289 R295	E282-K286 WeakPolarHBondContact O-CB 3.49Å; E282-K286 WeakPolarHBondContact O-CG 3.49Å; E282-K286 PolarHBondContact O-N 3.12Å; E282-K286 VanDerWaalsContact O-N 3.12Å; P283-K286 PolarHBondContact O-N 2.87Å; V284-K286 PolarHBondContact O-N 3.06Å; K286-I288 PolarHBondContact O-N 2.85Å; K286-S289 VanDerWaalsContact O-CB 3.23Å; K286-S289 WeakPolarHBondContact O-CB 3.05Å; K286-S289 PolarHBondContact O-N 2.86Å; K286-S289 VanDerWaalsContact O-N 3.15Å; K286-R295 WeakPolarHBondContact O-CG 3.42Å
287	M	97.8	Very high	95.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-42.7	175.9	-72.5	162.5	71.2	0	0	112.5	M231 F232 L234 P283 V284 S289 R295 P296 F301	M231-M287 HydrophobicContact CE-CE 4.1Å; M231-M287 WeakPolarHBondContact O-CE 3.45Å; F232-M287 WeakPolarHBondContact CA-O 3.27Å; F232-M287 WeakPolarHBondContact CD2-O 3.47Å; L234-M287 HydrophobicContact CB-CE 3.95Å; L234-M287 HydrophobicContact CD2-CE 3.97Å; L234-M287 HydrophobicContact CG-CE 3.81Å; P283-M287 VanDerWaalsContact O-CG 3.3Å; P283-M287 WeakPolarHBondContact O-CG 3.29Å; P283-M287 PolarHBondContact O-N 3.33Å; V284-M287 WeakPolarHBondContact O-CB 3.25Å; V284-M287 PolarHBondContact O-N 3.47Å; M287-S289 PolarHBondContact O-N 2.97Å; M287-R295 VanDerWaalsContact O-CD 3.28Å; M287-R295 WeakPolarHBondContact O-CD 3.19Å; M287-R295 PolarHBondContact O-NE 3.2Å; M287-P296 HydrophobicContact CG-CG 3.66Å; M287-P296 HydrophobicContact SD-CG 4.37Å; M287-F301 HydrophobicContact CE-CE1 4.15Å; M287-F301 HydrophobicContact CE-CE2 4.25Å; M287-F301 HydrophobicContact CE-CZ 4.02Å; M287-F301 HydrophobicContact SD-CD1 4.44Å; M287-F301 HydrophobicContact SD-CD2 3.6Å; M287-F301 VanDerWaalsContact SD-CD2 3.6Å; M287-F301 HydrophobicContact SD-CE1 4.12Å; M287-F301 HydrophobicContact SD-CE2 3.18Å; M287-F301 WeakPolarHBondContact SD-CE2 3.21Å; M287-F301 HydrophobicContact SD-CG 4.23Å; M287-F301 HydrophobicContact SD-CZ 3.5Å; M287-F301 WeakPolarHBondContact SD-CZ 3.06Å
288	I	97.3	Very high	95.5	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	7.2	177.7	70.9	179.7	0	0	0	113.6	F232 M236 L248 I265 F269 V284 R285 K286	F232-I288 HydrophobicContact CE2-CB 4.41Å; F232-I288 WeakPolarHBondContact CE2-O 3.07Å; M236-I288 HydrophobicContact CG-CG2 4.39Å; M236-I288 HydrophobicContact SD-CB 4.34Å; M236-I288 HydrophobicContact SD-CG2 3.94Å; L248-I288 HydrophobicContact CD1-CD1 4.03Å; I265-I288 HydrophobicContact CG2-CB 4.31Å; I265-I288 HydrophobicContact CG2-CD1 4.01Å; I265-I288 HydrophobicContact CG2-CG1 4.3Å; F269-I288 HydrophobicContact CB-CD1 3.82Å; F269-I288 HydrophobicContact CD2-CD1 3.4Å; F269-I288 VanDerWaalsContact CD2-CD1 3.4Å; F269-I288 HydrophobicContact CE2-CD1 4.06Å; F269-I288 HydrophobicContact CG-CD1 3.67Å; V284-I288 WeakPolarHBondContact O-CG1 2.83Å; V284-I288 PolarHBondContact O-N 3.28Å; R285-I288 WeakPolarHBondContact O-CG1 3.47Å; K286-I288 PolarHBondContact O-N 2.85Å
289	S	96	Very high	95.7	Very high	21 Å²	21	54 Å²	54	15%	0.147	26%	0.257	C	S	.	.			trans	-66.4	140.5	178.2	-173.4	0	0	0	0	111.7	R285 K286 M287 D291 E294 R295	R285-S289 PolarHBondContact O-N 3.17Å; K286-S289 VanDerWaalsContact O-CB 3.23Å; K286-S289 WeakPolarHBondContact O-CB 3.05Å; K286-S289 PolarHBondContact O-N 2.86Å; K286-S289 VanDerWaalsContact O-N 3.15Å; M287-S289 PolarHBondContact O-N 2.97Å; S289-D291 PolarHBondContact O-N 2.92Å; S289-D291 PolarHBondContact OG-N 3.43Å; S289-E294 VanDerWaalsContact CB-OE2 3.22Å; S289-E294 WeakPolarHBondContact CB-OE2 3.42Å; S289-E294 PolarHBondContact OG-OE2 3.31Å; S289-R295 PolarHBondContact O-NE 3.24Å; S289-R295 PolarHBondContact O-NH2 2.67Å
290	K	93.2	Very high	95.9	Very high	114 Å²	114	55.8 Å²	55.8	50%	0.496	26%	0.263	S	S	.	.	S	Bend	trans	-67.7	-24.6	171	-172	174.1	179.4	179.4	0	111.6	P217 V292	P217-K290 HydrophobicContact CB-CG 4.25Å; P217-K290 HydrophobicContact CG-CG 4.33Å; K290-V292 PolarHBondContact O-N 2.86Å
291	D	93.6	Very high	96	Very high	51 Å²	51	56 Å²	56	27%	0.273	26%	0.264	S	S	.	.	S	Bend	trans	-83.7	111.8	170.9	-167.1	-19.2	0	0	0	110.3	S289 R293 E294	S289-D291 PolarHBondContact O-N 2.92Å; S289-D291 PolarHBondContact OG-N 3.43Å; D291-R293 PolarHBondContact O-N 3.14Å; D291-R293 VanDerWaalsContact O-N 3.11Å; D291-R293 VanDerWaalsContact OD1-CB 3.23Å; D291-R293 WeakPolarHBondContact OD1-CB 3.04Å; D291-R293 VanDerWaalsContact OD1-CG 3.26Å; D291-R293 WeakPolarHBondContact OD1-CG 2.86Å; D291-R293 IonicContact OD1-CZ 2.73Å; D291-R293 PolarHBondContact OD1-N 3.39Å; D291-R293 IonicContact OD1-NE 3.61Å; D291-R293 PolarHBondContact OD1-NE 2.85Å; D291-R293 IonicContact OD2-CZ 2.82Å; D291-R293 VanDerWaalsContact OD2-CZ 3.23Å; D291-R293 IonicContact OD2-NE 2.88Å; D291-R293 PolarHBondContact OD2-NE 3.49Å; D291-R293 IonicContact OD2-NH2 2.67Å; D291-R293 PolarHBondContact OD2-NH2 3.49Å; D291-E294 HydrophobicContact CB-CG 4.22Å; D291-E294 PolarHBondContact O-N 3.43Å
292	V	93.8	Very high	96	Very high	39 Å²	39	54.1 Å²	54.1	24%	0.236	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55	-30.1	177.4	-175.2	0	0	0	0	111.7	E218 L228 K290 E294 R295	E218-V292 HydrophobicContact CB-CG2 4.2Å; E218-V292 HydrophobicContact CG-CG2 3.74Å; L228-V292 HydrophobicContact CB-CG1 3.89Å; L228-V292 HydrophobicContact CD1-CG1 3.78Å; L228-V292 HydrophobicContact CG-CG1 4.47Å; K290-V292 PolarHBondContact O-N 2.86Å; V292-E294 VanDerWaalsContact C-N 3.28Å; V292-E294 PolarHBondContact O-N 3.08Å; V292-R295 PolarHBondContact O-N 2.88Å
293	R	94.4	Very high	96	Very high	215 Å²	215	54.4 Å²	54.4	81%	0.811	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.3	-176	-57.2	174.5	-64.4	173.2	4.9	113.7	D291	D291-R293 PolarHBondContact O-N 3.14Å; D291-R293 VanDerWaalsContact O-N 3.11Å; D291-R293 VanDerWaalsContact OD1-CB 3.23Å; D291-R293 WeakPolarHBondContact OD1-CB 3.04Å; D291-R293 VanDerWaalsContact OD1-CG 3.26Å; D291-R293 WeakPolarHBondContact OD1-CG 2.86Å; D291-R293 IonicContact OD1-CZ 2.73Å; D291-R293 PolarHBondContact OD1-N 3.39Å; D291-R293 IonicContact OD1-NE 3.61Å; D291-R293 PolarHBondContact OD1-NE 2.85Å; D291-R293 IonicContact OD2-CZ 2.82Å; D291-R293 VanDerWaalsContact OD2-CZ 3.23Å; D291-R293 IonicContact OD2-NE 2.88Å; D291-R293 PolarHBondContact OD2-NE 3.49Å; D291-R293 IonicContact OD2-NH2 2.67Å; D291-R293 PolarHBondContact OD2-NH2 3.49Å
294	E	95.4	Very high	95.9	Very high	106 Å²	106	55.1 Å²	55.1	50%	0.495	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-83.5	-21.1	177.5	-63.2	-169.6	133.9	0	0	112.8	S289 D291 V292	S289-E294 VanDerWaalsContact CB-OE2 3.22Å; S289-E294 WeakPolarHBondContact CB-OE2 3.42Å; S289-E294 PolarHBondContact OG-OE2 3.31Å; D291-E294 HydrophobicContact CB-CG 4.22Å; D291-E294 PolarHBondContact O-N 3.43Å; V292-E294 VanDerWaalsContact C-N 3.28Å; V292-E294 PolarHBondContact O-N 3.08Å
295	R	96.8	Very high	95.7	Very high	10 Å²	10	62.6 Å²	62.6	4%	0.038	29%	0.294	C	S	.	.	S	Bend	trans	-72.1	131	-171.9	-56.3	-170.8	-166	145	12.4	111.2	E218 L228 K286 M287 S289 V292	E218-R295 VanDerWaalsContact CD-NH1 3.31Å; E218-R295 IonicContact OE1-CZ 3Å; E218-R295 IonicContact OE1-NH1 3Å; E218-R295 PolarHBondContact OE1-NH1 2.6Å; E218-R295 IonicContact OE1-NH2 3.13Å; E218-R295 IonicContact OE2-CZ 3.94Å; E218-R295 IonicContact OE2-NH1 2.66Å; E218-R295 PolarHBondContact OE2-NH1 3.32Å; E218-R295 IonicContact OE2-NH2 2.77Å; E218-R295 PolarHBondContact OE2-NH2 3.02Å; L228-R295 HydrophobicContact CB-CB 4.35Å; L228-R295 HydrophobicContact CD2-CB 4.21Å; L228-R295 VanDerWaalsContact O-CD 3.28Å; L228-R295 WeakPolarHBondContact O-CD 3.46Å; L228-R295 PolarHBondContact O-NH1 3.05Å; K286-R295 WeakPolarHBondContact O-CG 3.42Å; M287-R295 VanDerWaalsContact O-CD 3.28Å; M287-R295 WeakPolarHBondContact O-CD 3.19Å; M287-R295 PolarHBondContact O-NE 3.2Å; S289-R295 PolarHBondContact O-NE 3.24Å; S289-R295 PolarHBondContact O-NH2 2.67Å; V292-R295 PolarHBondContact O-N 2.88Å
296	P	96.8	Very high	95.6	Very high	17 Å²	17	59.1 Å²	59.1	11%	0.11	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-69.7	145.4	174	30.4	-34.8	0	0	0	110.7	L228 M231 M287 L300 F301	L228-P296 WeakPolarHBondContact CD2-O 3.44Å; M231-P296 WeakPolarHBondContact CG-O 3.42Å; M287-P296 HydrophobicContact CG-CG 3.66Å; M287-P296 HydrophobicContact SD-CG 4.37Å; P296-L300 HydrophobicContact CB-CB 4.34Å; P296-L300 HydrophobicContact CB-CD2 4.1Å; P296-L300 HydrophobicContact CB-CG 4.27Å; P296-F301 HydrophobicContact CB-CB 4.35Å; P296-F301 HydrophobicContact CG-CB 4.35Å; P296-F301 HydrophobicContact CG-CD2 4.07Å
297	T	97.4	Very high	95.5	Very high	63 Å²	63	54.5 Å²	54.5	39%	0.387	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-68.9	158.5	166.4	65.6	0	0	0	0	110.6	L228 Q299 L300 F301	L228-T297 HydrophobicContact CD2-CG2 4.13Å; T297-Q299 VanDerWaalsContact CB-OE1 3.29Å; T297-Q299 PolarHBondContact O-N 3.36Å; T297-Q299 VanDerWaalsContact O-N 3.14Å; T297-Q299 PolarHBondContact OG1-OE1 3.39Å; T297-L300 PolarHBondContact O-N 3.25Å; T297-L300 PolarHBondContact OG1-N 2.9Å; T297-F301 WeakPolarHBondContact O-CB 3.46Å; T297-F301 PolarHBondContact O-N 3.43Å
298	S	96.8	Very high	95.2	Very high	1 Å²	1	57 Å²	57	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-52.2	-34.6	173.6	41	0	0	0	0	113.7	H153 A302	H153-S298 WeakPolarHBondContact ND1-CB 3.29Å; H153-S298 PolarHBondContact ND1-OG 3.27Å; S298-A302 WeakPolarHBondContact O-CB 3.49Å; S298-A302 PolarHBondContact O-N 3.34Å
299	Q	95.7	Very high	95	Very high	80 Å²	80	59.7 Å²	59.7	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-70.9	-43	178.3	-57.6	85	-25.4	0	0	110.8	R150 S154 T297 L303	R150-Q299 HydrophobicContact CG-CG 4.41Å; S154-Q299 PolarHBondContact OG-NE2 3.05Å; T297-Q299 VanDerWaalsContact CB-OE1 3.29Å; T297-Q299 PolarHBondContact O-N 3.36Å; T297-Q299 VanDerWaalsContact O-N 3.14Å; T297-Q299 PolarHBondContact OG1-OE1 3.39Å; Q299-L303 WeakPolarHBondContact O-CG 3.24Å
300	L	95.8	Very high	95	Very high	106 Å²	106	62 Å²	62	56%	0.555	30%	0.301	S	S	*	.	H	α-helix	trans	-70.4	-39.5	177.8	-178	59.8	0	0	0	111.8	P296 T297 L303	P296-L300 HydrophobicContact CB-CB 4.34Å; P296-L300 HydrophobicContact CB-CD2 4.1Å; P296-L300 HydrophobicContact CB-CG 4.27Å; T297-L300 PolarHBondContact O-N 3.25Å; T297-L300 PolarHBondContact OG1-N 2.9Å; L300-L303 WeakPolarHBondContact O-CB 3.08Å; L300-L303 PolarHBondContact O-N 2.95Å; L300-L303 VanDerWaalsContact O-N 3.16Å
301	F	96.6	Very high	95	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-37.2	177.4	-167.2	-111.6	0	0	0	111.8	I142 T146 M231 L234 P283 M287 P296 T297 L303 L304 F307	I142-F301 HydrophobicContact CG2-CE1 3.74Å; I142-F301 HydrophobicContact CG2-CZ 4.1Å; T146-F301 HydrophobicContact CG2-CB 4.37Å; T146-F301 HydrophobicContact CG2-CD1 3.67Å; T146-F301 HydrophobicContact CG2-CG 4.5Å; T146-F301 VanDerWaalsContact OG1-CD1 3.29Å; T146-F301 WeakPolarHBondContact OG1-CD1 3.33Å; T146-F301 WeakPolarHBondContact OG1-CE1 3.35Å; M231-F301 HydrophobicContact CE-CB 3.58Å; M231-F301 HydrophobicContact CE-CD1 3.97Å; M231-F301 HydrophobicContact CE-CG 3.84Å; L234-F301 HydrophobicContact CD2-CE1 4.36Å; P283-F301 HydrophobicContact CB-CD2 4.17Å; P283-F301 HydrophobicContact CB-CE2 3.7Å; M287-F301 HydrophobicContact CE-CE1 4.15Å; M287-F301 HydrophobicContact CE-CE2 4.25Å; M287-F301 HydrophobicContact CE-CZ 4.02Å; M287-F301 HydrophobicContact SD-CD1 4.44Å; M287-F301 HydrophobicContact SD-CD2 3.6Å; M287-F301 VanDerWaalsContact SD-CD2 3.6Å; M287-F301 HydrophobicContact SD-CE1 4.12Å; M287-F301 HydrophobicContact SD-CE2 3.18Å; M287-F301 WeakPolarHBondContact SD-CE2 3.21Å; M287-F301 HydrophobicContact SD-CG 4.23Å; M287-F301 HydrophobicContact SD-CZ 3.5Å; M287-F301 WeakPolarHBondContact SD-CZ 3.06Å; P296-F301 HydrophobicContact CB-CB 4.35Å; P296-F301 HydrophobicContact CG-CB 4.35Å; P296-F301 HydrophobicContact CG-CD2 4.07Å; T297-F301 WeakPolarHBondContact O-CB 3.46Å; T297-F301 PolarHBondContact O-N 3.43Å; F301-L303 PolarHBondContact O-N 3.29Å; F301-L303 VanDerWaalsContact O-N 3.11Å; F301-L304 HydrophobicContact CD2-CD1 3.53Å; F301-L304 HydrophobicContact CD2-CG 4.26Å; F301-L304 HydrophobicContact CE2-CD1 3.38Å; F301-L304 HydrophobicContact CG-CD1 4.3Å; F301-L304 HydrophobicContact CZ-CD1 4.05Å; F301-L304 WeakPolarHBondContact O-CB 3.3Å; F301-L304 VanDerWaalsContact O-CG 3.31Å; F301-L304 WeakPolarHBondContact O-CG 3.48Å; F301-L304 PolarHBondContact O-N 2.94Å; F301-L304 VanDerWaalsContact O-N 3.13Å; F301-F307 HydrophobicContact CD1-CE2 4.04Å; F301-F307 HydrophobicContact CD1-CZ 4.44Å; F301-F307 AromaticContact CE1-CE2 3.87Å; F301-F307 HydrophobicContact CE1-CE2 3.87Å; F301-F307 AromaticContact CE1-CZ 3.82Å; F301-F307 HydrophobicContact CE1-CZ 3.82Å; F301-F307 HydrophobicContact CZ-CE2 4.26Å; F301-F307 HydrophobicContact CZ-CZ 4.05Å; F301-F307 WeakPolarHBondContact O-CD2 3.34Å; F301-F307 VanDerWaalsContact O-CE2 3.3Å; F301-F307 WeakPolarHBondContact O-CE2 3.42Å
302	A	94.8	Very high	95.1	Very high	6 Å²	6	55.5 Å²	55.5	5%	0.05	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.2	172.6	0	0	0	0	0	114.7	T146 S298	T146-A302 HydrophobicContact CG2-CB 3.92Å; S298-A302 WeakPolarHBondContact O-CB 3.49Å; S298-A302 PolarHBondContact O-N 3.34Å
303	L	94.3	Very high	95.1	Very high	100 Å²	100	56.8 Å²	56.8	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1	177.3	-65.7	171.9	0	0	0	113.6	Q299 L300 F301 K305	Q299-L303 WeakPolarHBondContact O-CG 3.24Å; L300-L303 WeakPolarHBondContact O-CB 3.08Å; L300-L303 PolarHBondContact O-N 2.95Å; L300-L303 VanDerWaalsContact O-N 3.16Å; F301-L303 PolarHBondContact O-N 3.29Å; F301-L303 VanDerWaalsContact O-N 3.11Å; L303-K305 PolarHBondContact O-N 3.37Å
304	L	95.3	Very high	95.1	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.209	24%	0.244	C	C	.	.			trans	-57.2	135.1	174.9	-71.5	178.7	0	0	0	111.3	L280 P283 F301 V306 F307 N308	L280-L304 HydrophobicContact CD2-CD1 4.16Å; P283-L304 HydrophobicContact CB-CD1 3.73Å; P283-L304 HydrophobicContact CB-CD2 4.24Å; P283-L304 HydrophobicContact CG-CD1 3.76Å; P283-L304 HydrophobicContact CG-CD2 3.62Å; P283-L304 HydrophobicContact CG-CG 4.37Å; F301-L304 HydrophobicContact CD2-CD1 3.53Å; F301-L304 HydrophobicContact CD2-CG 4.26Å; F301-L304 HydrophobicContact CE2-CD1 3.38Å; F301-L304 HydrophobicContact CG-CD1 4.3Å; F301-L304 HydrophobicContact CZ-CD1 4.05Å; F301-L304 WeakPolarHBondContact O-CB 3.3Å; F301-L304 VanDerWaalsContact O-CG 3.31Å; F301-L304 WeakPolarHBondContact O-CG 3.48Å; F301-L304 PolarHBondContact O-N 2.94Å; F301-L304 VanDerWaalsContact O-N 3.13Å; L304-V306 HydrophobicContact CB-CG1 4.14Å; L304-V306 PolarHBondContact O-N 3.25Å; L304-V306 VanDerWaalsContact O-N 3.09Å; L304-F307 HydrophobicContact CB-CD2 3.94Å; L304-F307 HydrophobicContact CB-CE2 4.05Å; L304-F307 HydrophobicContact CD1-CE2 3.93Å; L304-F307 HydrophobicContact CD1-CZ 4.37Å; L304-F307 HydrophobicContact CG-CE2 4.41Å; L304-F307 PolarHBondContact O-N 2.84Å; L304-F307 VanDerWaalsContact O-N 3.15Å; L304-N308 PolarHBondContact O-ND2 2.85Å
305	K	94.3	Very high	95	Very high	157 Å²	157	42.3 Å²	42.3	68%	0.683	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-52.1	-37.6	-178	-176.3	-171.8	168.9	-160.7	0	112.5	L303 F307 N308 E309	L303-K305 PolarHBondContact O-N 3.37Å; K305-F307 VanDerWaalsContact C-N 3.33Å; K305-F307 PolarHBondContact O-N 3.14Å; K305-N308 CarbonylContact O-C 3.6Å; K305-N308 WeakPolarHBondContact O-CA 3.47Å; K305-N308 WeakPolarHBondContact O-CB 3.46Å; K305-N308 PolarHBondContact O-N 3.1Å; K305-E309 IonicContact NZ-OE1 3.86Å; K305-E309 WeakPolarHBondContact O-CG 3.38Å; K305-E309 PolarHBondContact O-N 3.44Å
306	V	94.1	Very high	94.8	Very high	7 Å²	7	43 Å²	43	4%	0.042	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58	-40.2	-177.5	71.9	0	0	0	0	113	I139 T279 L280 L304 N308 E309 V312	I139-V306 HydrophobicContact CD1-CG2 3.62Å; I139-V306 HydrophobicContact CG1-CG2 4.04Å; I139-V306 HydrophobicContact CG2-CG2 3.84Å; T279-V306 HydrophobicContact CG2-CB 4.45Å; T279-V306 HydrophobicContact CG2-CG2 4.47Å; T279-V306 WeakPolarHBondContact OG1-CG2 3.45Å; L280-V306 HydrophobicContact CD2-CG1 3.89Å; L304-V306 HydrophobicContact CB-CG1 4.14Å; L304-V306 PolarHBondContact O-N 3.25Å; L304-V306 VanDerWaalsContact O-N 3.09Å; V306-N308 PolarHBondContact O-N 3.3Å; V306-N308 VanDerWaalsContact O-N 3.17Å; V306-E309 PolarHBondContact O-N 3.28Å; V306-V312 WeakPolarHBondContact O-CG2 3.15Å
307	F	94.7	Very high	94.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-74.5	-1.5	176.2	-52.2	-41.6	0	0	0	113.7	I139 I142 Y143 L280 F301 L304 K305	I139-F307 HydrophobicContact CG2-CD1 3.88Å; I139-F307 HydrophobicContact CG2-CE1 4.16Å; I139-F307 WeakPolarHBondContact O-CE1 3.5Å; I142-F307 HydrophobicContact CB-CE1 4.32Å; I142-F307 HydrophobicContact CB-CZ 4.45Å; I142-F307 HydrophobicContact CG2-CE1 4.09Å; I142-F307 HydrophobicContact CG2-CZ 3.72Å; Y143-F307 HydrophobicContact CD2-CB 3.69Å; Y143-F307 HydrophobicContact CD2-CD1 4.43Å; Y143-F307 HydrophobicContact CD2-CD2 4.19Å; Y143-F307 AromaticContact CD2-CG 3.87Å; Y143-F307 HydrophobicContact CD2-CG 3.87Å; Y143-F307 HydrophobicContact CE2-CB 4.31Å; Y143-F307 HydrophobicContact CG-CB 4.2Å; Y143-F307 HydrophobicContact CG-CD1 4.43Å; Y143-F307 HydrophobicContact CG-CG 4.3Å; L280-F307 HydrophobicContact CD2-CE1 4.44Å; L280-F307 HydrophobicContact CD2-CZ 4.16Å; F301-F307 HydrophobicContact CD1-CE2 4.04Å; F301-F307 HydrophobicContact CD1-CZ 4.44Å; F301-F307 AromaticContact CE1-CE2 3.87Å; F301-F307 HydrophobicContact CE1-CE2 3.87Å; F301-F307 AromaticContact CE1-CZ 3.82Å; F301-F307 HydrophobicContact CE1-CZ 3.82Å; F301-F307 HydrophobicContact CZ-CE2 4.26Å; F301-F307 HydrophobicContact CZ-CZ 4.05Å; F301-F307 WeakPolarHBondContact O-CD2 3.34Å; F301-F307 VanDerWaalsContact O-CE2 3.3Å; F301-F307 WeakPolarHBondContact O-CE2 3.42Å; L304-F307 HydrophobicContact CB-CD2 3.94Å; L304-F307 HydrophobicContact CB-CE2 4.05Å; L304-F307 HydrophobicContact CD1-CE2 3.93Å; L304-F307 HydrophobicContact CD1-CZ 4.37Å; L304-F307 HydrophobicContact CG-CE2 4.41Å; L304-F307 PolarHBondContact O-N 2.84Å; L304-F307 VanDerWaalsContact O-N 3.15Å; K305-F307 VanDerWaalsContact C-N 3.33Å; K305-F307 PolarHBondContact O-N 3.14Å
308	N	92.2	Very high	94.4	Very high	52 Å²	52	40 Å²	40	28%	0.278	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-120.7	9	-176.2	-63.5	-73.3	0	0	0	112	L304 K305 V306 L313 R776	L304-N308 PolarHBondContact O-ND2 2.85Å; K305-N308 CarbonylContact O-C 3.6Å; K305-N308 WeakPolarHBondContact O-CA 3.47Å; K305-N308 WeakPolarHBondContact O-CB 3.46Å; K305-N308 PolarHBondContact O-N 3.1Å; V306-N308 PolarHBondContact O-N 3.3Å; V306-N308 VanDerWaalsContact O-N 3.17Å; N308-L313 WeakPolarHBondContact O-CD1 3.45Å; N308-R776 VanDerWaalsContact OD1-CZ 3.27Å; N308-R776 PolarHBondContact OD1-NH1 3.06Å; N308-R776 PolarHBondContact OD1-NH2 2.87Å; N308-R776 VanDerWaalsContact OD1-NH2 3.13Å
309	E	93.9	Very high	94	Very high	66 Å²	66	42.4 Å²	42.4	31%	0.308	22%	0.222	S	C	.	.	S	Bend	trans	-75.5	148.3	176.1	-62.1	-151.2	155.9	0	0	111.8	K305 V306 V311 V312 L313	K305-E309 IonicContact NZ-OE1 3.86Å; K305-E309 WeakPolarHBondContact O-CG 3.38Å; K305-E309 PolarHBondContact O-N 3.44Å; V306-E309 PolarHBondContact O-N 3.28Å; E309-V311 HydrophobicContact CB-CG2 4.35Å; E309-V311 PolarHBondContact O-N 3.4Å; E309-V312 PolarHBondContact O-N 3Å; E309-L313 PolarHBondContact O-N 2.92Å; E309-L313 VanDerWaalsContact O-N 3.13Å
310	P	94.6	Very high	93.7	Very high	68 Å²	68	40.8 Å²	40.8	44%	0.442	22%	0.217	S	C	.	.	H	α-helix	trans	-56.1	-30.6	-173.8	-27.9	35.5	0	0	0	114.4	S314 V339 L342	P310-S314 WeakPolarHBondContact O-CB 3.3Å; P310-S314 PolarHBondContact O-N 3.4Å; P310-S314 PolarHBondContact O-OG 3.41Å; P310-V339 HydrophobicContact CB-CG1 4.11Å; P310-V339 HydrophobicContact CB-CG2 3.83Å; P310-L342 HydrophobicContact CB-CD1 4.49Å
311	V	94.6	Very high	93.4	Very high	27 Å²	27	36 Å²	36	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-44.9	177.4	-68.5	0	0	0	0	112.3	L136 E309 S314 Y315 V339 L342 F343	L136-V311 HydrophobicContact CD1-CB 4.47Å; L136-V311 HydrophobicContact CD1-CG2 4.28Å; E309-V311 HydrophobicContact CB-CG2 4.35Å; E309-V311 PolarHBondContact O-N 3.4Å; V311-S314 PolarHBondContact O-N 2.88Å; V311-Y315 WeakPolarHBondContact O-CB 3.32Å; V311-Y315 PolarHBondContact O-N 3.31Å; V311-V339 HydrophobicContact CG1-CG1 3.9Å; V311-L342 HydrophobicContact CG1-CB 3.7Å; V311-F343 HydrophobicContact CB-CD1 3.96Å; V311-F343 HydrophobicContact CB-CE1 3.68Å; V311-F343 HydrophobicContact CB-CZ 4.33Å; V311-F343 HydrophobicContact CG1-CD1 3.89Å; V311-F343 HydrophobicContact CG1-CE1 3.98Å; V311-F343 HydrophobicContact CG1-CG 4.31Å; V311-F343 HydrophobicContact CG1-CZ 4.46Å; V311-F343 WeakPolarHBondContact O-CE1 3.36Å
312	V	94	Very high	92.9	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-48.7	177.3	-175.5	0	0	0	0	110.1	L136 I139 F140 V306 E309 S314 Y315 E316	L136-V312 HydrophobicContact CD1-CB 4.45Å; L136-V312 HydrophobicContact CD1-CG2 3.81Å; I139-V312 HydrophobicContact CG2-CG2 3.79Å; F140-V312 HydrophobicContact CB-CG1 4.5Å; F140-V312 HydrophobicContact CD2-CG1 3.99Å; V306-V312 WeakPolarHBondContact O-CG2 3.15Å; E309-V312 PolarHBondContact O-N 3Å; V312-S314 VanDerWaalsContact C-N 3.32Å; V312-S314 PolarHBondContact O-N 3.3Å; V312-Y315 PolarHBondContact O-N 3.43Å; V312-Y315 VanDerWaalsContact O-N 3.14Å; V312-E316 PolarHBondContact O-N 3.3Å
313	L	93.8	Very high	92.5	Very high	66 Å²	66	45.1 Å²	45.1	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-65.1	-34	-179.4	-62	178.2	0	0	0	112.7	N308 E309 G317	N308-L313 WeakPolarHBondContact O-CD1 3.45Å; E309-L313 PolarHBondContact O-N 2.92Å; E309-L313 VanDerWaalsContact O-N 3.13Å; L313-G317 PolarHBondContact O-N 2.61Å
314	S	94.8	Very high	92.2	Very high	13 Å²	13	43.3 Å²	43.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-75.2	-30.4	174.7	-58.4	0	0	0	0	112.2	P310 V311 V312 G317 L318 F332	P310-S314 WeakPolarHBondContact O-CB 3.3Å; P310-S314 PolarHBondContact O-N 3.4Å; P310-S314 PolarHBondContact O-OG 3.41Å; V311-S314 PolarHBondContact O-N 2.88Å; V312-S314 VanDerWaalsContact C-N 3.32Å; V312-S314 PolarHBondContact O-N 3.3Å; S314-G317 PolarHBondContact O-N 3.05Å; S314-L318 WeakPolarHBondContact O-CG 3.46Å; S314-L318 PolarHBondContact O-N 3.08Å; S314-F332 WeakPolarHBondContact O-CZ 3.41Å
315	Y	93.8	Very high	92.1	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-72.7	-44.2	176.5	-164.1	-135.7	0	0	0	111.8	L136 F140 S174 V311 V312 G317 L318 L319 I352 I355	L136-Y315 HydrophobicContact CD2-CD1 3.94Å; L136-Y315 HydrophobicContact CD2-CE1 4.4Å; L136-Y315 HydrophobicContact CD2-CG 4.06Å; L136-Y315 HydrophobicContact CG-CD1 4.15Å; F140-Y315 AromaticContact CD1-CD1 3.78Å; F140-Y315 HydrophobicContact CD1-CD1 3.78Å; F140-Y315 HydrophobicContact CD1-CE1 4.17Å; F140-Y315 HydrophobicContact CE1-CD1 4.23Å; F140-Y315 HydrophobicContact CG-CD1 4.45Å; S174-Y315 WeakPolarHBondContact CB-OH 3.4Å; S174-Y315 PolarHBondContact OG-OH 3.21Å; V311-Y315 WeakPolarHBondContact O-CB 3.32Å; V311-Y315 PolarHBondContact O-N 3.31Å; V312-Y315 PolarHBondContact O-N 3.43Å; V312-Y315 VanDerWaalsContact O-N 3.14Å; Y315-G317 VanDerWaalsContact C-N 3.3Å; Y315-G317 PolarHBondContact O-N 3.29Å; Y315-L318 PolarHBondContact O-N 3.06Å; Y315-L319 HydrophobicContact CD1-CD1 4.2Å; Y315-L319 HydrophobicContact CD2-CD1 4.36Å; Y315-L319 HydrophobicContact CE1-CD1 4.06Å; Y315-L319 HydrophobicContact CE2-CD1 4.21Å; Y315-L319 HydrophobicContact CG-CD1 4.36Å; Y315-L319 WeakPolarHBondContact O-CG 3.5Å; Y315-L319 PolarHBondContact O-N 2.85Å; Y315-L319 VanDerWaalsContact O-N 3.11Å; Y315-I352 HydrophobicContact CD2-CD1 3.43Å; Y315-I352 VanDerWaalsContact CD2-CD1 3.43Å; Y315-I352 HydrophobicContact CE2-CD1 3.76Å; Y315-I352 HydrophobicContact CG-CD1 4.44Å; Y315-I355 HydrophobicContact CE2-CD1 4.44Å
316	E	92.1	Very high	91.9	Very high	23 Å²	23	40.7 Å²	40.7	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-43.9	168.1	-178.8	162	-123.2	0	0	112	R95 F140 V312 L318 L319 T320	R95-E316 IonicContact CZ-OE1 2.65Å; R95-E316 IonicContact NH1-OE1 3.02Å; R95-E316 IonicContact NH2-OE1 3.4Å; R95-E316 PolarHBondContact NH2-OE1 3.27Å; F140-E316 HydrophobicContact CE2-CB 3.58Å; F140-E316 HydrophobicContact CE2-CG 3.98Å; F140-E316 HydrophobicContact CZ-CB 3.61Å; F140-E316 HydrophobicContact CZ-CG 3.94Å; V312-E316 PolarHBondContact O-N 3.3Å; E316-L318 PolarHBondContact O-N 3.47Å; E316-L319 PolarHBondContact O-N 3.1Å; E316-T320 HydrophobicContact CG-CG2 4.31Å; E316-T320 WeakPolarHBondContact O-CB 3.05Å; E316-T320 WeakPolarHBondContact O-CG2 3.46Å; E316-T320 PolarHBondContact O-N 3.05Å; E316-T320 PolarHBondContact O-OG1 3.06Å
317	G	92.6	Very high	91.9	Very high	14 Å²	14	46.1 Å²	46.1	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-40.6	179	0	0	0	0	0	113.1	L313 S314 Y315 L321	L313-G317 PolarHBondContact O-N 2.61Å; S314-G317 PolarHBondContact O-N 3.05Å; Y315-G317 VanDerWaalsContact C-N 3.3Å; Y315-G317 PolarHBondContact O-N 3.29Å; G317-L321 VanDerWaalsContact O-CB 3.26Å; G317-L321 WeakPolarHBondContact O-CB 3.38Å; G317-L321 PolarHBondContact O-N 2.99Å
318	L	93	Very high	91.7	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-45.5	174.6	-81.7	165.7	0	0	0	112.2	S314 Y315 E316 L321 F332 F333 L336 I352 I355	S314-L318 WeakPolarHBondContact O-CG 3.46Å; S314-L318 PolarHBondContact O-N 3.08Å; Y315-L318 PolarHBondContact O-N 3.06Å; E316-L318 PolarHBondContact O-N 3.47Å; L318-L321 WeakPolarHBondContact O-CB 3.4Å; L318-F332 HydrophobicContact CD2-CE1 3.88Å; L318-F332 HydrophobicContact CD2-CZ 4.44Å; L318-F332 HydrophobicContact CG-CE1 3.88Å; L318-F332 HydrophobicContact CG-CZ 3.93Å; L318-F333 HydrophobicContact CD2-CE1 4.22Å; L318-L336 HydrophobicContact CD1-CD1 4.39Å; L318-L336 HydrophobicContact CD1-CD2 4.49Å; L318-L336 HydrophobicContact CD2-CD2 4.02Å; L318-L336 HydrophobicContact CG-CD2 4.49Å; L318-I352 HydrophobicContact CD1-CD1 3.96Å; L318-I352 HydrophobicContact CD1-CG2 3.99Å; L318-I355 HydrophobicContact CB-CD1 4.49Å; L318-I355 HydrophobicContact CB-CG2 4.29Å; L318-I355 HydrophobicContact CD2-CG2 3.9Å
319	L	89.4	Confident	91.8	Very high	51 Å²	51	49.9 Å²	49.9	27%	0.267	28%	0.276	S	S	.	.	H	α-helix	trans	-75	-23.3	-175.8	-68.4	167.5	0	0	0	113.5	F140 Y315 E316 I355	F140-L319 HydrophobicContact CD1-CD1 4.47Å; F140-L319 HydrophobicContact CE1-CD1 3.68Å; Y315-L319 HydrophobicContact CD1-CD1 4.2Å; Y315-L319 HydrophobicContact CD2-CD1 4.36Å; Y315-L319 HydrophobicContact CE1-CD1 4.06Å; Y315-L319 HydrophobicContact CE2-CD1 4.21Å; Y315-L319 HydrophobicContact CG-CD1 4.36Å; Y315-L319 WeakPolarHBondContact O-CG 3.5Å; Y315-L319 PolarHBondContact O-N 2.85Å; Y315-L319 VanDerWaalsContact O-N 3.11Å; E316-L319 PolarHBondContact O-N 3.1Å; L319-I355 HydrophobicContact CD2-CD1 3.97Å
320	T	88.6	Confident	91.8	Very high	46 Å²	46	49.2 Å²	49.2	28%	0.282	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	14.7	178.7	63.2	0	0	0	0	113.4	E316 S322 K324	E316-T320 HydrophobicContact CG-CG2 4.31Å; E316-T320 WeakPolarHBondContact O-CB 3.05Å; E316-T320 WeakPolarHBondContact O-CG2 3.46Å; E316-T320 PolarHBondContact O-N 3.05Å; E316-T320 PolarHBondContact O-OG1 3.06Å; T320-S322 PolarHBondContact O-N 3.26Å; T320-K324 VanDerWaalsContact O-CE 3.25Å; T320-K324 WeakPolarHBondContact O-CE 2.84Å
321	L	90.1	Very high	91.8	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.27	C	S	.	.			trans	-74.6	-26.6	-170.1	-159.1	55.2	0	0	0	113.9	G317 L318 D323 K324 K329 F332 F333 W359	G317-L321 VanDerWaalsContact O-CB 3.26Å; G317-L321 WeakPolarHBondContact O-CB 3.38Å; G317-L321 PolarHBondContact O-N 2.99Å; L318-L321 WeakPolarHBondContact O-CB 3.4Å; L321-D323 VanDerWaalsContact C-N 3.25Å; L321-D323 PolarHBondContact O-N 3.02Å; L321-K324 HydrophobicContact CD1-CG 4.29Å; L321-K324 PolarHBondContact O-N 3.16Å; L321-K329 HydrophobicContact CD1-CG 4.03Å; L321-K329 HydrophobicContact CG-CG 4.04Å; L321-K329 WeakPolarHBondContact O-CE 3.29Å; L321-F332 HydrophobicContact CD1-CB 4.11Å; L321-F332 HydrophobicContact CD1-CD1 3.95Å; L321-F332 HydrophobicContact CD1-CG 4.01Å; L321-F332 HydrophobicContact CD2-CD1 3.75Å; L321-F332 HydrophobicContact CD2-CE1 4.16Å; L321-F333 HydrophobicContact CD2-CD2 4.29Å; L321-F333 HydrophobicContact CD2-CE1 4.09Å; L321-F333 HydrophobicContact CD2-CE2 3.45Å; L321-F333 VanDerWaalsContact CD2-CE2 3.45Å; L321-F333 HydrophobicContact CD2-CZ 3.32Å; L321-W359 HydrophobicContact CB-CZ2 3.83Å; L321-W359 HydrophobicContact CD2-CZ2 4.07Å; L321-W359 HydrophobicContact CG-CH2 4.41Å; L321-W359 HydrophobicContact CG-CZ2 4.02Å
322	S	86.8	Confident	91.8	Very high	68 Å²	68	50.5 Å²	50.5	48%	0.476	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-48.8	-179.5	47.2	0	0	0	0	112.4	T320 K324 K329	T320-S322 PolarHBondContact O-N 3.26Å; S322-K324 PolarHBondContact O-N 3.18Å; S322-K329 WeakPolarHBondContact O-CE 3.42Å; S322-K329 PolarHBondContact O-NZ 2.93Å
323	D	84.7	Confident	91.9	Very high	133 Å²	133	50.3 Å²	50.3	71%	0.711	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	0.8	-166.7	-45.9	-15.7	0	0	0	112.7	L321	L321-D323 VanDerWaalsContact C-N 3.25Å; L321-D323 PolarHBondContact O-N 3.02Å
324	K	89.1	Confident	91.9	Very high	63 Å²	63	48.3 Å²	48.3	27%	0.274	26%	0.263	S	S	.	.	S	Bend	trans	-91.8	152.1	-175.1	-48.6	-50.2	-179.3	-159	0	111.8	T320 L321 S322 Q328 K329	T320-K324 VanDerWaalsContact O-CE 3.25Å; T320-K324 WeakPolarHBondContact O-CE 2.84Å; L321-K324 HydrophobicContact CD1-CG 4.29Å; L321-K324 PolarHBondContact O-N 3.16Å; S322-K324 PolarHBondContact O-N 3.18Å; K324-Q328 HydrophobicContact CB-CB 4.04Å; K324-K329 HydrophobicContact CB-CG 4.37Å; K324-K329 WeakPolarHBondContact O-CE 3.26Å; K324-K329 PolarHBondContact O-NZ 3.14Å
325	S	92.2	Very high	91.8	Very high	61 Å²	61	53.7 Å²	53.7	43%	0.427	28%	0.282	S	S	.	.			trans	-64	157	175.1	67.9	0	0	0	0	112	N327 Q328 K329	S325-N327 PolarHBondContact O-N 3.46Å; S325-Q328 PolarHBondContact O-N 3.41Å; S325-Q328 VanDerWaalsContact O-N 3.11Å; S325-Q328 VanDerWaalsContact OG-CD 3.26Å; S325-Q328 WeakPolarHBondContact OG-CG 3.5Å; S325-Q328 PolarHBondContact OG-N 3.22Å; S325-Q328 PolarHBondContact OG-OE1 3.3Å; S325-K329 WeakPolarHBondContact O-CG 3.44Å; S325-K329 PolarHBondContact O-N 2.83Å
326	L	91.3	Very high	91.9	Very high	81 Å²	81	53.5 Å²	53.5	42%	0.424	28%	0.281	S	S	.	.	H	α-helix	trans	-55.9	-35.7	-179.9	-172.6	68.7	0	0	0	112.7	K329 K330 L366	L326-K329 PolarHBondContact O-N 3.31Å; L326-K330 HydrophobicContact CG-CD 4.41Å; L326-K330 VanDerWaalsContact O-CG 3.29Å; L326-K330 WeakPolarHBondContact O-CG 3.48Å; L326-K330 PolarHBondContact O-N 3.27Å; L326-L366 HydrophobicContact CD1-CD1 4.25Å; L326-L366 HydrophobicContact CD1-CD2 3.71Å; L326-L366 HydrophobicContact CD1-CG 4Å
327	N	92.9	Very high	92.1	Very high	120 Å²	120	53 Å²	53	64%	0.642	28%	0.28	S	S	*	.	H	α-helix	trans	-70.3	-42	178.4	-69	-13.6	0	0	0	111.9	S325 K329 K330 E331	S325-N327 PolarHBondContact O-N 3.46Å; N327-K329 VanDerWaalsContact C-N 3.31Å; N327-K329 PolarHBondContact O-N 3.15Å; N327-K330 PolarHBondContact O-N 3.09Å; N327-E331 WeakPolarHBondContact O-CB 3.32Å; N327-E331 PolarHBondContact O-N 3.46Å
328	Q	92.4	Very high	92.3	Very high	99 Å²	99	55.5 Å²	55.5	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-36.7	173.8	-71.9	161.9	-39.6	0	0	111.7	K324 S325 E331 F332	K324-Q328 HydrophobicContact CB-CB 4.04Å; S325-Q328 PolarHBondContact O-N 3.41Å; S325-Q328 VanDerWaalsContact O-N 3.11Å; S325-Q328 VanDerWaalsContact OG-CD 3.26Å; S325-Q328 WeakPolarHBondContact OG-CG 3.5Å; S325-Q328 PolarHBondContact OG-N 3.22Å; S325-Q328 PolarHBondContact OG-OE1 3.3Å; Q328-E331 PolarHBondContact O-N 3.03Å; Q328-F332 VanDerWaalsContact O-CB 3.26Å; Q328-F332 WeakPolarHBondContact O-CB 3.26Å; Q328-F332 PolarHBondContact O-N 3.31Å
329	K	94	Very high	92.4	Very high	33 Å²	33	55.9 Å²	55.9	14%	0.143	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-47.5	172.7	-71.1	170.7	171.5	155.7	0	111.6	L321 S322 K324 S325 L326 N327 F332 F333 W359 L366	L321-K329 HydrophobicContact CD1-CG 4.03Å; L321-K329 HydrophobicContact CG-CG 4.04Å; L321-K329 WeakPolarHBondContact O-CE 3.29Å; S322-K329 WeakPolarHBondContact O-CE 3.42Å; S322-K329 PolarHBondContact O-NZ 2.93Å; K324-K329 HydrophobicContact CB-CG 4.37Å; K324-K329 WeakPolarHBondContact O-CE 3.26Å; K324-K329 PolarHBondContact O-NZ 3.14Å; S325-K329 WeakPolarHBondContact O-CG 3.44Å; S325-K329 PolarHBondContact O-N 2.83Å; L326-K329 PolarHBondContact O-N 3.31Å; N327-K329 VanDerWaalsContact C-N 3.31Å; N327-K329 PolarHBondContact O-N 3.15Å; K329-F332 PolarHBondContact O-N 3.32Å; K329-F333 WeakPolarHBondContact O-CD2 3.4Å; K329-F333 PolarHBondContact O-N 3.01Å; K329-W359 HydrophobicContact CD-CH2 4.24Å; K329-W359 HydrophobicContact CD-CZ3 4.25Å; K329-L366 HydrophobicContact CB-CD1 4.03Å; K329-L366 HydrophobicContact CB-CD2 4.4Å; K329-L366 HydrophobicContact CD-CD1 4.24Å
330	K	93.6	Very high	92.8	Very high	51 Å²	51	53.4 Å²	53.4	22%	0.222	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-41.7	175.8	-71.6	174.6	173.3	-166.8	0	112.7	L326 N327 G334 L366 Y369	L326-K330 HydrophobicContact CG-CD 4.41Å; L326-K330 VanDerWaalsContact O-CG 3.29Å; L326-K330 WeakPolarHBondContact O-CG 3.48Å; L326-K330 PolarHBondContact O-N 3.27Å; N327-K330 PolarHBondContact O-N 3.09Å; K330-G334 PolarHBondContact O-N 3.28Å; K330-L366 HydrophobicContact CD-CD2 4.34Å; K330-L366 HydrophobicContact CG-CD2 3.5Å; K330-L366 VanDerWaalsContact CG-CD2 3.5Å; K330-Y369 HydrophobicContact CB-CD1 3.73Å; K330-Y369 HydrophobicContact CB-CE1 3.78Å; K330-Y369 HydrophobicContact CB-CG 4.18Å; K330-Y369 HydrophobicContact CD-CD1 4.45Å; K330-Y369 HydrophobicContact CD-CD2 4.26Å; K330-Y369 HydrophobicContact CD-CE1 3.93Å; K330-Y369 HydrophobicContact CD-CE2 3.71Å; K330-Y369 VanDerWaalsContact CE-CE2 3.41Å; K330-Y369 HydrophobicContact CG-CD1 3.82Å; K330-Y369 HydrophobicContact CG-CD2 3.85Å; K330-Y369 HydrophobicContact CG-CE1 3.79Å; K330-Y369 HydrophobicContact CG-CE2 3.82Å; K330-Y369 HydrophobicContact CG-CG 3.85Å
331	E	93.4	Very high	93.1	Very high	89 Å²	89	52 Å²	52	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-43.9	176.7	-173.2	-173.3	159.2	0	0	111.9	N327 Q328 G334 R335	N327-E331 WeakPolarHBondContact O-CB 3.32Å; N327-E331 PolarHBondContact O-N 3.46Å; Q328-E331 PolarHBondContact O-N 3.03Å; E331-G334 PolarHBondContact O-N 3.43Å; E331-R335 PolarHBondContact O-N 3.41Å; E331-R335 IonicContact OE1-CZ 3.18Å; E331-R335 IonicContact OE1-NH1 2.71Å; E331-R335 PolarHBondContact OE1-NH1 2.82Å; E331-R335 IonicContact OE1-NH2 2.71Å; E331-R335 PolarHBondContact OE1-NH2 3.41Å
332	F	95.5	Very high	93.3	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.145	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-54.1	177.2	179.1	-96.7	0	0	0	112	S314 L318 L321 Q328 K329 G334 R335 L336	S314-F332 WeakPolarHBondContact O-CZ 3.41Å; L318-F332 HydrophobicContact CD2-CE1 3.88Å; L318-F332 HydrophobicContact CD2-CZ 4.44Å; L318-F332 HydrophobicContact CG-CE1 3.88Å; L318-F332 HydrophobicContact CG-CZ 3.93Å; L321-F332 HydrophobicContact CD1-CB 4.11Å; L321-F332 HydrophobicContact CD1-CD1 3.95Å; L321-F332 HydrophobicContact CD1-CG 4.01Å; L321-F332 HydrophobicContact CD2-CD1 3.75Å; L321-F332 HydrophobicContact CD2-CE1 4.16Å; Q328-F332 VanDerWaalsContact O-CB 3.26Å; Q328-F332 WeakPolarHBondContact O-CB 3.26Å; Q328-F332 PolarHBondContact O-N 3.31Å; K329-F332 PolarHBondContact O-N 3.32Å; F332-G334 PolarHBondContact O-N 3.11Å; F332-R335 WeakPolarHBondContact O-CA 3.34Å; F332-R335 PolarHBondContact O-N 3.18Å; F332-L336 HydrophobicContact CE1-CD2 4.19Å; F332-L336 HydrophobicContact CZ-CD1 4.4Å; F332-L336 PolarHBondContact O-N 3.47Å
333	F	95.3	Very high	93.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-25.3	176	-71.5	-58.4	0	0	0	112.5	L318 L321 K329 R335 L336 P337 W359 L366 Y369 I370	L318-F333 HydrophobicContact CD2-CE1 4.22Å; L321-F333 HydrophobicContact CD2-CD2 4.29Å; L321-F333 HydrophobicContact CD2-CE1 4.09Å; L321-F333 HydrophobicContact CD2-CE2 3.45Å; L321-F333 VanDerWaalsContact CD2-CE2 3.45Å; L321-F333 HydrophobicContact CD2-CZ 3.32Å; K329-F333 WeakPolarHBondContact O-CD2 3.4Å; K329-F333 PolarHBondContact O-N 3.01Å; F333-R335 VanDerWaalsContact C-N 3.28Å; F333-R335 PolarHBondContact O-N 3.46Å; F333-L336 HydrophobicContact CD1-CD2 3.98Å; F333-L336 HydrophobicContact CE1-CD2 4.21Å; F333-P337 WeakPolarHBondContact O-CD 3.41Å; F333-W359 HydrophobicContact CE2-CD2 4.18Å; F333-W359 HydrophobicContact CE2-CE3 4.19Å; F333-W359 HydrophobicContact CE2-CG 4.38Å; F333-W359 HydrophobicContact CZ-CB 3.98Å; F333-W359 AromaticContact CZ-CD2 3.87Å; F333-W359 HydrophobicContact CZ-CD2 3.87Å; F333-W359 HydrophobicContact CZ-CE3 4.34Å; F333-W359 AromaticContact CZ-CG 3.68Å; F333-W359 HydrophobicContact CZ-CG 3.68Å; F333-L366 HydrophobicContact CE2-CD1 4.43Å; F333-Y369 WeakPolarHBondContact CB-O 3.39Å; F333-I370 HydrophobicContact CB-CG1 4.5Å; F333-I370 HydrophobicContact CD1-CB 4.36Å; F333-I370 HydrophobicContact CD1-CG1 3.98Å; F333-I370 HydrophobicContact CD1-CG2 4.21Å; F333-I370 HydrophobicContact CD2-CG1 3.59Å; F333-I370 HydrophobicContact CE1-CG1 4.02Å; F333-I370 HydrophobicContact CE1-CG2 4.1Å; F333-I370 HydrophobicContact CE2-CD1 4.23Å; F333-I370 HydrophobicContact CE2-CG1 3.63Å; F333-I370 HydrophobicContact CG-CB 4.45Å; F333-I370 HydrophobicContact CG-CG1 3.78Å; F333-I370 HydrophobicContact CZ-CD1 4.46Å; F333-I370 HydrophobicContact CZ-CG1 3.85Å
334	G	93.5	Very high	94	Very high	23 Å²	23	51.8 Å²	51.8	24%	0.237	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-18.8	168.5	0	0	0	0	0	114.8	K330 E331 F332 K677	K330-G334 PolarHBondContact O-N 3.28Å; E331-G334 PolarHBondContact O-N 3.43Å; F332-G334 PolarHBondContact O-N 3.11Å; G334-K677 WeakPolarHBondContact O-CE 3.49Å; G334-K677 PolarHBondContact O-NZ 3.31Å
335	R	94.2	Very high	94.1	Very high	126 Å²	126	51.8 Å²	51.8	48%	0.475	26%	0.264	S	S	.	.	H	α-helix	trans	-97.7	-39.1	175.9	-71.2	-179	178.7	126.3	8.6	112.7	E331 F332 F333 P337 K338	E331-R335 PolarHBondContact O-N 3.41Å; E331-R335 IonicContact OE1-CZ 3.18Å; E331-R335 IonicContact OE1-NH1 2.71Å; E331-R335 PolarHBondContact OE1-NH1 2.82Å; E331-R335 IonicContact OE1-NH2 2.71Å; E331-R335 PolarHBondContact OE1-NH2 3.41Å; F332-R335 WeakPolarHBondContact O-CA 3.34Å; F332-R335 PolarHBondContact O-N 3.18Å; F333-R335 VanDerWaalsContact C-N 3.28Å; F333-R335 PolarHBondContact O-N 3.46Å; R335-P337 VanDerWaalsContact O-N 3.16Å; R335-K338 PolarHBondContact O-N 3.13Å
336	L	96.3	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-47.5	-40.9	-174	-176.3	63	0	0	0	115.4	L318 F332 F333 K338 V339 I340 F343 I356	L318-L336 HydrophobicContact CD1-CD1 4.39Å; L318-L336 HydrophobicContact CD1-CD2 4.49Å; L318-L336 HydrophobicContact CD2-CD2 4.02Å; L318-L336 HydrophobicContact CG-CD2 4.49Å; F332-L336 HydrophobicContact CE1-CD2 4.19Å; F332-L336 HydrophobicContact CZ-CD1 4.4Å; F332-L336 PolarHBondContact O-N 3.47Å; F333-L336 HydrophobicContact CD1-CD2 3.98Å; F333-L336 HydrophobicContact CE1-CD2 4.21Å; L336-K338 PolarHBondContact O-N 3.29Å; L336-V339 WeakPolarHBondContact O-CA 3.34Å; L336-V339 PolarHBondContact O-N 3.41Å; L336-I340 HydrophobicContact CD1-CD1 4.2Å; L336-I340 HydrophobicContact CG-CD1 4.05Å; L336-I340 HydrophobicContact CG-CG1 4.29Å; L336-I340 PolarHBondContact O-N 3.46Å; L336-I340 VanDerWaalsContact O-N 3.1Å; L336-F343 HydrophobicContact CD1-CE2 4.48Å; L336-I356 HydrophobicContact CD2-CD1 4.07Å; L336-I356 HydrophobicContact CD2-CG1 4.34Å
337	P	96.4	Very high	93.9	Very high	12 Å²	12	51.4 Å²	51.4	8%	0.078	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-55.2	-27.8	178.5	-27.4	33.2	0	0	0	114.6	F333 R335 V339 P341 P372 S373	F333-P337 WeakPolarHBondContact O-CD 3.41Å; R335-P337 VanDerWaalsContact O-N 3.16Å; P337-V339 VanDerWaalsContact C-N 3.27Å; P337-V339 PolarHBondContact O-N 2.61Å; P337-P341 WeakPolarHBondContact O-CD 3.42Å; P337-P372 HydrophobicContact CG-CB 3.86Å; P337-S373 WeakPolarHBondContact CD-OG 3.44Å
338	K	95.5	Very high	94	Very high	67 Å²	67	46.3 Å²	46.3	29%	0.291	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-74.7	-17.6	176.8	-63.8	-174.7	176.9	-176	0	113.2	R335 L336 L673	R335-K338 PolarHBondContact O-N 3.13Å; L336-K338 PolarHBondContact O-N 3.29Å; K338-L673 VanDerWaalsContact CE-O 3.24Å; K338-L673 WeakPolarHBondContact CE-O 3.26Å; K338-L673 HydrophobicContact CG-CB 4.32Å; K338-L673 HydrophobicContact CG-CD1 4.34Å
339	V	96.1	Very high	94	Very high	13 Å²	13	42 Å²	42	8%	0.079	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-25.2	-177.6	-173.5	0	0	0	0	112	P310 V311 L336 P337 P341 L342 F343	P310-V339 HydrophobicContact CB-CG1 4.11Å; P310-V339 HydrophobicContact CB-CG2 3.83Å; V311-V339 HydrophobicContact CG1-CG1 3.9Å; L336-V339 WeakPolarHBondContact O-CA 3.34Å; L336-V339 PolarHBondContact O-N 3.41Å; P337-V339 VanDerWaalsContact C-N 3.27Å; P337-V339 PolarHBondContact O-N 2.61Å; V339-P341 VanDerWaalsContact C-N 3.29Å; V339-P341 VanDerWaalsContact O-N 3.15Å; V339-L342 HydrophobicContact CG1-CD1 4.46Å; V339-L342 WeakPolarHBondContact O-CA 3.39Å; V339-L342 WeakPolarHBondContact O-CB 3.38Å; V339-L342 PolarHBondContact O-N 2.89Å; V339-F343 HydrophobicContact CG1-CD2 4.43Å; V339-F343 HydrophobicContact CG1-CE2 3.84Å; V339-F343 HydrophobicContact CG1-CZ 4.1Å; V339-F343 PolarHBondContact O-N 3.45Å
340	I	96.4	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-44.9	-43.2	173.6	-66.5	-59.4	0	0	0	114.3	L336 L342 R348 I352 I356 T376 M377	L336-I340 HydrophobicContact CD1-CD1 4.2Å; L336-I340 HydrophobicContact CG-CD1 4.05Å; L336-I340 HydrophobicContact CG-CG1 4.29Å; L336-I340 PolarHBondContact O-N 3.46Å; L336-I340 VanDerWaalsContact O-N 3.1Å; I340-L342 PolarHBondContact O-N 2.97Å; I340-R348 PolarHBondContact O-NE 3.21Å; I340-I352 HydrophobicContact CD1-CG2 3.97Å; I340-I356 HydrophobicContact CD1-CD1 3.75Å; I340-T376 HydrophobicContact CB-CG2 4.13Å; I340-T376 HydrophobicContact CG2-CG2 4.05Å; I340-M377 HydrophobicContact CD1-CG 4.33Å; I340-M377 HydrophobicContact CG2-CB 4.3Å; I340-M377 HydrophobicContact CG2-CG 3.42Å; I340-M377 VanDerWaalsContact CG2-CG 3.42Å
341	P	95.5	Very high	93.5	Very high	17 Å²	17	45.5 Å²	45.5	11%	0.11	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-73.3	-9.7	178.2	-15.1	30.5	0	0	0	115	P337 V339 T376 V380 L669	P337-P341 WeakPolarHBondContact O-CD 3.42Å; V339-P341 VanDerWaalsContact C-N 3.29Å; V339-P341 VanDerWaalsContact O-N 3.15Å; P341-T376 HydrophobicContact CG-CG2 4.02Å; P341-V380 HydrophobicContact CB-CG1 4.36Å; P341-V380 HydrophobicContact CB-CG2 4.11Å; P341-V380 HydrophobicContact CG-CG2 4.13Å; P341-L669 HydrophobicContact CB-CD2 4.09Å; P341-L669 HydrophobicContact CG-CD2 3.74Å
342	L	95.1	Very high	93.5	Very high	85 Å²	85	41.2 Å²	41.2	45%	0.445	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-94	-22.2	-177.9	-53.1	-179	0	0	0	112.7	P310 V311 V339 I340	P310-L342 HydrophobicContact CB-CD1 4.49Å; V311-L342 HydrophobicContact CG1-CB 3.7Å; V339-L342 HydrophobicContact CG1-CD1 4.46Å; V339-L342 WeakPolarHBondContact O-CA 3.39Å; V339-L342 WeakPolarHBondContact O-CB 3.38Å; V339-L342 PolarHBondContact O-N 2.89Å; I340-L342 PolarHBondContact O-N 2.97Å
343	F	94.3	Very high	93.5	Very high	5 Å²	5	40 Å²	40	2%	0.022	20%	0.198	C	C	.	.	S	Bend	trans	-69.5	138.2	170.5	-65.7	-70.6	0	0	0	110.7	L136 V311 L336 V339 V347 R348 I352	L136-F343 HydrophobicContact CD2-CD1 4.02Å; L136-F343 HydrophobicContact CD2-CE1 3.84Å; V311-F343 HydrophobicContact CB-CD1 3.96Å; V311-F343 HydrophobicContact CB-CE1 3.68Å; V311-F343 HydrophobicContact CB-CZ 4.33Å; V311-F343 HydrophobicContact CG1-CD1 3.89Å; V311-F343 HydrophobicContact CG1-CE1 3.98Å; V311-F343 HydrophobicContact CG1-CG 4.31Å; V311-F343 HydrophobicContact CG1-CZ 4.46Å; V311-F343 WeakPolarHBondContact O-CE1 3.36Å; L336-F343 HydrophobicContact CD1-CE2 4.48Å; V339-F343 HydrophobicContact CG1-CD2 4.43Å; V339-F343 HydrophobicContact CG1-CE2 3.84Å; V339-F343 HydrophobicContact CG1-CZ 4.1Å; V339-F343 PolarHBondContact O-N 3.45Å; F343-V347 HydrophobicContact CB-CG1 4.41Å; F343-V347 HydrophobicContact CD1-CG1 3.87Å; F343-V347 HydrophobicContact CG-CG1 4.46Å; F343-R348 HydrophobicContact CB-CB 4.15Å; F343-R348 HydrophobicContact CB-CG 4.36Å; F343-R348 PolarHBondContact O-NE 3.18Å; F343-R348 PolarHBondContact O-NH2 3.43Å; F343-I352 HydrophobicContact CD1-CD1 4.24Å; F343-I352 HydrophobicContact CD1-CG1 4.18Å; F343-I352 HydrophobicContact CD2-CD1 4.47Å; F343-I352 HydrophobicContact CD2-CG1 4.06Å; F343-I352 HydrophobicContact CE1-CD1 3.83Å; F343-I352 HydrophobicContact CE1-CG1 4.25Å; F343-I352 HydrophobicContact CE2-CD1 4.1Å; F343-I352 HydrophobicContact CE2-CG1 4.14Å; F343-I352 HydrophobicContact CE2-CG2 4.44Å; F343-I352 HydrophobicContact CG-CG1 4.08Å; F343-I352 HydrophobicContact CZ-CD1 3.75Å; F343-I352 HydrophobicContact CZ-CG1 4.23Å
344	E	91.6	Very high	93.4	Very high	110 Å²	110	43.2 Å²	43.2	51%	0.514	22%	0.219	S	C	.	.			trans	-58.6	149	169.9	-56.7	-168.1	129.4	0	0	111.4	N346 V347 R348	E344-N346 VanDerWaalsContact C-N 3.35Å; E344-N346 PolarHBondContact O-N 2.77Å; E344-V347 HydrophobicContact CB-CB 4.47Å; E344-V347 HydrophobicContact CB-CG2 4.34Å; E344-V347 PolarHBondContact O-N 2.88Å; E344-V347 VanDerWaalsContact O-N 3.14Å; E344-R348 VanDerWaalsContact O-CB 3.3Å; E344-R348 WeakPolarHBondContact O-CB 3.35Å; E344-R348 PolarHBondContact O-N 3.11Å
345	P	91.1	Very high	93.4	Very high	62 Å²	62	43.3 Å²	43.3	40%	0.403	21%	0.214	S	C	.	.	H	α-helix	trans	-51.8	-48.6	-178.8	-27.7	35.6	0	0	0	113.5	V347 R348 Y349	P345-V347 PolarHBondContact O-N 3.26Å; P345-R348 WeakPolarHBondContact O-CB 3.16Å; P345-R348 PolarHBondContact O-N 3.46Å; P345-R348 VanDerWaalsContact O-N 3.16Å; P345-Y349 HydrophobicContact CB-CD2 4.33Å; P345-Y349 HydrophobicContact CB-CE2 4.09Å; P345-Y349 WeakPolarHBondContact O-CD2 3.1Å; P345-Y349 PolarHBondContact O-N 3.01Å
346	N	87.8	Confident	93.4	Very high	130 Å²	130	37.3 Å²	37.3	70%	0.695	19%	0.191	S	C	*	.	H	α-helix	trans	-55.3	-49.1	178.3	-71.2	-24.8	0	0	0	112.3	E344 K350	E344-N346 VanDerWaalsContact C-N 3.35Å; E344-N346 PolarHBondContact O-N 2.77Å; N346-K350 WeakPolarHBondContact O-CB 3.26Å; N346-K350 PolarHBondContact O-N 2.88Å
347	V	90.6	Very high	93.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-45.2	177.5	174.1	0	0	0	0	110.9	C134 L136 F343 E344 P345 Y349 Y351 I352	C134-V347 HydrophobicContact CB-CG2 4.2Å; L136-V347 HydrophobicContact CD2-CG1 3.62Å; F343-V347 HydrophobicContact CB-CG1 4.41Å; F343-V347 HydrophobicContact CD1-CG1 3.87Å; F343-V347 HydrophobicContact CG-CG1 4.46Å; E344-V347 HydrophobicContact CB-CB 4.47Å; E344-V347 HydrophobicContact CB-CG2 4.34Å; E344-V347 PolarHBondContact O-N 2.88Å; E344-V347 VanDerWaalsContact O-N 3.14Å; P345-V347 PolarHBondContact O-N 3.26Å; V347-Y349 PolarHBondContact O-N 2.96Å; V347-Y351 HydrophobicContact CG1-CD2 4.35Å; V347-Y351 HydrophobicContact CG2-CD2 4.48Å; V347-Y351 WeakPolarHBondContact O-CB 3.44Å; V347-Y351 PolarHBondContact O-N 3.45Å; V347-I352 HydrophobicContact CG1-CD1 4.49Å; V347-I352 HydrophobicContact CG1-CG1 4.14Å; V347-I352 PolarHBondContact O-N 2.8Å
348	R	94.5	Very high	93.2	Very high	13 Å²	13	42.3 Å²	42.3	5%	0.049	21%	0.214	C	C	.	.	I	π-helix	trans	-58.8	-46.7	-177.3	-157.7	-165.1	-60.1	137	5.6	111.2	I340 F343 E344 P345 I352 L353 M377	I340-R348 PolarHBondContact O-NE 3.21Å; F343-R348 HydrophobicContact CB-CB 4.15Å; F343-R348 HydrophobicContact CB-CG 4.36Å; F343-R348 PolarHBondContact O-NE 3.18Å; F343-R348 PolarHBondContact O-NH2 3.43Å; E344-R348 VanDerWaalsContact O-CB 3.3Å; E344-R348 WeakPolarHBondContact O-CB 3.35Å; E344-R348 PolarHBondContact O-N 3.11Å; P345-R348 WeakPolarHBondContact O-CB 3.16Å; P345-R348 PolarHBondContact O-N 3.46Å; P345-R348 VanDerWaalsContact O-N 3.16Å; R348-I352 WeakPolarHBondContact O-CB 3.47Å; R348-I352 PolarHBondContact O-N 3.01Å; R348-L353 WeakPolarHBondContact O-CB 3.49Å; R348-L353 PolarHBondContact O-N 3.39Å; R348-M377 HydrophobicContact CG-CE 3.68Å; R348-M377 HydrophobicContact CG-CG 4.44Å; R348-M377 HydrophobicContact CG-SD 4.46Å; R348-M377 WeakPolarHBondContact O-CE 3.43Å
349	Y	93.5	Very high	93.1	Very high	9 Å²	9	41 Å²	41	4%	0.035	21%	0.207	C	C	.	.	I	π-helix	trans	-90.7	-34.5	-176.5	-54.5	-60.5	0	0	0	114.1	P345 V347 L353 M377 A381 D385 Y389 L390	P345-Y349 HydrophobicContact CB-CD2 4.33Å; P345-Y349 HydrophobicContact CB-CE2 4.09Å; P345-Y349 WeakPolarHBondContact O-CD2 3.1Å; P345-Y349 PolarHBondContact O-N 3.01Å; V347-Y349 PolarHBondContact O-N 2.96Å; Y349-L353 HydrophobicContact CD1-CD2 4.3Å; Y349-M377 HydrophobicContact CD1-CE 3.51Å; Y349-M377 HydrophobicContact CE1-CE 3.51Å; Y349-A381 WeakPolarHBondContact OH-CA 3.37Å; Y349-D385 HydrophobicContact CD2-CB 4.33Å; Y349-D385 HydrophobicContact CE2-CB 3.75Å; Y349-D385 VanDerWaalsContact CE2-OD2 3.25Å; Y349-D385 WeakPolarHBondContact CE2-OD2 3.27Å; Y349-Y389 HydrophobicContact CD1-CD2 4.09Å; Y349-Y389 HydrophobicContact CD1-CG 4.36Å; Y349-Y389 HydrophobicContact CD2-CD2 4.05Å; Y349-Y389 HydrophobicContact CD2-CE2 4.15Å; Y349-Y389 AromaticContact CG-CD2 3.68Å; Y349-Y389 HydrophobicContact CG-CD2 3.68Å; Y349-Y389 HydrophobicContact CG-CE2 4.05Å; Y349-Y389 HydrophobicContact CG-CG 4.21Å; Y349-L390 HydrophobicContact CE1-CD1 4.08Å; Y349-L390 HydrophobicContact CE1-CD2 4.3Å; Y349-L390 HydrophobicContact CE1-CG 4.37Å
350	K	88.8	Confident	92.9	Very high	118 Å²	118	40.6 Å²	40.6	51%	0.513	21%	0.205	S	C	.	.	I	π-helix	trans	-78.3	-31.8	179.8	-164	177.6	-178.4	177.9	0	113.1	D130 N346	D130-K350 IonicContact OD2-NZ 2.91Å; N346-K350 WeakPolarHBondContact O-CB 3.26Å; N346-K350 PolarHBondContact O-N 2.88Å
351	Y	87.4	Confident	92.7	Very high	39 Å²	39	44.2 Å²	44.2	15%	0.153	22%	0.219	C	C	.	.	I	π-helix	trans	-123.7	-42.9	-170.7	-53.8	-42.9	0	0	0	114.6	E137 V347 I355	E137-Y351 VanDerWaalsContact CD-CE2 3.43Å; E137-Y351 VanDerWaalsContact CD-OH 3.29Å; E137-Y351 HydrophobicContact CG-CE2 4.18Å; E137-Y351 PolarHBondContact OE1-OH 3.26Å; E137-Y351 VanDerWaalsContact OE2-CE2 3.26Å; E137-Y351 WeakPolarHBondContact OE2-CE2 3.32Å; E137-Y351 VanDerWaalsContact OE2-CZ 3.32Å; E137-Y351 PolarHBondContact OE2-OH 2.78Å; V347-Y351 HydrophobicContact CG1-CD2 4.35Å; V347-Y351 HydrophobicContact CG2-CD2 4.48Å; V347-Y351 WeakPolarHBondContact O-CB 3.44Å; V347-Y351 PolarHBondContact O-N 3.45Å; Y351-I355 WeakPolarHBondContact O-CD1 3.33Å; Y351-I355 WeakPolarHBondContact O-CG1 3.5Å
352	I	94.2	Very high	92.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-78.4	-43.2	-177.2	-52.2	-61.5	0	0	0	111.5	Y315 L318 I340 F343 V347 R348 I355 I356	Y315-I352 HydrophobicContact CD2-CD1 3.43Å; Y315-I352 VanDerWaalsContact CD2-CD1 3.43Å; Y315-I352 HydrophobicContact CE2-CD1 3.76Å; Y315-I352 HydrophobicContact CG-CD1 4.44Å; L318-I352 HydrophobicContact CD1-CD1 3.96Å; L318-I352 HydrophobicContact CD1-CG2 3.99Å; I340-I352 HydrophobicContact CD1-CG2 3.97Å; F343-I352 HydrophobicContact CD1-CD1 4.24Å; F343-I352 HydrophobicContact CD1-CG1 4.18Å; F343-I352 HydrophobicContact CD2-CD1 4.47Å; F343-I352 HydrophobicContact CD2-CG1 4.06Å; F343-I352 HydrophobicContact CE1-CD1 3.83Å; F343-I352 HydrophobicContact CE1-CG1 4.25Å; F343-I352 HydrophobicContact CE2-CD1 4.1Å; F343-I352 HydrophobicContact CE2-CG1 4.14Å; F343-I352 HydrophobicContact CE2-CG2 4.44Å; F343-I352 HydrophobicContact CG-CG1 4.08Å; F343-I352 HydrophobicContact CZ-CD1 3.75Å; F343-I352 HydrophobicContact CZ-CG1 4.23Å; V347-I352 HydrophobicContact CG1-CD1 4.49Å; V347-I352 HydrophobicContact CG1-CG1 4.14Å; V347-I352 PolarHBondContact O-N 2.8Å; R348-I352 WeakPolarHBondContact O-CB 3.47Å; R348-I352 PolarHBondContact O-N 3.01Å; I352-I355 PolarHBondContact O-N 2.95Å; I352-I356 HydrophobicContact CG2-CD1 3.68Å; I352-I356 HydrophobicContact CG2-CG1 4.31Å; I352-I356 WeakPolarHBondContact O-CG1 3.41Å; I352-I356 PolarHBondContact O-N 3.47Å; I352-I356 VanDerWaalsContact O-N 3.08Å
353	L	95.3	Very high	92.1	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-47.6	-178.8	-179.1	62	0	0	0	113.7	R348 Y349 I355 I356 L357 F374 M377 Y389 L390	R348-L353 WeakPolarHBondContact O-CB 3.49Å; R348-L353 PolarHBondContact O-N 3.39Å; Y349-L353 HydrophobicContact CD1-CD2 4.3Å; L353-I355 VanDerWaalsContact C-N 3.28Å; L353-I355 PolarHBondContact O-N 2.85Å; L353-I356 PolarHBondContact O-N 3.5Å; L353-I356 VanDerWaalsContact O-N 3.14Å; L353-L357 HydrophobicContact CD1-CD1 3.84Å; L353-L357 HydrophobicContact CD1-CD2 4.19Å; L353-L357 HydrophobicContact CD1-CG 3.72Å; L353-L357 HydrophobicContact CD2-CD1 4.28Å; L353-L357 HydrophobicContact CG-CD1 3.71Å; L353-L357 HydrophobicContact CG-CG 4.07Å; L353-L357 WeakPolarHBondContact O-CG 3.32Å; L353-L357 PolarHBondContact O-N 3.27Å; L353-F374 HydrophobicContact CD1-CD2 3.96Å; L353-F374 HydrophobicContact CD1-CE2 4.1Å; L353-M377 HydrophobicContact CB-CE 3.66Å; L353-M377 HydrophobicContact CB-SD 4.28Å; L353-M377 HydrophobicContact CD1-CE 3.88Å; L353-M377 HydrophobicContact CD1-SD 3.91Å; L353-M377 HydrophobicContact CD2-CE 4.4Å; L353-M377 HydrophobicContact CG-CE 4.17Å; L353-Y389 WeakPolarHBondContact CD2-O 3.1Å; L353-L390 HydrophobicContact CD1-CD2 3.87Å; L353-L390 HydrophobicContact CD2-CD2 3.8Å
354	P	93.6	Very high	91.6	Very high	67 Å²	67	52.7 Å²	52.7	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-39.4	-179.1	-25.5	36.6	0	0	0	112.6	L357 Q358	P354-L357 PolarHBondContact O-N 2.88Å; P354-Q358 WeakPolarHBondContact O-CB 3.38Å; P354-Q358 PolarHBondContact O-N 3.24Å
355	I	92.8	Very high	91.3	Very high	26 Å²	26	53.6 Å²	53.6	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-46.1	176.3	-56.1	170.4	0	0	0	110.2	Y315 L318 L319 Y351 I352 L353 L357 Q358 W359	Y315-I355 HydrophobicContact CE2-CD1 4.44Å; L318-I355 HydrophobicContact CB-CD1 4.49Å; L318-I355 HydrophobicContact CB-CG2 4.29Å; L318-I355 HydrophobicContact CD2-CG2 3.9Å; L319-I355 HydrophobicContact CD2-CD1 3.97Å; Y351-I355 WeakPolarHBondContact O-CD1 3.33Å; Y351-I355 WeakPolarHBondContact O-CG1 3.5Å; I352-I355 PolarHBondContact O-N 2.95Å; L353-I355 VanDerWaalsContact C-N 3.28Å; L353-I355 PolarHBondContact O-N 2.85Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 3.43Å; I355-Q358 PolarHBondContact O-N 2.93Å; I355-W359 VanDerWaalsContact O-CD1 3.25Å; I355-W359 PolarHBondContact O-N 3.11Å
356	I	95.5	Very high	91.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-41.4	177.5	-71.2	176.2	0	0	0	111.7	L336 I340 I352 L353 W359 L360 I370 F374 M377	L336-I356 HydrophobicContact CD2-CD1 4.07Å; L336-I356 HydrophobicContact CD2-CG1 4.34Å; I340-I356 HydrophobicContact CD1-CD1 3.75Å; I352-I356 HydrophobicContact CG2-CD1 3.68Å; I352-I356 HydrophobicContact CG2-CG1 4.31Å; I352-I356 WeakPolarHBondContact O-CG1 3.41Å; I352-I356 PolarHBondContact O-N 3.47Å; I352-I356 VanDerWaalsContact O-N 3.08Å; L353-I356 PolarHBondContact O-N 3.5Å; L353-I356 VanDerWaalsContact O-N 3.14Å; I356-W359 PolarHBondContact O-N 2.96Å; I356-L360 HydrophobicContact CG2-CD1 3.94Å; I356-L360 HydrophobicContact CG2-CG 4.49Å; I356-L360 WeakPolarHBondContact O-CB 3.3Å; I356-L360 WeakPolarHBondContact O-CG 3.27Å; I356-L360 PolarHBondContact O-N 3.45Å; I356-I370 HydrophobicContact CG2-CG2 4.01Å; I356-F374 HydrophobicContact CG2-CB 4.1Å; I356-M377 HydrophobicContact CD1-SD 4.04Å
357	L	94.8	Very high	91.6	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-39.6	177.4	-70.2	174.1	0	0	0	112.2	L353 P354 I355 L360 Y361 F374 H393	L353-L357 HydrophobicContact CD1-CD1 3.84Å; L353-L357 HydrophobicContact CD1-CD2 4.19Å; L353-L357 HydrophobicContact CD1-CG 3.72Å; L353-L357 HydrophobicContact CD2-CD1 4.28Å; L353-L357 HydrophobicContact CG-CD1 3.71Å; L353-L357 HydrophobicContact CG-CG 4.07Å; L353-L357 WeakPolarHBondContact O-CG 3.32Å; L353-L357 PolarHBondContact O-N 3.27Å; P354-L357 PolarHBondContact O-N 2.88Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 3.43Å; L357-L360 HydrophobicContact CD2-CD1 4.42Å; L357-L360 PolarHBondContact O-N 3.34Å; L357-Y361 HydrophobicContact CB-CE2 4.2Å; L357-Y361 HydrophobicContact CD2-CE2 4.17Å; L357-Y361 WeakPolarHBondContact O-CD2 3.42Å; L357-Y361 PolarHBondContact O-N 2.96Å; L357-F374 HydrophobicContact CD2-CD2 4.27Å; L357-F374 HydrophobicContact CD2-CE2 4.11Å; L357-H393 HydrophobicContact CD2-CB 3.82Å
358	Q	93.1	Very high	91.7	Very high	99 Å²	99	47.1 Å²	47.1	46%	0.463	23%	0.234	S	C	.	.	H	α-helix	trans	-57.1	-54.3	173	-174.1	-172.4	-10.5	0	0	110.5	P354 I355 L360 Y361 E362	P354-Q358 WeakPolarHBondContact O-CB 3.38Å; P354-Q358 PolarHBondContact O-N 3.24Å; I355-Q358 PolarHBondContact O-N 2.93Å; Q358-L360 VanDerWaalsContact C-N 3.28Å; Q358-L360 PolarHBondContact O-N 3.31Å; Q358-Y361 PolarHBondContact O-N 2.89Å; Q358-Y361 VanDerWaalsContact O-N 3.17Å; Q358-E362 HydrophobicContact CG-CG 4.24Å; Q358-E362 VanDerWaalsContact CG-OE1 3.28Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.25Å; Q358-E362 VanDerWaalsContact CG-OE2 3.31Å; Q358-E362 WeakPolarHBondContact CG-OE2 3.46Å; Q358-E362 PolarHBondContact NE2-OE1 3.05Å; Q358-E362 PolarHBondContact NE2-OE2 2.9Å; Q358-E362 WeakPolarHBondContact O-CB 3.4Å; Q358-E362 WeakPolarHBondContact O-CG 3.42Å; Q358-E362 PolarHBondContact O-N 2.86Å
359	W	93.1	Very high	91.6	Very high	38 Å²	38	50.4 Å²	50.4	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-35	178.1	-79.3	98.6	0	0	0	112.8	L321 K329 F333 I355 I356 S363 L366 I370	L321-W359 HydrophobicContact CB-CZ2 3.83Å; L321-W359 HydrophobicContact CD2-CZ2 4.07Å; L321-W359 HydrophobicContact CG-CH2 4.41Å; L321-W359 HydrophobicContact CG-CZ2 4.02Å; K329-W359 HydrophobicContact CD-CH2 4.24Å; K329-W359 HydrophobicContact CD-CZ3 4.25Å; F333-W359 HydrophobicContact CE2-CD2 4.18Å; F333-W359 HydrophobicContact CE2-CE3 4.19Å; F333-W359 HydrophobicContact CE2-CG 4.38Å; F333-W359 HydrophobicContact CZ-CB 3.98Å; F333-W359 AromaticContact CZ-CD2 3.87Å; F333-W359 HydrophobicContact CZ-CD2 3.87Å; F333-W359 HydrophobicContact CZ-CE3 4.34Å; F333-W359 AromaticContact CZ-CG 3.68Å; F333-W359 HydrophobicContact CZ-CG 3.68Å; I355-W359 VanDerWaalsContact O-CD1 3.25Å; I355-W359 PolarHBondContact O-N 3.11Å; I356-W359 PolarHBondContact O-N 2.96Å; W359-S363 WeakPolarHBondContact O-CB 3.02Å; W359-S363 PolarHBondContact O-N 2.84Å; W359-S363 VanDerWaalsContact O-N 3.12Å; W359-L366 HydrophobicContact CE3-CD1 4.17Å; W359-L366 HydrophobicContact CZ3-CD1 4.08Å; W359-I370 HydrophobicContact CB-CD1 3.8Å; W359-I370 HydrophobicContact CB-CG1 4.46Å; W359-I370 WeakPolarHBondContact O-CD1 3.35Å
360	L	92.6	Very high	91.7	Very high	6 Å²	6	50 Å²	50	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-35.5	176.3	-80.3	168.5	0	0	0	113.7	I356 L357 Q358 I367 I370 L371 F374 I397	I356-L360 HydrophobicContact CG2-CD1 3.94Å; I356-L360 HydrophobicContact CG2-CG 4.49Å; I356-L360 WeakPolarHBondContact O-CB 3.3Å; I356-L360 WeakPolarHBondContact O-CG 3.27Å; I356-L360 PolarHBondContact O-N 3.45Å; L357-L360 HydrophobicContact CD2-CD1 4.42Å; L357-L360 PolarHBondContact O-N 3.34Å; Q358-L360 VanDerWaalsContact C-N 3.28Å; Q358-L360 PolarHBondContact O-N 3.31Å; L360-I367 HydrophobicContact CD2-CG2 4.23Å; L360-I370 HydrophobicContact CD1-CG2 4.42Å; L360-I370 HydrophobicContact CD2-CB 3.83Å; L360-I370 HydrophobicContact CD2-CG2 3.83Å; L360-I370 HydrophobicContact CG-CB 4.24Å; L360-I370 HydrophobicContact CG-CG2 3.68Å; L360-L371 HydrophobicContact CD2-CB 4.29Å; L360-F374 HydrophobicContact CD1-CB 3.88Å; L360-F374 HydrophobicContact CD1-CD2 4.47Å; L360-F374 HydrophobicContact CD1-CG 4.1Å; L360-I397 HydrophobicContact CD1-CD1 4.13Å
361	Y	91.3	Very high	92	Very high	75 Å²	75	44.3 Å²	44.3	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-92.8	-22.3	-178.3	-61.3	-44.8	0	0	0	113.9	L357 Q358 H393 K396	L357-Y361 HydrophobicContact CB-CE2 4.2Å; L357-Y361 HydrophobicContact CD2-CE2 4.17Å; L357-Y361 WeakPolarHBondContact O-CD2 3.42Å; L357-Y361 PolarHBondContact O-N 2.96Å; Q358-Y361 PolarHBondContact O-N 2.89Å; Q358-Y361 VanDerWaalsContact O-N 3.17Å; Y361-H393 AromaticContact CE2-ND1 3.85Å; Y361-H393 AromaticContact CZ-ND1 3.81Å; Y361-H393 PolarHBondContact OH-ND1 3.17Å; Y361-K396 VanDerWaalsContact CD1-NZ 3.33Å; Y361-K396 HydrophobicContact CE1-CD 3.75Å; Y361-K396 VanDerWaalsContact CE1-NZ 3.26Å
362	E	89.4	Confident	92.5	Very high	130 Å²	130	43.8 Å²	43.8	61%	0.607	22%	0.221	S	C	*	.	H	α-helix	trans	-95.9	-26.6	-179.8	-66.9	176.7	-177.8	0	0	113.7	Q358	Q358-E362 HydrophobicContact CG-CG 4.24Å; Q358-E362 VanDerWaalsContact CG-OE1 3.28Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.25Å; Q358-E362 VanDerWaalsContact CG-OE2 3.31Å; Q358-E362 WeakPolarHBondContact CG-OE2 3.46Å; Q358-E362 PolarHBondContact NE2-OE1 3.05Å; Q358-E362 PolarHBondContact NE2-OE2 2.9Å; Q358-E362 WeakPolarHBondContact O-CB 3.4Å; Q358-E362 WeakPolarHBondContact O-CG 3.42Å; Q358-E362 PolarHBondContact O-N 2.86Å
363	S	87.9	Confident	92.6	Very high	29 Å²	29	43.8 Å²	43.8	20%	0.203	22%	0.221	C	C	.	.			trans	-116.9	76	-170.7	-64.9	0	0	0	0	114.3	W359 D365 L366 I367	W359-S363 WeakPolarHBondContact O-CB 3.02Å; W359-S363 PolarHBondContact O-N 2.84Å; W359-S363 VanDerWaalsContact O-N 3.12Å; S363-D365 VanDerWaalsContact C-N 3.29Å; S363-D365 PolarHBondContact O-N 2.77Å; S363-D365 VanDerWaalsContact O-N 3.17Å; S363-L366 PolarHBondContact O-N 3.33Å; S363-I367 PolarHBondContact O-N 3.14Å
364	N	85.1	Confident	92.7	Very high	127 Å²	127	43.4 Å²	43.4	68%	0.679	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-46.1	-45.9	178.3	-71.9	-30.7	0	0	0	114.2	L366 I367	N364-L366 PolarHBondContact O-N 2.98Å; N364-L366 VanDerWaalsContact O-N 3.13Å; N364-I367 PolarHBondContact O-N 2.68Å
365	D	85.2	Confident	92.8	Very high	129 Å²	129	40.3 Å²	40.3	69%	0.69	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-67	-11.3	-179.2	-65.3	-30.7	0	0	0	114.8	S363	S363-D365 VanDerWaalsContact C-N 3.29Å; S363-D365 PolarHBondContact O-N 2.77Å; S363-D365 VanDerWaalsContact O-N 3.17Å
366	L	91.7	Very high	93	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-113.2	-7.3	-176.3	-69	177.5	0	0	0	113.7	L326 K329 K330 F333 W359 S363 N364 S368 Y369 I370	L326-L366 HydrophobicContact CD1-CD1 4.25Å; L326-L366 HydrophobicContact CD1-CD2 3.71Å; L326-L366 HydrophobicContact CD1-CG 4Å; K329-L366 HydrophobicContact CB-CD1 4.03Å; K329-L366 HydrophobicContact CB-CD2 4.4Å; K329-L366 HydrophobicContact CD-CD1 4.24Å; K330-L366 HydrophobicContact CD-CD2 4.34Å; K330-L366 HydrophobicContact CG-CD2 3.5Å; K330-L366 VanDerWaalsContact CG-CD2 3.5Å; F333-L366 HydrophobicContact CE2-CD1 4.43Å; W359-L366 HydrophobicContact CE3-CD1 4.17Å; W359-L366 HydrophobicContact CZ3-CD1 4.08Å; S363-L366 PolarHBondContact O-N 3.33Å; N364-L366 PolarHBondContact O-N 2.98Å; N364-L366 VanDerWaalsContact O-N 3.13Å; L366-S368 VanDerWaalsContact C-N 3.29Å; L366-S368 PolarHBondContact O-N 3.5Å; L366-S368 VanDerWaalsContact O-N 3.17Å; L366-Y369 HydrophobicContact CD2-CD2 4.39Å; L366-Y369 WeakPolarHBondContact O-CA 3.43Å; L366-Y369 WeakPolarHBondContact O-CB 3.28Å; L366-Y369 PolarHBondContact O-N 3.04Å; L366-I370 HydrophobicContact CB-CD1 3.54Å; L366-I370 HydrophobicContact CB-CG1 4.07Å; L366-I370 WeakPolarHBondContact O-CD1 3.42Å; L366-I370 WeakPolarHBondContact O-CG1 3.49Å; L366-I370 PolarHBondContact O-N 3.49Å
367	I	93	Very high	93	Very high	34 Å²	34	39.2 Å²	39.2	17%	0.174	19%	0.194	C	C	.	.	H	α-helix	trans	-51.1	-46.4	-174.7	-65.4	175.1	0	0	0	111.7	L360 S363 N364 Y369 I370 L371 T406	L360-I367 HydrophobicContact CD2-CG2 4.23Å; S363-I367 PolarHBondContact O-N 3.14Å; N364-I367 PolarHBondContact O-N 2.68Å; I367-Y369 PolarHBondContact O-N 2.84Å; I367-I370 PolarHBondContact O-N 3Å; I367-L371 WeakPolarHBondContact O-CB 3.4Å; I367-L371 PolarHBondContact O-N 3.2Å; I367-T406 HydrophobicContact CG2-CG2 3.72Å
368	S	92.5	Very high	93.1	Very high	21 Å²	21	38.3 Å²	38.3	15%	0.147	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-18.8	179.4	56.7	0	0	0	0	114.7	L366 P372	L366-S368 VanDerWaalsContact C-N 3.29Å; L366-S368 PolarHBondContact O-N 3.5Å; L366-S368 VanDerWaalsContact O-N 3.17Å; S368-P372 WeakPolarHBondContact O-CD 3.46Å
369	Y	93.8	Very high	93.1	Very high	81 Å²	81	36.2 Å²	36.2	32%	0.318	18%	0.179	S	C	.	.	H	α-helix	trans	-93.5	-35	175.1	-61.3	-94.3	0	0	0	112.1	K330 F333 L366 I367 P372	K330-Y369 HydrophobicContact CB-CD1 3.73Å; K330-Y369 HydrophobicContact CB-CE1 3.78Å; K330-Y369 HydrophobicContact CB-CG 4.18Å; K330-Y369 HydrophobicContact CD-CD1 4.45Å; K330-Y369 HydrophobicContact CD-CD2 4.26Å; K330-Y369 HydrophobicContact CD-CE1 3.93Å; K330-Y369 HydrophobicContact CD-CE2 3.71Å; K330-Y369 VanDerWaalsContact CE-CE2 3.41Å; K330-Y369 HydrophobicContact CG-CD1 3.82Å; K330-Y369 HydrophobicContact CG-CD2 3.85Å; K330-Y369 HydrophobicContact CG-CE1 3.79Å; K330-Y369 HydrophobicContact CG-CE2 3.82Å; K330-Y369 HydrophobicContact CG-CG 3.85Å; F333-Y369 WeakPolarHBondContact CB-O 3.39Å; L366-Y369 HydrophobicContact CD2-CD2 4.39Å; L366-Y369 WeakPolarHBondContact O-CA 3.43Å; L366-Y369 WeakPolarHBondContact O-CB 3.28Å; L366-Y369 PolarHBondContact O-N 3.04Å; I367-Y369 PolarHBondContact O-N 2.84Å; Y369-P372 WeakPolarHBondContact O-CD 3.28Å
370	I	95.6	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-78.5	-41.6	-179.5	-54.4	153.2	0	0	0	111.1	F333 I356 W359 L360 L366 I367 P372 S373	F333-I370 HydrophobicContact CB-CG1 4.5Å; F333-I370 HydrophobicContact CD1-CB 4.36Å; F333-I370 HydrophobicContact CD1-CG1 3.98Å; F333-I370 HydrophobicContact CD1-CG2 4.21Å; F333-I370 HydrophobicContact CD2-CG1 3.59Å; F333-I370 HydrophobicContact CE1-CG1 4.02Å; F333-I370 HydrophobicContact CE1-CG2 4.1Å; F333-I370 HydrophobicContact CE2-CD1 4.23Å; F333-I370 HydrophobicContact CE2-CG1 3.63Å; F333-I370 HydrophobicContact CG-CB 4.45Å; F333-I370 HydrophobicContact CG-CG1 3.78Å; F333-I370 HydrophobicContact CZ-CD1 4.46Å; F333-I370 HydrophobicContact CZ-CG1 3.85Å; I356-I370 HydrophobicContact CG2-CG2 4.01Å; W359-I370 HydrophobicContact CB-CD1 3.8Å; W359-I370 HydrophobicContact CB-CG1 4.46Å; W359-I370 WeakPolarHBondContact O-CD1 3.35Å; L360-I370 HydrophobicContact CD1-CG2 4.42Å; L360-I370 HydrophobicContact CD2-CB 3.83Å; L360-I370 HydrophobicContact CD2-CG2 3.83Å; L360-I370 HydrophobicContact CG-CB 4.24Å; L360-I370 HydrophobicContact CG-CG2 3.68Å; L366-I370 HydrophobicContact CB-CD1 3.54Å; L366-I370 HydrophobicContact CB-CG1 4.07Å; L366-I370 WeakPolarHBondContact O-CD1 3.42Å; L366-I370 WeakPolarHBondContact O-CG1 3.49Å; L366-I370 PolarHBondContact O-N 3.49Å; I367-I370 PolarHBondContact O-N 3Å; I370-P372 VanDerWaalsContact C-CD 3.43Å; I370-S373 WeakPolarHBondContact O-CA 3.45Å; I370-S373 WeakPolarHBondContact O-CB 3.33Å; I370-S373 PolarHBondContact O-N 3.04Å; I370-S373 PolarHBondContact O-OG 2.66Å
371	L	95	Very high	93.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-52.8	-39.3	-173.9	-179.6	60.1	0	0	0	114.7	L360 I367 S373 F374 L375 I397 T406 V409 I410	L360-L371 HydrophobicContact CD2-CB 4.29Å; I367-L371 WeakPolarHBondContact O-CB 3.4Å; I367-L371 PolarHBondContact O-N 3.2Å; L371-S373 PolarHBondContact O-N 2.92Å; L371-S373 VanDerWaalsContact O-N 3.12Å; L371-F374 HydrophobicContact CD1-CD1 4Å; L371-F374 PolarHBondContact O-N 2.94Å; L371-F374 VanDerWaalsContact O-N 3.09Å; L371-L375 HydrophobicContact CD1-CD1 4.29Å; L371-L375 HydrophobicContact CD1-CD2 4.06Å; L371-L375 HydrophobicContact CD1-CG 3.85Å; L371-L375 HydrophobicContact CD2-CD1 4.5Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.01Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 3.32Å; L371-I397 HydrophobicContact CD1-CD1 4.39Å; L371-I397 HydrophobicContact CD1-CG2 3.97Å; L371-I397 HydrophobicContact CD2-CG2 4.45Å; L371-T406 HydrophobicContact CD2-CG2 4.01Å; L371-V409 HydrophobicContact CB-CG1 4.37Å; L371-V409 HydrophobicContact CD2-CG1 4.13Å; L371-V409 HydrophobicContact CG-CG1 4.26Å; L371-I410 HydrophobicContact CD2-CD1 4.24Å; L371-I410 HydrophobicContact CD2-CG1 3.66Å
372	P	96.4	Very high	93.2	Very high	27 Å²	27	38.7 Å²	38.7	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-53.9	-29.5	171.7	-28.4	36.9	0	0	0	114.5	P337 S368 Y369 I370 T376 V409 L413	P337-P372 HydrophobicContact CG-CB 3.86Å; S368-P372 WeakPolarHBondContact O-CD 3.46Å; Y369-P372 WeakPolarHBondContact O-CD 3.28Å; I370-P372 VanDerWaalsContact C-CD 3.43Å; P372-T376 WeakPolarHBondContact O-CB 3.44Å; P372-T376 PolarHBondContact O-N 2.88Å; P372-T376 PolarHBondContact O-OG1 3.36Å; P372-V409 HydrophobicContact CG-CG1 3.79Å; P372-L413 HydrophobicContact CB-CD1 3.77Å; P372-L413 HydrophobicContact CG-CD1 3.98Å
373	S	96.5	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.2	-47.3	176.3	-53.4	0	0	0	0	110.8	P337 I370 L371 T376 M377	P337-S373 WeakPolarHBondContact CD-OG 3.44Å; I370-S373 WeakPolarHBondContact O-CA 3.45Å; I370-S373 WeakPolarHBondContact O-CB 3.33Å; I370-S373 PolarHBondContact O-N 3.04Å; I370-S373 PolarHBondContact O-OG 2.66Å; L371-S373 PolarHBondContact O-N 2.92Å; L371-S373 VanDerWaalsContact O-N 3.12Å; S373-T376 PolarHBondContact O-N 3.41Å; S373-M377 WeakPolarHBondContact O-CG 3.4Å; S373-M377 PolarHBondContact O-N 2.84Å
374	F	97	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-43.7	176.5	175.1	-101.3	0	0	0	112.5	L353 I356 L357 L360 L371 T376 M377 I378 L390 H393 L394 I397	L353-F374 HydrophobicContact CD1-CD2 3.96Å; L353-F374 HydrophobicContact CD1-CE2 4.1Å; I356-F374 HydrophobicContact CG2-CB 4.1Å; L357-F374 HydrophobicContact CD2-CD2 4.27Å; L357-F374 HydrophobicContact CD2-CE2 4.11Å; L360-F374 HydrophobicContact CD1-CB 3.88Å; L360-F374 HydrophobicContact CD1-CD2 4.47Å; L360-F374 HydrophobicContact CD1-CG 4.1Å; L371-F374 HydrophobicContact CD1-CD1 4Å; L371-F374 PolarHBondContact O-N 2.94Å; L371-F374 VanDerWaalsContact O-N 3.09Å; F374-T376 VanDerWaalsContact C-N 3.26Å; F374-T376 PolarHBondContact O-N 3.47Å; F374-M377 WeakPolarHBondContact O-CA 3.23Å; F374-M377 VanDerWaalsContact O-CB 3.3Å; F374-M377 WeakPolarHBondContact O-CB 3.4Å; F374-M377 PolarHBondContact O-N 3.2Å; F374-I378 HydrophobicContact CD1-CD1 4.02Å; F374-I378 HydrophobicContact CE1-CD1 3.52Å; F374-I378 HydrophobicContact CE1-CG1 4.49Å; F374-I378 HydrophobicContact CZ-CD1 3.91Å; F374-I378 HydrophobicContact CZ-CG1 4.5Å; F374-I378 PolarHBondContact O-N 3.4Å; F374-I378 VanDerWaalsContact O-N 3.16Å; F374-L390 HydrophobicContact CD2-CD2 4.42Å; F374-L390 HydrophobicContact CE2-CD2 3.83Å; F374-H393 HydrophobicContact CE2-CB 3.97Å; F374-H393 HydrophobicContact CZ-CB 3.74Å; F374-L394 HydrophobicContact CE1-CB 4.18Å; F374-L394 HydrophobicContact CE1-CD1 4.33Å; F374-L394 HydrophobicContact CZ-CB 4.28Å; F374-I397 HydrophobicContact CD1-CD1 3.87Å; F374-I397 HydrophobicContact CE1-CD1 3.71Å; F374-I397 HydrophobicContact CZ-CD1 4.27Å
375	L	96.7	Very high	93.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-33.4	174.3	-62.5	-174.5	0	0	0	111.8	L371 M377 I378 K379 L394 L413 F416 F417	L371-L375 HydrophobicContact CD1-CD1 4.29Å; L371-L375 HydrophobicContact CD1-CD2 4.06Å; L371-L375 HydrophobicContact CD1-CG 3.85Å; L371-L375 HydrophobicContact CD2-CD1 4.5Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.01Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 3.32Å; L375-M377 VanDerWaalsContact C-N 3.32Å; L375-I378 HydrophobicContact CD2-CD1 3.93Å; L375-I378 PolarHBondContact O-N 3.25Å; L375-K379 PolarHBondContact O-N 2.73Å; L375-L394 HydrophobicContact CD2-CD1 4.08Å; L375-L413 HydrophobicContact CD1-CB 3.78Å; L375-L413 HydrophobicContact CD1-CD1 4.14Å; L375-F416 HydrophobicContact CB-CB 4.25Å; L375-F416 HydrophobicContact CB-CD2 4.31Å; L375-F417 HydrophobicContact CD1-CD1 4.17Å; L375-F417 HydrophobicContact CD1-CE1 4.03Å; L375-F417 HydrophobicContact CD2-CD1 3.73Å; L375-F417 HydrophobicContact CD2-CE1 4.16Å; L375-F417 HydrophobicContact CD2-CG 4.44Å; L375-F417 HydrophobicContact CG-CD1 4.44Å
376	T	96.6	Very high	94	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-68.6	-29.9	172	-55	0	0	0	0	112.5	I340 P341 P372 S373 F374 K379 V380	I340-T376 HydrophobicContact CB-CG2 4.13Å; I340-T376 HydrophobicContact CG2-CG2 4.05Å; P341-T376 HydrophobicContact CG-CG2 4.02Å; P372-T376 WeakPolarHBondContact O-CB 3.44Å; P372-T376 PolarHBondContact O-N 2.88Å; P372-T376 PolarHBondContact O-OG1 3.36Å; S373-T376 PolarHBondContact O-N 3.41Å; F374-T376 VanDerWaalsContact C-N 3.26Å; F374-T376 PolarHBondContact O-N 3.47Å; T376-K379 PolarHBondContact O-N 2.88Å; T376-V380 HydrophobicContact CG2-CG2 4.44Å; T376-V380 WeakPolarHBondContact O-CG2 3.24Å; T376-V380 PolarHBondContact O-N 3.28Å
377	M	96.2	Very high	94	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-39.4	171.3	-67.8	-173.2	60.7	0	0	112.2	I340 R348 Y349 L353 I356 S373 F374 L375 V380 A381 L390	I340-M377 HydrophobicContact CD1-CG 4.33Å; I340-M377 HydrophobicContact CG2-CB 4.3Å; I340-M377 HydrophobicContact CG2-CG 3.42Å; I340-M377 VanDerWaalsContact CG2-CG 3.42Å; R348-M377 HydrophobicContact CG-CE 3.68Å; R348-M377 HydrophobicContact CG-CG 4.44Å; R348-M377 HydrophobicContact CG-SD 4.46Å; R348-M377 WeakPolarHBondContact O-CE 3.43Å; Y349-M377 HydrophobicContact CD1-CE 3.51Å; Y349-M377 HydrophobicContact CE1-CE 3.51Å; L353-M377 HydrophobicContact CB-CE 3.66Å; L353-M377 HydrophobicContact CB-SD 4.28Å; L353-M377 HydrophobicContact CD1-CE 3.88Å; L353-M377 HydrophobicContact CD1-SD 3.91Å; L353-M377 HydrophobicContact CD2-CE 4.4Å; L353-M377 HydrophobicContact CG-CE 4.17Å; I356-M377 HydrophobicContact CD1-SD 4.04Å; S373-M377 WeakPolarHBondContact O-CG 3.4Å; S373-M377 PolarHBondContact O-N 2.84Å; F374-M377 WeakPolarHBondContact O-CA 3.23Å; F374-M377 VanDerWaalsContact O-CB 3.3Å; F374-M377 WeakPolarHBondContact O-CB 3.4Å; F374-M377 PolarHBondContact O-N 3.2Å; L375-M377 VanDerWaalsContact C-N 3.32Å; M377-V380 PolarHBondContact O-N 2.97Å; M377-A381 PolarHBondContact O-N 3.1Å; M377-A381 VanDerWaalsContact O-N 3.08Å; M377-L390 HydrophobicContact CB-CD1 4.38Å; M377-L390 HydrophobicContact CB-CD2 4.37Å; M377-L390 HydrophobicContact CE-CD2 4.32Å
378	I	96	Very high	94	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-47.7	175.1	-64.5	157.9	0	0	0	110.4	F374 L375 V380 A381 Y386 L390 L394 F417	F374-I378 HydrophobicContact CD1-CD1 4.02Å; F374-I378 HydrophobicContact CE1-CD1 3.52Å; F374-I378 HydrophobicContact CE1-CG1 4.49Å; F374-I378 HydrophobicContact CZ-CD1 3.91Å; F374-I378 HydrophobicContact CZ-CG1 4.5Å; F374-I378 PolarHBondContact O-N 3.4Å; F374-I378 VanDerWaalsContact O-N 3.16Å; L375-I378 HydrophobicContact CD2-CD1 3.93Å; L375-I378 PolarHBondContact O-N 3.25Å; I378-V380 PolarHBondContact O-N 3.2Å; I378-A381 WeakPolarHBondContact O-CB 3.38Å; I378-A381 PolarHBondContact O-N 3.21Å; I378-A381 VanDerWaalsContact O-N 3.09Å; I378-Y386 HydrophobicContact CG1-CD2 4.41Å; I378-Y386 HydrophobicContact CG1-CE2 4.49Å; I378-Y386 HydrophobicContact CG2-CD2 3.96Å; I378-Y386 HydrophobicContact CG2-CE2 4.1Å; I378-L390 HydrophobicContact CB-CD1 4.35Å; I378-L390 HydrophobicContact CG1-CB 4.05Å; I378-L390 HydrophobicContact CG1-CD1 3.79Å; I378-L390 HydrophobicContact CG1-CG 4.42Å; I378-L394 HydrophobicContact CD1-CB 4.14Å; I378-L394 HydrophobicContact CD1-CD1 3.83Å; I378-L394 HydrophobicContact CD1-CD2 3.95Å; I378-L394 HydrophobicContact CD1-CG 4.18Å; I378-F417 HydrophobicContact CD1-CB 4.43Å; I378-F417 HydrophobicContact CG2-CB 3.8Å
379	K	94.8	Very high	94.1	Very high	55 Å²	55	45.1 Å²	45.1	24%	0.239	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-20.7	179.7	-159.8	-174.2	-159.9	89	0	114.5	L375 T376 D415 F416 L669	L375-K379 PolarHBondContact O-N 2.73Å; T376-K379 PolarHBondContact O-N 2.88Å; K379-D415 PolarHBondContact NZ-O 2.73Å; K379-D415 IonicContact NZ-OD1 2.75Å; K379-D415 PolarHBondContact NZ-OD1 2.94Å; K379-D415 IonicContact NZ-OD2 2.98Å; K379-D415 PolarHBondContact NZ-OD2 2.93Å; K379-F416 HydrophobicContact CB-CB 4.05Å; K379-F416 HydrophobicContact CB-CD2 3.8Å; K379-F416 HydrophobicContact CB-CG 4.14Å; K379-F416 HydrophobicContact CD-CB 4.37Å; K379-F416 HydrophobicContact CD-CD1 4.1Å; K379-F416 HydrophobicContact CD-CD2 3.57Å; K379-F416 HydrophobicContact CD-CE1 4.18Å; K379-F416 HydrophobicContact CD-CE2 3.69Å; K379-F416 HydrophobicContact CD-CG 3.75Å; K379-F416 HydrophobicContact CD-CZ 3.97Å; K379-F416 HydrophobicContact CG-CB 4.36Å; K379-F416 HydrophobicContact CG-CD2 4.2Å; K379-F416 HydrophobicContact CG-CG 4.27Å; K379-F416 VanDerWaalsContact NZ-CE1 3.3Å; K379-L669 HydrophobicContact CD-CD1 4.12Å
380	V	94.2	Very high	94.2	Very high	40 Å²	40	41.2 Å²	41.2	24%	0.242	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	1.3	-177.4	-175.6	0	0	0	0	111.9	P341 T376 M377 I378 L669	P341-V380 HydrophobicContact CB-CG1 4.36Å; P341-V380 HydrophobicContact CB-CG2 4.11Å; P341-V380 HydrophobicContact CG-CG2 4.13Å; T376-V380 HydrophobicContact CG2-CG2 4.44Å; T376-V380 WeakPolarHBondContact O-CG2 3.24Å; T376-V380 PolarHBondContact O-N 3.28Å; M377-V380 PolarHBondContact O-N 2.97Å; I378-V380 PolarHBondContact O-N 3.2Å; V380-L669 HydrophobicContact CG2-CD2 4.37Å
381	A	93.4	Very high	94.1	Very high	17 Å²	17	46 Å²	46	14%	0.14	23%	0.227	C	C	.	.			trans	-74.2	139.4	174.3	0	0	0	0	0	111.2	Y349 M377 I378 D385 L390	Y349-A381 WeakPolarHBondContact OH-CA 3.37Å; M377-A381 PolarHBondContact O-N 3.1Å; M377-A381 VanDerWaalsContact O-N 3.08Å; I378-A381 WeakPolarHBondContact O-CB 3.38Å; I378-A381 PolarHBondContact O-N 3.21Å; I378-A381 VanDerWaalsContact O-N 3.09Å; A381-D385 HydrophobicContact CB-CB 4.22Å; A381-L390 HydrophobicContact CB-CD1 3.82Å
382	E	91	Very high	94	Very high	113 Å²	113	49.6 Å²	49.6	53%	0.528	25%	0.253	S	S	.	.			trans	-80.7	156.7	160	-57.4	-175.3	-172.9	0	0	107	D384 D385 Y386 R662	E382-D384 VanDerWaalsContact C-N 3.3Å; E382-D384 PolarHBondContact O-N 3.01Å; E382-D384 VanDerWaalsContact O-N 3.14Å; E382-D385 WeakPolarHBondContact O-CB 3.41Å; E382-D385 PolarHBondContact O-N 2.66Å; E382-Y386 PolarHBondContact O-N 2.7Å; E382-R662 IonicContact OE1-CZ 2.7Å; E382-R662 IonicContact OE1-NH1 2.7Å; E382-R662 PolarHBondContact OE1-NH1 3.29Å; E382-R662 IonicContact OE1-NH2 2.74Å; E382-R662 PolarHBondContact OE1-NH2 2.98Å
383	S	87.9	Confident	93.9	Very high	80 Å²	80	50.9 Å²	50.9	56%	0.559	26%	0.256	S	S	*	.	H	α-helix	trans	-53.2	-44.1	-163.7	-55.7	0	0	0	0	114.1	D385 Y386 D387	S383-D385 VanDerWaalsContact C-N 3.34Å; S383-D385 PolarHBondContact O-N 3.37Å; S383-Y386 WeakPolarHBondContact O-CB 3.41Å; S383-Y386 PolarHBondContact O-N 3.09Å; S383-Y386 VanDerWaalsContact O-N 3.15Å; S383-D387 PolarHBondContact O-N 2.86Å
384	D	90.7	Very high	93.8	Very high	139 Å²	139	51 Å²	51	74%	0.743	26%	0.257	S	S	*	.	H	α-helix	trans	-65.7	-35.5	-177.5	-55	-14.7	0	0	0	112	E382 R388	E382-D384 VanDerWaalsContact C-N 3.3Å; E382-D384 PolarHBondContact O-N 3.01Å; E382-D384 VanDerWaalsContact O-N 3.14Å; D384-R388 WeakPolarHBondContact O-CB 3.4Å; D384-R388 PolarHBondContact O-N 2.76Å
385	D	91.9	Very high	93.6	Very high	35 Å²	35	55.8 Å²	55.8	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-37.7	174.3	-77.7	-35.3	0	0	0	111.3	Y349 A381 E382 S383 Y389	Y349-D385 HydrophobicContact CD2-CB 4.33Å; Y349-D385 HydrophobicContact CE2-CB 3.75Å; Y349-D385 VanDerWaalsContact CE2-OD2 3.25Å; Y349-D385 WeakPolarHBondContact CE2-OD2 3.27Å; A381-D385 HydrophobicContact CB-CB 4.22Å; E382-D385 WeakPolarHBondContact O-CB 3.41Å; E382-D385 PolarHBondContact O-N 2.66Å; S383-D385 VanDerWaalsContact C-N 3.34Å; S383-D385 PolarHBondContact O-N 3.37Å; D385-Y389 HydrophobicContact CB-CD2 4.27Å; D385-Y389 WeakPolarHBondContact O-CB 3.24Å; D385-Y389 WeakPolarHBondContact O-CD2 3.26Å; D385-Y389 PolarHBondContact O-N 2.95Å; D385-Y389 WeakPolarHBondContact OD1-CE2 3.27Å
386	Y	93	Very high	93.4	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-52.2	177.7	168.2	-97.2	0	0	0	111.5	I378 E382 S383 R388 L390 K391 L394 H420	I378-Y386 HydrophobicContact CG1-CD2 4.41Å; I378-Y386 HydrophobicContact CG1-CE2 4.49Å; I378-Y386 HydrophobicContact CG2-CD2 3.96Å; I378-Y386 HydrophobicContact CG2-CE2 4.1Å; E382-Y386 PolarHBondContact O-N 2.7Å; S383-Y386 WeakPolarHBondContact O-CB 3.41Å; S383-Y386 PolarHBondContact O-N 3.09Å; S383-Y386 VanDerWaalsContact O-N 3.15Å; Y386-R388 VanDerWaalsContact C-N 3.3Å; Y386-R388 PolarHBondContact O-N 2.69Å; Y386-L390 HydrophobicContact CD2-CB 3.86Å; Y386-L390 HydrophobicContact CD2-CD1 4.46Å; Y386-L390 HydrophobicContact CE2-CB 4.32Å; Y386-L390 PolarHBondContact O-N 2.92Å; Y386-K391 HydrophobicContact CD1-CB 4.34Å; Y386-K391 HydrophobicContact CE1-CB 3.78Å; Y386-K391 HydrophobicContact CE1-CD 3.87Å; Y386-K391 HydrophobicContact CE1-CG 3.89Å; Y386-K391 HydrophobicContact CE2-CB 4.28Å; Y386-K391 PolarHBondContact O-N 2.96Å; Y386-L394 HydrophobicContact CE2-CD2 3.99Å; Y386-H420 HydrophobicContact CD1-CB 4.21Å; Y386-H420 AromaticContact CD1-ND1 3.37Å; Y386-H420 WeakPolarHBondContact CD1-ND1 3.48Å; Y386-H420 HydrophobicContact CD2-CB 4.44Å; Y386-H420 AromaticContact CD2-ND1 3.85Å; Y386-H420 HydrophobicContact CE1-CB 3.59Å; Y386-H420 AromaticContact CE1-CG 3.98Å; Y386-H420 AromaticContact CE1-ND1 3.71Å; Y386-H420 HydrophobicContact CE2-CB 3.88Å; Y386-H420 AromaticContact CG-CE1 3.95Å; Y386-H420 AromaticContact CG-ND1 3.44Å; Y386-H420 VanDerWaalsContact CZ-CB 3.41Å; Y386-H420 AromaticContact CZ-CG 3.97Å; Y386-H420 PolarHBondContact OH-O 3.36Å
387	D	92.5	Very high	93.1	Very high	90 Å²	90	60.1 Å²	60.1	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-37.3	179.7	-89.9	-71.8	0	0	0	111.9	S383 K391	S383-D387 PolarHBondContact O-N 2.86Å; D387-K391 WeakPolarHBondContact OD1-CD 3.45Å; D387-K391 WeakPolarHBondContact OD1-CE 3.43Å; D387-K391 IonicContact OD1-NZ 3.77Å; D387-K391 PolarHBondContact OD1-NZ 3.47Å
388	R	93.1	Very high	92.9	Very high	186 Å²	186	60.3 Å²	60.3	70%	0.702	30%	0.299	S	S	*	.	H	α-helix	trans	-77.7	-37.2	-178.5	-173.9	175	179.5	179.8	-0.3	114.6	D384 Y386	D384-R388 WeakPolarHBondContact O-CB 3.4Å; D384-R388 PolarHBondContact O-N 2.76Å; Y386-R388 VanDerWaalsContact C-N 3.3Å; Y386-R388 PolarHBondContact O-N 2.69Å
389	Y	93.4	Very high	92.7	Very high	69 Å²	69	63.8 Å²	63.8	27%	0.271	32%	0.32	S	S	.	.	H	α-helix	trans	-122.6	-20.3	-167.9	-57.3	-65.3	0	0	0	115.9	Y349 L353 D385 H393	Y349-Y389 HydrophobicContact CD1-CD2 4.09Å; Y349-Y389 HydrophobicContact CD1-CG 4.36Å; Y349-Y389 HydrophobicContact CD2-CD2 4.05Å; Y349-Y389 HydrophobicContact CD2-CE2 4.15Å; Y349-Y389 AromaticContact CG-CD2 3.68Å; Y349-Y389 HydrophobicContact CG-CD2 3.68Å; Y349-Y389 HydrophobicContact CG-CE2 4.05Å; Y349-Y389 HydrophobicContact CG-CG 4.21Å; L353-Y389 WeakPolarHBondContact CD2-O 3.1Å; D385-Y389 HydrophobicContact CB-CD2 4.27Å; D385-Y389 WeakPolarHBondContact O-CB 3.24Å; D385-Y389 WeakPolarHBondContact O-CD2 3.26Å; D385-Y389 PolarHBondContact O-N 2.95Å; D385-Y389 WeakPolarHBondContact OD1-CE2 3.27Å; Y389-H393 PolarHBondContact O-CD2 2.86Å
390	L	95.8	Very high	92.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-34	-165.8	-56.7	176.8	0	0	0	114.2	Y349 L353 F374 M377 I378 A381 Y386 S392 H393 L394	Y349-L390 HydrophobicContact CE1-CD1 4.08Å; Y349-L390 HydrophobicContact CE1-CD2 4.3Å; Y349-L390 HydrophobicContact CE1-CG 4.37Å; L353-L390 HydrophobicContact CD1-CD2 3.87Å; L353-L390 HydrophobicContact CD2-CD2 3.8Å; F374-L390 HydrophobicContact CD2-CD2 4.42Å; F374-L390 HydrophobicContact CE2-CD2 3.83Å; M377-L390 HydrophobicContact CB-CD1 4.38Å; M377-L390 HydrophobicContact CB-CD2 4.37Å; M377-L390 HydrophobicContact CE-CD2 4.32Å; I378-L390 HydrophobicContact CB-CD1 4.35Å; I378-L390 HydrophobicContact CG1-CB 4.05Å; I378-L390 HydrophobicContact CG1-CD1 3.79Å; I378-L390 HydrophobicContact CG1-CG 4.42Å; A381-L390 HydrophobicContact CB-CD1 3.82Å; Y386-L390 HydrophobicContact CD2-CB 3.86Å; Y386-L390 HydrophobicContact CD2-CD1 4.46Å; Y386-L390 HydrophobicContact CE2-CB 4.32Å; Y386-L390 PolarHBondContact O-N 2.92Å; L390-S392 PolarHBondContact O-N 3.44Å; L390-H393 PolarHBondContact O-N 3.17Å; L390-L394 PolarHBondContact O-N 3.18Å
391	K	93.3	Very high	91.7	Very high	99 Å²	99	70.6 Å²	70.6	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-54.5	-48.5	-172.5	-177.7	168.6	179.3	168.7	0	114.5	Y386 D387 L394 H395	Y386-K391 HydrophobicContact CD1-CB 4.34Å; Y386-K391 HydrophobicContact CE1-CB 3.78Å; Y386-K391 HydrophobicContact CE1-CD 3.87Å; Y386-K391 HydrophobicContact CE1-CG 3.89Å; Y386-K391 HydrophobicContact CE2-CB 4.28Å; Y386-K391 PolarHBondContact O-N 2.96Å; D387-K391 WeakPolarHBondContact OD1-CD 3.45Å; D387-K391 WeakPolarHBondContact OD1-CE 3.43Å; D387-K391 IonicContact OD1-NZ 3.77Å; D387-K391 PolarHBondContact OD1-NZ 3.47Å; K391-L394 PolarHBondContact O-N 3.41Å; K391-H395 PolarHBondContact O-N 2.81Å
392	S	93.3	Very high	91.3	Very high	77 Å²	77	72.2 Å²	72.2	54%	0.538	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-44.6	178	51.4	0	0	0	0	112.3	L390 K396	L390-S392 PolarHBondContact O-N 3.44Å; S392-K396 WeakPolarHBondContact O-CB 3.26Å; S392-K396 PolarHBondContact O-N 3.18Å
393	H	94.6	Very high	91.3	Very high	53 Å²	53	69.7 Å²	69.7	25%	0.245	36%	0.36	C	S	.	.	H	α-helix	trans	-69.9	-38.5	-179.9	-62.7	-70.7	0	0	0	112	L357 Y361 F374 Y389 L390 K396 I397	L357-H393 HydrophobicContact CD2-CB 3.82Å; Y361-H393 AromaticContact CE2-ND1 3.85Å; Y361-H393 AromaticContact CZ-ND1 3.81Å; Y361-H393 PolarHBondContact OH-ND1 3.17Å; F374-H393 HydrophobicContact CE2-CB 3.97Å; F374-H393 HydrophobicContact CZ-CB 3.74Å; Y389-H393 PolarHBondContact O-CD2 2.86Å; L390-H393 PolarHBondContact O-N 3.17Å; H393-K396 PolarHBondContact O-N 2.98Å; H393-I397 WeakPolarHBondContact O-CB 3.46Å; H393-I397 WeakPolarHBondContact O-CD1 3.44Å; H393-I397 WeakPolarHBondContact O-CG1 3.28Å; H393-I397 PolarHBondContact O-N 3.39Å
394	L	94.4	Very high	91.4	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-49.8	173.6	178.7	61.9	0	0	0	111.2	F374 L375 I378 Y386 L390 K391 K396 I397 L398 F417 I421	F374-L394 HydrophobicContact CE1-CB 4.18Å; F374-L394 HydrophobicContact CE1-CD1 4.33Å; F374-L394 HydrophobicContact CZ-CB 4.28Å; L375-L394 HydrophobicContact CD2-CD1 4.08Å; I378-L394 HydrophobicContact CD1-CB 4.14Å; I378-L394 HydrophobicContact CD1-CD1 3.83Å; I378-L394 HydrophobicContact CD1-CD2 3.95Å; I378-L394 HydrophobicContact CD1-CG 4.18Å; Y386-L394 HydrophobicContact CE2-CD2 3.99Å; L390-L394 PolarHBondContact O-N 3.18Å; K391-L394 PolarHBondContact O-N 3.41Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 2.93Å; L394-I397 PolarHBondContact O-N 3.49Å; L394-L398 HydrophobicContact CD1-CD1 3.9Å; L394-L398 HydrophobicContact CD1-CG 4.12Å; L394-L398 HydrophobicContact CG-CD1 3.96Å; L394-L398 WeakPolarHBondContact O-CG 3.16Å; L394-L398 PolarHBondContact O-N 2.91Å; L394-F417 HydrophobicContact CD1-CD2 4.37Å; L394-F417 HydrophobicContact CD1-CG 4.33Å; L394-F417 HydrophobicContact CD2-CB 4.02Å; L394-F417 HydrophobicContact CD2-CD2 4.32Å; L394-F417 HydrophobicContact CD2-CG 4.42Å; L394-I421 HydrophobicContact CD2-CD1 4.12Å; L394-I421 HydrophobicContact CD2-CG1 4.31Å
395	H	92.2	Very high	91.4	Very high	101 Å²	101	66.4 Å²	66.4	47%	0.468	33%	0.332	S	S	.	.	H	α-helix	trans	-57.5	-48.1	178	-176.1	-75.2	0	0	0	111.1	K391 I397 L398 T399	K391-H395 PolarHBondContact O-N 2.81Å; H395-I397 PolarHBondContact O-N 2.99Å; H395-L398 PolarHBondContact O-N 2.92Å; H395-L398 VanDerWaalsContact O-N 3.13Å; H395-T399 VanDerWaalsContact CE1-CG2 3.47Å; H395-T399 WeakPolarHBondContact CE1-CG2 3.45Å; H395-T399 PolarHBondContact O-N 3.13Å; H395-T399 PolarHBondContact O-OG1 3.13Å; H395-T399 VanDerWaalsContact O-OG1 3.09Å
396	K	92.5	Very high	91.5	Very high	79 Å²	79	65.1 Å²	65.1	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-53.7	-53	175.8	-179.4	-179.9	170.5	-167.3	0	111.7	Y361 S392 H393 L394 L398 T399 E400	Y361-K396 VanDerWaalsContact CD1-NZ 3.33Å; Y361-K396 HydrophobicContact CE1-CD 3.75Å; Y361-K396 VanDerWaalsContact CE1-NZ 3.26Å; S392-K396 WeakPolarHBondContact O-CB 3.26Å; S392-K396 PolarHBondContact O-N 3.18Å; H393-K396 PolarHBondContact O-N 2.98Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 2.93Å; K396-L398 PolarHBondContact O-N 2.94Å; K396-T399 PolarHBondContact O-N 2.77Å; K396-T399 VanDerWaalsContact O-N 3.1Å; K396-T399 PolarHBondContact O-OG1 3.46Å; K396-E400 WeakPolarHBondContact CE-OE1 3.35Å; K396-E400 WeakPolarHBondContact CE-OE2 3.47Å; K396-E400 HydrophobicContact CG-CG 4.28Å; K396-E400 IonicContact NZ-OE1 3.87Å; K396-E400 WeakPolarHBondContact O-CG 3.15Å; K396-E400 PolarHBondContact O-N 3.3Å
397	I	92	Very high	91.5	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-30.7	179.9	-70.7	164	0	0	0	112.2	L360 L371 F374 H393 L394 H395 K402	L360-I397 HydrophobicContact CD1-CD1 4.13Å; L371-I397 HydrophobicContact CD1-CD1 4.39Å; L371-I397 HydrophobicContact CD1-CG2 3.97Å; L371-I397 HydrophobicContact CD2-CG2 4.45Å; F374-I397 HydrophobicContact CD1-CD1 3.87Å; F374-I397 HydrophobicContact CE1-CD1 3.71Å; F374-I397 HydrophobicContact CZ-CD1 4.27Å; H393-I397 WeakPolarHBondContact O-CB 3.46Å; H393-I397 WeakPolarHBondContact O-CD1 3.44Å; H393-I397 WeakPolarHBondContact O-CG1 3.28Å; H393-I397 PolarHBondContact O-N 3.39Å; L394-I397 PolarHBondContact O-N 3.49Å; H395-I397 PolarHBondContact O-N 2.99Å; I397-K402 WeakPolarHBondContact O-CE 3.36Å
398	L	92	Very high	91.5	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-82.6	-26.4	176.7	-67.8	176.3	0	0	0	113.6	L394 H395 K396 K402 I410 F417 I421 L429 L430	L394-L398 HydrophobicContact CD1-CD1 3.9Å; L394-L398 HydrophobicContact CD1-CG 4.12Å; L394-L398 HydrophobicContact CG-CD1 3.96Å; L394-L398 WeakPolarHBondContact O-CG 3.16Å; L394-L398 PolarHBondContact O-N 2.91Å; H395-L398 PolarHBondContact O-N 2.92Å; H395-L398 VanDerWaalsContact O-N 3.13Å; K396-L398 PolarHBondContact O-N 2.94Å; L398-K402 VanDerWaalsContact O-CE 3.26Å; L398-K402 WeakPolarHBondContact O-CE 3.32Å; L398-K402 PolarHBondContact O-NZ 3.46Å; L398-I410 HydrophobicContact CD2-CD1 4.2Å; L398-I410 HydrophobicContact CD2-CG2 3.7Å; L398-F417 HydrophobicContact CD1-CE2 4.28Å; L398-I421 HydrophobicContact CD1-CD1 3.33Å; L398-L429 HydrophobicContact CB-CB 4.49Å; L398-L429 HydrophobicContact CB-CD1 4.05Å; L398-L430 HydrophobicContact CD2-CD2 3.93Å
399	T	90.8	Very high	91.5	Very high	73 Å²	73	52.4 Å²	52.4	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-85.6	-26	176.3	50.2	0	0	0	0	114.9	H395 K396 L429	H395-T399 VanDerWaalsContact CE1-CG2 3.47Å; H395-T399 WeakPolarHBondContact CE1-CG2 3.45Å; H395-T399 PolarHBondContact O-N 3.13Å; H395-T399 PolarHBondContact O-OG1 3.13Å; H395-T399 VanDerWaalsContact O-OG1 3.09Å; K396-T399 PolarHBondContact O-N 2.77Å; K396-T399 VanDerWaalsContact O-N 3.1Å; K396-T399 PolarHBondContact O-OG1 3.46Å; T399-L429 HydrophobicContact CG2-CD1 4.48Å; T399-L429 HydrophobicContact CG2-CD2 4.06Å
400	E	87.4	Confident	91.6	Very high	88 Å²	88	49.2 Å²	49.2	41%	0.411	26%	0.261	S	S	.	.	S	Bend	trans	-71.3	159.5	-177.4	-75.3	176.3	146.7	0	0	113	K396 K402	K396-E400 WeakPolarHBondContact CE-OE1 3.35Å; K396-E400 WeakPolarHBondContact CE-OE2 3.47Å; K396-E400 HydrophobicContact CG-CG 4.28Å; K396-E400 IonicContact NZ-OE1 3.87Å; K396-E400 WeakPolarHBondContact O-CG 3.15Å; K396-E400 PolarHBondContact O-N 3.3Å; E400-K402 WeakPolarHBondContact O-CE 3.23Å; E400-K402 WeakPolarHBondContact O-CG 3.24Å; E400-K402 PolarHBondContact O-NZ 3.25Å
401	T	79.9	Confident	91.5	Very high	149 Å²	149	49.3 Å²	49.3	91%	0.914	26%	0.261	S	S	*	.			trans	-70.9	132.1	175.7	50.2	0	0	0	0	110.9
402	K	86.8	Confident	91.5	Very high	52 Å²	52	47.2 Å²	47.2	23%	0.226	26%	0.255	C	S	.	.			trans	-120.2	150.3	-163.9	-44.5	-171	-170.6	59.6	0	112.3	I397 L398 E400 T406 I410 E433	I397-K402 WeakPolarHBondContact O-CE 3.36Å; L398-K402 VanDerWaalsContact O-CE 3.26Å; L398-K402 WeakPolarHBondContact O-CE 3.32Å; L398-K402 PolarHBondContact O-NZ 3.46Å; E400-K402 WeakPolarHBondContact O-CE 3.23Å; E400-K402 WeakPolarHBondContact O-CG 3.24Å; E400-K402 PolarHBondContact O-NZ 3.25Å; K402-T406 HydrophobicContact CB-CG2 4.31Å; K402-I410 HydrophobicContact CD-CD1 3.51Å; K402-E433 VanDerWaalsContact CD-OE1 3.3Å; K402-E433 WeakPolarHBondContact CD-OE1 3.26Å; K402-E433 VanDerWaalsContact CE-OE1 3.29Å; K402-E433 WeakPolarHBondContact CE-OE1 3.5Å; K402-E433 IonicContact NZ-OE1 3.52Å; K402-E433 PolarHBondContact NZ-OE1 3.12Å
403	S	90.2	Very high	91.5	Very high	60 Å²	60	44.8 Å²	44.8	42%	0.42	24%	0.236	S	C	.	.			trans	-72.7	150.2	162.6	85.2	0	0	0	0	109.8	Q405 T406 S407	S403-Q405 PolarHBondContact O-N 2.88Å; S403-Q405 VanDerWaalsContact O-N 3.12Å; S403-Q405 PolarHBondContact OG-N 3.08Å; S403-T406 WeakPolarHBondContact O-CA 3.43Å; S403-T406 VanDerWaalsContact O-CB 3.28Å; S403-T406 WeakPolarHBondContact O-CB 3.42Å; S403-T406 PolarHBondContact O-N 2.86Å; S403-T406 PolarHBondContact OG-N 2.94Å; S403-T406 VanDerWaalsContact OG-N 3.08Å; S403-T406 PolarHBondContact OG-OG1 3.07Å; S403-S407 PolarHBondContact O-N 3.02Å; S403-S407 PolarHBondContact O-OG 3.46Å
404	L	90.6	Very high	91.4	Very high	59 Å²	59	42.4 Å²	42.4	31%	0.309	23%	0.225	S	C	.	.	H	α-helix	trans	-50.7	-37.5	172.9	171.9	63.7	0	0	0	112.6	T406 S407 M408 V436 P440	L404-T406 VanDerWaalsContact C-N 3.34Å; L404-S407 PolarHBondContact O-N 3.06Å; L404-M408 HydrophobicContact CD1-CG 4.23Å; L404-M408 HydrophobicContact CD1-SD 4.27Å; L404-M408 HydrophobicContact CG-SD 4.19Å; L404-M408 WeakPolarHBondContact O-CB 3.42Å; L404-M408 VanDerWaalsContact O-CG 3.26Å; L404-M408 WeakPolarHBondContact O-CG 3.49Å; L404-M408 PolarHBondContact O-N 3.04Å; L404-V436 HydrophobicContact CD1-CG1 4.37Å; L404-P440 HydrophobicContact CD1-CG 3.9Å; L404-P440 HydrophobicContact CD2-CB 4.21Å; L404-P440 HydrophobicContact CD2-CG 3.58Å; L404-P440 HydrophobicContact CG-CG 4.41Å
405	Q	90.8	Very high	91.4	Very high	90 Å²	90	44.9 Å²	44.9	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-70.1	-31.3	177.6	-63.2	-60.3	-41.6	0	0	112.2	S403 V409	S403-Q405 PolarHBondContact O-N 2.88Å; S403-Q405 VanDerWaalsContact O-N 3.12Å; S403-Q405 PolarHBondContact OG-N 3.08Å; Q405-V409 VanDerWaalsContact O-CG2 3.28Å; Q405-V409 WeakPolarHBondContact O-CG2 3.45Å; Q405-V409 PolarHBondContact O-N 2.91Å
406	T	92	Very high	91.4	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-48.1	172.7	-51.6	0	0	0	0	110.4	I367 L371 K402 S403 L404 M408 V409 I410	I367-T406 HydrophobicContact CG2-CG2 3.72Å; L371-T406 HydrophobicContact CD2-CG2 4.01Å; K402-T406 HydrophobicContact CB-CG2 4.31Å; S403-T406 WeakPolarHBondContact O-CA 3.43Å; S403-T406 VanDerWaalsContact O-CB 3.28Å; S403-T406 WeakPolarHBondContact O-CB 3.42Å; S403-T406 PolarHBondContact O-N 2.86Å; S403-T406 PolarHBondContact OG-N 2.94Å; S403-T406 VanDerWaalsContact OG-N 3.08Å; S403-T406 PolarHBondContact OG-OG1 3.07Å; L404-T406 VanDerWaalsContact C-N 3.34Å; T406-M408 VanDerWaalsContact C-N 3.34Å; T406-M408 PolarHBondContact O-N 3.35Å; T406-V409 PolarHBondContact O-N 3.3Å; T406-V409 VanDerWaalsContact O-N 3.15Å; T406-I410 HydrophobicContact CG2-CD1 4.09Å; T406-I410 WeakPolarHBondContact O-CG1 3.22Å; T406-I410 PolarHBondContact O-N 3.19Å
407	S	93.1	Very high	91.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-54.6	-47.4	174.7	-56.7	0	0	0	0	112	S403 L404 V409 I410 L411 E433 C437	S403-S407 PolarHBondContact O-N 3.02Å; S403-S407 PolarHBondContact O-OG 3.46Å; L404-S407 PolarHBondContact O-N 3.06Å; S407-V409 VanDerWaalsContact C-N 3.34Å; S407-V409 PolarHBondContact O-N 3.06Å; S407-I410 PolarHBondContact O-N 3.41Å; S407-L411 WeakPolarHBondContact O-CG 3.38Å; S407-L411 PolarHBondContact O-N 3.21Å; S407-E433 WeakPolarHBondContact CB-OE2 3.41Å; S407-E433 PolarHBondContact OG-OE2 2.89Å; S407-C437 VanDerWaalsContact CB-SG 3.59Å
408	M	93	Very high	91.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-42	177.3	-74.1	176.5	61.6	0	0	112.4	L404 T406 L411 D412 C437 K444 T448	L404-M408 HydrophobicContact CD1-CG 4.23Å; L404-M408 HydrophobicContact CD1-SD 4.27Å; L404-M408 HydrophobicContact CG-SD 4.19Å; L404-M408 WeakPolarHBondContact O-CB 3.42Å; L404-M408 VanDerWaalsContact O-CG 3.26Å; L404-M408 WeakPolarHBondContact O-CG 3.49Å; L404-M408 PolarHBondContact O-N 3.04Å; T406-M408 VanDerWaalsContact C-N 3.34Å; T406-M408 PolarHBondContact O-N 3.35Å; M408-L411 PolarHBondContact O-N 2.83Å; M408-D412 WeakPolarHBondContact O-CB 3.42Å; M408-D412 PolarHBondContact O-N 2.83Å; M408-C437 HydrophobicContact CG-CB 4.27Å; M408-C437 VanDerWaalsContact CG-SG 3.58Å; M408-K444 HydrophobicContact CE-CB 4.05Å; M408-K444 HydrophobicContact CE-CD 3.59Å; M408-K444 HydrophobicContact CE-CG 3.6Å; M408-T448 HydrophobicContact CB-CG2 4.12Å; M408-T448 HydrophobicContact CG-CG2 4.33Å; M408-T448 VanDerWaalsContact O-CG2 3.27Å; M408-T448 WeakPolarHBondContact O-CG2 3.32Å
409	V	93.6	Very high	91.3	Very high	17 Å²	17	43.3 Å²	43.3	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-35.8	178.4	167.4	0	0	0	0	112.4	L371 P372 Q405 T406 S407 L413	L371-V409 HydrophobicContact CB-CG1 4.37Å; L371-V409 HydrophobicContact CD2-CG1 4.13Å; L371-V409 HydrophobicContact CG-CG1 4.26Å; P372-V409 HydrophobicContact CG-CG1 3.79Å; Q405-V409 VanDerWaalsContact O-CG2 3.28Å; Q405-V409 WeakPolarHBondContact O-CG2 3.45Å; Q405-V409 PolarHBondContact O-N 2.91Å; T406-V409 PolarHBondContact O-N 3.3Å; T406-V409 VanDerWaalsContact O-N 3.15Å; S407-V409 VanDerWaalsContact C-N 3.34Å; S407-V409 PolarHBondContact O-N 3.06Å; V409-L413 HydrophobicContact CG1-CD1 4.05Å; V409-L413 WeakPolarHBondContact O-CB 3.45Å; V409-L413 WeakPolarHBondContact O-CG 3.38Å; V409-L413 PolarHBondContact O-N 3.01Å; V409-L413 VanDerWaalsContact O-N 3.13Å
410	I	94.4	Very high	91.2	Very high	2 Å²	2	43 Å²	43	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-42.8	174.2	-69.4	164.7	0	0	0	110.7	L371 L398 K402 T406 S407 S414 F417 L430	L371-I410 HydrophobicContact CD2-CD1 4.24Å; L371-I410 HydrophobicContact CD2-CG1 3.66Å; L398-I410 HydrophobicContact CD2-CD1 4.2Å; L398-I410 HydrophobicContact CD2-CG2 3.7Å; K402-I410 HydrophobicContact CD-CD1 3.51Å; T406-I410 HydrophobicContact CG2-CD1 4.09Å; T406-I410 WeakPolarHBondContact O-CG1 3.22Å; T406-I410 PolarHBondContact O-N 3.19Å; S407-I410 PolarHBondContact O-N 3.41Å; I410-S414 WeakPolarHBondContact O-CA 3.4Å; I410-S414 PolarHBondContact O-N 3.26Å; I410-S414 VanDerWaalsContact O-N 3.11Å; I410-F417 HydrophobicContact CG2-CE1 4.39Å; I410-F417 HydrophobicContact CG2-CZ 3.81Å; I410-L430 HydrophobicContact CG2-CD2 3.95Å
411	L	93.9	Very high	91.2	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-48.3	178	-70.7	-175.3	0	0	0	112.6	S407 M408 L413 S414 E433 I434 C437 T448 V449 A452	S407-L411 WeakPolarHBondContact O-CG 3.38Å; S407-L411 PolarHBondContact O-N 3.21Å; M408-L411 PolarHBondContact O-N 2.83Å; L411-L413 PolarHBondContact O-N 3Å; L411-S414 WeakPolarHBondContact O-CB 3.23Å; L411-S414 PolarHBondContact O-N 3.36Å; L411-S414 PolarHBondContact O-OG 3.39Å; L411-E433 HydrophobicContact CD1-CB 4.45Å; L411-E433 HydrophobicContact CD2-CB 4.21Å; L411-E433 HydrophobicContact CG-CB 4.31Å; L411-I434 HydrophobicContact CD1-CG1 4.45Å; L411-I434 HydrophobicContact CD2-CG1 4.06Å; L411-C437 HydrophobicContact CD1-CB 3.89Å; L411-T448 HydrophobicContact CB-CG2 3.57Å; L411-T448 HydrophobicContact CD1-CG2 4.25Å; L411-V449 HydrophobicContact CD1-CG2 4.39Å; L411-A452 HydrophobicContact CB-CB 3.82Å; L411-A452 HydrophobicContact CD2-CB 3.95Å; L411-A452 HydrophobicContact CG-CB 4.33Å
412	D	93.2	Very high	91.5	Very high	55 Å²	55	35.4 Å²	35.4	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-57.4	-34.1	178.2	-84.6	-22.9	0	0	0	112.2	M408 T448	M408-D412 WeakPolarHBondContact O-CB 3.42Å; M408-D412 PolarHBondContact O-N 2.83Å; D412-T448 VanDerWaalsContact CG-OG1 3.23Å; D412-T448 VanDerWaalsContact OD1-CA 3.3Å; D412-T448 WeakPolarHBondContact OD1-CA 3.45Å; D412-T448 WeakPolarHBondContact OD1-CB 3.43Å; D412-T448 VanDerWaalsContact OD1-CG2 3.28Å; D412-T448 WeakPolarHBondContact OD1-CG2 3.46Å; D412-T448 PolarHBondContact OD1-OG1 3.3Å; D412-T448 PolarHBondContact OD2-OG1 2.85Å
413	L	94.1	Very high	91.4	Very high	26 Å²	26	37 Å²	37	14%	0.136	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	19.6	-177.9	-55.7	179.7	0	0	0	113	P372 L375 V409 L411 D415 F416	P372-L413 HydrophobicContact CB-CD1 3.77Å; P372-L413 HydrophobicContact CG-CD1 3.98Å; L375-L413 HydrophobicContact CD1-CB 3.78Å; L375-L413 HydrophobicContact CD1-CD1 4.14Å; V409-L413 HydrophobicContact CG1-CD1 4.05Å; V409-L413 WeakPolarHBondContact O-CB 3.45Å; V409-L413 WeakPolarHBondContact O-CG 3.38Å; V409-L413 PolarHBondContact O-N 3.01Å; V409-L413 VanDerWaalsContact O-N 3.13Å; L411-L413 PolarHBondContact O-N 3Å; L413-D415 PolarHBondContact O-N 2.82Å; L413-D415 VanDerWaalsContact O-N 3.17Å; L413-F416 HydrophobicContact CB-CD1 3.84Å; L413-F416 HydrophobicContact CB-CE1 4.23Å; L413-F416 HydrophobicContact CB-CG 4.17Å; L413-F416 HydrophobicContact CD2-CD1 4.13Å; L413-F416 HydrophobicContact CD2-CE1 3.61Å; L413-F416 HydrophobicContact CD2-CE2 4.47Å; L413-F416 HydrophobicContact CD2-CZ 3.82Å; L413-F416 HydrophobicContact CG-CE1 4.48Å; L413-F416 WeakPolarHBondContact O-CB 3.37Å; L413-F416 VanDerWaalsContact O-CD1 3.3Å; L413-F416 WeakPolarHBondContact O-CD1 3.44Å; L413-F416 PolarHBondContact O-N 3.36Å
414	S	93.5	Very high	91.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57	-31.3	-179.3	50.9	0	0	0	0	113.7	I410 L411 F416 F417 I418	I410-S414 WeakPolarHBondContact O-CA 3.4Å; I410-S414 PolarHBondContact O-N 3.26Å; I410-S414 VanDerWaalsContact O-N 3.11Å; L411-S414 WeakPolarHBondContact O-CB 3.23Å; L411-S414 PolarHBondContact O-N 3.36Å; L411-S414 PolarHBondContact O-OG 3.39Å; S414-F416 PolarHBondContact O-N 3.19Å; S414-F416 VanDerWaalsContact O-N 3.08Å; S414-F417 PolarHBondContact O-N 2.82Å; S414-I418 VanDerWaalsContact O-CB 3.27Å; S414-I418 WeakPolarHBondContact O-CB 3.42Å; S414-I418 WeakPolarHBondContact O-CG2 3.28Å; S414-I418 PolarHBondContact O-N 3.2Å
415	D	92.8	Very high	91	Very high	56 Å²	56	39 Å²	39	30%	0.299	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-68.9	-1.1	174.7	87.2	-60.9	0	0	0	114.4	K379 L413 V455	K379-D415 PolarHBondContact NZ-O 2.73Å; K379-D415 IonicContact NZ-OD1 2.75Å; K379-D415 PolarHBondContact NZ-OD1 2.94Å; K379-D415 IonicContact NZ-OD2 2.98Å; K379-D415 PolarHBondContact NZ-OD2 2.93Å; L413-D415 PolarHBondContact O-N 2.82Å; L413-D415 VanDerWaalsContact O-N 3.17Å; D415-V455 HydrophobicContact CB-CG1 4.1Å; D415-V455 HydrophobicContact CB-CG2 4.38Å
416	F	93.1	Very high	90.9	Very high	23 Å²	23	34.9 Å²	34.9	10%	0.101	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-86.6	-26	176.8	-71.6	51.4	0	0	0	112.1	L375 K379 L413 S414 L673	L375-F416 HydrophobicContact CB-CB 4.25Å; L375-F416 HydrophobicContact CB-CD2 4.31Å; K379-F416 HydrophobicContact CB-CB 4.05Å; K379-F416 HydrophobicContact CB-CD2 3.8Å; K379-F416 HydrophobicContact CB-CG 4.14Å; K379-F416 HydrophobicContact CD-CB 4.37Å; K379-F416 HydrophobicContact CD-CD1 4.1Å; K379-F416 HydrophobicContact CD-CD2 3.57Å; K379-F416 HydrophobicContact CD-CE1 4.18Å; K379-F416 HydrophobicContact CD-CE2 3.69Å; K379-F416 HydrophobicContact CD-CG 3.75Å; K379-F416 HydrophobicContact CD-CZ 3.97Å; K379-F416 HydrophobicContact CG-CB 4.36Å; K379-F416 HydrophobicContact CG-CD2 4.2Å; K379-F416 HydrophobicContact CG-CG 4.27Å; K379-F416 VanDerWaalsContact NZ-CE1 3.3Å; L413-F416 HydrophobicContact CB-CD1 3.84Å; L413-F416 HydrophobicContact CB-CE1 4.23Å; L413-F416 HydrophobicContact CB-CG 4.17Å; L413-F416 HydrophobicContact CD2-CD1 4.13Å; L413-F416 HydrophobicContact CD2-CE1 3.61Å; L413-F416 HydrophobicContact CD2-CE2 4.47Å; L413-F416 HydrophobicContact CD2-CZ 3.82Å; L413-F416 HydrophobicContact CG-CE1 4.48Å; L413-F416 WeakPolarHBondContact O-CB 3.37Å; L413-F416 VanDerWaalsContact O-CD1 3.3Å; L413-F416 WeakPolarHBondContact O-CD1 3.44Å; L413-F416 PolarHBondContact O-N 3.36Å; S414-F416 PolarHBondContact O-N 3.19Å; S414-F416 VanDerWaalsContact O-N 3.08Å; F416-L673 HydrophobicContact CE2-CD2 4.5Å; F416-L673 HydrophobicContact CZ-CD2 4.17Å
417	F	93.3	Very high	90.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-13.2	-168.7	65	-96.5	0	0	0	114.9	L375 I378 L394 L398 I410 S414 H419 H420 I421 L430	L375-F417 HydrophobicContact CD1-CD1 4.17Å; L375-F417 HydrophobicContact CD1-CE1 4.03Å; L375-F417 HydrophobicContact CD2-CD1 3.73Å; L375-F417 HydrophobicContact CD2-CE1 4.16Å; L375-F417 HydrophobicContact CD2-CG 4.44Å; L375-F417 HydrophobicContact CG-CD1 4.44Å; I378-F417 HydrophobicContact CD1-CB 4.43Å; I378-F417 HydrophobicContact CG2-CB 3.8Å; L394-F417 HydrophobicContact CD1-CD2 4.37Å; L394-F417 HydrophobicContact CD1-CG 4.33Å; L394-F417 HydrophobicContact CD2-CB 4.02Å; L394-F417 HydrophobicContact CD2-CD2 4.32Å; L394-F417 HydrophobicContact CD2-CG 4.42Å; L398-F417 HydrophobicContact CD1-CE2 4.28Å; I410-F417 HydrophobicContact CG2-CE1 4.39Å; I410-F417 HydrophobicContact CG2-CZ 3.81Å; S414-F417 PolarHBondContact O-N 2.82Å; F417-H419 PolarHBondContact O-N 3.1Å; F417-H420 PolarHBondContact O-N 2.77Å; F417-I421 HydrophobicContact CD2-CD1 3.46Å; F417-I421 VanDerWaalsContact CD2-CD1 3.46Å; F417-I421 HydrophobicContact CD2-CG1 4.27Å; F417-I421 HydrophobicContact CE2-CD1 3.7Å; F417-L430 HydrophobicContact CE2-CD1 4.02Å; F417-L430 HydrophobicContact CE2-CD2 4.01Å; F417-L430 HydrophobicContact CZ-CD2 4.12Å
418	I	92.2	Very high	90.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-54.1	-26.9	-177	-169.2	163.1	0	0	0	114.8	S414 H420 I426 V455 L456 Y459	S414-I418 VanDerWaalsContact O-CB 3.27Å; S414-I418 WeakPolarHBondContact O-CB 3.42Å; S414-I418 WeakPolarHBondContact O-CG2 3.28Å; S414-I418 PolarHBondContact O-N 3.2Å; I418-H420 PolarHBondContact O-N 2.67Å; I418-I426 HydrophobicContact CD1-CD1 4.36Å; I418-I426 HydrophobicContact CG1-CD1 3.87Å; I418-I426 HydrophobicContact CG1-CG1 4.47Å; I418-V455 HydrophobicContact CD1-CG1 4.14Å; I418-V455 HydrophobicContact CG2-CG1 4.32Å; I418-L456 HydrophobicContact CD1-CD2 3.61Å; I418-L456 HydrophobicContact CD1-CG 4.27Å; I418-Y459 HydrophobicContact CD1-CD2 3.25Å; I418-Y459 HydrophobicContact CD1-CE2 3.64Å; I418-Y459 HydrophobicContact CD1-CG 3.96Å; I418-Y459 HydrophobicContact CG1-CD2 3.78Å; I418-Y459 HydrophobicContact CG1-CE2 3.99Å; I418-Y459 HydrophobicContact CG1-CG 4.13Å; I418-Y459 HydrophobicContact CG2-CE2 3.91Å
419	H	89.6	Confident	90.1	Very high	141 Å²	141	42 Å²	42	65%	0.653	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-68.8	-14.8	176.5	-69.8	-83.6	0	0	0	114.4	F417 Y459	F417-H419 PolarHBondContact O-N 3.1Å; H419-Y459 PolarHBondContact CE1-OH 2.86Å; H419-Y459 PolarHBondContact NE2-OH 2.96Å
420	H	87.4	Confident	89.9	Confident	65 Å²	65	41.2 Å²	41.2	30%	0.301	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-109.2	8.7	-174.2	-58.5	-99.1	0	0	0	113.9	Y386 F417 I418	Y386-H420 HydrophobicContact CD1-CB 4.21Å; Y386-H420 AromaticContact CD1-ND1 3.37Å; Y386-H420 WeakPolarHBondContact CD1-ND1 3.48Å; Y386-H420 HydrophobicContact CD2-CB 4.44Å; Y386-H420 AromaticContact CD2-ND1 3.85Å; Y386-H420 HydrophobicContact CE1-CB 3.59Å; Y386-H420 AromaticContact CE1-CG 3.98Å; Y386-H420 AromaticContact CE1-ND1 3.71Å; Y386-H420 HydrophobicContact CE2-CB 3.88Å; Y386-H420 AromaticContact CG-CE1 3.95Å; Y386-H420 AromaticContact CG-ND1 3.44Å; Y386-H420 VanDerWaalsContact CZ-CB 3.41Å; Y386-H420 AromaticContact CZ-CG 3.97Å; Y386-H420 PolarHBondContact OH-O 3.36Å; F417-H420 PolarHBondContact O-N 2.77Å; I418-H420 PolarHBondContact O-N 2.67Å
421	I	87.9	Confident	89.7	Confident	28 Å²	28	41.2 Å²	41.2	14%	0.144	22%	0.216	C	C	.	.	S	Bend	trans	-120.1	143.9	-173.8	-64	-166.1	0	0	0	109.3	L394 L398 F417 D425 I426	L394-I421 HydrophobicContact CD2-CD1 4.12Å; L394-I421 HydrophobicContact CD2-CG1 4.31Å; L398-I421 HydrophobicContact CD1-CD1 3.33Å; F417-I421 HydrophobicContact CD2-CD1 3.46Å; F417-I421 VanDerWaalsContact CD2-CD1 3.46Å; F417-I421 HydrophobicContact CD2-CG1 4.27Å; F417-I421 HydrophobicContact CE2-CD1 3.7Å; I421-D425 HydrophobicContact CG2-CB 3.33Å; I421-I426 HydrophobicContact CB-CG1 4.48Å; I421-I426 HydrophobicContact CG2-CG1 3.94Å
422	S	87.1	Confident	89.5	Confident	50 Å²	50	44.1 Å²	44.1	35%	0.35	24%	0.235	S	C	.	.			trans	-70.1	160.9	179.7	78.6	0	0	0	0	112.3	D424 D425 I426	S422-D424 PolarHBondContact O-N 2.84Å; S422-D424 PolarHBondContact OG-N 2.91Å; S422-D425 WeakPolarHBondContact CB-OD2 3.41Å; S422-D425 PolarHBondContact O-N 3.28Å; S422-D425 WeakPolarHBondContact OG-CB 3.33Å; S422-D425 PolarHBondContact OG-N 3.37Å; S422-D425 PolarHBondContact OG-OD2 3Å; S422-I426 WeakPolarHBondContact O-CG1 3.27Å; S422-I426 PolarHBondContact O-N 3.49Å
423	Q	84.4	Confident	89.3	Confident	86 Å²	86	42.3 Å²	42.3	40%	0.402	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-31	175.3	-69	-164.4	-58.4	0	0	112.2	G427 Y459 N461 Q464	Q423-G427 PolarHBondContact O-N 3.22Å; Q423-Y459 PolarHBondContact NE2-O 2.83Å; Q423-N461 VanDerWaalsContact CD-ND2 3.34Å; Q423-N461 PolarHBondContact NE2-ND2 3.08Å; Q423-N461 PolarHBondContact NE2-OD1 3.22Å; Q423-N461 PolarHBondContact OE1-ND2 3.13Å; Q423-Q464 PolarHBondContact O-NE2 3.14Å
424	D	84	Confident	89.1	Confident	108 Å²	108	41.1 Å²	41.1	58%	0.578	22%	0.219	S	C	*	.	H	α-helix	trans	-75.2	-41.8	179.5	-57.8	-51.1	0	0	0	111.4	S422 I426 G427 N428	S422-D424 PolarHBondContact O-N 2.84Å; S422-D424 PolarHBondContact OG-N 2.91Å; D424-I426 VanDerWaalsContact C-N 3.33Å; D424-I426 PolarHBondContact O-N 2.88Å; D424-G427 CarbonylContact O-C 3.29Å; D424-G427 WeakPolarHBondContact O-CA 3.35Å; D424-G427 PolarHBondContact O-N 2.69Å; D424-N428 WeakPolarHBondContact O-CB 3.2Å; D424-N428 VanDerWaalsContact O-CG 3.28Å; D424-N428 PolarHBondContact O-N 3.18Å; D424-N428 PolarHBondContact O-ND2 2.86Å
425	D	87.7	Confident	88.9	Confident	53 Å²	53	42 Å²	42	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-36	173.5	-64.8	-46.3	0	0	0	112.2	I421 S422 G427 N428 L429	I421-D425 HydrophobicContact CG2-CB 3.33Å; S422-D425 WeakPolarHBondContact CB-OD2 3.41Å; S422-D425 PolarHBondContact O-N 3.28Å; S422-D425 WeakPolarHBondContact OG-CB 3.33Å; S422-D425 PolarHBondContact OG-N 3.37Å; S422-D425 PolarHBondContact OG-OD2 3Å; D425-G427 VanDerWaalsContact C-N 3.26Å; D425-G427 PolarHBondContact O-N 2.8Å; D425-N428 PolarHBondContact O-N 3.26Å; D425-L429 HydrophobicContact CB-CD1 4.2Å; D425-L429 WeakPolarHBondContact O-CA 3.49Å; D425-L429 VanDerWaalsContact O-CB 3.25Å; D425-L429 WeakPolarHBondContact O-CB 3.35Å; D425-L429 PolarHBondContact O-N 2.89Å
426	I	88	Confident	88.7	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.015	23%	0.229	C	C	.	.	I	π-helix	trans	-58.5	-43.3	170.6	-70.8	168.4	0	0	0	109.9	I418 I421 S422 D424 L430 L431 L456 L460	I418-I426 HydrophobicContact CD1-CD1 4.36Å; I418-I426 HydrophobicContact CG1-CD1 3.87Å; I418-I426 HydrophobicContact CG1-CG1 4.47Å; I421-I426 HydrophobicContact CB-CG1 4.48Å; I421-I426 HydrophobicContact CG2-CG1 3.94Å; S422-I426 WeakPolarHBondContact O-CG1 3.27Å; S422-I426 PolarHBondContact O-N 3.49Å; D424-I426 VanDerWaalsContact C-N 3.33Å; D424-I426 PolarHBondContact O-N 2.88Å; I426-L430 HydrophobicContact CG1-CD1 4.17Å; I426-L430 WeakPolarHBondContact O-CB 3.19Å; I426-L430 PolarHBondContact O-N 2.82Å; I426-L431 PolarHBondContact O-N 3.43Å; I426-L456 HydrophobicContact CG2-CD2 3.84Å; I426-L460 HydrophobicContact CG2-CD2 3.93Å
427	G	85	Confident	88.6	Confident	14 Å²	14	41.6 Å²	41.6	14%	0.144	22%	0.224	C	C	.	.	I	π-helix	trans	-64.3	-47.6	175.9	0	0	0	0	0	113.3	Q423 D424 D425 L431	Q423-G427 PolarHBondContact O-N 3.22Å; D424-G427 CarbonylContact O-C 3.29Å; D424-G427 WeakPolarHBondContact O-CA 3.35Å; D424-G427 PolarHBondContact O-N 2.69Å; D425-G427 VanDerWaalsContact C-N 3.26Å; D425-G427 PolarHBondContact O-N 2.8Å; G427-L431 WeakPolarHBondContact O-CB 3.31Å
428	N	87	Confident	88.3	Confident	117 Å²	117	41.6 Å²	41.6	63%	0.626	22%	0.224	S	C	*	.	I	π-helix	trans	-84.2	-30.2	-170.5	-65.9	-32	0	0	0	114	D424 D425 P432	D424-N428 WeakPolarHBondContact O-CB 3.2Å; D424-N428 VanDerWaalsContact O-CG 3.28Å; D424-N428 PolarHBondContact O-N 3.18Å; D424-N428 PolarHBondContact O-ND2 2.86Å; D425-N428 PolarHBondContact O-N 3.26Å; N428-P432 WeakPolarHBondContact O-CG 3.32Å
429	L	89.2	Confident	88	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.157	24%	0.242	C	C	.	.	I	π-helix	trans	-110.7	-34.6	-172.7	-53.7	178.7	0	0	0	113.5	L398 T399 D425 E433	L398-L429 HydrophobicContact CB-CB 4.49Å; L398-L429 HydrophobicContact CB-CD1 4.05Å; T399-L429 HydrophobicContact CG2-CD1 4.48Å; T399-L429 HydrophobicContact CG2-CD2 4.06Å; D425-L429 HydrophobicContact CB-CD1 4.2Å; D425-L429 WeakPolarHBondContact O-CA 3.49Å; D425-L429 VanDerWaalsContact O-CB 3.25Å; D425-L429 WeakPolarHBondContact O-CB 3.35Å; D425-L429 PolarHBondContact O-N 2.89Å; L429-E433 WeakPolarHBondContact O-CG 3.24Å
430	L	91.1	Very high	87.8	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.228	C	C	.	.	I	π-helix	trans	-96.2	-33.2	-175.5	-58.6	-177.9	0	0	0	113.6	L398 I410 F417 I426 E433 L456	L398-L430 HydrophobicContact CD2-CD2 3.93Å; I410-L430 HydrophobicContact CG2-CD2 3.95Å; F417-L430 HydrophobicContact CE2-CD1 4.02Å; F417-L430 HydrophobicContact CE2-CD2 4.01Å; F417-L430 HydrophobicContact CZ-CD2 4.12Å; I426-L430 HydrophobicContact CG1-CD1 4.17Å; I426-L430 WeakPolarHBondContact O-CB 3.19Å; I426-L430 PolarHBondContact O-N 2.82Å; L430-E433 PolarHBondContact O-N 3.15Å; L430-L456 HydrophobicContact CB-CD2 4.26Å; L430-L456 HydrophobicContact CD1-CD2 3.89Å
431	L	88.7	Confident	87.6	Confident	3 Å²	3	39 Å²	39	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-43.5	177.2	-60.5	-176.7	0	0	0	113.4	I426 G427 E433 I434 F435 L460 S468 I469	I426-L431 PolarHBondContact O-N 3.43Å; G427-L431 WeakPolarHBondContact O-CB 3.31Å; L431-E433 VanDerWaalsContact C-N 3.26Å; L431-E433 PolarHBondContact O-N 2.92Å; L431-I434 HydrophobicContact CD2-CD1 3.63Å; L431-I434 VanDerWaalsContact O-CB 3.27Å; L431-I434 WeakPolarHBondContact O-CB 3.38Å; L431-I434 PolarHBondContact O-N 3.2Å; L431-I434 VanDerWaalsContact O-N 3.1Å; L431-F435 HydrophobicContact CB-CE2 4.38Å; L431-F435 WeakPolarHBondContact O-CD2 3.32Å; L431-F435 WeakPolarHBondContact O-CE2 3.38Å; L431-L460 HydrophobicContact CD1-CD2 4.11Å; L431-L460 HydrophobicContact CD2-CD1 4.17Å; L431-L460 HydrophobicContact CD2-CD2 4.02Å; L431-L460 HydrophobicContact CG-CD2 4.41Å; L431-S468 WeakPolarHBondContact CD1-OG 3.22Å; L431-I469 HydrophobicContact CD1-CD1 3.99Å; L431-I469 HydrophobicContact CD1-CG1 3.87Å; L431-I469 HydrophobicContact CD2-CD1 3.65Å; L431-I469 HydrophobicContact CD2-CG1 4.13Å; L431-I469 HydrophobicContact CG-CD1 4.49Å
432	P	89.5	Confident	87.6	Confident	62 Å²	62	40.5 Å²	40.5	40%	0.403	23%	0.231	S	C	.	.	H	α-helix	trans	-56.4	-38.9	178.1	-27.6	37	0	0	0	113.5	N428 I434 F435 V436	N428-P432 WeakPolarHBondContact O-CG 3.32Å; P432-I434 VanDerWaalsContact C-N 3.27Å; P432-I434 PolarHBondContact O-N 3.26Å; P432-F435 PolarHBondContact O-N 2.66Å; P432-F435 VanDerWaalsContact O-N 3.15Å; P432-V436 WeakPolarHBondContact O-CG2 3.5Å; P432-V436 PolarHBondContact O-N 3.33Å; P432-V436 VanDerWaalsContact O-N 3.14Å
433	E	90.3	Very high	87.5	Confident	18 Å²	18	42.9 Å²	42.9	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-30.6	-180	-58	-64.3	166.6	0	0	112.6	K402 S407 L411 L429 L430 L431 F435 V436 C437	K402-E433 VanDerWaalsContact CD-OE1 3.3Å; K402-E433 WeakPolarHBondContact CD-OE1 3.26Å; K402-E433 VanDerWaalsContact CE-OE1 3.29Å; K402-E433 WeakPolarHBondContact CE-OE1 3.5Å; K402-E433 IonicContact NZ-OE1 3.52Å; K402-E433 PolarHBondContact NZ-OE1 3.12Å; S407-E433 WeakPolarHBondContact CB-OE2 3.41Å; S407-E433 PolarHBondContact OG-OE2 2.89Å; L411-E433 HydrophobicContact CD1-CB 4.45Å; L411-E433 HydrophobicContact CD2-CB 4.21Å; L411-E433 HydrophobicContact CG-CB 4.31Å; L429-E433 WeakPolarHBondContact O-CG 3.24Å; L430-E433 PolarHBondContact O-N 3.15Å; L431-E433 VanDerWaalsContact C-N 3.26Å; L431-E433 PolarHBondContact O-N 2.92Å; E433-F435 VanDerWaalsContact C-N 3.33Å; E433-F435 PolarHBondContact O-N 3.34Å; E433-V436 PolarHBondContact O-N 3.37Å; E433-C437 WeakPolarHBondContact O-CB 3.38Å; E433-C437 PolarHBondContact O-N 3.04Å; E433-C437 PolarHBondContact O-SG 3.46Å
434	I	90.5	Very high	87.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-48.8	174	-58.6	177.3	0	0	0	109.9	L411 L431 P432 C437 L438 V449 I453 L456	L411-I434 HydrophobicContact CD1-CG1 4.45Å; L411-I434 HydrophobicContact CD2-CG1 4.06Å; L431-I434 HydrophobicContact CD2-CD1 3.63Å; L431-I434 VanDerWaalsContact O-CB 3.27Å; L431-I434 WeakPolarHBondContact O-CB 3.38Å; L431-I434 PolarHBondContact O-N 3.2Å; L431-I434 VanDerWaalsContact O-N 3.1Å; P432-I434 VanDerWaalsContact C-N 3.27Å; P432-I434 PolarHBondContact O-N 3.26Å; I434-C437 PolarHBondContact O-N 3.17Å; I434-L438 WeakPolarHBondContact O-CB 3.35Å; I434-L438 PolarHBondContact O-N 3.15Å; I434-V449 HydrophobicContact CG2-CG1 3.79Å; I434-V449 HydrophobicContact CG2-CG2 4.17Å; I434-V449 VanDerWaalsContact O-CG2 3.31Å; I434-V449 WeakPolarHBondContact O-CG2 3.42Å; I434-I453 HydrophobicContact CD1-CD1 4.42Å; I434-I453 HydrophobicContact CD1-CG1 4Å; I434-I453 HydrophobicContact CG2-CD1 3.87Å; I434-I453 HydrophobicContact CG2-CG1 4.37Å; I434-L456 HydrophobicContact CD1-CD1 3.87Å; I434-L456 HydrophobicContact CG1-CD1 4.39Å
435	F	88.3	Confident	87.9	Confident	19 Å²	19	37.3 Å²	37.3	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-71.6	-39.9	-175.6	-54.3	-68.9	0	0	0	110.9	L431 P432 E433 C437 L438 E439 I469 Q472 L473 I476	L431-F435 HydrophobicContact CB-CE2 4.38Å; L431-F435 WeakPolarHBondContact O-CD2 3.32Å; L431-F435 WeakPolarHBondContact O-CE2 3.38Å; P432-F435 PolarHBondContact O-N 2.66Å; P432-F435 VanDerWaalsContact O-N 3.15Å; E433-F435 VanDerWaalsContact C-N 3.33Å; E433-F435 PolarHBondContact O-N 3.34Å; F435-C437 PolarHBondContact O-N 2.91Å; F435-L438 HydrophobicContact CD1-CD2 4.46Å; F435-L438 WeakPolarHBondContact O-CB 3.39Å; F435-L438 PolarHBondContact O-N 2.93Å; F435-E439 WeakPolarHBondContact O-CG 3.28Å; F435-E439 PolarHBondContact O-N 3.42Å; F435-I469 HydrophobicContact CZ-CG2 4.28Å; F435-Q472 HydrophobicContact CD1-CB 4.02Å; F435-Q472 VanDerWaalsContact CD2-OE1 3.28Å; F435-Q472 HydrophobicContact CE1-CB 3.67Å; F435-Q472 HydrophobicContact CE2-CB 4.33Å; F435-Q472 HydrophobicContact CG-CB 4.48Å; F435-Q472 HydrophobicContact CZ-CB 3.85Å; F435-L473 HydrophobicContact CE1-CD2 4.15Å; F435-L473 HydrophobicContact CE1-CG 4.28Å; F435-I476 HydrophobicContact CB-CD1 4.19Å; F435-I476 HydrophobicContact CD1-CD1 3.7Å; F435-I476 HydrophobicContact CG-CD1 4.35Å
436	V	89.7	Confident	88	Confident	72 Å²	72	35.4 Å²	35.4	44%	0.436	20%	0.204	S	C	.	.	H	α-helix	trans	-54.9	-37.5	170	173.7	0	0	0	0	112.1	L404 P432 E433 P440	L404-V436 HydrophobicContact CD1-CG1 4.37Å; P432-V436 WeakPolarHBondContact O-CG2 3.5Å; P432-V436 PolarHBondContact O-N 3.33Å; P432-V436 VanDerWaalsContact O-N 3.14Å; E433-V436 PolarHBondContact O-N 3.37Å; V436-P440 WeakPolarHBondContact O-CD 3.29Å
437	C	89.3	Confident	88.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-83.4	-13.8	177.9	-64.7	0	0	0	0	114.2	S407 M408 L411 E433 I434 F435 S445 V449	S407-C437 VanDerWaalsContact CB-SG 3.59Å; M408-C437 HydrophobicContact CG-CB 4.27Å; M408-C437 VanDerWaalsContact CG-SG 3.58Å; L411-C437 HydrophobicContact CD1-CB 3.89Å; E433-C437 WeakPolarHBondContact O-CB 3.38Å; E433-C437 PolarHBondContact O-N 3.04Å; E433-C437 PolarHBondContact O-SG 3.46Å; I434-C437 PolarHBondContact O-N 3.17Å; F435-C437 PolarHBondContact O-N 2.91Å; C437-S445 WeakPolarHBondContact O-CB 3.43Å; C437-S445 PolarHBondContact O-OG 3.01Å; C437-V449 HydrophobicContact CB-CG2 3.58Å
438	L	88.4	Confident	88.3	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-85.8	-41.6	-179.5	-176	55.7	0	0	0	112.3	I434 F435 G441 L446 V449 L473 I476 I486 A489	I434-L438 WeakPolarHBondContact O-CB 3.35Å; I434-L438 PolarHBondContact O-N 3.15Å; F435-L438 HydrophobicContact CD1-CD2 4.46Å; F435-L438 WeakPolarHBondContact O-CB 3.39Å; F435-L438 PolarHBondContact O-N 2.93Å; L438-G441 PolarHBondContact O-N 3.34Å; L438-L446 HydrophobicContact CD1-CD2 3.6Å; L438-V449 HydrophobicContact CB-CG2 4.4Å; L438-L473 HydrophobicContact CD2-CD2 3.92Å; L438-I476 HydrophobicContact CD2-CD1 4.02Å; L438-I476 HydrophobicContact CD2-CG2 4.03Å; L438-I476 HydrophobicContact CG-CG2 4.17Å; L438-I486 HydrophobicContact CD1-CG2 4.16Å; L438-I486 HydrophobicContact CG-CG2 4.3Å; L438-A489 HydrophobicContact CD1-CB 4.27Å
439	E	84.8	Confident	88.6	Confident	85 Å²	85	32.5 Å²	32.5	40%	0.397	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-41.1	180	-60.7	-77	-177.9	0	0	114.9	F435 G441 R479	F435-E439 WeakPolarHBondContact O-CG 3.28Å; F435-E439 PolarHBondContact O-N 3.42Å; E439-G441 PolarHBondContact O-N 3.44Å; E439-G441 VanDerWaalsContact O-N 3.16Å; E439-R479 IonicContact OE1-CZ 3.64Å; E439-R479 IonicContact OE1-NH1 3.66Å; E439-R479 PolarHBondContact OE1-NH1 2.88Å; E439-R479 IonicContact OE1-NH2 3.78Å; E439-R479 IonicContact OE2-NH1 2.73Å; E439-R479 PolarHBondContact OE2-NH1 3.28Å; E439-R479 VanDerWaalsContact OE2-NH1 3.14Å
440	P	85.3	Confident	88.5	Confident	55 Å²	55	32.9 Å²	32.9	36%	0.357	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.2	-176	-22.2	35	0	0	0	114.8	L404 V436 T442	L404-P440 HydrophobicContact CD1-CG 3.9Å; L404-P440 HydrophobicContact CD2-CB 4.21Å; L404-P440 HydrophobicContact CD2-CG 3.58Å; L404-P440 HydrophobicContact CG-CG 4.41Å; V436-P440 WeakPolarHBondContact O-CD 3.29Å; P440-T442 HydrophobicContact CB-CG2 4.05Å; P440-T442 PolarHBondContact O-N 3.28Å
441	G	83.2	Confident	88.4	Confident	14 Å²	14	36 Å²	36	14%	0.144	20%	0.201	C	C	.	.			trans	60	11.4	179.2	0	0	0	0	0	116.4	L438 E439	L438-G441 PolarHBondContact O-N 3.34Å; E439-G441 PolarHBondContact O-N 3.44Å; E439-G441 VanDerWaalsContact O-N 3.16Å
442	T	87.3	Confident	88.6	Confident	60 Å²	60	35.9 Å²	35.9	37%	0.368	20%	0.2	S	C	.	.			trans	-73.4	144.3	-177.7	72.5	0	0	0	0	110.6	P440 K444 S445 L446	P440-T442 HydrophobicContact CB-CG2 4.05Å; P440-T442 PolarHBondContact O-N 3.28Å; T442-K444 PolarHBondContact O-N 2.82Å; T442-K444 VanDerWaalsContact O-N 3.12Å; T442-S445 PolarHBondContact N-OG 3.16Å; T442-S445 PolarHBondContact O-N 2.84Å; T442-S445 PolarHBondContact O-OG 2.81Å; T442-S445 WeakPolarHBondContact OG1-CB 3.44Å; T442-S445 PolarHBondContact OG1-N 3.09Å; T442-S445 VanDerWaalsContact OG1-N 3.09Å; T442-S445 PolarHBondContact OG1-OG 3.37Å; T442-L446 WeakPolarHBondContact O-CG 3.35Å; T442-L446 PolarHBondContact O-N 3.1Å
443	P	86.7	Confident	88.6	Confident	99 Å²	99	33.2 Å²	33.2	64%	0.643	18%	0.182	S	C	*	.	H	α-helix	trans	-53	-39.4	-179.2	-28.2	35.4	0	0	0	113.5	E447	P443-E447 WeakPolarHBondContact O-CB 3.45Å; P443-E447 PolarHBondContact O-N 3.27Å
444	K	86.9	Confident	88.5	Confident	78 Å²	78	34.4 Å²	34.4	34%	0.339	19%	0.193	S	C	.	.	H	α-helix	trans	-67.6	-48	176.5	-168.3	-170.7	171.7	-165.6	0	112.2	M408 T442 L446 E447 T448	M408-K444 HydrophobicContact CE-CB 4.05Å; M408-K444 HydrophobicContact CE-CD 3.59Å; M408-K444 HydrophobicContact CE-CG 3.6Å; T442-K444 PolarHBondContact O-N 2.82Å; T442-K444 VanDerWaalsContact O-N 3.12Å; K444-L446 VanDerWaalsContact C-N 3.33Å; K444-L446 PolarHBondContact O-N 3.04Å; K444-E447 PolarHBondContact O-N 3.48Å; K444-T448 WeakPolarHBondContact O-CB 3.35Å; K444-T448 PolarHBondContact O-N 2.9Å; K444-T448 PolarHBondContact O-OG1 3.31Å; K444-T448 VanDerWaalsContact O-OG1 3.13Å
445	S	89.9	Confident	88.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.6	-33.1	-176.5	77.1	0	0	0	0	112.5	C437 T442 V449	C437-S445 WeakPolarHBondContact O-CB 3.43Å; C437-S445 PolarHBondContact O-OG 3.01Å; T442-S445 PolarHBondContact N-OG 3.16Å; T442-S445 PolarHBondContact O-N 2.84Å; T442-S445 PolarHBondContact O-OG 2.81Å; T442-S445 WeakPolarHBondContact OG1-CB 3.44Å; T442-S445 PolarHBondContact OG1-N 3.09Å; T442-S445 VanDerWaalsContact OG1-N 3.09Å; T442-S445 PolarHBondContact OG1-OG 3.37Å; S445-V449 WeakPolarHBondContact O-CB 3.49Å; S445-V449 WeakPolarHBondContact O-CG2 3.32Å; S445-V449 PolarHBondContact O-N 3.05Å
446	L	89.7	Confident	88.5	Confident	13 Å²	13	35 Å²	35	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-44.5	169.6	-61.4	-178.1	0	0	0	111.8	L438 T442 K444 V449 Q450 K485 I486 A489	L438-L446 HydrophobicContact CD1-CD2 3.6Å; T442-L446 WeakPolarHBondContact O-CG 3.35Å; T442-L446 PolarHBondContact O-N 3.1Å; K444-L446 VanDerWaalsContact C-N 3.33Å; K444-L446 PolarHBondContact O-N 3.04Å; L446-V449 PolarHBondContact O-N 3.33Å; L446-Q450 VanDerWaalsContact O-CB 3.32Å; L446-Q450 WeakPolarHBondContact O-CB 3.49Å; L446-Q450 VanDerWaalsContact O-CG 3.29Å; L446-Q450 WeakPolarHBondContact O-CG 3.3Å; L446-Q450 PolarHBondContact O-N 3.01Å; L446-K485 HydrophobicContact CD1-CB 3.85Å; L446-I486 HydrophobicContact CD2-CG1 4.5Å; L446-A489 HydrophobicContact CB-CB 4.28Å; L446-A489 HydrophobicContact CD1-CB 4.29Å; L446-A489 HydrophobicContact CD2-CB 3.76Å; L446-A489 HydrophobicContact CG-CB 4.32Å
447	E	88.6	Confident	88.4	Confident	70 Å²	70	32.4 Å²	32.4	33%	0.327	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-43.8	175.2	175.5	163.8	-119.2	0	0	112.3	P443 K444 Q450 N451 R679	P443-E447 WeakPolarHBondContact O-CB 3.45Å; P443-E447 PolarHBondContact O-N 3.27Å; K444-E447 PolarHBondContact O-N 3.48Å; E447-Q450 WeakPolarHBondContact O-CB 3.46Å; E447-Q450 PolarHBondContact O-N 3Å; E447-N451 WeakPolarHBondContact CG-ND2 3.35Å; E447-N451 VanDerWaalsContact O-CG 3.26Å; E447-N451 PolarHBondContact O-N 3.07Å; E447-N451 PolarHBondContact O-ND2 3.44Å; E447-N451 VanDerWaalsContact O-ND2 3.14Å; E447-R679 IonicContact OE1-CZ 3.44Å; E447-R679 IonicContact OE1-NE 3.28Å; E447-R679 IonicContact OE1-NH1 2.74Å; E447-R679 PolarHBondContact OE1-NH1 3.02Å; E447-R679 IonicContact OE1-NH2 2.69Å; E447-R679 PolarHBondContact OE1-NH2 3.33Å; E447-R679 IonicContact OE2-CZ 3.33Å; E447-R679 IonicContact OE2-NH1 3.86Å; E447-R679 PolarHBondContact OE2-NH1 3.43Å
448	T	90.8	Very high	88.2	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-56.3	-51.5	174.7	-68.1	0	0	0	0	112	M408 L411 D412 K444 Q450 N451 A452	M408-T448 HydrophobicContact CB-CG2 4.12Å; M408-T448 HydrophobicContact CG-CG2 4.33Å; M408-T448 VanDerWaalsContact O-CG2 3.27Å; M408-T448 WeakPolarHBondContact O-CG2 3.32Å; L411-T448 HydrophobicContact CB-CG2 3.57Å; L411-T448 HydrophobicContact CD1-CG2 4.25Å; D412-T448 VanDerWaalsContact CG-OG1 3.23Å; D412-T448 VanDerWaalsContact OD1-CA 3.3Å; D412-T448 WeakPolarHBondContact OD1-CA 3.45Å; D412-T448 WeakPolarHBondContact OD1-CB 3.43Å; D412-T448 VanDerWaalsContact OD1-CG2 3.28Å; D412-T448 WeakPolarHBondContact OD1-CG2 3.46Å; D412-T448 PolarHBondContact OD1-OG1 3.3Å; D412-T448 PolarHBondContact OD2-OG1 2.85Å; K444-T448 WeakPolarHBondContact O-CB 3.35Å; K444-T448 PolarHBondContact O-N 2.9Å; K444-T448 PolarHBondContact O-OG1 3.31Å; K444-T448 VanDerWaalsContact O-OG1 3.13Å; T448-Q450 VanDerWaalsContact C-N 3.3Å; T448-Q450 PolarHBondContact O-N 3.02Å; T448-N451 PolarHBondContact O-N 2.94Å; T448-A452 WeakPolarHBondContact O-CB 3.32Å; T448-A452 PolarHBondContact O-N 3.05Å
449	V	92	Very high	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-44.9	175.6	159.8	0	0	0	0	111.3	L411 I434 C437 L438 S445 L446 N451 A452 I453	L411-V449 HydrophobicContact CD1-CG2 4.39Å; I434-V449 HydrophobicContact CG2-CG1 3.79Å; I434-V449 HydrophobicContact CG2-CG2 4.17Å; I434-V449 VanDerWaalsContact O-CG2 3.31Å; I434-V449 WeakPolarHBondContact O-CG2 3.42Å; C437-V449 HydrophobicContact CB-CG2 3.58Å; L438-V449 HydrophobicContact CB-CG2 4.4Å; S445-V449 WeakPolarHBondContact O-CB 3.49Å; S445-V449 WeakPolarHBondContact O-CG2 3.32Å; S445-V449 PolarHBondContact O-N 3.05Å; L446-V449 PolarHBondContact O-N 3.33Å; V449-N451 VanDerWaalsContact C-N 3.35Å; V449-N451 PolarHBondContact O-N 3.28Å; V449-A452 PolarHBondContact O-N 3.39Å; V449-I453 HydrophobicContact CG1-CD1 3.99Å; V449-I453 WeakPolarHBondContact O-CG1 3.29Å; V449-I453 PolarHBondContact O-N 2.83Å
450	Q	87.7	Confident	88.2	Confident	39 Å²	39	38.4 Å²	38.4	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-33.1	179	-83.6	-158.2	52.3	0	0	114.4	L446 E447 T448 S454 E492 K496	L446-Q450 VanDerWaalsContact O-CB 3.32Å; L446-Q450 WeakPolarHBondContact O-CB 3.49Å; L446-Q450 VanDerWaalsContact O-CG 3.29Å; L446-Q450 WeakPolarHBondContact O-CG 3.3Å; L446-Q450 PolarHBondContact O-N 3.01Å; E447-Q450 WeakPolarHBondContact O-CB 3.46Å; E447-Q450 PolarHBondContact O-N 3Å; T448-Q450 VanDerWaalsContact C-N 3.3Å; T448-Q450 PolarHBondContact O-N 3.02Å; Q450-S454 PolarHBondContact O-OG 3.31Å; Q450-E492 PolarHBondContact NE2-OE2 3.12Å; Q450-K496 PolarHBondContact O-NZ 2.7Å
451	N	89.1	Confident	88.1	Confident	66 Å²	66	38.9 Å²	38.9	35%	0.353	21%	0.206	S	C	.	.	H	α-helix	trans	-74.9	-48.9	175.5	-70.5	-32.7	0	0	0	110.4	E447 T448 V449 I453 S454 V455	E447-N451 WeakPolarHBondContact CG-ND2 3.35Å; E447-N451 VanDerWaalsContact O-CG 3.26Å; E447-N451 PolarHBondContact O-N 3.07Å; E447-N451 PolarHBondContact O-ND2 3.44Å; E447-N451 VanDerWaalsContact O-ND2 3.14Å; T448-N451 PolarHBondContact O-N 2.94Å; V449-N451 VanDerWaalsContact C-N 3.35Å; V449-N451 PolarHBondContact O-N 3.28Å; N451-I453 PolarHBondContact O-N 3.23Å; N451-S454 WeakPolarHBondContact O-CA 3.42Å; N451-S454 VanDerWaalsContact O-CB 3.29Å; N451-S454 WeakPolarHBondContact O-CB 3.42Å; N451-S454 PolarHBondContact O-N 3.02Å; N451-V455 PolarHBondContact O-N 3.44Å
452	A	91.8	Very high	88	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-45.1	179	0	0	0	0	0	112.3	L411 T448 V449 S454 V455 L456	L411-A452 HydrophobicContact CB-CB 3.82Å; L411-A452 HydrophobicContact CD2-CB 3.95Å; L411-A452 HydrophobicContact CG-CB 4.33Å; T448-A452 WeakPolarHBondContact O-CB 3.32Å; T448-A452 PolarHBondContact O-N 3.05Å; V449-A452 PolarHBondContact O-N 3.39Å; A452-S454 PolarHBondContact O-N 2.84Å; A452-V455 CarbonylContact O-C 3.54Å; A452-V455 WeakPolarHBondContact O-CA 3.32Å; A452-V455 WeakPolarHBondContact O-CB 3.3Å; A452-V455 PolarHBondContact O-N 3.03Å; A452-L456 HydrophobicContact CB-CD1 4.05Å; A452-L456 WeakPolarHBondContact O-CB 3.48Å; A452-L456 WeakPolarHBondContact O-CG 3.45Å; A452-L456 PolarHBondContact O-N 2.72Å
453	I	90.5	Very high	87.8	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-31.1	176.2	-73.6	171.4	0	0	0	112.1	I434 V449 N451 V455 S457 C493 K496 L497	I434-I453 HydrophobicContact CD1-CD1 4.42Å; I434-I453 HydrophobicContact CD1-CG1 4Å; I434-I453 HydrophobicContact CG2-CD1 3.87Å; I434-I453 HydrophobicContact CG2-CG1 4.37Å; V449-I453 HydrophobicContact CG1-CD1 3.99Å; V449-I453 WeakPolarHBondContact O-CG1 3.29Å; V449-I453 PolarHBondContact O-N 2.83Å; N451-I453 PolarHBondContact O-N 3.23Å; I453-V455 PolarHBondContact O-N 3.29Å; I453-S457 WeakPolarHBondContact O-CB 3.38Å; I453-S457 PolarHBondContact O-N 2.92Å; I453-S457 PolarHBondContact O-OG 3.01Å; I453-C493 HydrophobicContact CD1-CB 3.7Å; I453-C493 VanDerWaalsContact CD1-SG 3.57Å; I453-K496 HydrophobicContact CG2-CB 4.04Å; I453-L497 HydrophobicContact CG2-CD2 4.33Å; I453-L497 HydrophobicContact CG2-CG 4.35Å
454	S	88.3	Confident	87.5	Confident	44 Å²	44	38 Å²	38	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-69.7	-19.4	174.4	-52.9	0	0	0	0	113.3	Q450 N451 A452 K496	Q450-S454 PolarHBondContact O-OG 3.31Å; N451-S454 WeakPolarHBondContact O-CA 3.42Å; N451-S454 VanDerWaalsContact O-CB 3.29Å; N451-S454 WeakPolarHBondContact O-CB 3.42Å; N451-S454 PolarHBondContact O-N 3.02Å; A452-S454 PolarHBondContact O-N 2.84Å; S454-K496 WeakPolarHBondContact OG-CD 3.46Å; S454-K496 WeakPolarHBondContact OG-CE 3.34Å
455	V	89.4	Confident	87.3	Confident	32 Å²	32	34.2 Å²	34.2	19%	0.194	18%	0.176	C	C	.	.	H	α-helix	trans	-92.7	-54.9	173.5	-180	0	0	0	0	110.4	D415 I418 N451 A452 I453 S457 K458	D415-V455 HydrophobicContact CB-CG1 4.1Å; D415-V455 HydrophobicContact CB-CG2 4.38Å; I418-V455 HydrophobicContact CD1-CG1 4.14Å; I418-V455 HydrophobicContact CG2-CG1 4.32Å; N451-V455 PolarHBondContact O-N 3.44Å; A452-V455 CarbonylContact O-C 3.54Å; A452-V455 WeakPolarHBondContact O-CA 3.32Å; A452-V455 WeakPolarHBondContact O-CB 3.3Å; A452-V455 PolarHBondContact O-N 3.03Å; I453-V455 PolarHBondContact O-N 3.29Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.95Å; V455-K458 WeakPolarHBondContact O-CB 3.44Å; V455-K458 PolarHBondContact O-N 2.78Å
456	L	89.5	Confident	87	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-37.2	-175.6	-69.6	160.5	0	0	0	113	I418 I426 L430 I434 A452 K458 Y459 L460	I418-L456 HydrophobicContact CD1-CD2 3.61Å; I418-L456 HydrophobicContact CD1-CG 4.27Å; I426-L456 HydrophobicContact CG2-CD2 3.84Å; L430-L456 HydrophobicContact CB-CD2 4.26Å; L430-L456 HydrophobicContact CD1-CD2 3.89Å; I434-L456 HydrophobicContact CD1-CD1 3.87Å; I434-L456 HydrophobicContact CG1-CD1 4.39Å; A452-L456 HydrophobicContact CB-CD1 4.05Å; A452-L456 WeakPolarHBondContact O-CB 3.48Å; A452-L456 WeakPolarHBondContact O-CG 3.45Å; A452-L456 PolarHBondContact O-N 2.72Å; L456-K458 PolarHBondContact O-N 3.25Å; L456-Y459 PolarHBondContact O-N 2.93Å; L456-L460 HydrophobicContact CB-CD1 4Å; L456-L460 WeakPolarHBondContact O-CG 3.39Å; L456-L460 PolarHBondContact O-N 2.99Å
457	S	87.1	Confident	86.7	Confident	17 Å²	17	42.8 Å²	42.8	12%	0.119	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-18.2	177.5	53	0	0	0	0	114.7	I453 V455 K500	I453-S457 WeakPolarHBondContact O-CB 3.38Å; I453-S457 PolarHBondContact O-N 2.92Å; I453-S457 PolarHBondContact O-OG 3.01Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.95Å; S457-K500 WeakPolarHBondContact O-CE 3.47Å; S457-K500 WeakPolarHBondContact O-CG 3.3Å; S457-K500 PolarHBondContact O-NZ 3.3Å
458	K	86.4	Confident	86.4	Confident	142 Å²	142	41.1 Å²	41.1	62%	0.617	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-36.2	173.3	-62.3	174.3	-174.1	174.3	0	112.2	V455 L456 K500	V455-K458 WeakPolarHBondContact O-CB 3.44Å; V455-K458 PolarHBondContact O-N 2.78Å; L456-K458 PolarHBondContact O-N 3.25Å; K458-K500 PolarHBondContact O-NZ 3.48Å
459	Y	86.1	Confident	86.2	Confident	65 Å²	65	41.2 Å²	41.2	26%	0.255	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-22	-171.5	-56.2	-84	0	0	0	113.7	I418 H419 Q423 L456	I418-Y459 HydrophobicContact CD1-CD2 3.25Å; I418-Y459 HydrophobicContact CD1-CE2 3.64Å; I418-Y459 HydrophobicContact CD1-CG 3.96Å; I418-Y459 HydrophobicContact CG1-CD2 3.78Å; I418-Y459 HydrophobicContact CG1-CE2 3.99Å; I418-Y459 HydrophobicContact CG1-CG 4.13Å; I418-Y459 HydrophobicContact CG2-CE2 3.91Å; H419-Y459 PolarHBondContact CE1-OH 2.86Å; H419-Y459 PolarHBondContact NE2-OH 2.96Å; Q423-Y459 PolarHBondContact NE2-O 2.83Å; L456-Y459 PolarHBondContact O-N 2.93Å
460	L	85.3	Confident	85.9	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	22%	0.216	C	C	.	.			trans	-69.8	138.7	177.6	-69.4	163.9	0	0	0	112.3	I426 L431 L456 Q464 I465 I469 K500	I426-L460 HydrophobicContact CG2-CD2 3.93Å; L431-L460 HydrophobicContact CD1-CD2 4.11Å; L431-L460 HydrophobicContact CD2-CD1 4.17Å; L431-L460 HydrophobicContact CD2-CD2 4.02Å; L431-L460 HydrophobicContact CG-CD2 4.41Å; L456-L460 HydrophobicContact CB-CD1 4Å; L456-L460 WeakPolarHBondContact O-CG 3.39Å; L456-L460 PolarHBondContact O-N 2.99Å; L460-Q464 HydrophobicContact CD2-CB 4.37Å; L460-I465 HydrophobicContact CB-CD1 4.07Å; L460-I465 HydrophobicContact CB-CG1 3.93Å; L460-I465 HydrophobicContact CD1-CG1 4.44Å; L460-I469 HydrophobicContact CD1-CD1 3.63Å; L460-I469 HydrophobicContact CD2-CD1 4.48Å; L460-K500 PolarHBondContact O-NZ 2.98Å
461	N	83	Confident	85.9	Confident	65 Å²	65	42.5 Å²	42.5	35%	0.348	23%	0.227	S	C	.	.			trans	-87.7	154.6	172.8	-66.8	-25.5	0	0	0	110.9	Q423 T463 Q464 I465	Q423-N461 VanDerWaalsContact CD-ND2 3.34Å; Q423-N461 PolarHBondContact NE2-ND2 3.08Å; Q423-N461 PolarHBondContact NE2-OD1 3.22Å; Q423-N461 PolarHBondContact OE1-ND2 3.13Å; N461-T463 VanDerWaalsContact C-N 3.3Å; N461-T463 PolarHBondContact O-N 2.68Å; N461-Q464 HydrophobicContact CB-CG 4.46Å; N461-Q464 PolarHBondContact O-N 3.26Å; N461-I465 WeakPolarHBondContact O-CG1 3.38Å; N461-I465 PolarHBondContact O-N 3.09Å; N461-I465 VanDerWaalsContact O-N 3.15Å
462	N	81.3	Confident	85.8	Confident	44 Å²	44	43.3 Å²	43.3	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-42.1	-178.3	-177.5	53	0	0	0	112.5	Q464 I465 V466 K500 L501 T502	N462-Q464 PolarHBondContact O-N 2.77Å; N462-I465 PolarHBondContact O-N 3.14Å; N462-V466 WeakPolarHBondContact O-CB 3.2Å; N462-V466 WeakPolarHBondContact O-CG2 3.19Å; N462-V466 PolarHBondContact O-N 3.33Å; N462-K500 PolarHBondContact OD1-O 2.76Å; N462-L501 WeakPolarHBondContact OD1-CA 3.41Å; N462-T502 WeakPolarHBondContact ND2-CG2 3.29Å; N462-T502 PolarHBondContact ND2-OG1 3.3Å; N462-T502 PolarHBondContact OD1-N 3.5Å
463	T	83.2	Confident	85.5	Confident	83 Å²	83	43.7 Å²	43.7	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-55.6	-50.5	175.9	45.5	0	0	0	0	112.4	N461 I465 V466 Q467	N461-T463 VanDerWaalsContact C-N 3.3Å; N461-T463 PolarHBondContact O-N 2.68Å; T463-I465 PolarHBondContact O-N 3.14Å; T463-V466 PolarHBondContact O-N 2.63Å; T463-Q467 WeakPolarHBondContact O-CB 3.33Å; T463-Q467 WeakPolarHBondContact O-CG 3.36Å; T463-Q467 PolarHBondContact O-N 2.69Å
464	Q	80.4	Confident	85.4	Confident	27 Å²	27	44.9 Å²	44.9	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-46.3	178.6	-63.2	175.3	-48.4	0	0	111.5	Q423 L460 N461 N462 V466 S468	Q423-Q464 PolarHBondContact O-NE2 3.14Å; L460-Q464 HydrophobicContact CD2-CB 4.37Å; N461-Q464 HydrophobicContact CB-CG 4.46Å; N461-Q464 PolarHBondContact O-N 3.26Å; N462-Q464 PolarHBondContact O-N 2.77Å; Q464-V466 VanDerWaalsContact C-N 3.33Å; Q464-V466 PolarHBondContact O-N 2.83Å; Q464-S468 PolarHBondContact O-N 2.88Å; Q464-S468 PolarHBondContact O-OG 3.06Å
465	I	82.5	Confident	85.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-59.7	-45.6	179	-62.7	161.4	0	0	0	110.4	L460 N461 N462 T463 I469 L470 L497 K500 L501	L460-I465 HydrophobicContact CB-CD1 4.07Å; L460-I465 HydrophobicContact CB-CG1 3.93Å; L460-I465 HydrophobicContact CD1-CG1 4.44Å; N461-I465 WeakPolarHBondContact O-CG1 3.38Å; N461-I465 PolarHBondContact O-N 3.09Å; N461-I465 VanDerWaalsContact O-N 3.15Å; N462-I465 PolarHBondContact O-N 3.14Å; T463-I465 PolarHBondContact O-N 3.14Å; I465-I469 HydrophobicContact CG1-CD1 4.23Å; I465-I469 WeakPolarHBondContact O-CB 3.48Å; I465-I469 PolarHBondContact O-N 3.04Å; I465-I469 VanDerWaalsContact O-N 3.14Å; I465-L470 HydrophobicContact CG2-CG 4.33Å; I465-L470 PolarHBondContact O-N 3.09Å; I465-L497 HydrophobicContact CD1-CD2 4.23Å; I465-L497 HydrophobicContact CG1-CD2 4.3Å; I465-L497 HydrophobicContact CG2-CB 4.39Å; I465-L497 HydrophobicContact CG2-CD1 4.15Å; I465-L497 HydrophobicContact CG2-CD2 4.35Å; I465-K500 HydrophobicContact CD1-CB 3.64Å; I465-K500 HydrophobicContact CD1-CG 4.39Å; I465-L501 HydrophobicContact CB-CD2 4.39Å; I465-L501 HydrophobicContact CG2-CD2 3.7Å
466	V	84.8	Confident	85.2	Confident	40 Å²	40	46.3 Å²	46.3	24%	0.242	24%	0.235	C	C	.	.	I	π-helix	trans	-74.7	-36.7	-174.9	174.4	0	0	0	0	112.6	N462 T463 Q464 L470 P471 L501 T505	N462-V466 WeakPolarHBondContact O-CB 3.2Å; N462-V466 WeakPolarHBondContact O-CG2 3.19Å; N462-V466 PolarHBondContact O-N 3.33Å; T463-V466 PolarHBondContact O-N 2.63Å; Q464-V466 VanDerWaalsContact C-N 3.33Å; Q464-V466 PolarHBondContact O-N 2.83Å; V466-L470 HydrophobicContact CG2-CD1 4.16Å; V466-P471 WeakPolarHBondContact O-CD 3.18Å; V466-L501 HydrophobicContact CG2-CD2 3.78Å; V466-T505 HydrophobicContact CB-CG2 4.38Å; V466-T505 HydrophobicContact CG1-CG2 3.82Å; V466-T505 HydrophobicContact CG2-CG2 3.56Å
467	Q	83.7	Confident	85.1	Confident	153 Å²	153	47 Å²	47	72%	0.715	24%	0.238	S	C	*	.	I	π-helix	trans	-88.7	-27	-174.8	-68.2	175.3	-39.8	0	0	114	T463	T463-Q467 WeakPolarHBondContact O-CB 3.33Å; T463-Q467 WeakPolarHBondContact O-CG 3.36Å; T463-Q467 PolarHBondContact O-N 2.69Å
468	S	82	Confident	85	Confident	35 Å²	35	51.1 Å²	51.1	25%	0.245	26%	0.258	C	S	.	.	I	π-helix	trans	-113.6	-50	-179.5	65.9	0	0	0	0	113.3	L431 Q464 Q472	L431-S468 WeakPolarHBondContact CD1-OG 3.22Å; Q464-S468 PolarHBondContact O-N 2.88Å; Q464-S468 PolarHBondContact O-OG 3.06Å; S468-Q472 WeakPolarHBondContact O-CG 3.44Å; S468-Q472 PolarHBondContact O-N 3.44Å; S468-Q472 PolarHBondContact O-OE1 3.43Å
469	I	86	Confident	84.9	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.245	C	C	.	.	I	π-helix	trans	-79	-47.6	-168.8	-51.3	-179.2	0	0	0	112.1	L431 F435 L460 I465 Q472 L473 L497	L431-I469 HydrophobicContact CD1-CD1 3.99Å; L431-I469 HydrophobicContact CD1-CG1 3.87Å; L431-I469 HydrophobicContact CD2-CD1 3.65Å; L431-I469 HydrophobicContact CD2-CG1 4.13Å; L431-I469 HydrophobicContact CG-CD1 4.49Å; F435-I469 HydrophobicContact CZ-CG2 4.28Å; L460-I469 HydrophobicContact CD1-CD1 3.63Å; L460-I469 HydrophobicContact CD2-CD1 4.48Å; I465-I469 HydrophobicContact CG1-CD1 4.23Å; I465-I469 WeakPolarHBondContact O-CB 3.48Å; I465-I469 PolarHBondContact O-N 3.04Å; I465-I469 VanDerWaalsContact O-N 3.14Å; I469-Q472 PolarHBondContact O-N 3.12Å; I469-L473 HydrophobicContact CG2-CD1 3.74Å; I469-L473 HydrophobicContact CG2-CG 4.05Å; I469-L473 WeakPolarHBondContact O-CB 3.3Å; I469-L473 WeakPolarHBondContact O-CG 3.5Å; I469-L473 PolarHBondContact O-N 3.13Å; I469-L497 HydrophobicContact CG2-CD1 3.91Å
470	L	86.4	Confident	83.8	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-45	-179.5	-65.5	-174.3	0	0	0	113	I465 V466 K474 L494 L501 V510	I465-L470 HydrophobicContact CG2-CG 4.33Å; I465-L470 PolarHBondContact O-N 3.09Å; V466-L470 HydrophobicContact CG2-CD1 4.16Å; L470-K474 WeakPolarHBondContact O-CB 3.31Å; L470-K474 WeakPolarHBondContact O-CG 3.28Å; L470-K474 PolarHBondContact O-N 3.39Å; L470-L494 HydrophobicContact CD2-CD1 3.43Å; L470-L494 VanDerWaalsContact CD2-CD1 3.43Å; L470-L501 HydrophobicContact CD1-CD1 4.47Å; L470-L501 HydrophobicContact CD1-CD2 4.07Å; L470-V510 HydrophobicContact CD1-CG2 3.8Å; L470-V510 HydrophobicContact CD2-CG2 4.45Å
471	P	87.8	Confident	82.7	Confident	65 Å²	65	61.5 Å²	61.5	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-44.9	178.4	-24.2	36.1	0	0	0	112.4	V466 K474 E475	V466-P471 WeakPolarHBondContact O-CD 3.18Å; P471-K474 PolarHBondContact O-N 3.21Å; P471-E475 WeakPolarHBondContact O-CB 3.32Å; P471-E475 PolarHBondContact O-N 2.97Å
472	Q	85.7	Confident	82.1	Confident	82 Å²	82	58.9 Å²	58.9	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-71.1	-37.7	-177.2	-69.2	177.5	-23.8	0	0	112.4	F435 S468 I469 E475 I476	F435-Q472 HydrophobicContact CD1-CB 4.02Å; F435-Q472 VanDerWaalsContact CD2-OE1 3.28Å; F435-Q472 HydrophobicContact CE1-CB 3.67Å; F435-Q472 HydrophobicContact CE2-CB 4.33Å; F435-Q472 HydrophobicContact CG-CB 4.48Å; F435-Q472 HydrophobicContact CZ-CB 3.85Å; S468-Q472 WeakPolarHBondContact O-CG 3.44Å; S468-Q472 PolarHBondContact O-N 3.44Å; S468-Q472 PolarHBondContact O-OE1 3.43Å; I469-Q472 PolarHBondContact O-N 3.12Å; Q472-E475 PolarHBondContact O-N 3.06Å; Q472-I476 WeakPolarHBondContact O-CB 3.35Å; Q472-I476 WeakPolarHBondContact O-CG1 3.28Å; Q472-I476 PolarHBondContact O-N 2.82Å
473	L	87.1	Confident	82	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-41.8	170.4	-73.4	-179.4	0	0	0	112.1	F435 L438 I469 Y477 C490 C493 L497	F435-L473 HydrophobicContact CE1-CD2 4.15Å; F435-L473 HydrophobicContact CE1-CG 4.28Å; L438-L473 HydrophobicContact CD2-CD2 3.92Å; I469-L473 HydrophobicContact CG2-CD1 3.74Å; I469-L473 HydrophobicContact CG2-CG 4.05Å; I469-L473 WeakPolarHBondContact O-CB 3.3Å; I469-L473 WeakPolarHBondContact O-CG 3.5Å; I469-L473 PolarHBondContact O-N 3.13Å; L473-Y477 VanDerWaalsContact O-CB 3.29Å; L473-Y477 WeakPolarHBondContact O-CB 3.44Å; L473-Y477 PolarHBondContact O-N 3.49Å; L473-C490 HydrophobicContact CD2-CB 4.48Å; L473-C493 HydrophobicContact CD1-CB 4.33Å; L473-L497 HydrophobicContact CD1-CD1 4.42Å
474	K	87.7	Confident	82.1	Confident	32 Å²	32	59 Å²	59	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-40.4	176.5	-76.1	172.3	171.1	-174.9	0	111.8	L470 P471 N478 D509 F513	L470-K474 WeakPolarHBondContact O-CB 3.31Å; L470-K474 WeakPolarHBondContact O-CG 3.28Å; L470-K474 PolarHBondContact O-N 3.39Å; P471-K474 PolarHBondContact O-N 3.21Å; K474-N478 VanDerWaalsContact O-CB 3.3Å; K474-N478 WeakPolarHBondContact O-CB 3.38Å; K474-N478 VanDerWaalsContact O-CG 3.24Å; K474-N478 PolarHBondContact O-N 3.06Å; K474-N478 PolarHBondContact O-ND2 3.45Å; K474-N478 VanDerWaalsContact O-ND2 3.15Å; K474-D509 PolarHBondContact NZ-O 3.16Å; K474-D509 IonicContact NZ-OD1 2.68Å; K474-D509 PolarHBondContact NZ-OD1 2.91Å; K474-D509 IonicContact NZ-OD2 2.69Å; K474-D509 PolarHBondContact NZ-OD2 3.23Å; K474-F513 HydrophobicContact CB-CE2 4.41Å; K474-F513 HydrophobicContact CD-CD2 4.36Å; K474-F513 HydrophobicContact CD-CG 4.33Å; K474-F513 HydrophobicContact CG-CD1 4.24Å; K474-F513 HydrophobicContact CG-CD2 3.95Å; K474-F513 HydrophobicContact CG-CE1 4.23Å; K474-F513 HydrophobicContact CG-CE2 3.94Å; K474-F513 HydrophobicContact CG-CG 4.1Å; K474-F513 HydrophobicContact CG-CZ 4.08Å
475	E	87.5	Confident	82.4	Confident	99 Å²	99	62.7 Å²	62.7	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-54	176.4	-161	-153.7	128.9	0	0	111.2	P471 Q472 Y477 N478 R479	P471-E475 WeakPolarHBondContact O-CB 3.32Å; P471-E475 PolarHBondContact O-N 2.97Å; Q472-E475 PolarHBondContact O-N 3.06Å; E475-Y477 VanDerWaalsContact C-N 3.26Å; E475-Y477 PolarHBondContact O-N 3.31Å; E475-N478 CarbonylContact O-C 3.56Å; E475-N478 PolarHBondContact O-N 3.45Å; E475-R479 WeakPolarHBondContact O-CG 3.34Å; E475-R479 PolarHBondContact O-N 2.84Å; E475-R479 IonicContact OE1-CZ 2.69Å; E475-R479 IonicContact OE1-NE 2.87Å; E475-R479 PolarHBondContact OE1-NE 2.69Å; E475-R479 IonicContact OE1-NH2 2.69Å; E475-R479 PolarHBondContact OE1-NH2 2.93Å
476	I	85.3	Confident	82.6	Confident	6 Å²	6	63.3 Å²	63.3	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-32.3	-178.4	-67.7	167.1	0	0	0	112	F435 L438 Q472 S482 I486	F435-I476 HydrophobicContact CB-CD1 4.19Å; F435-I476 HydrophobicContact CD1-CD1 3.7Å; F435-I476 HydrophobicContact CG-CD1 4.35Å; L438-I476 HydrophobicContact CD2-CD1 4.02Å; L438-I476 HydrophobicContact CD2-CG2 4.03Å; L438-I476 HydrophobicContact CG-CG2 4.17Å; Q472-I476 WeakPolarHBondContact O-CB 3.35Å; Q472-I476 WeakPolarHBondContact O-CG1 3.28Å; Q472-I476 PolarHBondContact O-N 2.82Å; I476-S482 VanDerWaalsContact O-CB 3.23Å; I476-S482 WeakPolarHBondContact O-CB 3.39Å; I476-S482 PolarHBondContact O-OG 2.84Å; I476-I486 HydrophobicContact CG2-CG2 3.69Å
477	Y	87.1	Confident	82.8	Confident	16 Å²	16	64.5 Å²	64.5	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-46.5	171.3	-173.5	-84.6	0	0	0	112.2	L473 E475 R487 C490 L491 F513 I517 L524	L473-Y477 VanDerWaalsContact O-CB 3.29Å; L473-Y477 WeakPolarHBondContact O-CB 3.44Å; L473-Y477 PolarHBondContact O-N 3.49Å; E475-Y477 VanDerWaalsContact C-N 3.26Å; E475-Y477 PolarHBondContact O-N 3.31Å; Y477-R487 HydrophobicContact CD2-CB 3.79Å; Y477-R487 HydrophobicContact CD2-CG 3.88Å; Y477-R487 HydrophobicContact CE2-CB 3.6Å; Y477-R487 HydrophobicContact CE2-CG 3.97Å; Y477-R487 HydrophobicContact CG-CG 4.31Å; Y477-R487 PolarHBondContact O-NE 3.45Å; Y477-C490 HydrophobicContact CD2-CB 4.12Å; Y477-L491 HydrophobicContact CD2-CD2 4.31Å; Y477-L491 HydrophobicContact CD2-CG 4.36Å; Y477-L491 HydrophobicContact CE2-CD1 3.99Å; Y477-L491 HydrophobicContact CE2-CD2 3.86Å; Y477-L491 HydrophobicContact CE2-CG 3.81Å; Y477-F513 HydrophobicContact CD1-CE2 4.06Å; Y477-F513 AromaticContact CD1-CZ 3.79Å; Y477-F513 HydrophobicContact CD1-CZ 3.79Å; Y477-F513 HydrophobicContact CD2-CZ 4.4Å; Y477-F513 HydrophobicContact CE1-CZ 4.3Å; Y477-F513 AromaticContact CG-CZ 3.86Å; Y477-F513 HydrophobicContact CG-CZ 3.86Å; Y477-I517 HydrophobicContact CE1-CG1 4.2Å; Y477-I517 WeakPolarHBondContact OH-CG2 3.49Å; Y477-L524 HydrophobicContact CE2-CD1 4.24Å
478	N	85.5	Confident	83	Confident	103 Å²	103	58.4 Å²	58.4	55%	0.551	29%	0.292	S	S	*	.	H	α-helix	trans	-78.2	-18	-175	-73.7	-26.5	0	0	0	114.3	K474 E475 K480	K474-N478 VanDerWaalsContact O-CB 3.3Å; K474-N478 WeakPolarHBondContact O-CB 3.38Å; K474-N478 VanDerWaalsContact O-CG 3.24Å; K474-N478 PolarHBondContact O-N 3.06Å; K474-N478 PolarHBondContact O-ND2 3.45Å; K474-N478 VanDerWaalsContact O-ND2 3.15Å; E475-N478 CarbonylContact O-C 3.56Å; E475-N478 PolarHBondContact O-N 3.45Å; N478-K480 PolarHBondContact O-N 3.13Å
479	R	84	Confident	83.3	Confident	89 Å²	89	56.8 Å²	56.8	34%	0.336	28%	0.281	S	S	.	.	S	Bend	trans	-54.7	133.2	175.1	-78.5	177.6	-174.4	-179	8.7	111	E439 E475 T481 S482 R487	E439-R479 IonicContact OE1-CZ 3.64Å; E439-R479 IonicContact OE1-NH1 3.66Å; E439-R479 PolarHBondContact OE1-NH1 2.88Å; E439-R479 IonicContact OE1-NH2 3.78Å; E439-R479 IonicContact OE2-NH1 2.73Å; E439-R479 PolarHBondContact OE2-NH1 3.28Å; E439-R479 VanDerWaalsContact OE2-NH1 3.14Å; E475-R479 WeakPolarHBondContact O-CG 3.34Å; E475-R479 PolarHBondContact O-N 2.84Å; E475-R479 IonicContact OE1-CZ 2.69Å; E475-R479 IonicContact OE1-NE 2.87Å; E475-R479 PolarHBondContact OE1-NE 2.69Å; E475-R479 IonicContact OE1-NH2 2.69Å; E475-R479 PolarHBondContact OE1-NH2 2.93Å; R479-T481 PolarHBondContact O-N 2.69Å; R479-S482 WeakPolarHBondContact O-CB 3.42Å; R479-S482 PolarHBondContact O-N 3.09Å; R479-R487 PolarHBondContact O-NH2 3.13Å; R479-R487 VanDerWaalsContact O-NH2 3.1Å
480	K	63.5	Low	83.5	Confident	209 Å²	209	56.9 Å²	56.9	91%	0.909	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.4	-175.8	-67.8	-177.2	178.8	178.4	0	113.3	N478 S482	N478-K480 PolarHBondContact O-N 3.13Å; K480-S482 VanDerWaalsContact C-N 3.34Å
481	T	62.8	Low	83.7	Confident	130 Å²	130	56.9 Å²	56.9	80%	0.798	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.3	177.6	46.7	0	0	0	0	114.3	R479 N483	R479-T481 PolarHBondContact O-N 2.69Å; T481-N483 PolarHBondContact O-N 3.13Å; T481-N483 VanDerWaalsContact O-N 3.13Å
482	S	69.4	Low	83.8	Confident	10 Å²	10	57.6 Å²	57.6	7%	0.07	28%	0.279	C	S	.	.			trans	-68.1	110.3	-172.6	-161.4	0	0	0	0	111.8	I476 R479 K480	I476-S482 VanDerWaalsContact O-CB 3.23Å; I476-S482 WeakPolarHBondContact O-CB 3.39Å; I476-S482 PolarHBondContact O-OG 2.84Å; R479-S482 WeakPolarHBondContact O-CB 3.42Å; R479-S482 PolarHBondContact O-N 3.09Å; K480-S482 VanDerWaalsContact C-N 3.34Å
483	N	80.8	Confident	83.9	Confident	76 Å²	76	53.7 Å²	53.7	41%	0.406	26%	0.261	S	S	.	.			trans	-58.7	144.4	175.8	-176.2	-61.5	0	0	0	110.2	T481 K485 I486 R487	T481-N483 PolarHBondContact O-N 3.13Å; T481-N483 VanDerWaalsContact O-N 3.13Å; N483-K485 PolarHBondContact O-N 2.95Å; N483-K485 WeakPolarHBondContact OD1-CB 3.47Å; N483-K485 PolarHBondContact OD1-N 3.45Å; N483-I486 HydrophobicContact CB-CD1 4.11Å; N483-I486 HydrophobicContact CB-CG1 4.22Å; N483-I486 WeakPolarHBondContact O-CB 3.32Å; N483-I486 PolarHBondContact O-N 3.15Å; N483-R487 PolarHBondContact O-N 2.91Å; N483-R487 VanDerWaalsContact O-N 3.07Å
484	P	84.4	Confident	84	Confident	53 Å²	53	53.6 Å²	53.6	34%	0.344	26%	0.26	S	S	.	.	H	α-helix	trans	-49.5	-35	176.3	17.8	-31.9	0	0	0	113.4	I486 R487 I488	P484-I486 PolarHBondContact O-N 3.48Å; P484-R487 PolarHBondContact O-N 3.42Å; P484-I488 WeakPolarHBondContact O-CB 3.29Å; P484-I488 WeakPolarHBondContact O-CD1 3.47Å; P484-I488 WeakPolarHBondContact O-CG1 3.37Å; P484-I488 PolarHBondContact O-N 2.93Å
485	K	85.9	Confident	84	Confident	105 Å²	105	52.2 Å²	52.2	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-39.1	175.9	-62.5	-176.3	178.4	-175.9	0	113.5	L446 N483 A489	L446-K485 HydrophobicContact CD1-CB 3.85Å; N483-K485 PolarHBondContact O-N 2.95Å; N483-K485 WeakPolarHBondContact OD1-CB 3.47Å; N483-K485 PolarHBondContact OD1-N 3.45Å; K485-A489 WeakPolarHBondContact O-CB 3.24Å; K485-A489 PolarHBondContact O-N 3.14Å
486	I	86.6	Confident	83.9	Confident	14 Å²	14	49.4 Å²	49.4	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-44.3	174.1	-61.8	170.9	0	0	0	109.2	L438 L446 I476 N483 P484 A489 C490	L438-I486 HydrophobicContact CD1-CG2 4.16Å; L438-I486 HydrophobicContact CG-CG2 4.3Å; L446-I486 HydrophobicContact CD2-CG1 4.5Å; I476-I486 HydrophobicContact CG2-CG2 3.69Å; N483-I486 HydrophobicContact CB-CD1 4.11Å; N483-I486 HydrophobicContact CB-CG1 4.22Å; N483-I486 WeakPolarHBondContact O-CB 3.32Å; N483-I486 PolarHBondContact O-N 3.15Å; P484-I486 PolarHBondContact O-N 3.48Å; I486-A489 PolarHBondContact O-N 2.99Å; I486-C490 PolarHBondContact O-N 2.64Å; I486-C490 PolarHBondContact O-SG 3.46Å
487	R	89	Confident	84	Confident	65 Å²	65	49.1 Å²	49.1	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-44.3	177.2	-70.3	-169	178.2	130.3	11.8	112.8	Y477 R479 N483 P484 C490 L491 L524	Y477-R487 HydrophobicContact CD2-CB 3.79Å; Y477-R487 HydrophobicContact CD2-CG 3.88Å; Y477-R487 HydrophobicContact CE2-CB 3.6Å; Y477-R487 HydrophobicContact CE2-CG 3.97Å; Y477-R487 HydrophobicContact CG-CG 4.31Å; Y477-R487 PolarHBondContact O-NE 3.45Å; R479-R487 PolarHBondContact O-NH2 3.13Å; R479-R487 VanDerWaalsContact O-NH2 3.1Å; N483-R487 PolarHBondContact O-N 2.91Å; N483-R487 VanDerWaalsContact O-N 3.07Å; P484-R487 PolarHBondContact O-N 3.42Å; R487-C490 WeakPolarHBondContact O-CB 3.47Å; R487-C490 PolarHBondContact O-N 2.89Å; R487-L491 WeakPolarHBondContact O-CG 3.42Å; R487-L491 PolarHBondContact O-N 3.18Å; R487-L491 VanDerWaalsContact O-N 3.16Å; R487-L524 HydrophobicContact CB-CD1 3.76Å; R487-L524 HydrophobicContact CB-CD2 4.39Å
488	I	89.6	Confident	83.9	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-50.8	174.2	-69.4	160.6	0	0	0	110	P484 C490 L491 E492 E523 L524 A527	P484-I488 WeakPolarHBondContact O-CB 3.29Å; P484-I488 WeakPolarHBondContact O-CD1 3.47Å; P484-I488 WeakPolarHBondContact O-CG1 3.37Å; P484-I488 PolarHBondContact O-N 2.93Å; I488-C490 VanDerWaalsContact C-N 3.3Å; I488-C490 PolarHBondContact O-N 2.94Å; I488-L491 WeakPolarHBondContact O-CB 3.36Å; I488-L491 PolarHBondContact O-N 3.35Å; I488-E492 HydrophobicContact CG2-CG 4.3Å; I488-E492 WeakPolarHBondContact O-CG 3.29Å; I488-E492 PolarHBondContact O-N 2.88Å; I488-E523 HydrophobicContact CD1-CB 3.61Å; I488-L524 HydrophobicContact CG1-CD1 3.88Å; I488-A527 HydrophobicContact CB-CB 4.38Å; I488-A527 HydrophobicContact CG1-CB 4.01Å; I488-A527 HydrophobicContact CG2-CB 4.06Å
489	A	88.1	Confident	83.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-39.1	178.4	0	0	0	0	0	112.6	L438 L446 K485 I486 L491 E492 C493	L438-A489 HydrophobicContact CD1-CB 4.27Å; L446-A489 HydrophobicContact CB-CB 4.28Å; L446-A489 HydrophobicContact CD1-CB 4.29Å; L446-A489 HydrophobicContact CD2-CB 3.76Å; L446-A489 HydrophobicContact CG-CB 4.32Å; K485-A489 WeakPolarHBondContact O-CB 3.24Å; K485-A489 PolarHBondContact O-N 3.14Å; I486-A489 PolarHBondContact O-N 2.99Å; A489-L491 VanDerWaalsContact C-N 3.33Å; A489-L491 PolarHBondContact O-N 3.34Å; A489-E492 PolarHBondContact O-N 3.5Å; A489-C493 VanDerWaalsContact O-CB 3.3Å; A489-C493 WeakPolarHBondContact O-CB 3.44Å; A489-C493 PolarHBondContact O-N 3.31Å; A489-C493 PolarHBondContact O-SG 3.46Å
490	C	90	Very high	83.7	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-42.7	174	-66.7	0	0	0	0	111.9	L473 Y477 I486 R487 I488 L494	L473-C490 HydrophobicContact CD2-CB 4.48Å; Y477-C490 HydrophobicContact CD2-CB 4.12Å; I486-C490 PolarHBondContact O-N 2.64Å; I486-C490 PolarHBondContact O-SG 3.46Å; R487-C490 WeakPolarHBondContact O-CB 3.47Å; R487-C490 PolarHBondContact O-N 2.89Å; I488-C490 VanDerWaalsContact C-N 3.3Å; I488-C490 PolarHBondContact O-N 2.94Å; C490-L494 WeakPolarHBondContact O-CB 3.23Å; C490-L494 PolarHBondContact O-N 2.98Å
491	L	90.6	Very high	84.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-41.1	177	-62	177.2	0	0	0	112	Y477 R487 I488 A489 C493 L494 G495 F513 I517 L524 A527 V528 L531	Y477-L491 HydrophobicContact CD2-CD2 4.31Å; Y477-L491 HydrophobicContact CD2-CG 4.36Å; Y477-L491 HydrophobicContact CE2-CD1 3.99Å; Y477-L491 HydrophobicContact CE2-CD2 3.86Å; Y477-L491 HydrophobicContact CE2-CG 3.81Å; R487-L491 WeakPolarHBondContact O-CG 3.42Å; R487-L491 PolarHBondContact O-N 3.18Å; R487-L491 VanDerWaalsContact O-N 3.16Å; I488-L491 WeakPolarHBondContact O-CB 3.36Å; I488-L491 PolarHBondContact O-N 3.35Å; A489-L491 VanDerWaalsContact C-N 3.33Å; A489-L491 PolarHBondContact O-N 3.34Å; L491-C493 VanDerWaalsContact C-N 3.31Å; L491-C493 PolarHBondContact O-N 3.23Å; L491-L494 WeakPolarHBondContact O-CB 3.47Å; L491-L494 PolarHBondContact O-N 3.38Å; L491-G495 PolarHBondContact O-N 3.46Å; L491-F513 HydrophobicContact CD2-CE1 4.34Å; L491-I517 HydrophobicContact CD1-CD1 4.33Å; L491-I517 HydrophobicContact CD2-CD1 3.6Å; L491-L524 HydrophobicContact CD1-CD1 3.74Å; L491-A527 HydrophobicContact CD1-CB 4.12Å; L491-V528 HydrophobicContact CD1-CG2 3.66Å; L491-L531 HydrophobicContact CB-CD2 4.29Å; L491-L531 HydrophobicContact CD2-CD2 3.93Å; L491-L531 WeakPolarHBondContact O-CD1 3.29Å
492	E	88.6	Confident	85.6	Confident	81 Å²	81	36 Å²	36	38%	0.379	18%	0.175	S	C	.	.	H	α-helix	trans	-65.9	-34.6	176.8	-68.1	179	134.3	0	0	112.2	Q450 I488 A489 K496	Q450-E492 PolarHBondContact NE2-OE2 3.12Å; I488-E492 HydrophobicContact CG2-CG 4.3Å; I488-E492 WeakPolarHBondContact O-CG 3.29Å; I488-E492 PolarHBondContact O-N 2.88Å; A489-E492 PolarHBondContact O-N 3.5Å; E492-K496 WeakPolarHBondContact O-CG 3.5Å; E492-K496 PolarHBondContact O-N 3.04Å
493	C	88	Confident	86.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68	-46.5	172.1	-68.3	0	0	0	0	111.8	I453 L473 A489 L491 G495 K496 L497	I453-C493 HydrophobicContact CD1-CB 3.7Å; I453-C493 VanDerWaalsContact CD1-SG 3.57Å; L473-C493 HydrophobicContact CD1-CB 4.33Å; A489-C493 VanDerWaalsContact O-CB 3.3Å; A489-C493 WeakPolarHBondContact O-CB 3.44Å; A489-C493 PolarHBondContact O-N 3.31Å; A489-C493 PolarHBondContact O-SG 3.46Å; L491-C493 VanDerWaalsContact C-N 3.31Å; L491-C493 PolarHBondContact O-N 3.23Å; C493-G495 VanDerWaalsContact C-N 3.33Å; C493-G495 PolarHBondContact O-N 2.98Å; C493-K496 WeakPolarHBondContact O-CB 3.31Å; C493-K496 PolarHBondContact O-N 2.75Å; C493-K496 VanDerWaalsContact O-N 3.14Å; C493-L497 WeakPolarHBondContact O-CG 3.5Å; C493-L497 PolarHBondContact O-N 3.09Å
494	L	89.9	Confident	86.4	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-46.4	173.6	179.2	64.7	0	0	0	111.4	L470 C490 L491 K496 L497 F498 V510 F513 V514 L531	L470-L494 HydrophobicContact CD2-CD1 3.43Å; L470-L494 VanDerWaalsContact CD2-CD1 3.43Å; C490-L494 WeakPolarHBondContact O-CB 3.23Å; C490-L494 PolarHBondContact O-N 2.98Å; L491-L494 WeakPolarHBondContact O-CB 3.47Å; L491-L494 PolarHBondContact O-N 3.38Å; L494-K496 VanDerWaalsContact C-N 3.26Å; L494-K496 PolarHBondContact O-N 3.09Å; L494-L497 WeakPolarHBondContact O-CB 3.17Å; L494-L497 PolarHBondContact O-N 2.74Å; L494-F498 HydrophobicContact CD1-CE1 4.27Å; L494-F498 HydrophobicContact CG-CE1 3.85Å; L494-F498 HydrophobicContact CG-CZ 4.39Å; L494-F498 WeakPolarHBondContact O-CD1 3.5Å; L494-V510 HydrophobicContact CD1-CG1 4.14Å; L494-V510 HydrophobicContact CD2-CG1 4.28Å; L494-V510 HydrophobicContact CG-CG1 4.47Å; L494-F513 HydrophobicContact CD2-CD1 4.11Å; L494-F513 HydrophobicContact CD2-CE1 4.07Å; L494-V514 HydrophobicContact CD2-CG2 4.19Å; L494-L531 HydrophobicContact CD2-CD2 4.2Å
495	G	87.5	Confident	86.4	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-27.7	177.6	0	0	0	0	0	114.2	L491 C493 L497 R534	L491-G495 PolarHBondContact O-N 3.46Å; C493-G495 VanDerWaalsContact C-N 3.33Å; C493-G495 PolarHBondContact O-N 2.98Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 3.47Å; G495-R534 WeakPolarHBondContact O-CD 3.44Å; G495-R534 PolarHBondContact O-NE 3.06Å; G495-R534 VanDerWaalsContact O-NE 3.07Å
496	K	85.8	Confident	86.3	Confident	40 Å²	40	32.4 Å²	32.4	17%	0.174	16%	0.162	C	C	.	.	H	α-helix	trans	-71	-20.9	173	-76.3	163.1	173.1	170	0	113	Q450 I453 S454 E492 C493 L494	Q450-K496 PolarHBondContact O-NZ 2.7Å; I453-K496 HydrophobicContact CG2-CB 4.04Å; S454-K496 WeakPolarHBondContact OG-CD 3.46Å; S454-K496 WeakPolarHBondContact OG-CE 3.34Å; E492-K496 WeakPolarHBondContact O-CG 3.5Å; E492-K496 PolarHBondContact O-N 3.04Å; C493-K496 WeakPolarHBondContact O-CB 3.31Å; C493-K496 PolarHBondContact O-N 2.75Å; C493-K496 VanDerWaalsContact O-N 3.14Å; L494-K496 VanDerWaalsContact C-N 3.26Å; L494-K496 PolarHBondContact O-N 3.09Å
497	L	86.6	Confident	86.2	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-93.2	-15.2	-175.4	-64.5	164.1	0	0	0	114.2	I453 I465 I469 L473 C493 L494 G495 K499 K500 L501	I453-L497 HydrophobicContact CG2-CD2 4.33Å; I453-L497 HydrophobicContact CG2-CG 4.35Å; I465-L497 HydrophobicContact CD1-CD2 4.23Å; I465-L497 HydrophobicContact CG1-CD2 4.3Å; I465-L497 HydrophobicContact CG2-CB 4.39Å; I465-L497 HydrophobicContact CG2-CD1 4.15Å; I465-L497 HydrophobicContact CG2-CD2 4.35Å; I469-L497 HydrophobicContact CG2-CD1 3.91Å; L473-L497 HydrophobicContact CD1-CD1 4.42Å; C493-L497 WeakPolarHBondContact O-CG 3.5Å; C493-L497 PolarHBondContact O-N 3.09Å; L494-L497 WeakPolarHBondContact O-CB 3.17Å; L494-L497 PolarHBondContact O-N 2.74Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 3.47Å; L497-K499 PolarHBondContact O-N 3.01Å; L497-K500 PolarHBondContact O-N 3.33Å; L497-L501 PolarHBondContact O-N 3.48Å
498	F	85.8	Confident	86	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.8	-175.8	-68.7	-16.7	0	0	0	115.6	L494 K500 L501 L506 V510 L531 L535 R539	L494-F498 HydrophobicContact CD1-CE1 4.27Å; L494-F498 HydrophobicContact CG-CE1 3.85Å; L494-F498 HydrophobicContact CG-CZ 4.39Å; L494-F498 WeakPolarHBondContact O-CD1 3.5Å; F498-K500 VanDerWaalsContact C-N 3.27Å; F498-K500 PolarHBondContact O-N 3.36Å; F498-L501 HydrophobicContact CD1-CD1 4.31Å; F498-L506 HydrophobicContact CD1-CD1 3.95Å; F498-L506 HydrophobicContact CE1-CD1 4.26Å; F498-V510 HydrophobicContact CE1-CG1 3.86Å; F498-L531 HydrophobicContact CE1-CD1 4.32Å; F498-L531 HydrophobicContact CE2-CD1 3.49Å; F498-L531 VanDerWaalsContact CE2-CD1 3.49Å; F498-L531 HydrophobicContact CE2-CG 3.99Å; F498-L531 HydrophobicContact CZ-CD1 3.33Å; F498-L531 HydrophobicContact CZ-CD2 4.35Å; F498-L531 HydrophobicContact CZ-CG 3.74Å; F498-L535 HydrophobicContact CD1-CD1 4.38Å; F498-L535 HydrophobicContact CD2-CB 4.1Å; F498-L535 HydrophobicContact CD2-CD1 3.86Å; F498-L535 HydrophobicContact CE1-CD1 4.15Å; F498-L535 HydrophobicContact CE2-CB 3.68Å; F498-L535 HydrophobicContact CE2-CD1 3.59Å; F498-L535 HydrophobicContact CE2-CG 4.27Å; F498-L535 HydrophobicContact CG-CD1 4.24Å; F498-L535 HydrophobicContact CZ-CB 4.45Å; F498-L535 HydrophobicContact CZ-CD1 3.72Å; F498-R539 PolarHBondContact O-NE 3.31Å; F498-R539 PolarHBondContact O-NH2 2.98Å
499	K	81.6	Confident	85.8	Confident	126 Å²	126	35.8 Å²	35.8	55%	0.548	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15	177.9	-63.1	-163.5	-180	-171.3	0	114.4	L497 D538 R539	L497-K499 PolarHBondContact O-N 3.01Å; K499-D538 WeakPolarHBondContact CE-OD1 3.18Å; K499-D538 WeakPolarHBondContact CE-OD2 3.46Å; K499-D538 HydrophobicContact CG-CB 4.3Å; K499-D538 IonicContact NZ-OD1 3.8Å; K499-D538 PolarHBondContact NZ-OD1 2.54Å; K499-D538 IonicContact NZ-OD2 3.75Å; K499-R539 PolarHBondContact O-NH2 2.99Å
500	K	82.3	Confident	85.7	Confident	80 Å²	80	35.7 Å²	35.7	35%	0.348	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-19.7	178.3	-71.9	-60.8	-163.1	101.2	0	113.8	S457 K458 L460 N462 I465 L497 F498	S457-K500 WeakPolarHBondContact O-CE 3.47Å; S457-K500 WeakPolarHBondContact O-CG 3.3Å; S457-K500 PolarHBondContact O-NZ 3.3Å; K458-K500 PolarHBondContact O-NZ 3.48Å; L460-K500 PolarHBondContact O-NZ 2.98Å; N462-K500 PolarHBondContact OD1-O 2.76Å; I465-K500 HydrophobicContact CD1-CB 3.64Å; I465-K500 HydrophobicContact CD1-CG 4.39Å; L497-K500 PolarHBondContact O-N 3.33Å; F498-K500 VanDerWaalsContact C-N 3.27Å; F498-K500 PolarHBondContact O-N 3.36Å
501	L	83.6	Confident	85.5	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-70.6	139	175.4	-66.8	177.4	0	0	0	111.7	N462 I465 V466 L470 L497 F498 L506 V510 R539	N462-L501 WeakPolarHBondContact OD1-CA 3.41Å; I465-L501 HydrophobicContact CB-CD2 4.39Å; I465-L501 HydrophobicContact CG2-CD2 3.7Å; V466-L501 HydrophobicContact CG2-CD2 3.78Å; L470-L501 HydrophobicContact CD1-CD1 4.47Å; L470-L501 HydrophobicContact CD1-CD2 4.07Å; L497-L501 PolarHBondContact O-N 3.48Å; F498-L501 HydrophobicContact CD1-CD1 4.31Å; L501-L506 HydrophobicContact CD1-CD1 4.07Å; L501-V510 HydrophobicContact CD1-CG2 3.95Å; L501-R539 PolarHBondContact O-NH2 3.24Å
502	T	84	Confident	85.4	Confident	63 Å²	63	37.7 Å²	37.7	39%	0.387	20%	0.198	S	C	.	.			trans	-74.1	145.9	170.8	39	0	0	0	0	111.9	N462 T505 L506	N462-T502 WeakPolarHBondContact ND2-CG2 3.29Å; N462-T502 PolarHBondContact ND2-OG1 3.3Å; N462-T502 PolarHBondContact OD1-N 3.5Å; T502-T505 PolarHBondContact O-N 3.34Å; T502-T505 PolarHBondContact OG1-OG1 3.46Å; T502-L506 PolarHBondContact O-N 3.17Å
503	L	83	Confident	85.4	Confident	59 Å²	59	34.9 Å²	34.9	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-55.9	-43.4	-174.8	-177.4	65.8	0	0	0	114.5	L506 C507 E542 I543	L503-L506 HydrophobicContact CD1-CD2 4.47Å; L503-L506 WeakPolarHBondContact O-CB 3.23Å; L503-L506 PolarHBondContact O-N 2.99Å; L503-C507 WeakPolarHBondContact O-CB 3.34Å; L503-C507 PolarHBondContact O-N 2.93Å; L503-E542 VanDerWaalsContact CD2-O 3.29Å; L503-E542 WeakPolarHBondContact CD2-O 3.36Å; L503-I543 HydrophobicContact CD1-CG1 4.38Å
504	P	83.9	Confident	85.4	Confident	79 Å²	79	35 Å²	35	51%	0.513	19%	0.185	S	C	.	.	H	α-helix	trans	-58.1	-52.8	175.1	-24.4	35.1	0	0	0	111.4	L506 C507 D508	P504-L506 PolarHBondContact O-N 2.81Å; P504-L506 VanDerWaalsContact O-N 3.16Å; P504-C507 CarbonylContact O-C 3.55Å; P504-C507 WeakPolarHBondContact O-CA 3.45Å; P504-C507 WeakPolarHBondContact O-CB 3.2Å; P504-C507 PolarHBondContact O-N 3.19Å; P504-D508 VanDerWaalsContact O-CB 3.31Å; P504-D508 WeakPolarHBondContact O-CB 3.47Å; P504-D508 PolarHBondContact O-N 3.05Å; P504-D508 VanDerWaalsContact O-OD2 3.07Å
505	T	83.9	Confident	85.2	Confident	29 Å²	29	36.4 Å²	36.4	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-33.2	178	-38.2	0	0	0	0	113.7	V466 T502 D509 V510	V466-T505 HydrophobicContact CB-CG2 4.38Å; V466-T505 HydrophobicContact CG1-CG2 3.82Å; V466-T505 HydrophobicContact CG2-CG2 3.56Å; T502-T505 PolarHBondContact O-N 3.34Å; T502-T505 PolarHBondContact OG1-OG1 3.46Å; T505-D509 HydrophobicContact CG2-CB 4.48Å; T505-D509 PolarHBondContact O-N 2.71Å; T505-V510 PolarHBondContact O-N 2.71Å
506	L	84.5	Confident	85.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-62.5	-53.5	172.3	-165.6	71.5	0	0	0	110	F498 L501 T502 L503 P504 V510 L511 L535 R539 I543	F498-L506 HydrophobicContact CD1-CD1 3.95Å; F498-L506 HydrophobicContact CE1-CD1 4.26Å; L501-L506 HydrophobicContact CD1-CD1 4.07Å; T502-L506 PolarHBondContact O-N 3.17Å; L503-L506 HydrophobicContact CD1-CD2 4.47Å; L503-L506 WeakPolarHBondContact O-CB 3.23Å; L503-L506 PolarHBondContact O-N 2.99Å; P504-L506 PolarHBondContact O-N 2.81Å; P504-L506 VanDerWaalsContact O-N 3.16Å; L506-V510 HydrophobicContact CD1-CB 4.18Å; L506-V510 HydrophobicContact CD1-CG1 4.15Å; L506-V510 CarbonylContact O-C 3.56Å; L506-V510 WeakPolarHBondContact O-CA 3.25Å; L506-V510 WeakPolarHBondContact O-CB 3.43Å; L506-V510 PolarHBondContact O-N 3.43Å; L506-V510 VanDerWaalsContact O-N 3.16Å; L506-L511 HydrophobicContact CG-CD2 4.32Å; L506-L511 WeakPolarHBondContact O-CG 3.5Å; L506-L511 PolarHBondContact O-N 3.21Å; L506-L535 HydrophobicContact CD1-CD1 3.89Å; L506-L535 HydrophobicContact CD2-CD1 3.98Å; L506-L535 HydrophobicContact CG-CD1 4.17Å; L506-R539 HydrophobicContact CD2-CG 4.36Å; L506-I543 HydrophobicContact CD2-CD1 4.31Å; L506-I543 HydrophobicContact CD2-CG1 4.41Å
507	C	84	Confident	85.3	Confident	7 Å²	7	38.2 Å²	38.2	5%	0.047	21%	0.213	C	C	.	.	I	π-helix	trans	-64.4	-40.4	179.9	-77.5	0	0	0	0	114.8	L503 P504 P512 Y547	L503-C507 WeakPolarHBondContact O-CB 3.34Å; L503-C507 PolarHBondContact O-N 2.93Å; P504-C507 CarbonylContact O-C 3.55Å; P504-C507 WeakPolarHBondContact O-CA 3.45Å; P504-C507 WeakPolarHBondContact O-CB 3.2Å; P504-C507 PolarHBondContact O-N 3.19Å; C507-P512 VanDerWaalsContact O-CD 3.31Å; C507-P512 WeakPolarHBondContact O-CD 3.46Å; C507-Y547 HydrophobicContact CB-CD1 4.1Å; C507-Y547 HydrophobicContact CB-CD2 4.45Å; C507-Y547 HydrophobicContact CB-CE1 3.68Å; C507-Y547 HydrophobicContact CB-CE2 4.04Å; C507-Y547 HydrophobicContact CB-CG 4.48Å
508	D	85.1	Confident	85.1	Confident	104 Å²	104	49.6 Å²	49.6	56%	0.556	26%	0.255	S	S	*	.	I	π-helix	trans	-93.2	-23	-166.3	-56.3	-29	0	0	0	113.1	P504 P512	P504-D508 VanDerWaalsContact O-CB 3.31Å; P504-D508 WeakPolarHBondContact O-CB 3.47Å; P504-D508 PolarHBondContact O-N 3.05Å; P504-D508 VanDerWaalsContact O-OD2 3.07Å; D508-P512 WeakPolarHBondContact O-CG 3.29Å
509	D	84.8	Confident	85.1	Confident	64 Å²	64	50.8 Å²	50.8	34%	0.342	26%	0.263	S	S	.	.	I	π-helix	trans	-128.2	-35.8	-175.5	178.2	64.2	0	0	0	113.7	K474 T505	K474-D509 PolarHBondContact NZ-O 3.16Å; K474-D509 IonicContact NZ-OD1 2.68Å; K474-D509 PolarHBondContact NZ-OD1 2.91Å; K474-D509 IonicContact NZ-OD2 2.69Å; K474-D509 PolarHBondContact NZ-OD2 3.23Å; T505-D509 HydrophobicContact CG2-CB 4.48Å; T505-D509 PolarHBondContact O-N 2.71Å
510	V	86.6	Confident	85.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-90.8	-45.5	-175.8	179.9	0	0	0	0	113.1	L470 L494 F498 L501 T505 L506 F513 V514	L470-V510 HydrophobicContact CD1-CG2 3.8Å; L470-V510 HydrophobicContact CD2-CG2 4.45Å; L494-V510 HydrophobicContact CD1-CG1 4.14Å; L494-V510 HydrophobicContact CD2-CG1 4.28Å; L494-V510 HydrophobicContact CG-CG1 4.47Å; F498-V510 HydrophobicContact CE1-CG1 3.86Å; L501-V510 HydrophobicContact CD1-CG2 3.95Å; T505-V510 PolarHBondContact O-N 2.71Å; L506-V510 HydrophobicContact CD1-CB 4.18Å; L506-V510 HydrophobicContact CD1-CG1 4.15Å; L506-V510 CarbonylContact O-C 3.56Å; L506-V510 WeakPolarHBondContact O-CA 3.25Å; L506-V510 WeakPolarHBondContact O-CB 3.43Å; L506-V510 PolarHBondContact O-N 3.43Å; L506-V510 VanDerWaalsContact O-N 3.16Å; V510-F513 PolarHBondContact O-N 3Å; V510-V514 HydrophobicContact CG1-CG2 4.31Å; V510-V514 WeakPolarHBondContact O-CG2 3.46Å; V510-V514 PolarHBondContact O-N 2.87Å
511	L	86	Confident	85.4	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-39.3	175.8	-55.6	-165.4	0	0	0	113	L506 F513 V514 S515 L535 I543 Y547 M551 L552	L506-L511 HydrophobicContact CG-CD2 4.32Å; L506-L511 WeakPolarHBondContact O-CG 3.5Å; L506-L511 PolarHBondContact O-N 3.21Å; L511-F513 PolarHBondContact O-N 2.99Å; L511-V514 PolarHBondContact O-N 3.34Å; L511-S515 WeakPolarHBondContact O-CB 3.44Å; L511-S515 PolarHBondContact O-N 2.78Å; L511-S515 PolarHBondContact O-OG 3.06Å; L511-S515 VanDerWaalsContact O-OG 3.09Å; L511-L535 HydrophobicContact CD2-CD1 3.89Å; L511-L535 HydrophobicContact CD2-CD2 3.58Å; L511-L535 HydrophobicContact CD2-CG 4.36Å; L511-I543 HydrophobicContact CD1-CG2 4.26Å; L511-Y547 HydrophobicContact CD1-CD1 4.21Å; L511-Y547 HydrophobicContact CD1-CG 4.2Å; L511-M551 HydrophobicContact CB-SD 4.48Å; L511-L552 HydrophobicContact CB-CD2 4.37Å; L511-L552 HydrophobicContact CD1-CD1 4.44Å; L511-L552 HydrophobicContact CD2-CD2 4.2Å
512	P	87.7	Confident	85.7	Confident	47 Å²	47	53.9 Å²	53.9	31%	0.305	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-48.4	172.1	-22.4	32.3	0	0	0	111.6	C507 D508 V514 S515 S516 M551	C507-P512 VanDerWaalsContact O-CD 3.31Å; C507-P512 WeakPolarHBondContact O-CD 3.46Å; D508-P512 WeakPolarHBondContact O-CG 3.29Å; P512-V514 PolarHBondContact O-N 2.86Å; P512-S515 PolarHBondContact O-N 2.95Å; P512-S515 PolarHBondContact O-OG 3.38Å; P512-S516 WeakPolarHBondContact O-CB 3.14Å; P512-S516 PolarHBondContact O-N 3.38Å; P512-M551 HydrophobicContact CB-CE 4.02Å; P512-M551 HydrophobicContact CG-CE 3.92Å
513	F	88.9	Confident	85.8	Confident	21 Å²	21	55.4 Å²	55.4	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-50.9	176.6	173.9	-110.4	0	0	0	111.8	K474 Y477 L491 L494 V510 L511 S515 S516 I517	K474-F513 HydrophobicContact CB-CE2 4.41Å; K474-F513 HydrophobicContact CD-CD2 4.36Å; K474-F513 HydrophobicContact CD-CG 4.33Å; K474-F513 HydrophobicContact CG-CD1 4.24Å; K474-F513 HydrophobicContact CG-CD2 3.95Å; K474-F513 HydrophobicContact CG-CE1 4.23Å; K474-F513 HydrophobicContact CG-CE2 3.94Å; K474-F513 HydrophobicContact CG-CG 4.1Å; K474-F513 HydrophobicContact CG-CZ 4.08Å; Y477-F513 HydrophobicContact CD1-CE2 4.06Å; Y477-F513 AromaticContact CD1-CZ 3.79Å; Y477-F513 HydrophobicContact CD1-CZ 3.79Å; Y477-F513 HydrophobicContact CD2-CZ 4.4Å; Y477-F513 HydrophobicContact CE1-CZ 4.3Å; Y477-F513 AromaticContact CG-CZ 3.86Å; Y477-F513 HydrophobicContact CG-CZ 3.86Å; L491-F513 HydrophobicContact CD2-CE1 4.34Å; L494-F513 HydrophobicContact CD2-CD1 4.11Å; L494-F513 HydrophobicContact CD2-CE1 4.07Å; V510-F513 PolarHBondContact O-N 3Å; L511-F513 PolarHBondContact O-N 2.99Å; F513-S515 PolarHBondContact O-N 3.33Å; F513-S516 PolarHBondContact O-N 3.38Å; F513-S516 VanDerWaalsContact O-N 3.15Å; F513-S516 PolarHBondContact O-OG 3.28Å; F513-I517 HydrophobicContact CE1-CD1 4.49Å
514	V	87.6	Confident	86.1	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-41.4	-179.8	174.2	0	0	0	0	112.1	L494 V510 L511 P512 S516 I517 V528 L531 N532	L494-V514 HydrophobicContact CD2-CG2 4.19Å; V510-V514 HydrophobicContact CG1-CG2 4.31Å; V510-V514 WeakPolarHBondContact O-CG2 3.46Å; V510-V514 PolarHBondContact O-N 2.87Å; L511-V514 PolarHBondContact O-N 3.34Å; P512-V514 PolarHBondContact O-N 2.86Å; V514-S516 VanDerWaalsContact C-N 3.3Å; V514-S516 PolarHBondContact O-N 2.93Å; V514-I517 PolarHBondContact O-N 3.08Å; V514-V528 HydrophobicContact CG1-CG1 4.49Å; V514-L531 HydrophobicContact CG1-CD2 4.19Å; V514-L531 HydrophobicContact CG2-CD2 3.69Å; V514-N532 WeakPolarHBondContact CG1-ND2 3.43Å
515	S	86.5	Confident	86.4	Confident	35 Å²	35	49.1 Å²	49.1	25%	0.245	25%	0.25	C	C	.	.	H	α-helix	trans	-68.9	-25.8	176.8	70.5	0	0	0	0	113.7	L511 P512 F513 I517 M551	L511-S515 WeakPolarHBondContact O-CB 3.44Å; L511-S515 PolarHBondContact O-N 2.78Å; L511-S515 PolarHBondContact O-OG 3.06Å; L511-S515 VanDerWaalsContact O-OG 3.09Å; P512-S515 PolarHBondContact O-N 2.95Å; P512-S515 PolarHBondContact O-OG 3.38Å; F513-S515 PolarHBondContact O-N 3.33Å; S515-I517 VanDerWaalsContact C-N 3.27Å; S515-I517 PolarHBondContact O-N 3.4Å; S515-M551 WeakPolarHBondContact CB-O 3.5Å
516	S	87.2	Confident	86.7	Confident	72 Å²	72	50.5 Å²	50.5	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-73.8	-15.5	177.2	78	0	0	0	0	113.9	P512 F513 V514 R518	P512-S516 WeakPolarHBondContact O-CB 3.14Å; P512-S516 PolarHBondContact O-N 3.38Å; F513-S516 PolarHBondContact O-N 3.38Å; F513-S516 VanDerWaalsContact O-N 3.15Å; F513-S516 PolarHBondContact O-OG 3.28Å; V514-S516 VanDerWaalsContact C-N 3.3Å; V514-S516 PolarHBondContact O-N 2.93Å; S516-R518 PolarHBondContact O-N 3.13Å
517	I	87.2	Confident	86.9	Confident	9 Å²	9	51 Å²	51	5%	0.046	26%	0.26	C	S	.	.			trans	-67.3	106.9	-178.2	-63.7	169.1	0	0	0	110.1	Y477 L491 F513 V514 S515 T519 V528	Y477-I517 HydrophobicContact CE1-CG1 4.2Å; Y477-I517 WeakPolarHBondContact OH-CG2 3.49Å; L491-I517 HydrophobicContact CD1-CD1 4.33Å; L491-I517 HydrophobicContact CD2-CD1 3.6Å; F513-I517 HydrophobicContact CE1-CD1 4.49Å; V514-I517 PolarHBondContact O-N 3.08Å; S515-I517 VanDerWaalsContact C-N 3.27Å; S515-I517 PolarHBondContact O-N 3.4Å; I517-T519 HydrophobicContact CG2-CG2 4.15Å; I517-V528 HydrophobicContact CB-CG2 4.41Å; I517-V528 HydrophobicContact CD1-CG2 4.07Å; I517-V528 HydrophobicContact CG2-CG2 3.78Å
518	R	83.7	Confident	87.3	Confident	239 Å²	239	50.6 Å²	50.6	90%	0.902	26%	0.257	S	S	*	.			trans	-107.1	119.6	171.4	-62.4	-178.4	-174.7	-166.3	1	109	S516	S516-R518 PolarHBondContact O-N 3.13Å
519	T	84.9	Confident	87.6	Confident	27 Å²	27	46.1 Å²	46.1	17%	0.166	23%	0.233	C	C	.	.			trans	-148.1	152.3	-180	176.7	0	0	0	0	110.8	I517 D521 L524 V525 F559	I517-T519 HydrophobicContact CG2-CG2 4.15Å; T519-D521 PolarHBondContact OG1-N 3.35Å; T519-L524 HydrophobicContact CG2-CB 4.34Å; T519-L524 HydrophobicContact CG2-CD2 4.23Å; T519-L524 HydrophobicContact CG2-CG 4.16Å; T519-V525 HydrophobicContact CG2-CG2 3.71Å; T519-F559 HydrophobicContact CG2-CE1 4.29Å; T519-F559 HydrophobicContact CG2-CZ 4.46Å
520	V	84.6	Confident	87.8	Confident	104 Å²	104	45.8 Å²	45.8	63%	0.63	24%	0.24	S	C	*	.			trans	-111.8	-8	169.8	-62.4	0	0	0	0	112.3	L562 T564	V520-L562 HydrophobicContact CB-CD2 4.47Å; V520-L562 HydrophobicContact CG1-CD2 4.04Å; V520-T564 PolarHBondContact O-OG1 3.15Å
521	D	86	Confident	88	Confident	62 Å²	62	46.2 Å²	46.2	33%	0.332	24%	0.242	S	C	.	.			trans	-71.9	126.9	178.7	174	66.2	0	0	0	111	T519 E523 L524 V525	T519-D521 PolarHBondContact OG1-N 3.35Å; D521-E523 PolarHBondContact O-N 2.83Å; D521-E523 PolarHBondContact OD2-N 3.42Å; D521-L524 HydrophobicContact CB-CB 4.22Å; D521-L524 PolarHBondContact O-N 3.07Å; D521-L524 WeakPolarHBondContact OD2-CB 3.29Å; D521-L524 PolarHBondContact OD2-N 3.42Å; D521-V525 WeakPolarHBondContact O-CB 3.27Å; D521-V525 VanDerWaalsContact O-CG2 3.23Å; D521-V525 WeakPolarHBondContact O-CG2 3.47Å; D521-V525 PolarHBondContact O-N 2.97Å
522	R	88.8	Confident	88.2	Confident	107 Å²	107	46.2 Å²	46.2	40%	0.404	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-41	-172.1	-174	-172.4	65.5	166.2	0.3	112.5	V525 L526 D569	R522-V525 PolarHBondContact O-N 3.47Å; R522-L526 HydrophobicContact CG-CD1 4.36Å; R522-L526 WeakPolarHBondContact O-CG 3.39Å; R522-L526 PolarHBondContact O-N 3.44Å; R522-D569 WeakPolarHBondContact CD-OD2 3.2Å
523	E	86.9	Confident	88.3	Confident	94 Å²	94	52 Å²	52	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-41.9	-177.8	-60.4	-174	174.9	0	0	110.7	I488 D521 L526 A527	I488-E523 HydrophobicContact CD1-CB 3.61Å; D521-E523 PolarHBondContact O-N 2.83Å; D521-E523 PolarHBondContact OD2-N 3.42Å; E523-L526 PolarHBondContact O-N 3.4Å; E523-A527 PolarHBondContact O-N 2.88Å
524	L	89	Confident	88.2	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-34.6	176.2	-166.1	62.3	0	0	0	112.6	Y477 R487 I488 L491 T519 D521 A527 V528	Y477-L524 HydrophobicContact CE2-CD1 4.24Å; R487-L524 HydrophobicContact CB-CD1 3.76Å; R487-L524 HydrophobicContact CB-CD2 4.39Å; I488-L524 HydrophobicContact CG1-CD1 3.88Å; L491-L524 HydrophobicContact CD1-CD1 3.74Å; T519-L524 HydrophobicContact CG2-CB 4.34Å; T519-L524 HydrophobicContact CG2-CD2 4.23Å; T519-L524 HydrophobicContact CG2-CG 4.16Å; D521-L524 HydrophobicContact CB-CB 4.22Å; D521-L524 PolarHBondContact O-N 3.07Å; D521-L524 WeakPolarHBondContact OD2-CB 3.29Å; D521-L524 PolarHBondContact OD2-N 3.42Å; L524-A527 PolarHBondContact O-N 3.33Å; L524-V528 WeakPolarHBondContact O-CG2 3.13Å; L524-V528 PolarHBondContact O-N 3.16Å
525	V	89.8	Confident	88.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-47.2	170.7	169.2	0	0	0	0	110.7	T519 D521 R522 A527 V528 I529 F559 L562 L565	T519-V525 HydrophobicContact CG2-CG2 3.71Å; D521-V525 WeakPolarHBondContact O-CB 3.27Å; D521-V525 VanDerWaalsContact O-CG2 3.23Å; D521-V525 WeakPolarHBondContact O-CG2 3.47Å; D521-V525 PolarHBondContact O-N 2.97Å; R522-V525 PolarHBondContact O-N 3.47Å; V525-A527 VanDerWaalsContact C-N 3.31Å; V525-A527 PolarHBondContact O-N 3.36Å; V525-V528 PolarHBondContact O-N 2.87Å; V525-V528 VanDerWaalsContact O-N 3.16Å; V525-I529 HydrophobicContact CG1-CD1 3.65Å; V525-I529 HydrophobicContact CG1-CG1 4.39Å; V525-I529 WeakPolarHBondContact O-CD1 3.31Å; V525-I529 VanDerWaalsContact O-CG1 3.27Å; V525-I529 WeakPolarHBondContact O-CG1 3.43Å; V525-I529 PolarHBondContact O-N 2.95Å; V525-F559 HydrophobicContact CG1-CB 4.31Å; V525-F559 HydrophobicContact CG1-CD1 4.3Å; V525-F559 HydrophobicContact CG1-CD2 4.16Å; V525-F559 HydrophobicContact CG1-CG 4.02Å; V525-F559 HydrophobicContact CG2-CD1 4.12Å; V525-F559 HydrophobicContact CG2-CE1 4.07Å; V525-L562 HydrophobicContact CG1-CD1 4.45Å; V525-L562 HydrophobicContact CG2-CD1 3.64Å; V525-L565 HydrophobicContact CG1-CD2 3.99Å
526	L	90.6	Very high	88.1	Confident	57 Å²	57	54.3 Å²	54.3	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-39.4	175.3	-73.8	170.8	0	0	0	112.4	R522 E523 I529 A530 D569	R522-L526 HydrophobicContact CG-CD1 4.36Å; R522-L526 WeakPolarHBondContact O-CG 3.39Å; R522-L526 PolarHBondContact O-N 3.44Å; E523-L526 PolarHBondContact O-N 3.4Å; L526-I529 HydrophobicContact CD2-CD1 4.33Å; L526-I529 PolarHBondContact O-N 3.39Å; L526-A530 WeakPolarHBondContact O-CB 3.5Å; L526-A530 PolarHBondContact O-N 2.76Å; L526-D569 HydrophobicContact CD2-CB 3.96Å
527	A	90.1	Very high	87.8	Confident	10 Å²	10	54.4 Å²	54.4	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-41.4	174.3	0	0	0	0	0	112.6	I488 L491 E523 L524 V525 A530 L531	I488-A527 HydrophobicContact CB-CB 4.38Å; I488-A527 HydrophobicContact CG1-CB 4.01Å; I488-A527 HydrophobicContact CG2-CB 4.06Å; L491-A527 HydrophobicContact CD1-CB 4.12Å; E523-A527 PolarHBondContact O-N 2.88Å; L524-A527 PolarHBondContact O-N 3.33Å; V525-A527 VanDerWaalsContact C-N 3.31Å; V525-A527 PolarHBondContact O-N 3.36Å; A527-A530 PolarHBondContact O-N 3.11Å; A527-L531 VanDerWaalsContact O-CB 3.27Å; A527-L531 WeakPolarHBondContact O-CB 3.4Å; A527-L531 PolarHBondContact O-N 2.78Å
528	V	91.5	Very high	87.3	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-35.9	176.2	178.7	0	0	0	0	111.8	L491 V514 I517 L524 V525 L531 N532 M556 F559	L491-V528 HydrophobicContact CD1-CG2 3.66Å; V514-V528 HydrophobicContact CG1-CG1 4.49Å; I517-V528 HydrophobicContact CB-CG2 4.41Å; I517-V528 HydrophobicContact CD1-CG2 4.07Å; I517-V528 HydrophobicContact CG2-CG2 3.78Å; L524-V528 WeakPolarHBondContact O-CG2 3.13Å; L524-V528 PolarHBondContact O-N 3.16Å; V525-V528 PolarHBondContact O-N 2.87Å; V525-V528 VanDerWaalsContact O-N 3.16Å; V528-L531 PolarHBondContact O-N 2.84Å; V528-N532 WeakPolarHBondContact CG1-ND2 3.43Å; V528-N532 WeakPolarHBondContact O-CB 3.37Å; V528-N532 PolarHBondContact O-N 2.65Å; V528-N532 PolarHBondContact O-ND2 2.96Å; V528-M556 HydrophobicContact CG1-CE 4.18Å; V528-F559 HydrophobicContact CB-CE2 4.14Å; V528-F559 HydrophobicContact CB-CZ 4.41Å; V528-F559 HydrophobicContact CG1-CE2 3.76Å; V528-F559 HydrophobicContact CG1-CZ 4.13Å
529	I	91	Very high	86.6	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.046	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-47.6	173.4	-65.1	157.1	0	0	0	110.2	V525 L526 L531 N532 R533 M556 A572 V573 L576	V525-I529 HydrophobicContact CG1-CD1 3.65Å; V525-I529 HydrophobicContact CG1-CG1 4.39Å; V525-I529 WeakPolarHBondContact O-CD1 3.31Å; V525-I529 VanDerWaalsContact O-CG1 3.27Å; V525-I529 WeakPolarHBondContact O-CG1 3.43Å; V525-I529 PolarHBondContact O-N 2.95Å; L526-I529 HydrophobicContact CD2-CD1 4.33Å; L526-I529 PolarHBondContact O-N 3.39Å; I529-L531 VanDerWaalsContact C-N 3.3Å; I529-L531 PolarHBondContact O-N 3.14Å; I529-N532 PolarHBondContact O-N 3.4Å; I529-R533 WeakPolarHBondContact O-CB 3.38Å; I529-R533 PolarHBondContact O-N 2.86Å; I529-M556 HydrophobicContact CG1-SD 4.5Å; I529-A572 HydrophobicContact CG2-CB 4.36Å; I529-V573 HydrophobicContact CD1-CB 4.48Å; I529-V573 HydrophobicContact CD1-CG2 3.35Å; I529-V573 HydrophobicContact CG1-CG2 4.12Å; I529-L576 HydrophobicContact CG2-CD2 3.87Å; I529-L576 WeakPolarHBondContact O-CD2 3.31Å
530	A	90.2	Very high	85.5	Confident	58 Å²	58	50.6 Å²	50.6	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-40.4	176.9	0	0	0	0	0	111.6	L526 A527 R534	L526-A530 WeakPolarHBondContact O-CB 3.5Å; L526-A530 PolarHBondContact O-N 2.76Å; A527-A530 PolarHBondContact O-N 3.11Å; A530-R534 VanDerWaalsContact O-CB 3.27Å; A530-R534 WeakPolarHBondContact O-CB 3.31Å; A530-R534 PolarHBondContact O-N 3.49Å
531	L	90.8	Very high	84.3	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-49.3	175.1	-171.4	66.7	0	0	0	112	L491 L494 F498 V514 A527 V528 I529 R534 L535	L491-L531 HydrophobicContact CB-CD2 4.29Å; L491-L531 HydrophobicContact CD2-CD2 3.93Å; L491-L531 WeakPolarHBondContact O-CD1 3.29Å; L494-L531 HydrophobicContact CD2-CD2 4.2Å; F498-L531 HydrophobicContact CE1-CD1 4.32Å; F498-L531 HydrophobicContact CE2-CD1 3.49Å; F498-L531 VanDerWaalsContact CE2-CD1 3.49Å; F498-L531 HydrophobicContact CE2-CG 3.99Å; F498-L531 HydrophobicContact CZ-CD1 3.33Å; F498-L531 HydrophobicContact CZ-CD2 4.35Å; F498-L531 HydrophobicContact CZ-CG 3.74Å; V514-L531 HydrophobicContact CG1-CD2 4.19Å; V514-L531 HydrophobicContact CG2-CD2 3.69Å; A527-L531 VanDerWaalsContact O-CB 3.27Å; A527-L531 WeakPolarHBondContact O-CB 3.4Å; A527-L531 PolarHBondContact O-N 2.78Å; V528-L531 PolarHBondContact O-N 2.84Å; I529-L531 VanDerWaalsContact C-N 3.3Å; I529-L531 PolarHBondContact O-N 3.14Å; L531-R534 PolarHBondContact O-N 3.38Å; L531-L535 WeakPolarHBondContact O-CB 3.33Å; L531-L535 PolarHBondContact O-N 3.05Å
532	N	89.4	Confident	83.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-38.3	179.1	-82.1	-82.7	0	0	0	112.7	V514 V528 I529 R534 L535 I536 M556 L576 M580	V514-N532 WeakPolarHBondContact CG1-ND2 3.43Å; V528-N532 WeakPolarHBondContact CG1-ND2 3.43Å; V528-N532 WeakPolarHBondContact O-CB 3.37Å; V528-N532 PolarHBondContact O-N 2.65Å; V528-N532 PolarHBondContact O-ND2 2.96Å; I529-N532 PolarHBondContact O-N 3.4Å; N532-R534 VanDerWaalsContact C-N 3.35Å; N532-L535 WeakPolarHBondContact O-CB 3.38Å; N532-L535 PolarHBondContact O-N 3.43Å; N532-I536 WeakPolarHBondContact O-CG1 3.47Å; N532-I536 PolarHBondContact O-N 3.21Å; N532-I536 VanDerWaalsContact O-N 3.1Å; N532-M556 HydrophobicContact CB-CE 4.43Å; N532-M556 HydrophobicContact CB-SD 4.31Å; N532-L576 HydrophobicContact CB-CD2 3.82Å; N532-M580 HydrophobicContact CB-CE 3.93Å
533	R	89.9	Confident	83.4	Confident	170 Å²	170	45.4 Å²	45.4	64%	0.642	23%	0.229	S	C	*	.	H	α-helix	trans	-60	-47	172	-177.3	177.4	177.7	-179.3	-1.3	110.7	I529 I536 S537 L576	I529-R533 WeakPolarHBondContact O-CB 3.38Å; I529-R533 PolarHBondContact O-N 2.86Å; R533-I536 PolarHBondContact O-N 3.2Å; R533-S537 PolarHBondContact O-N 3.05Å; R533-S537 PolarHBondContact O-OG 3.42Å; R533-S537 VanDerWaalsContact O-OG 3.13Å; R533-L576 HydrophobicContact CB-CD1 3.95Å; R533-L576 HydrophobicContact CB-CD2 4.2Å; R533-L576 HydrophobicContact CG-CD1 4.42Å
534	R	86.4	Confident	83.3	Confident	90 Å²	90	43.1 Å²	43.1	34%	0.34	22%	0.222	S	C	.	.	H	α-helix	trans	-64.4	-44.6	178.4	-176.1	172.3	-176	171.3	-1.8	112.2	G495 A530 L531 N532 I536 S537 D538	G495-R534 WeakPolarHBondContact O-CD 3.44Å; G495-R534 PolarHBondContact O-NE 3.06Å; G495-R534 VanDerWaalsContact O-NE 3.07Å; A530-R534 VanDerWaalsContact O-CB 3.27Å; A530-R534 WeakPolarHBondContact O-CB 3.31Å; A530-R534 PolarHBondContact O-N 3.49Å; L531-R534 PolarHBondContact O-N 3.38Å; N532-R534 VanDerWaalsContact C-N 3.35Å; R534-I536 VanDerWaalsContact C-N 3.27Å; R534-I536 PolarHBondContact O-N 3.35Å; R534-S537 PolarHBondContact O-N 2.92Å; R534-D538 VanDerWaalsContact CG-OD2 3.23Å; R534-D538 WeakPolarHBondContact CG-OD2 3.26Å; R534-D538 IonicContact CZ-OD2 3.14Å; R534-D538 IonicContact NE-OD2 2.62Å; R534-D538 PolarHBondContact NE-OD2 2.93Å; R534-D538 IonicContact NH2-OD2 3.28Å; R534-D538 VanDerWaalsContact O-CB 3.24Å; R534-D538 WeakPolarHBondContact O-CB 3.32Å; R534-D538 PolarHBondContact O-N 2.87Å
535	L	86.4	Confident	83.2	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-49.9	-49.8	174.1	-175.7	87.3	0	0	0	110.8	F498 L506 L511 L531 N532 R539 I543 L552	F498-L535 HydrophobicContact CD1-CD1 4.38Å; F498-L535 HydrophobicContact CD2-CB 4.1Å; F498-L535 HydrophobicContact CD2-CD1 3.86Å; F498-L535 HydrophobicContact CE1-CD1 4.15Å; F498-L535 HydrophobicContact CE2-CB 3.68Å; F498-L535 HydrophobicContact CE2-CD1 3.59Å; F498-L535 HydrophobicContact CE2-CG 4.27Å; F498-L535 HydrophobicContact CG-CD1 4.24Å; F498-L535 HydrophobicContact CZ-CB 4.45Å; F498-L535 HydrophobicContact CZ-CD1 3.72Å; L506-L535 HydrophobicContact CD1-CD1 3.89Å; L506-L535 HydrophobicContact CD2-CD1 3.98Å; L506-L535 HydrophobicContact CG-CD1 4.17Å; L511-L535 HydrophobicContact CD2-CD1 3.89Å; L511-L535 HydrophobicContact CD2-CD2 3.58Å; L511-L535 HydrophobicContact CD2-CG 4.36Å; L531-L535 WeakPolarHBondContact O-CB 3.33Å; L531-L535 PolarHBondContact O-N 3.05Å; N532-L535 WeakPolarHBondContact O-CB 3.38Å; N532-L535 PolarHBondContact O-N 3.43Å; L535-R539 WeakPolarHBondContact O-CB 3.33Å; L535-R539 PolarHBondContact O-N 2.69Å; L535-I543 HydrophobicContact CD1-CD1 4.26Å; L535-I543 HydrophobicContact CD2-CD1 3.82Å; L535-I543 HydrophobicContact CG-CD1 3.62Å; L535-L552 HydrophobicContact CD2-CD1 3.51Å
536	I	85.4	Confident	83.1	Confident	14 Å²	14	49 Å²	49	7%	0.072	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-44.2	-179.5	-73.9	167.7	0	0	0	112.3	N532 R533 R534 N540 L576 T579 M580 L583	N532-I536 WeakPolarHBondContact O-CG1 3.47Å; N532-I536 PolarHBondContact O-N 3.21Å; N532-I536 VanDerWaalsContact O-N 3.1Å; R533-I536 PolarHBondContact O-N 3.2Å; R534-I536 VanDerWaalsContact C-N 3.27Å; R534-I536 PolarHBondContact O-N 3.35Å; I536-N540 PolarHBondContact O-N 3.02Å; I536-L576 HydrophobicContact CD1-CD1 4.1Å; I536-T579 HydrophobicContact CG2-CG2 4.38Å; I536-M580 HydrophobicContact CD1-CE 3.65Å; I536-M580 HydrophobicContact CD1-CG 3.55Å; I536-M580 HydrophobicContact CD1-SD 4.45Å; I536-L583 HydrophobicContact CG2-CD1 3.42Å; I536-L583 VanDerWaalsContact CG2-CD1 3.42Å
537	S	82.2	Confident	83	Confident	74 Å²	74	49.6 Å²	49.6	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-70.9	-38.6	-179.1	-61.2	0	0	0	0	113.5	R533 R534	R533-S537 PolarHBondContact O-N 3.05Å; R533-S537 PolarHBondContact O-OG 3.42Å; R533-S537 VanDerWaalsContact O-OG 3.13Å; R534-S537 PolarHBondContact O-N 2.92Å
538	D	75.1	Confident	82.8	Confident	42 Å²	42	49.3 Å²	49.3	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-77.9	-19.7	-177.9	-79	-20.2	0	0	0	113	K499 R534	K499-D538 WeakPolarHBondContact CE-OD1 3.18Å; K499-D538 WeakPolarHBondContact CE-OD2 3.46Å; K499-D538 HydrophobicContact CG-CB 4.3Å; K499-D538 IonicContact NZ-OD1 3.8Å; K499-D538 PolarHBondContact NZ-OD1 2.54Å; K499-D538 IonicContact NZ-OD2 3.75Å; R534-D538 VanDerWaalsContact CG-OD2 3.23Å; R534-D538 WeakPolarHBondContact CG-OD2 3.26Å; R534-D538 IonicContact CZ-OD2 3.14Å; R534-D538 IonicContact NE-OD2 2.62Å; R534-D538 PolarHBondContact NE-OD2 2.93Å; R534-D538 IonicContact NH2-OD2 3.28Å; R534-D538 VanDerWaalsContact O-CB 3.24Å; R534-D538 WeakPolarHBondContact O-CB 3.32Å; R534-D538 PolarHBondContact O-N 2.87Å
539	R	69.2	Low	82.7	Confident	39 Å²	39	51.1 Å²	51.1	15%	0.147	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	44.7	-178.8	-67.6	-75.8	177	-165.3	-0.4	111.7	F498 K499 L501 L506 L535 N541 E542 I543	F498-R539 PolarHBondContact O-NE 3.31Å; F498-R539 PolarHBondContact O-NH2 2.98Å; K499-R539 PolarHBondContact O-NH2 2.99Å; L501-R539 PolarHBondContact O-NH2 3.24Å; L506-R539 HydrophobicContact CD2-CG 4.36Å; L535-R539 WeakPolarHBondContact O-CB 3.33Å; L535-R539 PolarHBondContact O-N 2.69Å; R539-N541 PolarHBondContact O-N 3.42Å; R539-E542 HydrophobicContact CB-CB 4.36Å; R539-E542 WeakPolarHBondContact CD-OE2 3.49Å; R539-E542 IonicContact CZ-OE2 3.18Å; R539-E542 IonicContact NE-OE2 3.54Å; R539-E542 IonicContact NH1-OE1 3.56Å; R539-E542 IonicContact NH1-OE2 3.69Å; R539-E542 PolarHBondContact NH1-OE2 2.87Å; R539-E542 PolarHBondContact O-N 3.23Å; R539-I543 HydrophobicContact CB-CD1 4.09Å; R539-I543 HydrophobicContact CB-CG1 4.13Å
540	N	62.2	Low	82.6	Confident	113 Å²	113	53.3 Å²	53.3	60%	0.604	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	95.3	-165.9	-165.5	3.9	0	0	0	113.3	I536	I536-N540 PolarHBondContact O-N 3.02Å
541	N	59.4	Low	82.4	Confident	65 Å²	65	52.9 Å²	52.9	35%	0.348	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	8.7	-175.3	-45.9	-78.5	0	0	0	117.8	R539 L583 R586	R539-N541 PolarHBondContact O-N 3.42Å; N541-L583 WeakPolarHBondContact OD1-CD2 3.42Å; N541-R586 VanDerWaalsContact OD1-CZ 3.29Å; N541-R586 PolarHBondContact OD1-NE 3.03Å; N541-R586 PolarHBondContact OD1-NH2 2.97Å
542	E	73.8	Confident	82.3	Confident	95 Å²	95	52.5 Å²	52.5	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-26.6	173.4	-65.5	179	-168.3	0	0	112.8	L503 R539 P544	L503-E542 VanDerWaalsContact CD2-O 3.29Å; L503-E542 WeakPolarHBondContact CD2-O 3.36Å; R539-E542 HydrophobicContact CB-CB 4.36Å; R539-E542 WeakPolarHBondContact CD-OE2 3.49Å; R539-E542 IonicContact CZ-OE2 3.18Å; R539-E542 IonicContact NE-OE2 3.54Å; R539-E542 IonicContact NH1-OE1 3.56Å; R539-E542 IonicContact NH1-OE2 3.69Å; R539-E542 PolarHBondContact NH1-OE2 2.87Å; R539-E542 PolarHBondContact O-N 3.23Å; E542-P544 WeakPolarHBondContact O-CD 3.38Å
543	I	82.2	Confident	82.4	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	28%	0.282	C	S	.	.	S	Bend	trans	-82.4	121.6	-177.3	-57.5	173	0	0	0	109.7	L503 L506 L511 L535 R539 I548 Q587	L503-I543 HydrophobicContact CD1-CG1 4.38Å; L506-I543 HydrophobicContact CD2-CD1 4.31Å; L506-I543 HydrophobicContact CD2-CG1 4.41Å; L511-I543 HydrophobicContact CD1-CG2 4.26Å; L535-I543 HydrophobicContact CD1-CD1 4.26Å; L535-I543 HydrophobicContact CD2-CD1 3.82Å; L535-I543 HydrophobicContact CG-CD1 3.62Å; R539-I543 HydrophobicContact CB-CD1 4.09Å; R539-I543 HydrophobicContact CB-CG1 4.13Å; I543-I548 HydrophobicContact CG2-CD1 4.46Å; I543-I548 HydrophobicContact CG2-CG1 3.94Å; I543-Q587 PolarHBondContact O-NE2 3.34Å; I543-Q587 PolarHBondContact O-OE1 3.4Å
544	P	84.6	Confident	82.4	Confident	46 Å²	46	48.3 Å²	48.3	30%	0.299	27%	0.268	S	S	.	.			trans	-65.7	140.7	-179.6	-19.6	31.1	0	0	0	112.7	E542 T546 Y547 I548	E542-P544 WeakPolarHBondContact O-CD 3.38Å; P544-T546 PolarHBondContact O-N 2.63Å; P544-Y547 HydrophobicContact CB-CD2 4.08Å; P544-Y547 HydrophobicContact CG-CD2 4.06Å; P544-Y547 HydrophobicContact CG-CE2 4.29Å; P544-Y547 PolarHBondContact O-N 3.22Å; P544-I548 PolarHBondContact O-N 2.92Å
545	Y	86.1	Confident	82.5	Confident	53 Å²	53	44.5 Å²	44.5	21%	0.208	26%	0.256	C	S	.	.	H	α-helix	trans	-54.3	-26.2	-179.9	69.7	-91	0	0	0	114	Y547 I548 A549 Q587 R588 E591	Y545-Y547 PolarHBondContact O-N 2.9Å; Y545-I548 PolarHBondContact O-N 3Å; Y545-A549 VanDerWaalsContact O-CB 3.25Å; Y545-A549 WeakPolarHBondContact O-CB 3.21Å; Y545-A549 PolarHBondContact O-N 3.12Å; Y545-Q587 HydrophobicContact CD1-CB 4.06Å; Y545-Q587 HydrophobicContact CG-CB 4.47Å; Y545-R588 PolarHBondContact OH-NH1 3.42Å; Y545-E591 WeakPolarHBondContact CE1-OE2 3.5Å; Y545-E591 VanDerWaalsContact CZ-OE2 3.24Å; Y545-E591 PolarHBondContact OH-OE2 2.69Å
546	T	88.8	Confident	82.7	Confident	77 Å²	77	44.3 Å²	44.3	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-42.5	175.6	49.9	0	0	0	0	112.1	P544 G550	P544-T546 PolarHBondContact O-N 2.63Å; T546-G550 WeakPolarHBondContact O-CA 3.45Å; T546-G550 PolarHBondContact O-N 2.87Å
547	Y	88	Confident	83	Confident	69 Å²	69	47.2 Å²	47.2	27%	0.271	27%	0.273	S	S	.	.	H	α-helix	trans	-73.3	-37.6	175.8	-67.8	-84.3	0	0	0	112	C507 L511 P544 Y545 M551 L552	C507-Y547 HydrophobicContact CB-CD1 4.1Å; C507-Y547 HydrophobicContact CB-CD2 4.45Å; C507-Y547 HydrophobicContact CB-CE1 3.68Å; C507-Y547 HydrophobicContact CB-CE2 4.04Å; C507-Y547 HydrophobicContact CB-CG 4.48Å; L511-Y547 HydrophobicContact CD1-CD1 4.21Å; L511-Y547 HydrophobicContact CD1-CG 4.2Å; P544-Y547 HydrophobicContact CB-CD2 4.08Å; P544-Y547 HydrophobicContact CG-CD2 4.06Å; P544-Y547 HydrophobicContact CG-CE2 4.29Å; P544-Y547 PolarHBondContact O-N 3.22Å; Y545-Y547 PolarHBondContact O-N 2.9Å; Y547-M551 HydrophobicContact CD1-SD 3.76Å; Y547-M551 HydrophobicContact CE1-SD 4.38Å; Y547-M551 WeakPolarHBondContact O-CB 3.41Å; Y547-M551 PolarHBondContact O-N 3.19Å; Y547-L552 PolarHBondContact O-N 3.31Å
548	I	87.1	Confident	83.3	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	28%	0.277	C	S	.	.	I	π-helix	trans	-63.1	-51.2	176.9	-51.3	178.7	0	0	0	109.8	I543 P544 Y545 L552 L553 M580 L583 I584	I543-I548 HydrophobicContact CG2-CD1 4.46Å; I543-I548 HydrophobicContact CG2-CG1 3.94Å; P544-I548 PolarHBondContact O-N 2.92Å; Y545-I548 PolarHBondContact O-N 3Å; I548-L552 PolarHBondContact O-N 3.48Å; I548-L553 WeakPolarHBondContact O-CB 3.33Å; I548-L553 PolarHBondContact O-N 2.66Å; I548-M580 HydrophobicContact CG2-CB 3.81Å; I548-M580 HydrophobicContact CG2-CG 3.89Å; I548-M580 HydrophobicContact CG2-SD 4.46Å; I548-L583 HydrophobicContact CD1-CB 4.39Å; I548-I584 HydrophobicContact CB-CD1 4.27Å; I548-I584 HydrophobicContact CB-CG1 4.03Å; I548-I584 HydrophobicContact CG2-CD1 3.88Å; I548-I584 HydrophobicContact CG2-CG1 3.94Å
549	A	88.5	Confident	84	Confident	39 Å²	39	47.5 Å²	47.5	32%	0.322	27%	0.268	S	S	.	.	I	π-helix	trans	-71.1	-39.8	-178.8	0	0	0	0	0	113.2	Y545 P554 I584	Y545-A549 VanDerWaalsContact O-CB 3.25Å; Y545-A549 WeakPolarHBondContact O-CB 3.21Å; Y545-A549 PolarHBondContact O-N 3.12Å; A549-P554 WeakPolarHBondContact O-CD 3.08Å; A549-I584 HydrophobicContact CB-CD1 3.74Å; A549-I584 HydrophobicContact CB-CG1 4.23Å
550	G	88.6	Confident	85	Confident	55 Å²	55	47.8 Å²	47.8	57%	0.567	27%	0.273	S	S	*	.	I	π-helix	trans	-83.3	-23.9	-174.6	0	0	0	0	0	115.2	T546	T546-G550 WeakPolarHBondContact O-CA 3.45Å; T546-G550 PolarHBondContact O-N 2.87Å
551	M	87.4	Confident	86.3	Confident	49 Å²	49	46.5 Å²	46.5	24%	0.241	28%	0.277	C	S	.	.	I	π-helix	trans	-130	-48	-169.8	-50.2	-170.6	72.3	0	0	114.1	L511 P512 S515 Y547	L511-M551 HydrophobicContact CB-SD 4.48Å; P512-M551 HydrophobicContact CB-CE 4.02Å; P512-M551 HydrophobicContact CG-CE 3.92Å; S515-M551 WeakPolarHBondContact CB-O 3.5Å; Y547-M551 HydrophobicContact CD1-SD 3.76Å; Y547-M551 HydrophobicContact CE1-SD 4.38Å; Y547-M551 WeakPolarHBondContact O-CB 3.41Å; Y547-M551 PolarHBondContact O-N 3.19Å
552	L	87.6	Confident	87.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.27	C	S	.	.	I	π-helix	trans	-82.7	-46.7	-173	-51.8	-175.9	0	0	0	112.1	L511 L535 Y547 I548 S555 M556 M580	L511-L552 HydrophobicContact CB-CD2 4.37Å; L511-L552 HydrophobicContact CD1-CD1 4.44Å; L511-L552 HydrophobicContact CD2-CD2 4.2Å; L535-L552 HydrophobicContact CD2-CD1 3.51Å; Y547-L552 PolarHBondContact O-N 3.31Å; I548-L552 PolarHBondContact O-N 3.48Å; L552-S555 WeakPolarHBondContact O-CB 3.42Å; L552-S555 PolarHBondContact O-N 2.81Å; L552-M556 PolarHBondContact O-N 3.43Å; L552-M556 VanDerWaalsContact O-N 3.09Å; L552-M580 HydrophobicContact CB-CE 3.78Å; L552-M580 HydrophobicContact CB-SD 4.12Å
553	L	90.9	Very high	88.4	Confident	26 Å²	26	50.8 Å²	50.8	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-43.9	179.5	-177.4	70.5	0	0	0	112.5	I548 S555 M556 V557 T577 M580 L581 I584	I548-L553 WeakPolarHBondContact O-CB 3.33Å; I548-L553 PolarHBondContact O-N 2.66Å; L553-S555 VanDerWaalsContact C-N 3.29Å; L553-S555 PolarHBondContact O-N 2.88Å; L553-M556 PolarHBondContact O-N 3Å; L553-V557 HydrophobicContact CD1-CG2 4.34Å; L553-V557 HydrophobicContact CG-CG2 4.34Å; L553-V557 VanDerWaalsContact O-CG2 3.31Å; L553-V557 WeakPolarHBondContact O-CG2 3.28Å; L553-V557 PolarHBondContact O-N 2.82Å; L553-T577 HydrophobicContact CD1-CG2 3.7Å; L553-M580 HydrophobicContact CB-SD 4.37Å; L553-M580 HydrophobicContact CD1-CB 4.06Å; L553-M580 HydrophobicContact CD1-SD 4.42Å; L553-L581 HydrophobicContact CD1-CD2 4.34Å; L553-L581 HydrophobicContact CD1-CG 4.16Å; L553-L581 HydrophobicContact CD2-CD2 3.72Å; L553-L581 HydrophobicContact CD2-CG 4.41Å; L553-I584 HydrophobicContact CD2-CD1 3.95Å
554	P	91.2	Very high	88.5	Confident	56 Å²	56	53.9 Å²	53.9	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-36.1	174.7	-25.1	36.2	0	0	0	113.3	A549 N558	A549-P554 WeakPolarHBondContact O-CD 3.08Å; P554-N558 PolarHBondContact O-N 2.8Å; P554-N558 VanDerWaalsContact O-N 3.09Å; P554-N558 PolarHBondContact O-ND2 3.26Å
555	S	88.1	Confident	88.6	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-47.6	174.1	-175.9	0	0	0	0	111.1	L552 L553 V557 N558 F559	L552-S555 WeakPolarHBondContact O-CB 3.42Å; L552-S555 PolarHBondContact O-N 2.81Å; L553-S555 VanDerWaalsContact C-N 3.29Å; L553-S555 PolarHBondContact O-N 2.88Å; S555-V557 PolarHBondContact O-N 3.05Å; S555-N558 PolarHBondContact O-N 3.01Å; S555-F559 PolarHBondContact O-N 3.45Å
556	M	89.9	Confident	88.8	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-37.7	178.3	-59.8	-56.4	94.7	0	0	112.8	V528 I529 N532 L552 L553 F559 L560 V573 L576 M580	V528-M556 HydrophobicContact CG1-CE 4.18Å; I529-M556 HydrophobicContact CG1-SD 4.5Å; N532-M556 HydrophobicContact CB-CE 4.43Å; N532-M556 HydrophobicContact CB-SD 4.31Å; L552-M556 PolarHBondContact O-N 3.43Å; L552-M556 VanDerWaalsContact O-N 3.09Å; L553-M556 PolarHBondContact O-N 3Å; M556-F559 HydrophobicContact CE-CD2 3.81Å; M556-F559 HydrophobicContact CE-CE2 3.65Å; M556-F559 PolarHBondContact O-N 2.96Å; M556-F559 HydrophobicContact SD-CD2 4.4Å; M556-L560 PolarHBondContact O-N 3.4Å; M556-V573 WeakPolarHBondContact O-CG1 3.23Å; M556-L576 HydrophobicContact SD-CD2 3.81Å; M556-M580 HydrophobicContact CB-SD 4.44Å; M556-M580 HydrophobicContact CG-CE 3.6Å; M556-M580 HydrophobicContact CG-SD 3.63Å; M556-M580 HydrophobicContact SD-CE 4.32Å
557	V	91.6	Very high	88.9	Confident	74 Å²	74	55.3 Å²	55.3	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-39	177.1	169.7	0	0	0	0	111.4	L553 S555 F559 L560 T577	L553-V557 HydrophobicContact CD1-CG2 4.34Å; L553-V557 HydrophobicContact CG-CG2 4.34Å; L553-V557 VanDerWaalsContact O-CG2 3.31Å; L553-V557 WeakPolarHBondContact O-CG2 3.28Å; L553-V557 PolarHBondContact O-N 2.82Å; S555-V557 PolarHBondContact O-N 3.05Å; V557-F559 VanDerWaalsContact C-N 3.29Å; V557-F559 PolarHBondContact O-N 3.39Å; V557-L560 WeakPolarHBondContact O-CB 3.44Å; V557-L560 PolarHBondContact O-N 3.33Å; V557-T577 HydrophobicContact CG2-CG2 4.31Å
558	N	89.2	Confident	89.1	Confident	114 Å²	114	55.8 Å²	55.8	61%	0.61	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-35.8	173.9	-73.9	-44	0	0	0	112.4	P554 S555 L560 A561	P554-N558 PolarHBondContact O-N 2.8Å; P554-N558 VanDerWaalsContact O-N 3.09Å; P554-N558 PolarHBondContact O-ND2 3.26Å; S555-N558 PolarHBondContact O-N 3.01Å; N558-L560 VanDerWaalsContact C-N 3.34Å; N558-L560 PolarHBondContact O-N 3.29Å; N558-A561 PolarHBondContact O-N 2.98Å
559	F	90.8	Very high	89.3	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.035	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-27.5	177.1	-62.6	-31.5	0	0	0	113.6	T519 V525 V528 S555 M556 V557 A561 L562 L565 V573	T519-F559 HydrophobicContact CG2-CE1 4.29Å; T519-F559 HydrophobicContact CG2-CZ 4.46Å; V525-F559 HydrophobicContact CG1-CB 4.31Å; V525-F559 HydrophobicContact CG1-CD1 4.3Å; V525-F559 HydrophobicContact CG1-CD2 4.16Å; V525-F559 HydrophobicContact CG1-CG 4.02Å; V525-F559 HydrophobicContact CG2-CD1 4.12Å; V525-F559 HydrophobicContact CG2-CE1 4.07Å; V528-F559 HydrophobicContact CB-CE2 4.14Å; V528-F559 HydrophobicContact CB-CZ 4.41Å; V528-F559 HydrophobicContact CG1-CE2 3.76Å; V528-F559 HydrophobicContact CG1-CZ 4.13Å; S555-F559 PolarHBondContact O-N 3.45Å; M556-F559 HydrophobicContact CE-CD2 3.81Å; M556-F559 HydrophobicContact CE-CE2 3.65Å; M556-F559 PolarHBondContact O-N 2.96Å; M556-F559 HydrophobicContact SD-CD2 4.4Å; V557-F559 VanDerWaalsContact C-N 3.29Å; V557-F559 PolarHBondContact O-N 3.39Å; F559-A561 PolarHBondContact O-N 3.27Å; F559-A561 VanDerWaalsContact O-N 3.12Å; F559-L562 HydrophobicContact CB-CD1 4.35Å; F559-L562 HydrophobicContact CD1-CD1 3.73Å; F559-L562 HydrophobicContact CG-CD1 4.42Å; F559-L562 WeakPolarHBondContact O-CB 3.23Å; F559-L562 PolarHBondContact O-N 3.17Å; F559-L562 VanDerWaalsContact O-N 3.09Å; F559-L565 VanDerWaalsContact O-CD1 3.27Å; F559-L565 WeakPolarHBondContact O-CD1 3.38Å; F559-V573 HydrophobicContact CB-CG1 4.27Å; F559-V573 HydrophobicContact CB-CG2 4.32Å
560	L	89.7	Confident	89.5	Confident	46 Å²	46	58.8 Å²	58.8	24%	0.241	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	176.3	-69.4	172.5	0	0	0	113.7	M556 V557 N558 F570 V573 I574 T577	M556-L560 PolarHBondContact O-N 3.4Å; V557-L560 WeakPolarHBondContact O-CB 3.44Å; V557-L560 PolarHBondContact O-N 3.33Å; N558-L560 VanDerWaalsContact C-N 3.34Å; N558-L560 PolarHBondContact O-N 3.29Å; L560-F570 HydrophobicContact CD2-CD2 4.16Å; L560-F570 HydrophobicContact CD2-CE2 3.74Å; L560-F570 HydrophobicContact CD2-CZ 4.3Å; L560-V573 HydrophobicContact CD2-CB 3.83Å; L560-V573 HydrophobicContact CD2-CG1 3.41Å; L560-V573 VanDerWaalsContact CD2-CG1 3.41Å; L560-V573 HydrophobicContact CG-CG1 3.66Å; L560-I574 HydrophobicContact CD1-CD1 3.83Å; L560-I574 HydrophobicContact CD2-CB 3.93Å; L560-I574 HydrophobicContact CD2-CD1 3.89Å; L560-I574 HydrophobicContact CD2-CG1 4.46Å; L560-T577 HydrophobicContact CD1-CG2 4.34Å
561	A	89.9	Confident	89.7	Confident	85 Å²	85	63.9 Å²	63.9	70%	0.702	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.4	178.3	0	0	0	0	0	114.2	N558 F559 K563	N558-A561 PolarHBondContact O-N 2.98Å; F559-A561 PolarHBondContact O-N 3.27Å; F559-A561 VanDerWaalsContact O-N 3.12Å; A561-K563 PolarHBondContact O-N 2.86Å
562	L	88.7	Confident	89.9	Confident	36 Å²	36	63.4 Å²	63.4	19%	0.188	34%	0.344	C	S	.	.			trans	-76.9	118.3	-175.4	-71.6	179.3	0	0	0	112.8	V520 V525 F559 T564 L565	V520-L562 HydrophobicContact CB-CD2 4.47Å; V520-L562 HydrophobicContact CG1-CD2 4.04Å; V525-L562 HydrophobicContact CG1-CD1 4.45Å; V525-L562 HydrophobicContact CG2-CD1 3.64Å; F559-L562 HydrophobicContact CB-CD1 4.35Å; F559-L562 HydrophobicContact CD1-CD1 3.73Å; F559-L562 HydrophobicContact CG-CD1 4.42Å; F559-L562 WeakPolarHBondContact O-CB 3.23Å; F559-L562 PolarHBondContact O-N 3.17Å; F559-L562 VanDerWaalsContact O-N 3.09Å; L562-T564 PolarHBondContact O-N 2.84Å; L562-T564 VanDerWaalsContact O-N 3.12Å; L562-L565 HydrophobicContact CB-CD1 4.3Å; L562-L565 HydrophobicContact CB-CG 4.03Å; L562-L565 PolarHBondContact O-N 2.98Å
563	K	87.4	Confident	90.1	Very high	215 Å²	215	63.4 Å²	63.4	94%	0.935	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-6.6	176.2	-59.4	-176.4	-179.4	-178.4	0	114.6	A561	A561-K563 PolarHBondContact O-N 2.86Å
564	T	85.5	Confident	90.3	Very high	69 Å²	69	63.8 Å²	63.8	42%	0.423	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.9	-178.8	47.5	0	0	0	0	113.9	V520 L562	V520-T564 PolarHBondContact O-OG1 3.15Å; L562-T564 PolarHBondContact O-N 2.84Å; L562-T564 VanDerWaalsContact O-N 3.12Å
565	L	86.5	Confident	90.3	Very high	30 Å²	30	65.2 Å²	65.2	16%	0.157	35%	0.351	C	S	.	.			trans	-82	138.2	-179.3	-61	-176.8	0	0	0	112.4	V525 F559 L562 D569 V573	V525-L565 HydrophobicContact CG1-CD2 3.99Å; F559-L565 VanDerWaalsContact O-CD1 3.27Å; F559-L565 WeakPolarHBondContact O-CD1 3.38Å; L562-L565 HydrophobicContact CB-CD1 4.3Å; L562-L565 HydrophobicContact CB-CG 4.03Å; L562-L565 PolarHBondContact O-N 2.98Å; L565-D569 HydrophobicContact CB-CB 4.12Å; L565-D569 HydrophobicContact CD2-CB 3.85Å; L565-D569 HydrophobicContact CG-CB 4.49Å; L565-V573 HydrophobicContact CD1-CG2 4.02Å
566	T	89.9	Confident	90.5	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.313	35%	0.35	S	S	.	.			trans	-80.3	170	164.6	70	0	0	0	0	110.9	S568 D569 F570	T566-S568 VanDerWaalsContact C-N 3.25Å; T566-S568 PolarHBondContact O-N 2.75Å; T566-S568 PolarHBondContact OG1-OG 3.32Å; T566-D569 WeakPolarHBondContact CB-OD2 3.27Å; T566-D569 WeakPolarHBondContact CG2-OD2 3.35Å; T566-D569 PolarHBondContact N-OD2 3.15Å; T566-D569 PolarHBondContact O-N 2.92Å; T566-D569 VanDerWaalsContact O-N 3.09Å; T566-D569 PolarHBondContact OG1-N 2.83Å; T566-D569 PolarHBondContact OG1-OD1 2.7Å; T566-D569 VanDerWaalsContact OG1-OD1 3.12Å; T566-D569 PolarHBondContact OG1-OD2 2.99Å; T566-F570 PolarHBondContact O-N 3.41Å
567	I	91.5	Very high	90.7	Very high	125 Å²	125	65.5 Å²	65.5	64%	0.641	35%	0.352	S	S	*	.	H	α-helix	trans	-59.4	-35.4	177.5	-68.3	173.8	0	0	0	111.9	R571	I567-R571 WeakPolarHBondContact O-CB 3.49Å; I567-R571 WeakPolarHBondContact O-CD 3.46Å; I567-R571 WeakPolarHBondContact O-CG 3.48Å; I567-R571 PolarHBondContact O-N 3.41Å
568	S	90.8	Very high	90.8	Very high	79 Å²	79	68.1 Å²	68.1	55%	0.552	35%	0.354	S	S	*	.	H	α-helix	trans	-66.4	-41.9	173.4	33.1	0	0	0	0	112.4	T566 R571 A572	T566-S568 VanDerWaalsContact C-N 3.25Å; T566-S568 PolarHBondContact O-N 2.75Å; T566-S568 PolarHBondContact OG1-OG 3.32Å; S568-R571 PolarHBondContact O-N 3.23Å; S568-A572 PolarHBondContact O-N 3.5Å
569	D	91.7	Very high	90.9	Very high	13 Å²	13	65.7 Å²	65.7	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-43.3	-178.1	-42.8	-32.7	0	0	0	110.2	R522 L526 L565 T566 R571 A572 V573	R522-D569 WeakPolarHBondContact CD-OD2 3.2Å; L526-D569 HydrophobicContact CD2-CB 3.96Å; L565-D569 HydrophobicContact CB-CB 4.12Å; L565-D569 HydrophobicContact CD2-CB 3.85Å; L565-D569 HydrophobicContact CG-CB 4.49Å; T566-D569 WeakPolarHBondContact CB-OD2 3.27Å; T566-D569 WeakPolarHBondContact CG2-OD2 3.35Å; T566-D569 PolarHBondContact N-OD2 3.15Å; T566-D569 PolarHBondContact O-N 2.92Å; T566-D569 VanDerWaalsContact O-N 3.09Å; T566-D569 PolarHBondContact OG1-N 2.83Å; T566-D569 PolarHBondContact OG1-OD1 2.7Å; T566-D569 VanDerWaalsContact OG1-OD1 3.12Å; T566-D569 PolarHBondContact OG1-OD2 2.99Å; D569-R571 VanDerWaalsContact C-N 3.35Å; D569-R571 PolarHBondContact O-N 3.21Å; D569-A572 WeakPolarHBondContact O-CA 3.31Å; D569-A572 WeakPolarHBondContact O-CB 3.48Å; D569-A572 PolarHBondContact O-N 3.46Å; D569-A572 VanDerWaalsContact O-N 3.08Å; D569-V573 WeakPolarHBondContact O-CG2 3.37Å; D569-V573 PolarHBondContact O-N 3.35Å
570	F	92.4	Very high	90.9	Very high	94 Å²	94	65.3 Å²	65.3	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-43	173.3	-179.7	-94.1	0	0	0	111.9	L560 T566 A572 V573 I574	L560-F570 HydrophobicContact CD2-CD2 4.16Å; L560-F570 HydrophobicContact CD2-CE2 3.74Å; L560-F570 HydrophobicContact CD2-CZ 4.3Å; T566-F570 PolarHBondContact O-N 3.41Å; F570-A572 VanDerWaalsContact C-N 3.27Å; F570-A572 PolarHBondContact O-N 2.81Å; F570-V573 PolarHBondContact O-N 3.19Å; F570-I574 HydrophobicContact CD1-CG2 4.47Å; F570-I574 HydrophobicContact CE1-CB 4.43Å; F570-I574 HydrophobicContact CE1-CG2 4.29Å; F570-I574 VanDerWaalsContact O-CG2 3.31Å; F570-I574 WeakPolarHBondContact O-CG2 3.41Å; F570-I574 PolarHBondContact O-N 2.73Å
571	R	93.6	Very high	91	Very high	162 Å²	162	67.3 Å²	67.3	61%	0.611	35%	0.352	S	S	*	.	H	α-helix	trans	-59.3	-37.5	172.7	-77.8	170.7	-178.7	-172.8	1.4	111.7	I567 S568 D569 N575	I567-R571 WeakPolarHBondContact O-CB 3.49Å; I567-R571 WeakPolarHBondContact O-CD 3.46Å; I567-R571 WeakPolarHBondContact O-CG 3.48Å; I567-R571 PolarHBondContact O-N 3.41Å; S568-R571 PolarHBondContact O-N 3.23Å; D569-R571 VanDerWaalsContact C-N 3.35Å; D569-R571 PolarHBondContact O-N 3.21Å; R571-N575 VanDerWaalsContact O-CB 3.28Å; R571-N575 WeakPolarHBondContact O-CB 3.23Å; R571-N575 PolarHBondContact O-N 3.33Å; R571-N575 PolarHBondContact O-ND2 3.4Å
572	A	91.6	Very high	91.1	Very high	39 Å²	39	68.1 Å²	68.1	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-45.8	175.8	0	0	0	0	0	112.4	I529 S568 D569 F570 L576	I529-A572 HydrophobicContact CG2-CB 4.36Å; S568-A572 PolarHBondContact O-N 3.5Å; D569-A572 WeakPolarHBondContact O-CA 3.31Å; D569-A572 WeakPolarHBondContact O-CB 3.48Å; D569-A572 PolarHBondContact O-N 3.46Å; D569-A572 VanDerWaalsContact O-N 3.08Å; F570-A572 VanDerWaalsContact C-N 3.27Å; F570-A572 PolarHBondContact O-N 2.81Å; A572-L576 PolarHBondContact O-N 3.05Å
573	V	92.1	Very high	91.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-57.8	175	-175.4	0	0	0	0	110.3	I529 M556 F559 L560 L565 D569 F570 N575 L576 T577	I529-V573 HydrophobicContact CD1-CB 4.48Å; I529-V573 HydrophobicContact CD1-CG2 3.35Å; I529-V573 HydrophobicContact CG1-CG2 4.12Å; M556-V573 WeakPolarHBondContact O-CG1 3.23Å; F559-V573 HydrophobicContact CB-CG1 4.27Å; F559-V573 HydrophobicContact CB-CG2 4.32Å; L560-V573 HydrophobicContact CD2-CB 3.83Å; L560-V573 HydrophobicContact CD2-CG1 3.41Å; L560-V573 VanDerWaalsContact CD2-CG1 3.41Å; L560-V573 HydrophobicContact CG-CG1 3.66Å; L565-V573 HydrophobicContact CD1-CG2 4.02Å; D569-V573 WeakPolarHBondContact O-CG2 3.37Å; D569-V573 PolarHBondContact O-N 3.35Å; F570-V573 PolarHBondContact O-N 3.19Å; V573-N575 VanDerWaalsContact C-N 3.28Å; V573-N575 PolarHBondContact O-N 2.65Å; V573-L576 PolarHBondContact O-N 2.81Å; V573-L576 VanDerWaalsContact O-N 3.07Å; V573-T577 PolarHBondContact O-N 3.09Å; V573-T577 PolarHBondContact O-OG1 2.91Å
574	I	93.5	Very high	91.2	Very high	34 Å²	34	58.6 Å²	58.6	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-31.5	-169.9	-165.6	60.7	0	0	0	112.7	L560 F570 R578	L560-I574 HydrophobicContact CD1-CD1 3.83Å; L560-I574 HydrophobicContact CD2-CB 3.93Å; L560-I574 HydrophobicContact CD2-CD1 3.89Å; L560-I574 HydrophobicContact CD2-CG1 4.46Å; F570-I574 HydrophobicContact CD1-CG2 4.47Å; F570-I574 HydrophobicContact CE1-CB 4.43Å; F570-I574 HydrophobicContact CE1-CG2 4.29Å; F570-I574 VanDerWaalsContact O-CG2 3.31Å; F570-I574 WeakPolarHBondContact O-CG2 3.41Å; F570-I574 PolarHBondContact O-N 2.73Å; I574-R578 WeakPolarHBondContact O-CD 3.42Å; I574-R578 VanDerWaalsContact O-CG 3.26Å; I574-R578 WeakPolarHBondContact O-CG 3.33Å; I574-R578 PolarHBondContact O-N 2.89Å
575	N	93.1	Very high	91.5	Very high	85 Å²	85	60 Å²	60	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-71.4	-39.2	175.1	-71.8	-13.1	0	0	0	111.6	R571 V573 R578 T579	R571-N575 VanDerWaalsContact O-CB 3.28Å; R571-N575 WeakPolarHBondContact O-CB 3.23Å; R571-N575 PolarHBondContact O-N 3.33Å; R571-N575 PolarHBondContact O-ND2 3.4Å; V573-N575 VanDerWaalsContact C-N 3.28Å; V573-N575 PolarHBondContact O-N 2.65Å; N575-R578 PolarHBondContact O-N 2.8Å; N575-R578 PolarHBondContact OD1-NH1 3.26Å; N575-T579 PolarHBondContact O-N 2.77Å; N575-T579 PolarHBondContact O-OG1 3.42Å; N575-T579 VanDerWaalsContact O-OG1 3.1Å
576	L	92.2	Very high	91.6	Very high	10 Å²	10	64.1 Å²	64.1	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-41.3	173.4	-177.4	59.8	0	0	0	112	I529 N532 R533 I536 M556 A572 V573 R578 T579 M580	I529-L576 HydrophobicContact CG2-CD2 3.87Å; I529-L576 WeakPolarHBondContact O-CD2 3.31Å; N532-L576 HydrophobicContact CB-CD2 3.82Å; R533-L576 HydrophobicContact CB-CD1 3.95Å; R533-L576 HydrophobicContact CB-CD2 4.2Å; R533-L576 HydrophobicContact CG-CD1 4.42Å; I536-L576 HydrophobicContact CD1-CD1 4.1Å; M556-L576 HydrophobicContact SD-CD2 3.81Å; A572-L576 PolarHBondContact O-N 3.05Å; V573-L576 PolarHBondContact O-N 2.81Å; V573-L576 VanDerWaalsContact O-N 3.07Å; L576-R578 VanDerWaalsContact C-N 3.31Å; L576-R578 PolarHBondContact O-N 3.07Å; L576-T579 PolarHBondContact O-N 3.34Å; L576-M580 HydrophobicContact CD2-CE 4.4Å; L576-M580 HydrophobicContact CG-CE 4.2Å; L576-M580 WeakPolarHBondContact O-CG 3.33Å; L576-M580 PolarHBondContact O-N 3.4Å
577	T	93	Very high	91.5	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.043	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-41.2	173.9	-56.5	0	0	0	0	111.5	L553 V557 L560 V573 M580 L581	L553-T577 HydrophobicContact CD1-CG2 3.7Å; V557-T577 HydrophobicContact CG2-CG2 4.31Å; L560-T577 HydrophobicContact CD1-CG2 4.34Å; V573-T577 PolarHBondContact O-N 3.09Å; V573-T577 PolarHBondContact O-OG1 2.91Å; T577-M580 PolarHBondContact O-N 3.34Å; T577-L581 HydrophobicContact CG2-CD1 4.44Å; T577-L581 WeakPolarHBondContact O-CG 3.28Å; T577-L581 PolarHBondContact O-N 3.37Å; T577-L581 VanDerWaalsContact O-N 3.09Å
578	R	94.2	Very high	91.4	Very high	129 Å²	129	61.3 Å²	61.3	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-52.2	172.4	-74.4	164.7	-178.8	151.5	-0.4	111.3	I574 N575 L576 M580 L581 D582	I574-R578 WeakPolarHBondContact O-CD 3.42Å; I574-R578 VanDerWaalsContact O-CG 3.26Å; I574-R578 WeakPolarHBondContact O-CG 3.33Å; I574-R578 PolarHBondContact O-N 2.89Å; N575-R578 PolarHBondContact O-N 2.8Å; N575-R578 PolarHBondContact OD1-NH1 3.26Å; L576-R578 VanDerWaalsContact C-N 3.31Å; L576-R578 PolarHBondContact O-N 3.07Å; R578-M580 PolarHBondContact O-N 3.49Å; R578-L581 CarbonylContact O-C 3.44Å; R578-L581 WeakPolarHBondContact O-CA 3.44Å; R578-L581 WeakPolarHBondContact O-CB 3.33Å; R578-L581 PolarHBondContact O-N 2.86Å; R578-D582 PolarHBondContact O-N 3.14Å; R578-D582 VanDerWaalsContact O-OD2 3.09Å
579	T	90.9	Very high	91.3	Very high	63 Å²	63	59.1 Å²	59.1	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-56.9	-35.6	177.5	-54.6	0	0	0	0	112.8	I536 N575 L576 L583	I536-T579 HydrophobicContact CG2-CG2 4.38Å; N575-T579 PolarHBondContact O-N 2.77Å; N575-T579 PolarHBondContact O-OG1 3.42Å; N575-T579 VanDerWaalsContact O-OG1 3.1Å; L576-T579 PolarHBondContact O-N 3.34Å; T579-L583 HydrophobicContact CG2-CD1 4.11Å; T579-L583 WeakPolarHBondContact O-CB 3.39Å; T579-L583 WeakPolarHBondContact O-CD1 3.36Å; T579-L583 WeakPolarHBondContact O-CG 3.46Å; T579-L583 PolarHBondContact O-N 3.29Å
580	M	90.7	Very high	91.1	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-45.4	172.1	-74.7	-178.7	178.9	0	0	112.4	N532 I536 I548 L552 L553 M556 L576 T577 R578 L583 I584	N532-M580 HydrophobicContact CB-CE 3.93Å; I536-M580 HydrophobicContact CD1-CE 3.65Å; I536-M580 HydrophobicContact CD1-CG 3.55Å; I536-M580 HydrophobicContact CD1-SD 4.45Å; I548-M580 HydrophobicContact CG2-CB 3.81Å; I548-M580 HydrophobicContact CG2-CG 3.89Å; I548-M580 HydrophobicContact CG2-SD 4.46Å; L552-M580 HydrophobicContact CB-CE 3.78Å; L552-M580 HydrophobicContact CB-SD 4.12Å; L553-M580 HydrophobicContact CB-SD 4.37Å; L553-M580 HydrophobicContact CD1-CB 4.06Å; L553-M580 HydrophobicContact CD1-SD 4.42Å; M556-M580 HydrophobicContact CB-SD 4.44Å; M556-M580 HydrophobicContact CG-CE 3.6Å; M556-M580 HydrophobicContact CG-SD 3.63Å; M556-M580 HydrophobicContact SD-CE 4.32Å; L576-M580 HydrophobicContact CD2-CE 4.4Å; L576-M580 HydrophobicContact CG-CE 4.2Å; L576-M580 WeakPolarHBondContact O-CG 3.33Å; L576-M580 PolarHBondContact O-N 3.4Å; T577-M580 PolarHBondContact O-N 3.34Å; R578-M580 PolarHBondContact O-N 3.49Å; M580-L583 PolarHBondContact O-N 3.04Å; M580-I584 WeakPolarHBondContact O-CD1 3.43Å; M580-I584 VanDerWaalsContact O-CG1 3.24Å; M580-I584 WeakPolarHBondContact O-CG1 3.22Å; M580-I584 PolarHBondContact O-N 2.76Å
581	L	92.7	Very high	90.7	Very high	88 Å²	88	60.2 Å²	60.2	46%	0.461	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-45.7	176.6	-70.4	165.8	0	0	0	112	L553 T577 R578 L583 I584 D585	L553-L581 HydrophobicContact CD1-CD2 4.34Å; L553-L581 HydrophobicContact CD1-CG 4.16Å; L553-L581 HydrophobicContact CD2-CD2 3.72Å; L553-L581 HydrophobicContact CD2-CG 4.41Å; T577-L581 HydrophobicContact CG2-CD1 4.44Å; T577-L581 WeakPolarHBondContact O-CG 3.28Å; T577-L581 PolarHBondContact O-N 3.37Å; T577-L581 VanDerWaalsContact O-N 3.09Å; R578-L581 CarbonylContact O-C 3.44Å; R578-L581 WeakPolarHBondContact O-CA 3.44Å; R578-L581 WeakPolarHBondContact O-CB 3.33Å; R578-L581 PolarHBondContact O-N 2.86Å; L581-L583 VanDerWaalsContact C-N 3.26Å; L581-L583 PolarHBondContact O-N 3.32Å; L581-I584 PolarHBondContact O-N 3.22Å; L581-I584 VanDerWaalsContact O-N 3.14Å; L581-D585 PolarHBondContact O-N 3.47Å
582	D	91.3	Very high	90.4	Very high	102 Å²	102	56.2 Å²	56.2	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-38.7	177.3	-56.6	-34.9	0	0	0	111	R578 R586	R578-D582 PolarHBondContact O-N 3.14Å; R578-D582 VanDerWaalsContact O-OD2 3.09Å; D582-R586 WeakPolarHBondContact O-CB 3.36Å; D582-R586 PolarHBondContact O-N 3.46Å
583	L	88.8	Confident	90.2	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-71.6	-37.3	175.5	-74.7	169.2	0	0	0	113.1	I536 N541 I548 T579 M580 L581 Q587	I536-L583 HydrophobicContact CG2-CD1 3.42Å; I536-L583 VanDerWaalsContact CG2-CD1 3.42Å; N541-L583 WeakPolarHBondContact OD1-CD2 3.42Å; I548-L583 HydrophobicContact CD1-CB 4.39Å; T579-L583 HydrophobicContact CG2-CD1 4.11Å; T579-L583 WeakPolarHBondContact O-CB 3.39Å; T579-L583 WeakPolarHBondContact O-CD1 3.36Å; T579-L583 WeakPolarHBondContact O-CG 3.46Å; T579-L583 PolarHBondContact O-N 3.29Å; M580-L583 PolarHBondContact O-N 3.04Å; L581-L583 VanDerWaalsContact C-N 3.26Å; L581-L583 PolarHBondContact O-N 3.32Å; L583-Q587 WeakPolarHBondContact O-CB 3.44Å; L583-Q587 WeakPolarHBondContact O-CG 3.36Å; L583-Q587 PolarHBondContact O-N 3.2Å
584	I	90.3	Very high	89.5	Confident	30 Å²	30	64.9 Å²	64.9	15%	0.154	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-48.4	175.3	-70.3	157.8	0	0	0	110	I548 A549 L553 M580 L581 R588	I548-I584 HydrophobicContact CB-CD1 4.27Å; I548-I584 HydrophobicContact CB-CG1 4.03Å; I548-I584 HydrophobicContact CG2-CD1 3.88Å; I548-I584 HydrophobicContact CG2-CG1 3.94Å; A549-I584 HydrophobicContact CB-CD1 3.74Å; A549-I584 HydrophobicContact CB-CG1 4.23Å; L553-I584 HydrophobicContact CD2-CD1 3.95Å; M580-I584 WeakPolarHBondContact O-CD1 3.43Å; M580-I584 VanDerWaalsContact O-CG1 3.24Å; M580-I584 WeakPolarHBondContact O-CG1 3.22Å; M580-I584 PolarHBondContact O-N 2.76Å; L581-I584 PolarHBondContact O-N 3.22Å; L581-I584 VanDerWaalsContact O-N 3.14Å; I584-R588 VanDerWaalsContact O-CB 3.22Å; I584-R588 WeakPolarHBondContact O-CB 3.44Å; I584-R588 PolarHBondContact O-N 3.2Å
585	D	91	Very high	88.6	Confident	99 Å²	99	68.2 Å²	68.2	53%	0.529	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-56.3	173.2	171.5	36.7	0	0	0	110.6	L581 Q587 R588 S589	L581-D585 PolarHBondContact O-N 3.47Å; D585-Q587 PolarHBondContact O-N 3.36Å; D585-Q587 VanDerWaalsContact O-N 3.1Å; D585-R588 PolarHBondContact O-N 3.05Å; D585-R588 VanDerWaalsContact O-N 3.13Å; D585-S589 WeakPolarHBondContact O-CB 3.22Å; D585-S589 PolarHBondContact O-N 3.39Å; D585-S589 PolarHBondContact O-OG 3.15Å; D585-S589 WeakPolarHBondContact OD1-CB 3.2Å; D585-S589 PolarHBondContact OD1-OG 3.27Å
586	R	88.7	Confident	87.5	Confident	115 Å²	115	69.2 Å²	69.2	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-55.3	-37.4	-175.5	-161.3	-158.4	71.8	66.2	11.9	112.8	N541 D582 V590	N541-R586 VanDerWaalsContact OD1-CZ 3.29Å; N541-R586 PolarHBondContact OD1-NE 3.03Å; N541-R586 PolarHBondContact OD1-NH2 2.97Å; D582-R586 WeakPolarHBondContact O-CB 3.36Å; D582-R586 PolarHBondContact O-N 3.46Å; R586-V590 VanDerWaalsContact O-CG2 3.25Å; R586-V590 WeakPolarHBondContact O-CG2 3.48Å
587	Q	88.6	Confident	85.8	Confident	30 Å²	30	71.6 Å²	71.6	14%	0.14	37%	0.371	C	S	.	.	H	α-helix	trans	-74	-54.3	174	-71.2	-172.1	27.5	0	0	112.4	I543 Y545 L583 D585 S589 V590 E591	I543-Q587 PolarHBondContact O-NE2 3.34Å; I543-Q587 PolarHBondContact O-OE1 3.4Å; Y545-Q587 HydrophobicContact CD1-CB 4.06Å; Y545-Q587 HydrophobicContact CG-CB 4.47Å; L583-Q587 WeakPolarHBondContact O-CB 3.44Å; L583-Q587 WeakPolarHBondContact O-CG 3.36Å; L583-Q587 PolarHBondContact O-N 3.2Å; D585-Q587 PolarHBondContact O-N 3.36Å; D585-Q587 VanDerWaalsContact O-N 3.1Å; Q587-S589 VanDerWaalsContact C-N 3.35Å; Q587-S589 PolarHBondContact O-N 3.27Å; Q587-V590 PolarHBondContact O-N 3.04Å; Q587-E591 PolarHBondContact O-N 3.25Å
588	R	88.4	Confident	83.8	Confident	88 Å²	88	76.6 Å²	76.6	33%	0.332	41%	0.405	S	S	.	.	H	α-helix	trans	-64.9	-38.5	-174.1	-176.5	59.2	177.7	167.8	3.8	112	Y545 I584 D585 V590 E591 L592	Y545-R588 PolarHBondContact OH-NH1 3.42Å; I584-R588 VanDerWaalsContact O-CB 3.22Å; I584-R588 WeakPolarHBondContact O-CB 3.44Å; I584-R588 PolarHBondContact O-N 3.2Å; D585-R588 PolarHBondContact O-N 3.05Å; D585-R588 VanDerWaalsContact O-N 3.13Å; R588-V590 VanDerWaalsContact C-N 3.28Å; R588-V590 PolarHBondContact O-N 3.18Å; R588-E591 IonicContact CZ-OE1 3.97Å; R588-E591 IonicContact CZ-OE2 3.84Å; R588-E591 IonicContact NH1-OE1 2.75Å; R588-E591 PolarHBondContact NH1-OE1 3.33Å; R588-E591 IonicContact NH1-OE2 2.75Å; R588-E591 PolarHBondContact NH1-OE2 3.12Å; R588-E591 PolarHBondContact O-N 2.65Å; R588-L592 HydrophobicContact CG-CD1 4.03Å; R588-L592 HydrophobicContact CG-CG 4.43Å; R588-L592 WeakPolarHBondContact O-CB 3.39Å; R588-L592 VanDerWaalsContact O-CG 3.31Å; R588-L592 WeakPolarHBondContact O-CG 3.49Å; R588-L592 PolarHBondContact O-N 2.87Å
589	S	89.3	Confident	81.6	Confident	33 Å²	33	79 Å²	79	23%	0.231	42%	0.42	C	S	.	.	H	α-helix	trans	-66.1	-26	174.2	-77.1	0	0	0	0	113.1	D585 Q587 R593	D585-S589 WeakPolarHBondContact O-CB 3.22Å; D585-S589 PolarHBondContact O-N 3.39Å; D585-S589 PolarHBondContact O-OG 3.15Å; D585-S589 WeakPolarHBondContact OD1-CB 3.2Å; D585-S589 PolarHBondContact OD1-OG 3.27Å; Q587-S589 VanDerWaalsContact C-N 3.35Å; Q587-S589 PolarHBondContact O-N 3.27Å; S589-R593 VanDerWaalsContact O-CG 3.31Å; S589-R593 WeakPolarHBondContact O-CG 3.38Å; S589-R593 PolarHBondContact O-N 3.2Å; S589-R593 PolarHBondContact O-NE 3.27Å; S589-R593 PolarHBondContact O-NH2 2.89Å
590	V	86.2	Confident	79.4	Confident	73 Å²	73	81 Å²	81	44%	0.442	44%	0.436	S	S	.	.	H	α-helix	trans	-75.2	-43.8	170.2	167.9	0	0	0	0	111.1	R586 Q587 R588 L592 R593 S594	R586-V590 VanDerWaalsContact O-CG2 3.25Å; R586-V590 WeakPolarHBondContact O-CG2 3.48Å; Q587-V590 PolarHBondContact O-N 3.04Å; R588-V590 VanDerWaalsContact C-N 3.28Å; R588-V590 PolarHBondContact O-N 3.18Å; V590-L592 PolarHBondContact O-N 3.46Å; V590-R593 PolarHBondContact O-N 3.4Å; V590-R593 VanDerWaalsContact O-N 3.17Å; V590-S594 PolarHBondContact O-N 3.28Å; V590-S594 VanDerWaalsContact O-N 3.07Å
591	E	85.3	Confident	77.1	Confident	56 Å²	56	88.5 Å²	88.5	26%	0.262	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-43.6	177.2	-164.1	-153.5	138.9	0	0	112.3	Y545 Q587 R588 R593 S594 Q595	Y545-E591 WeakPolarHBondContact CE1-OE2 3.5Å; Y545-E591 VanDerWaalsContact CZ-OE2 3.24Å; Y545-E591 PolarHBondContact OH-OE2 2.69Å; Q587-E591 PolarHBondContact O-N 3.25Å; R588-E591 IonicContact CZ-OE1 3.97Å; R588-E591 IonicContact CZ-OE2 3.84Å; R588-E591 IonicContact NH1-OE1 2.75Å; R588-E591 PolarHBondContact NH1-OE1 3.33Å; R588-E591 IonicContact NH1-OE2 2.75Å; R588-E591 PolarHBondContact NH1-OE2 3.12Å; R588-E591 PolarHBondContact O-N 2.65Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.15Å; E591-S594 PolarHBondContact O-N 3.43Å; E591-S594 PolarHBondContact O-OG 2.81Å; E591-Q595 WeakPolarHBondContact O-CG 3.35Å; E591-Q595 PolarHBondContact O-N 3.47Å; E591-Q595 PolarHBondContact OE1-NE2 2.84Å
592	L	87.4	Confident	74.6	Confident	78 Å²	78	88 Å²	88	41%	0.408	50%	0.498	S	S	.	.	H	α-helix	trans	-66.3	-27.9	177.1	-69.8	171	0	0	0	112.7	R588 V590 T596	R588-L592 HydrophobicContact CG-CD1 4.03Å; R588-L592 HydrophobicContact CG-CG 4.43Å; R588-L592 WeakPolarHBondContact O-CB 3.39Å; R588-L592 VanDerWaalsContact O-CG 3.31Å; R588-L592 WeakPolarHBondContact O-CG 3.49Å; R588-L592 PolarHBondContact O-N 2.87Å; V590-L592 PolarHBondContact O-N 3.46Å; L592-T596 PolarHBondContact O-OG1 2.79Å
593	R	85.9	Confident	72.1	Confident	152 Å²	152	86.8 Å²	86.8	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-79.1	-31.1	175.5	-78.5	-175.8	-69.1	-102.5	0.1	113.5	S589 V590 E591 T596 G597	S589-R593 VanDerWaalsContact O-CG 3.31Å; S589-R593 WeakPolarHBondContact O-CG 3.38Å; S589-R593 PolarHBondContact O-N 3.2Å; S589-R593 PolarHBondContact O-NE 3.27Å; S589-R593 PolarHBondContact O-NH2 2.89Å; V590-R593 PolarHBondContact O-N 3.4Å; V590-R593 VanDerWaalsContact O-N 3.17Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.15Å; R593-T596 PolarHBondContact O-OG1 3.13Å; R593-T596 VanDerWaalsContact O-OG1 3.13Å; R593-G597 PolarHBondContact O-N 3.08Å
594	S	78.6	Confident	69.6	Low	69 Å²	69	91.7 Å²	91.7	48%	0.483	55%	0.545	S	S	.	.	H	α-helix	trans	-72.4	-35.8	173.8	60.1	0	0	0	0	111.7	V590 E591 T596 G597	V590-S594 PolarHBondContact O-N 3.28Å; V590-S594 VanDerWaalsContact O-N 3.07Å; E591-S594 PolarHBondContact O-N 3.43Å; E591-S594 PolarHBondContact O-OG 2.81Å; S594-T596 VanDerWaalsContact C-N 3.29Å; S594-T596 PolarHBondContact O-N 3.47Å; S594-G597 PolarHBondContact O-N 3.18Å
595	Q	74.9	Confident	67	Low	104 Å²	104	95.9 Å²	95.9	49%	0.486	58%	0.576	S	S	.	*	H	α-helix	trans	-64.9	-26.8	177.5	-72	172.3	15.4	0	0	114.1	E591	E591-Q595 WeakPolarHBondContact O-CG 3.35Å; E591-Q595 PolarHBondContact O-N 3.47Å; E591-Q595 PolarHBondContact OE1-NE2 2.84Å
596	T	69.2	Low	64.6	Low	107 Å²	107	96.2 Å²	96.2	66%	0.656	59%	0.586	S	S	*	*	H	α-helix	trans	-87.1	-29.2	175	51.3	0	0	0	0	113.4	L592 R593 S594	L592-T596 PolarHBondContact O-OG1 2.79Å; R593-T596 PolarHBondContact O-OG1 3.13Å; R593-T596 VanDerWaalsContact O-OG1 3.13Å; S594-T596 VanDerWaalsContact C-N 3.29Å; S594-T596 PolarHBondContact O-N 3.47Å
597	G	57.2	Low	62	Low	60 Å²	60	97.2 Å²	97.2	62%	0.619	60%	0.6	S	S	*	*	H	α-helix	trans	-72.4	-28.2	-177.5	0	0	0	0	0	115.6	R593 S594 K599	R593-G597 PolarHBondContact O-N 3.08Å; S594-G597 PolarHBondContact O-N 3.18Å; G597-K599 VanDerWaalsContact C-N 3.34Å; G597-K599 PolarHBondContact O-N 2.98Å
598	S	51.4	Low	59.7	Low	111 Å²	111	104.1 Å²	104.1	78%	0.776	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	23.9	-171.8	-57.5	0	0	0	0	115.4
599	K	46.9	Very low	57.1	Low	181 Å²	181	104.9 Å²	104.9	79%	0.787	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	10.5	-172.9	-78.4	-169.2	174.6	-177.3	0	117.2	G597	G597-K599 VanDerWaalsContact C-N 3.34Å; G597-K599 PolarHBondContact O-N 2.98Å
600	S	44.2	Very low	54.6	Low	105 Å²	105	108.8 Å²	108.8	73%	0.734	68%	0.681	S	S	*	*			trans	-165.1	92.8	172	56.9	0	0	0	0	115.6
601	V	43.1	Very low	52.2	Low	157 Å²	157	110.3 Å²	110.3	95%	0.952	70%	0.695	S	S	*	*			trans	-146.2	120.1	146.7	-175.6	0	0	0	0	108.5
602	G	40.6	Very low	49.8	Very low	78 Å²	78	117.8 Å²	117.8	80%	0.804	73%	0.727	S	S	*	*			trans	-174.2	85.4	179.7	0	0	0	0	0	111.2
603	G	37.5	Very low	47.2	Very low	76 Å²	76	118.1 Å²	118.1	78%	0.784	75%	0.748	S	S	*	*			trans	77.7	152.2	-166.8	0	0	0	0	0	112.6
604	S	36.4	Very low	44.9	Very low	124 Å²	124	115.6 Å²	115.6	87%	0.867	76%	0.76	S	S	*	*			cis	-148.3	172	-10.1	-161.1	0	0	0	0	110.4
605	C	37.1	Very low	43.1	Very low	118 Å²	118	117.6 Å²	117.6	80%	0.797	77%	0.772	S	S	*	*			trans	-76.3	146.5	-167.7	-50.1	0	0	0	0	115
606	S	40.1	Very low	41.4	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	79%	0.792	S	S	*	*				-176.7	116.7	116.5	61.1	0	0	0	0	113.5
607	D	34.3	Very low	39.8	Very low	136 Å²	136	126.3 Å²	126.3	73%	0.727	80%	0.799	S	S	*	*			trans	35.6	111.2	134.8	-47.4	-14.2	0	0	0	121
608	M	40	Very low	39.1	Very low	175 Å²	175	131.1 Å²	131.1	86%	0.862	81%	0.81	S	S	*	*				175.2	161	94	-90.1	-55.7	169.9	0	0	112.7
609	S	34.1	Very low	38.3	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	81%	0.808	S	S	*	*			trans	-101.2	142.2	-172.3	58.3	0	0	0	0	114.9
610	S	37.3	Very low	38	Very low	116 Å²	116	130 Å²	130	81%	0.811	81%	0.81	S	S	*	*				179.6	135.9	118.7	42.2	0	0	0	0	115.9
611	S	34.5	Very low	37.7	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	81%	0.811	S	S	*	*			trans	19.4	127.3	148.4	-59	0	0	0	0	124.2
612	F	35	Very low	37.3	Very low	213 Å²	213	129.2 Å²	129.2	93%	0.934	80%	0.803	S	S	*	*			trans	48.5	110.6	133.7	-73.2	-89.1	0	0	0	120.8
613	G	33.4	Very low	37.2	Very low	84 Å²	84	134.3 Å²	134.3	87%	0.866	81%	0.808	S	S	*	*			trans	-174.1	121.6	159.2	0	0	0	0	0	113.3
614	A	37.3	Very low	37.2	Very low	100 Å²	100	140 Å²	140	83%	0.826	81%	0.814	S	S	*	*			trans	-139.7	164.2	173.4	0	0	0	0	0	109.8
615	P	41	Very low	37.3	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	82%	0.815	S	S	*	*			cis	-119.1	-177.5	-15.3	38.9	-25.4	0	0	0	112
616	R	39.8	Very low	37.1	Very low	241 Å²	241	145.2 Å²	145.2	91%	0.909	81%	0.814	S	S	*	*			trans	-133.1	117.4	159.4	-81.1	-169.7	173.6	-174.4	-1.3	111.4
617	N	34	Very low	36.7	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	82%	0.816	S	S	*	*			trans	-81.6	144.4	164.8	-66	-32.8	0	0	0	109.6
618	L	42.2	Very low	36.8	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	82%	0.82	S	S	*	*			trans	-133.9	142.8	147	-86.8	104	0	0	0	109.1
619	P	35.5	Very low	36.2	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	82%	0.816	S	S	*	*			trans	-94.2	166.4	-174.7	38.2	-36.1	0	0	0	112.4
620	L	40.4	Very low	36	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	81%	0.812	S	S	*	*			trans	-158.8	131.7	143.1	-133.9	77.8	0	0	0	112.5
621	I	39	Very low	35.4	Very low	150 Å²	150	147.7 Å²	147.7	77%	0.769	81%	0.81	S	S	*	*			trans	47	113.9	157.9	-60.9	162.2	0	0	0	118.4
622	A	33.4	Very low	35.2	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-97	143.3	163.7	0	0	0	0	0	111.4
623	M	39.1	Very low	35	Very low	184 Å²	184	147.6 Å²	147.6	91%	0.906	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-96.2	135.7	157.2	-79.2	-167.3	-72.4	0	0	109.7
624	Q	36.3	Very low	34.7	Very low	195 Å²	195	154.6 Å²	154.6	91%	0.911	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70	145.2	-175.4	-65.6	159.8	-52.1	0	0	111.9
625	R	38.3	Very low	34.6	Very low	232 Å²	232	155.5 Å²	155.5	88%	0.875	81%	0.806	S	S	*	*			trans	-112.5	138.6	155.8	-76.3	-175.5	176.7	161.9	2.7	108.2
626	P	34.2	Very low	33.9	Very low	120 Å²	120	156.7 Å²	156.7	78%	0.779	81%	0.807	S	S	*	*			trans	-71.1	130.7	175.6	29.3	-33.4	0	0	0	110.4
627	T	31	Very low	33.6	Very low	127 Å²	127	154 Å²	154	78%	0.779	81%	0.807	S	S	*	*			trans	-78.3	138.6	158.6	41.2	0	0	0	0	109.2
628	I	36.4	Very low	33.5	Very low	160 Å²	160	154.7 Å²	154.7	82%	0.821	81%	0.805	S	S	*	*			trans	-131.2	133.2	164.3	-64.8	-180	0	0	0	105.8
629	D	28.1	Very low	32.9	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	81%	0.805	S	S	*	*			trans	-87.7	-176.7	-165.3	-64.7	-68.4	0	0	0	114.8
630	S	28.9	Very low	32.5	Very low	93 Å²	93	153.7 Å²	153.7	65%	0.65	80%	0.802	S	S	*	*			trans	73.7	102.6	162.6	-84.9	0	0	0	0	119.9
631	E	26.5	Very low	31.9	Very low	167 Å²	167	155 Å²	155	78%	0.78	80%	0.801	S	S	*	*				74.7	161.6	119.7	-67.2	166.7	132	0	0	120.7
632	L	30.2	Very low	31.4	Very low	165 Å²	165	156.3 Å²	156.3	86%	0.864	81%	0.809	S	S	*	*			trans	72	134.9	175.3	-73.6	136.5	0	0	0	118.5
633	L	30.5	Very low	31.1	Very low	151 Å²	151	157.3 Å²	157.3	79%	0.791	81%	0.81	S	S	*	*			trans	75	64.9	167.1	-50.6	-176.7	0	0	0	118.6	V635	L633-V635 HydrophobicContact CD2-CG2 4.43Å
634	Y	26.7	Very low	30.8	Very low	231 Å²	231	159.7 Å²	159.7	91%	0.906	81%	0.809	S	S	*	*			trans	-67	129.9	131.5	-106.6	-102.1	0	0	0	108.7
635	V	34	Very low	30.4	Very low	118 Å²	118	155.7 Å²	155.7	72%	0.715	80%	0.802	S	S	*	*			trans	-144	133.6	165	179.7	0	0	0	0	107.7	L633	L633-V635 HydrophobicContact CD2-CG2 4.43Å
636	D	28.2	Very low	30	Very low	137 Å²	137	149 Å²	149	73%	0.733	79%	0.791	S	S	*	*			trans	-73.7	146.4	-166.8	-54.3	-74.7	0	0	0	115.1
637	M	33.6	Very low	29.8	Very low	183 Å²	183	150.4 Å²	150.4	90%	0.901	79%	0.791	S	S	*	*			trans	-143.3	82.7	160.4	-83	-68.7	-69.1	0	0	108.1	D639	M637-D639 PolarHBondContact O-N 3.11Å
638	E	31	Very low	29.9	Very low	168 Å²	168	151.4 Å²	151.4	79%	0.785	79%	0.792	S	S	*	*			trans	-70.2	122.1	173.4	-71.7	-161.5	140.5	0	0	111.4
639	D	29.7	Very low	29.4	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	79%	0.791	S	S	*	*			trans	-111.9	65.8	166.9	-140.8	-22	0	0	0	109.3	M637 K641	M637-D639 PolarHBondContact O-N 3.11Å; D639-K641 PolarHBondContact O-N 3.15Å
640	S	27.5	Very low	29.5	Very low	95 Å²	95	158.9 Å²	158.9	66%	0.664	80%	0.8	S	S	*	*			trans	-81.1	67.3	-163.6	45.4	0	0	0	0	114.2
641	K	28.1	Very low	29.4	Very low	183 Å²	183	165.5 Å²	165.5	80%	0.796	81%	0.811	S	S	*	*			trans	-141.8	98.4	171.2	-70.6	-178.1	-176.2	163.7	0	114.3	D639	D639-K641 PolarHBondContact O-N 3.15Å
642	L	27.1	Very low	29.7	Very low	178 Å²	178	163.3 Å²	163.3	93%	0.932	82%	0.815	S	S	*	*			trans	173.9	98.5	132.6	-97.5	161.6	0	0	0	112.8
643	S	27.8	Very low	29.6	Very low	117 Å²	117	161.2 Å²	161.2	82%	0.818	81%	0.814	S	S	*	*			trans	177	153.8	146.1	54.5	0	0	0	0	107.7
644	R	31.8	Very low	29.6	Very low	234 Å²	234	157.8 Å²	157.8	88%	0.883	81%	0.814	S	S	*	*			cis	-132.7	157.2	13.8	-54	158.8	97	155.6	3.8	110.2
645	S	29	Very low	29.6	Very low	110 Å²	110	152 Å²	152	77%	0.769	81%	0.808	S	S	*	*			trans	-70.2	170.8	151.7	60.6	0	0	0	0	109.3
646	S	29.1	Very low	29.4	Very low	91 Å²	91	155.3 Å²	155.3	64%	0.636	82%	0.815	S	S	*	*			cis	-165.5	-178.4	15.8	31.9	0	0	0	0	108.2
647	L	31.5	Very low	29.4	Very low	151 Å²	151	155 Å²	155	79%	0.791	82%	0.818	S	S	*	*			trans	75.9	142.5	168.1	-48.9	164.6	0	0	0	114.3
648	D	31.6	Very low	29.2	Very low	147 Å²	147	152.8 Å²	152.8	79%	0.786	82%	0.815	S	S	*	*			cis	-148.8	166.4	-9	-135.2	-28.3	0	0	0	113.2
649	Y	27.2	Very low	29	Very low	206 Å²	206	148.7 Å²	148.7	81%	0.808	82%	0.818	S	S	*	*			trans	-117.6	106.5	-170.3	-151.6	-88.1	0	0	0	112.2
650	R	29.8	Very low	29.1	Very low	253 Å²	253	147.8 Å²	147.8	96%	0.955	82%	0.818	S	S	*	*			trans	-147.2	132.5	163.4	-109.9	175.6	-162.8	-145.8	1.5	113.3
651	R	27.3	Very low	29.4	Very low	232 Å²	232	147.1 Å²	147.1	88%	0.875	81%	0.814	S	S	*	*			trans	-78.1	147.1	166.3	-65.8	175	172.2	177.5	-3.9	109.5
652	S	31.9	Very low	29.6	Very low	122 Å²	122	147.3 Å²	147.3	85%	0.853	81%	0.809	S	S	*	*			trans	-149.4	157.1	138.4	-154	0	0	0	0	110
653	S	28.7	Very low	29.9	Very low	121 Å²	121	149 Å²	149	85%	0.846	80%	0.803	S	S	*	*			trans	-88.9	138.3	-175.2	49.7	0	0	0	0	112.3
654	G	30.4	Very low	30.2	Very low	78 Å²	78	148.6 Å²	148.6	80%	0.804	80%	0.801	S	S	*	*			trans	-161.4	125	168.9	0	0	0	0	0	110
655	S	26.2	Very low	30.2	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	80%	0.796	S	S	*	*			trans	-86.2	135.3	172.2	163.9	0	0	0	0	109.2
656	E	29.9	Very low	30.7	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	77%	0.773	S	S	*	*				-166.2	165.3	124.7	-110.6	165.8	-150.4	0	0	113
657	V	28	Very low	31	Very low	131 Å²	131	143.5 Å²	143.5	79%	0.794	77%	0.765	S	S	*	*			trans	-107.5	124.3	-167.6	176	0	0	0	0	110.5
658	T	30.1	Very low	31.3	Very low	137 Å²	137	141.9 Å²	141.9	84%	0.84	76%	0.756	S	S	*	*			trans	-163.5	139.2	152.3	12.1	0	0	0	0	110.6
659	G	27.3	Very low	31.8	Very low	82 Å²	82	136.8 Å²	136.8	85%	0.845	73%	0.729	S	S	*	*			trans	-81.1	118.2	-177.8	0	0	0	0	0	113.1
660	T	30.9	Very low	32.4	Very low	138 Å²	138	130.2 Å²	130.2	85%	0.847	71%	0.707	S	S	*	*			trans	-124.4	145.9	162.6	55	0	0	0	0	109.9
661	S	32.9	Very low	32.7	Very low	81 Å²	81	123.2 Å²	123.2	57%	0.566	69%	0.685	S	S	*	*			trans	-81	149.1	-156.5	60.3	0	0	0	0	114.9	W663	S661-W663 PolarHBondContact O-N 2.97Å
662	R	32.3	Very low	33.1	Very low	187 Å²	187	120.4 Å²	120.4	71%	0.706	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-62	7.2	177.3	-73.8	-176.8	175.3	-173.1	-1.4	114.6	E382 S664 R665	E382-R662 IonicContact OE1-CZ 2.7Å; E382-R662 IonicContact OE1-NH1 2.7Å; E382-R662 PolarHBondContact OE1-NH1 3.29Å; E382-R662 IonicContact OE1-NH2 2.74Å; E382-R662 PolarHBondContact OE1-NH2 2.98Å; R662-S664 VanDerWaalsContact C-N 3.34Å; R662-S664 PolarHBondContact O-N 2.9Å; R662-S664 VanDerWaalsContact O-N 3.11Å; R662-R665 PolarHBondContact O-N 2.92Å
663	W	34.9	Very low	33.4	Very low	213 Å²	213	115.4 Å²	115.4	81%	0.807	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-53.8	-35.9	-164.6	-81	13.1	0	0	0	115.8	S661 R665 N666	S661-W663 PolarHBondContact O-N 2.97Å; W663-R665 VanDerWaalsContact C-N 3.32Å; W663-R665 PolarHBondContact O-N 3.2Å; W663-N666 PolarHBondContact O-N 3.43Å
664	S	32.8	Very low	34	Very low	109 Å²	109	113.8 Å²	113.8	76%	0.762	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-61.4	-34.9	-175.8	-175.1	0	0	0	0	113.9	R662 N666	R662-S664 VanDerWaalsContact C-N 3.34Å; R662-S664 PolarHBondContact O-N 2.9Å; R662-S664 VanDerWaalsContact O-N 3.11Å; S664-N666 PolarHBondContact O-N 3.1Å
665	R	32.9	Very low	34.4	Very low	210 Å²	210	113.1 Å²	113.1	79%	0.792	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-73.2	-24.8	-173.6	-64.6	-174.2	-175.1	173.3	3.3	114	R662 W663 S667	R662-R665 PolarHBondContact O-N 2.92Å; W663-R665 VanDerWaalsContact C-N 3.32Å; W663-R665 PolarHBondContact O-N 3.2Å; R665-S667 VanDerWaalsContact C-N 3.33Å; R665-S667 PolarHBondContact O-N 3.36Å
666	N	39.6	Very low	35.1	Very low	53 Å²	53	110.6 Å²	110.6	28%	0.283	59%	0.587	S	S	.	*	H	α-helix	trans	-76.7	-17	-175.8	-74.5	-0.4	0	0	0	113.6	W663 S664 L668 L669 I670	W663-N666 PolarHBondContact O-N 3.43Å; S664-N666 PolarHBondContact O-N 3.1Å; N666-L668 PolarHBondContact O-N 3.24Å; N666-L669 WeakPolarHBondContact O-CB 3.49Å; N666-L669 PolarHBondContact O-N 2.76Å; N666-I670 WeakPolarHBondContact O-CG1 3.27Å; N666-I670 PolarHBondContact O-N 2.69Å
667	S	34	Very low	35.6	Very low	66 Å²	66	104 Å²	104	46%	0.462	56%	0.555	S	S	.	*	H	α-helix	trans	-55.7	-51.5	179.5	-179.9	0	0	0	0	112.6	R665 L669 I670 Q671	R665-S667 VanDerWaalsContact C-N 3.33Å; R665-S667 PolarHBondContact O-N 3.36Å; S667-L669 VanDerWaalsContact C-N 3.27Å; S667-L669 PolarHBondContact O-N 2.96Å; S667-I670 PolarHBondContact O-N 2.94Å; S667-Q671 WeakPolarHBondContact O-CG 3.49Å; S667-Q671 PolarHBondContact O-N 3.35Å
668	L	38.8	Very low	36.2	Very low	116 Å²	116	105 Å²	105	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-64.7	-28.6	178.9	-76.9	160.7	0	0	0	113.2	N666 R672	N666-L668 PolarHBondContact O-N 3.24Å; L668-R672 WeakPolarHBondContact O-CG 3.21Å; L668-R672 PolarHBondContact O-N 3.07Å
669	L	41.6	Very low	36.5	Very low	40 Å²	40	105.3 Å²	105.3	21%	0.209	54%	0.536	C	S	.	.	H	α-helix	trans	-71.3	-45.1	175.7	-163.9	76.8	0	0	0	110.7	P341 K379 V380 N666 S667 R672 L673	P341-L669 HydrophobicContact CB-CD2 4.09Å; P341-L669 HydrophobicContact CG-CD2 3.74Å; K379-L669 HydrophobicContact CD-CD1 4.12Å; V380-L669 HydrophobicContact CG2-CD2 4.37Å; N666-L669 WeakPolarHBondContact O-CB 3.49Å; N666-L669 PolarHBondContact O-N 2.76Å; S667-L669 VanDerWaalsContact C-N 3.27Å; S667-L669 PolarHBondContact O-N 2.96Å; L669-R672 PolarHBondContact O-N 3.2Å; L669-L673 WeakPolarHBondContact O-CG 3.23Å; L669-L673 PolarHBondContact O-N 3.04Å; L669-L673 VanDerWaalsContact O-N 3.09Å
670	I	41.2	Very low	36.9	Very low	69 Å²	69	104.6 Å²	104.6	35%	0.354	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-42.1	178	-68	167.3	0	0	0	110.8	N666 S667 R672 L673 Q674	N666-I670 WeakPolarHBondContact O-CG1 3.27Å; N666-I670 PolarHBondContact O-N 2.69Å; S667-I670 PolarHBondContact O-N 2.94Å; I670-R672 VanDerWaalsContact C-N 3.35Å; I670-R672 PolarHBondContact O-N 2.92Å; I670-L673 CarbonylContact O-C 3.53Å; I670-L673 PolarHBondContact O-N 3.08Å; I670-L673 VanDerWaalsContact O-N 3.15Å; I670-Q674 WeakPolarHBondContact O-CG 3.49Å; I670-Q674 PolarHBondContact O-N 3.48Å; I670-Q674 PolarHBondContact O-OE1 3.3Å
671	Q	35.8	Very low	36.9	Very low	106 Å²	106	103.9 Å²	103.9	50%	0.495	51%	0.505	S	S	.	.	H	α-helix	trans	-58.3	-42.9	175.3	-74.6	178.3	-25.6	0	0	112.4	S667 Q674 A675	S667-Q671 WeakPolarHBondContact O-CG 3.49Å; S667-Q671 PolarHBondContact O-N 3.35Å; Q671-Q674 PolarHBondContact O-N 3.47Å; Q671-A675 PolarHBondContact O-N 3.18Å
672	R	35.8	Very low	36.9	Very low	172 Å²	172	103.8 Å²	103.8	65%	0.649	51%	0.505	S	S	*	.	H	α-helix	trans	-65.2	-38.3	175.1	-72.1	-178.8	-179.7	179	3.2	112.5	L668 L669 I670 Q674 A675 S676	L668-R672 WeakPolarHBondContact O-CG 3.21Å; L668-R672 PolarHBondContact O-N 3.07Å; L669-R672 PolarHBondContact O-N 3.2Å; I670-R672 VanDerWaalsContact C-N 3.35Å; I670-R672 PolarHBondContact O-N 2.92Å; R672-Q674 PolarHBondContact O-N 3.07Å; R672-A675 PolarHBondContact O-N 2.92Å; R672-S676 PolarHBondContact O-N 3.44Å
673	L	37.1	Very low	36.9	Very low	18 Å²	18	101.7 Å²	101.7	9%	0.094	51%	0.507	C	S	.	.	H	α-helix	trans	-74.2	-8.6	174.4	-66.9	171.8	0	0	0	114.2	K338 F416 L669 I670	K338-L673 VanDerWaalsContact CE-O 3.24Å; K338-L673 WeakPolarHBondContact CE-O 3.26Å; K338-L673 HydrophobicContact CG-CB 4.32Å; K338-L673 HydrophobicContact CG-CD1 4.34Å; F416-L673 HydrophobicContact CE2-CD2 4.5Å; F416-L673 HydrophobicContact CZ-CD2 4.17Å; L669-L673 WeakPolarHBondContact O-CG 3.23Å; L669-L673 PolarHBondContact O-N 3.04Å; L669-L673 VanDerWaalsContact O-N 3.09Å; I670-L673 CarbonylContact O-C 3.53Å; I670-L673 PolarHBondContact O-N 3.08Å; I670-L673 VanDerWaalsContact O-N 3.15Å
674	Q	40.5	Very low	36.7	Very low	87 Å²	87	98.3 Å²	98.3	41%	0.407	50%	0.504	S	S	.	.	H	α-helix	trans	-89.4	-44.8	166.8	-72.7	167.3	-56.5	0	0	110.4	I670 Q671 R672 S676 K677 H678	I670-Q674 WeakPolarHBondContact O-CG 3.49Å; I670-Q674 PolarHBondContact O-N 3.48Å; I670-Q674 PolarHBondContact O-OE1 3.3Å; Q671-Q674 PolarHBondContact O-N 3.47Å; R672-Q674 PolarHBondContact O-N 3.07Å; Q674-S676 VanDerWaalsContact C-N 3.35Å; Q674-S676 PolarHBondContact O-N 2.57Å; Q674-K677 PolarHBondContact O-N 3.04Å; Q674-K677 VanDerWaalsContact O-N 3.08Å; Q674-H678 PolarHBondContact O-CD2 3.18Å; Q674-H678 VanDerWaalsContact O-CD2 3.26Å; Q674-H678 PolarHBondContact O-N 3.02Å
675	A	40.7	Very low	36.5	Very low	63 Å²	63	102.2 Å²	102.2	52%	0.521	51%	0.507	S	S	.	.	H	α-helix	trans	-57.6	-40.3	179.9	0	0	0	0	0	113.8	Q671 R672	Q671-A675 PolarHBondContact O-N 3.18Å; R672-A675 PolarHBondContact O-N 2.92Å
676	S	40.5	Very low	36.2	Very low	57 Å²	57	99.9 Å²	99.9	40%	0.399	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.3	176.2	59.9	0	0	0	0	113.7	R672 Q674 R679 S680	R672-S676 PolarHBondContact O-N 3.44Å; Q674-S676 VanDerWaalsContact C-N 3.35Å; Q674-S676 PolarHBondContact O-N 2.57Å; S676-R679 PolarHBondContact O-N 3.05Å; S676-S680 PolarHBondContact O-OG 2.66Å
677	K	39.3	Very low	35.6	Very low	50 Å²	50	104.1 Å²	104.1	22%	0.217	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-76.9	-33.1	-176.5	-104.3	175.8	162.7	-80.7	0	114.2	G334 Q674 R679 S680 E681	G334-K677 WeakPolarHBondContact O-CE 3.49Å; G334-K677 PolarHBondContact O-NZ 3.31Å; Q674-K677 PolarHBondContact O-N 3.04Å; Q674-K677 VanDerWaalsContact O-N 3.08Å; K677-R679 PolarHBondContact O-N 3.36Å; K677-S680 PolarHBondContact O-N 3.09Å; K677-E681 IonicContact NZ-OE1 3.79Å; K677-E681 PolarHBondContact NZ-OE1 3.14Å; K677-E681 PolarHBondContact O-N 3.06Å
678	H	40.4	Very low	35.4	Very low	151 Å²	151	110.8 Å²	110.8	70%	0.699	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-62.6	-13.1	175	-74.5	-66.6	0	0	0	113.9	Q674	Q674-H678 PolarHBondContact O-CD2 3.18Å; Q674-H678 VanDerWaalsContact O-CD2 3.26Å; Q674-H678 PolarHBondContact O-N 3.02Å
679	R	37	Very low	34.8	Very low	144 Å²	144	114.8 Å²	114.8	54%	0.543	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-92.5	-3.6	171.7	-63.8	177.8	171.8	-159.5	-17.7	114.5	E447 S676 K677	E447-R679 IonicContact OE1-CZ 3.44Å; E447-R679 IonicContact OE1-NE 3.28Å; E447-R679 IonicContact OE1-NH1 2.74Å; E447-R679 PolarHBondContact OE1-NH1 3.02Å; E447-R679 IonicContact OE1-NH2 2.69Å; E447-R679 PolarHBondContact OE1-NH2 3.33Å; E447-R679 IonicContact OE2-CZ 3.33Å; E447-R679 IonicContact OE2-NH1 3.86Å; E447-R679 PolarHBondContact OE2-NH1 3.43Å; S676-R679 PolarHBondContact O-N 3.05Å; K677-R679 PolarHBondContact O-N 3.36Å
680	S	35.3	Very low	34.1	Very low	66 Å²	66	123.7 Å²	123.7	46%	0.462	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.9	-23.3	-171.4	-62	0	0	0	0	114.8	S676 K677	S676-S680 PolarHBondContact O-OG 2.66Å; K677-S680 PolarHBondContact O-N 3.09Å
681	E	31.9	Very low	33.5	Very low	123 Å²	123	127.3 Å²	127.3	58%	0.575	63%	0.625	S	S	*	*	S	Bend	trans	-95.3	-1.7	-165.9	-69.6	171.7	178.9	0	0	114.3	K677	K677-E681 IonicContact NZ-OE1 3.79Å; K677-E681 PolarHBondContact NZ-OE1 3.14Å; K677-E681 PolarHBondContact O-N 3.06Å
682	S	32.6	Very low	33	Very low	79 Å²	79	127.4 Å²	127.4	55%	0.552	64%	0.638	S	S	*	*	S	Bend	trans	-90.9	-1.8	-174.9	52.4	0	0	0	0	116.2
683	L	31.6	Very low	32.7	Very low	144 Å²	144	127.6 Å²	127.6	75%	0.754	65%	0.65	S	S	*	*	S	Bend	trans	-120.5	12.6	-165.3	-67.8	176.1	0	0	0	116.2
684	L	31.2	Very low	32.2	Very low	142 Å²	142	130 Å²	130	74%	0.743	68%	0.679	S	S	*	*	S	Bend	trans	-115.1	-2.5	175.9	-70.8	175.8	0	0	0	115
685	F	28.1	Very low	31.5	Very low	191 Å²	191	133.3 Å²	133.3	84%	0.838	70%	0.699	S	S	*	*	S	Bend	trans	-143.6	84.9	177.3	-71.2	-80.9	0	0	0	111.8
686	N	26.9	Very low	30.9	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	71%	0.713	S	S	*	*			trans	-164	51.4	161.9	-109.8	-21.3	0	0	0	115.1
687	T	27.2	Very low	30.4	Very low	143 Å²	143	147.5 Å²	147.5	88%	0.877	74%	0.738	S	S	*	*			trans	-136.9	63.6	170	53.1	0	0	0	0	112.5
688	K	29.8	Very low	29.8	Very low	206 Å²	206	153.8 Å²	153.8	90%	0.896	77%	0.765	S	S	*	*	S	Bend	trans	-129.6	122.5	156.2	-79.9	-167.9	174.3	-178.1	0	109	R690	K688-R690 PolarHBondContact O-N 3.42Å
689	H	27	Very low	29.3	Very low	199 Å²	199	157.8 Å²	157.8	92%	0.921	78%	0.775	S	S	*	*			trans	-57.9	133.4	-173.3	-76.4	-97.7	0	0	0	112.5
690	R	26.1	Very low	28.7	Very low	227 Å²	227	156.5 Å²	156.5	86%	0.857	78%	0.778	S	S	*	*			trans	-142.4	118.2	151	-125.4	-174.7	-178.5	-165.7	-0.2	110.8	K688	K688-R690 PolarHBondContact O-N 3.42Å
691	N	28.4	Very low	28.5	Very low	145 Å²	145	161.7 Å²	161.7	78%	0.775	80%	0.796	S	S	*	*			trans	64.2	132.7	158.9	-57.7	6.6	0	0	0	118.7
692	S	25	Very low	28.4	Very low	108 Å²	108	161 Å²	161	76%	0.755	80%	0.804	S	S	*	*			trans	-72.9	-175.2	157.1	51.5	0	0	0	0	111.3
693	I	30.2	Very low	28.3	Very low	176 Å²	176	161.6 Å²	161.6	90%	0.903	81%	0.814	S	S	*	*			trans	84.1	105	-167	-52.5	163.4	0	0	0	110.5
694	G	26.6	Very low	28.2	Very low	69 Å²	69	159.8 Å²	159.8	71%	0.711	81%	0.813	S	S	*	*			cis	173.1	157.3	-5.2	0	0	0	0	0	110.9
695	D	26.6	Very low	28.2	Very low	156 Å²	156	160.4 Å²	160.4	83%	0.834	82%	0.817	S	S	*	*			trans	-152	156.1	174.3	-136.8	-30.8	0	0	0	112.8
696	H	28.1	Very low	28.7	Very low	172 Å²	172	156 Å²	156	80%	0.796	81%	0.808	S	S	*	*			trans	-65.1	137.2	-159.3	-69	-98.5	0	0	0	116.6
697	R	29	Very low	29	Very low	246 Å²	246	155 Å²	155	93%	0.928	80%	0.803	S	S	*	*			trans	-141.5	149.1	137.8	-72.2	-159.6	177.7	-175.7	0.3	112
698	F	26.1	Very low	29.3	Very low	182 Å²	182	156.3 Å²	156.3	80%	0.798	80%	0.797	S	S	*	*			trans	-69.3	152.4	-179.5	-70.6	-116.6	0	0	0	112.2
699	W	30	Very low	29.5	Very low	236 Å²	236	152.2 Å²	152.2	89%	0.894	78%	0.784	S	S	*	*				-166.9	176.9	104.7	-99.3	99.2	0	0	0	110.5
700	N	26	Very low	30	Very low	116 Å²	116	152.1 Å²	152.1	62%	0.62	78%	0.777	S	S	*	*			trans	-85.2	179.2	-162.1	-78.1	-15.3	0	0	0	115.6
701	E	31	Very low	30.5	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	77%	0.767	S	S	*	*			trans	77.9	149.7	159.1	-72.8	156.1	-132.7	0	0	118.4
702	S	28.6	Very low	30.9	Very low	108 Å²	108	144 Å²	144	76%	0.755	76%	0.762	S	S	*	*			cis	-174.7	143.9	-34.6	-106.5	0	0	0	0	109
703	A	30.5	Very low	31.6	Very low	92 Å²	92	146.1 Å²	146.1	76%	0.76	76%	0.759	S	S	*	*			trans	57.7	111.5	158.6	0	0	0	0	0	121.9
704	S	30	Very low	31.7	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	75%	0.752	S	S	*	*				90.1	134.6	121.6	74.7	0	0	0	0	124.2
705	N	30.8	Very low	32.2	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	75%	0.748	S	S	*	*			trans	85.2	152.9	143.8	-75.7	-3.3	0	0	0	122.8
706	P	37.9	Very low	32.7	Very low	98 Å²	98	141.9 Å²	141.9	64%	0.636	74%	0.742	S	S	*	*			trans	-139.9	-164.2	-144.8	42.3	-20.9	0	0	0	116.7
707	N	33.3	Very low	33	Very low	140 Å²	140	140 Å²	140	75%	0.749	74%	0.738	S	S	*	*			trans	94.4	151.8	158.3	-64.3	-21	0	0	0	121.3
708	F	35.1	Very low	33.2	Very low	171 Å²	171	132.4 Å²	132.4	75%	0.75	72%	0.722	S	S	*	*			trans	96	98	172.9	-72.8	-94.6	0	0	0	116.3
709	N	34.2	Very low	33.6	Very low	120 Å²	120	133.8 Å²	133.8	64%	0.642	72%	0.722	S	S	*	*				77.7	118.7	65.2	-73.2	-20.2	0	0	0	114.1
710	Y	36.3	Very low	33.9	Very low	196 Å²	196	130.1 Å²	130.1	77%	0.769	72%	0.719	S	S	*	*				-168.3	161.1	96.3	-113.1	-88.4	0	0	0	113.7
711	H	36.9	Very low	34.3	Very low	137 Å²	137	127.7 Å²	127.7	63%	0.634	72%	0.721	S	S	*	*			trans	-61.4	167.8	-167	-69.4	-119.2	0	0	0	117.7	H713	H711-H713 AromaticContact CE1-NE2 3.99Å; H711-H713 AromaticContact ND1-CD2 3.96Å; H711-H713 AromaticContact ND1-CE1 3.96Å; H711-H713 AromaticContact ND1-NE2 3.09Å; H711-H713 PolarHBondContact ND1-NE2 3.48Å
712	G	37.6	Very low	34.6	Very low	66 Å²	66	125 Å²	125	68%	0.68	72%	0.719	S	S	*	*			cis	153.2	-174.8	-6.5	0	0	0	0	0	115
713	H	37.9	Very low	34.8	Very low	151 Å²	151	125.1 Å²	125.1	70%	0.699	72%	0.72	S	S	*	*			trans	69.2	112.6	165.2	-54.5	-66.5	0	0	0	117.6	H711	H711-H713 AromaticContact CE1-NE2 3.99Å; H711-H713 AromaticContact ND1-CD2 3.96Å; H711-H713 AromaticContact ND1-CE1 3.96Å; H711-H713 AromaticContact ND1-NE2 3.09Å; H711-H713 PolarHBondContact ND1-NE2 3.48Å
714	S	33.5	Very low	35.3	Very low	106 Å²	106	125.6 Å²	125.6	74%	0.741	72%	0.715	S	S	*	*				82.7	147.5	62.2	76.3	0	0	0	0	113.6
715	S	37.5	Very low	35.4	Very low	92 Å²	92	128.2 Å²	128.2	64%	0.643	71%	0.714	S	S	*	*			cis	-163.4	161.4	25.4	56.2	0	0	0	0	114.7
716	T	35.7	Very low	35.5	Very low	115 Å²	115	129.6 Å²	129.6	71%	0.706	71%	0.708	S	S	*	*			trans	53.5	151.5	143.3	53	0	0	0	0	121.6
717	N	36	Very low	35.1	Very low	133 Å²	133	131.4 Å²	131.4	71%	0.711	71%	0.713	S	S	*	*			cis	-156.3	148.4	2.3	-109.2	-18.3	0	0	0	108.3
718	S	33.2	Very low	35	Very low	85 Å²	85	129.4 Å²	129.4	59%	0.594	71%	0.71	S	S	*	*				61.2	132.3	84.4	122.9	0	0	0	0	114.1
719	R	34.5	Very low	34.8	Very low	211 Å²	211	126.9 Å²	126.9	80%	0.796	71%	0.713	S	S	*	*			cis	-168.7	160	27.9	-105.8	162.9	-174.1	-153	2.2	112.3
720	I	36.1	Very low	35.2	Very low	159 Å²	159	126.8 Å²	126.8	82%	0.815	72%	0.719	S	S	*	*			trans	47.3	140.2	135.5	-56.6	167.1	0	0	0	119.2
721	G	32.9	Very low	35.1	Very low	65 Å²	65	124 Å²	124	67%	0.67	72%	0.723	S	S	*	*			cis	-172.2	-166.5	14	0	0	0	0	0	114.5
722	P	37.5	Very low	34.9	Very low	119 Å²	119	122.7 Å²	122.7	77%	0.773	73%	0.728	S	S	*	*			trans	-130.8	177.9	-152.6	43.7	-30.8	0	0	0	118.4
723	S	33.5	Very low	34.8	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	74%	0.735	S	S	*	*			trans	89.8	171.9	147.7	88.2	0	0	0	0	118
724	P	41.5	Very low	34.6	Very low	103 Å²	103	127.1 Å²	127.1	67%	0.669	74%	0.735	S	S	*	*				-139.9	-164.2	-111.4	32.9	-6.9	0	0	0	116.5
725	F	31.2	Very low	34.7	Very low	161 Å²	161	127.3 Å²	127.3	71%	0.706	73%	0.727	S	S	*	*			trans	112.7	145.6	152.7	-81.4	-76.7	0	0	0	122.2
726	Y	33.9	Very low	34.6	Very low	183 Å²	183	131.1 Å²	131.1	72%	0.718	73%	0.729	S	S	*	*			trans	75.7	108.9	151.6	-67.2	-52.1	0	0	0	124.8
727	N	29.4	Very low	34.7	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	73%	0.725	S	S	*	*				74.2	124	122.3	-72.7	2.5	0	0	0	125
728	S	29.9	Very low	34.6	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	72%	0.724	S	S	*	*				76.9	110.2	128.8	65.9	0	0	0	0	123
729	S	32.2	Very low	34.7	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	73%	0.733	S	S	*	*				88.2	159.8	120.6	-63.1	0	0	0	0	119.5
730	P	42.8	Very low	34.7	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	73%	0.73	S	S	*	*			trans	-136.5	172.3	-134.5	42.6	-26.4	0	0	0	118.7
731	T	34.1	Very low	34.6	Very low	138 Å²	138	139.7 Å²	139.7	85%	0.847	73%	0.728	S	S	*	*			trans	-156.1	139.5	160.6	24.6	0	0	0	0	109.4
732	C	31.4	Very low	34.6	Very low	110 Å²	110	141.9 Å²	141.9	74%	0.743	73%	0.733	S	S	*	*				75.9	146.5	76.7	-131.9	0	0	0	0	112.5
733	E	35.5	Very low	34.6	Very low	179 Å²	179	139.8 Å²	139.8	84%	0.836	73%	0.733	S	S	*	*			cis	-102.7	-147.7	10.3	-54.1	-168.3	83	0	0	112
734	D	35.1	Very low	34.5	Very low	131 Å²	131	142.1 Å²	142.1	70%	0.701	74%	0.737	S	S	*	*			cis	-143.3	-132.4	13.8	-178.2	61.7	0	0	0	111.9
735	L	35.2	Very low	34.3	Very low	109 Å²	109	145.2 Å²	145.2	57%	0.571	75%	0.746	S	S	*	*			trans	-136.6	163	-151.7	-63.2	168.5	0	0	0	111.2
736	Y	35.3	Very low	34.2	Very low	172 Å²	172	144.8 Å²	144.8	68%	0.675	75%	0.75	S	S	*	*			cis	-155.4	-166.8	17.5	-99.7	-42.2	0	0	0	106.9
737	K	36.8	Very low	34.2	Very low	144 Å²	144	143.5 Å²	143.5	63%	0.626	76%	0.762	S	S	*	*			cis	-172.5	160.1	-14.3	-100.2	155.7	-176.8	152.1	0	103
738	M	35.4	Very low	34.2	Very low	141 Å²	141	148.3 Å²	148.3	70%	0.695	77%	0.77	S	S	*	*			cis	-169.6	161	-16	-79.4	-97.8	-171.7	0	0	104
739	R	34.6	Very low	34.4	Very low	205 Å²	205	148.5 Å²	148.5	77%	0.774	77%	0.771	S	S	*	*			cis	-159.7	155.8	1.8	-127.8	171.3	-164.9	-165.7	3.3	110.9
740	R	33.7	Very low	34.4	Very low	197 Å²	197	148.8 Å²	148.8	74%	0.743	77%	0.768	S	S	*	*			trans	-9.7	153.1	147.8	-54.6	178.9	-174.2	178.6	-0.7	118.4
741	Y	35.7	Very low	33.9	Very low	197 Å²	197	150.3 Å²	150.3	77%	0.773	77%	0.77	S	S	*	*				-151.2	-179	55.9	-108.5	-87.1	0	0	0	116.4
742	S	32.3	Very low	33.7	Very low	111 Å²	111	150 Å²	150	78%	0.776	76%	0.763	S	S	*	*			trans	-143.1	157	-158.5	55.7	0	0	0	0	114.5
743	G	37.3	Very low	33.9	Very low	75 Å²	75	154.2 Å²	154.2	77%	0.773	77%	0.772	S	S	*	*			trans	-169.3	138.2	166.5	0	0	0	0	0	114
744	N	32.2	Very low	33.6	Very low	160 Å²	160	151.2 Å²	151.2	86%	0.856	77%	0.765	S	S	*	*			trans	-120.3	157.4	178.3	-78.3	-16.8	0	0	0	110.7
745	I	35.5	Very low	33.4	Very low	168 Å²	168	152.8 Å²	152.8	86%	0.862	77%	0.774	S	S	*	*				177.1	157.7	127	-92.2	157.7	0	0	0	110.5
746	L	29.3	Very low	33.2	Very low	151 Å²	151	153 Å²	153	79%	0.791	78%	0.78	S	S	*	*			trans	-91.6	157.9	-171.8	-51.8	85.7	0	0	0	113.6
747	T	35.1	Very low	32.9	Very low	156 Å²	156	155.1 Å²	155.1	96%	0.957	79%	0.788	S	S	*	*				-164.6	-179.1	124.3	12.1	0	0	0	0	112.2
748	R	29.4	Very low	32.5	Very low	237 Å²	237	155.4 Å²	155.4	89%	0.894	80%	0.796	S	S	*	*			trans	-136.5	119.2	-144.4	173.6	-162.1	-171.3	-174	4.6	114.1
749	S	33.5	Very low	32.3	Very low	103 Å²	103	156.3 Å²	156.3	72%	0.72	80%	0.804	S	S	*	*			trans	-176	107.1	153.4	49.8	0	0	0	0	109.2
750	T	31.7	Very low	32	Very low	123 Å²	123	154.6 Å²	154.6	76%	0.755	81%	0.809	S	S	*	*				50.8	102	92.7	61.1	0	0	0	0	114.6
751	D	34	Very low	31.8	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	81%	0.809	S	S	*	*				-157.3	-179	90.9	-135.1	-48.4	0	0	0	112.5
752	N	29.9	Very low	31.4	Very low	133 Å²	133	145.2 Å²	145.2	71%	0.711	81%	0.814	S	S	*	*			trans	-90.7	140	-164.4	-64.3	-91.9	0	0	0	114.6
753	Q	33.8	Very low	31.2	Very low	198 Å²	198	147.3 Å²	147.3	93%	0.925	82%	0.815	S	S	*	*				-162.4	155.7	112.3	-106.3	176.2	28.8	0	0	111.4
754	V	29.7	Very low	30.8	Very low	115 Å²	115	151.3 Å²	151.3	70%	0.697	82%	0.819	S	S	*	*			trans	-114.6	131.4	-166.7	175.8	0	0	0	0	110.8	V756	V754-V756 HydrophobicContact CG1-CG2 3.82Å
755	N	31.8	Very low	30.6	Very low	165 Å²	165	150 Å²	150	88%	0.882	82%	0.817	S	S	*	*			trans	-146.7	141.5	150.9	-117.1	-36.2	0	0	0	109.5
756	V	29.4	Very low	30.2	Very low	114 Å²	114	147.1 Å²	147.1	69%	0.691	81%	0.809	S	S	*	*			trans	-117.9	114	-161.9	179	0	0	0	0	111.1	V754	V754-V756 HydrophobicContact CG1-CG2 3.82Å
757	Y	29.7	Very low	30	Very low	215 Å²	215	151.5 Å²	151.5	84%	0.843	82%	0.815	S	S	*	*			trans	-139.5	153.9	158.8	-88.3	-80.5	0	0	0	110.3
758	D	29.1	Very low	29.8	Very low	150 Å²	150	154.6 Å²	154.6	80%	0.802	81%	0.81	S	S	*	*			trans	52.5	112	172.5	-60.1	-18.9	0	0	0	119
759	N	31.5	Very low	29.7	Very low	160 Å²	160	150.7 Å²	150.7	86%	0.856	81%	0.807	S	S	*	*			trans	-145.8	142.6	147	-142.2	-24.3	0	0	0	111.1
760	L	27.7	Very low	29.5	Very low	170 Å²	170	153.6 Å²	153.6	89%	0.89	82%	0.815	S	S	*	*			trans	-76.7	142.8	-175.2	-78.7	67.2	0	0	0	110.9
761	G	29.6	Very low	29.3	Very low	72 Å²	72	151.4 Å²	151.4	74%	0.742	82%	0.816	S	S	*	*			trans	-142.1	74.8	-178	0	0	0	0	0	113.4	L763	G761-L763 PolarHBondContact O-N 3.48Å
762	S	27.9	Very low	29.1	Very low	124 Å²	124	154.5 Å²	154.5	87%	0.867	82%	0.823	S	S	*	*			trans	-68.3	117.1	170.9	-178.9	0	0	0	0	110.4
763	L	27.9	Very low	29	Very low	155 Å²	155	155.7 Å²	155.7	81%	0.812	83%	0.829	S	S	*	*			trans	-138.4	139.6	174	-93.7	171.5	0	0	0	112	G761	G761-L763 PolarHBondContact O-N 3.48Å
764	N	27.4	Very low	29.2	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	80%	0.801	S	S	*	*			trans	-72.2	143.7	-173.3	-61.4	-74	0	0	0	112.6
765	V	29.6	Very low	29.3	Very low	133 Å²	133	148.3 Å²	148.3	81%	0.806	80%	0.797	S	S	*	*			trans	-125	128.7	166.6	-177.7	0	0	0	0	108.5
766	P	27.1	Very low	29.5	Very low	107 Å²	107	144 Å²	144	70%	0.695	77%	0.769	S	S	*	*			trans	-74	154.8	-172.5	29.3	-35.6	0	0	0	113.5	Y768	P766-Y768 PolarHBondContact O-N 3.15Å
767	R	25.4	Very low	29.7	Very low	243 Å²	243	147.8 Å²	147.8	92%	0.917	77%	0.77	S	S	*	*			trans	-65.3	125	177.1	-64.9	177.3	177.3	176.3	-1.8	111.6
768	Y	30.1	Very low	29.9	Very low	221 Å²	221	145 Å²	145	87%	0.867	76%	0.764	S	S	*	*			trans	-134.6	132.2	153.6	-91.8	-82.8	0	0	0	110.3	P766	P766-Y768 PolarHBondContact O-N 3.15Å
769	N	26.9	Very low	30.1	Very low	155 Å²	155	143 Å²	143	83%	0.829	76%	0.762	S	S	*	*			trans	-74	128.2	177.3	-72.7	-21.2	0	0	0	110.4
770	N	30	Very low	29.9	Very low	165 Å²	165	144 Å²	144	88%	0.882	76%	0.755	S	S	*	*			trans	-161.9	132.4	140.6	-97.3	-34.1	0	0	0	109.3
771	G	27.9	Very low	30.1	Very low	76 Å²	76	139.5 Å²	139.5	78%	0.784	75%	0.751	S	S	*	*			trans	-82.6	124.3	-169.8	0	0	0	0	0	113.4	L773	G771-L773 PolarHBondContact O-N 3.11Å
772	F	28	Very low	29.9	Very low	214 Å²	214	145.9 Å²	145.9	94%	0.939	76%	0.758	S	S	*	*			trans	-77.1	111.6	162.9	-98.9	-100.6	0	0	0	109.6
773	L	28.6	Very low	30	Very low	159 Å²	159	146.8 Å²	146.8	83%	0.832	76%	0.759	S	S	*	*			trans	-98.5	128.1	167.3	-78.2	169.1	0	0	0	109.9	G771 P775	G771-L773 PolarHBondContact O-N 3.11Å; L773-P775 WeakPolarHBondContact O-CD 3.17Å
774	D	37.9	Very low	30.1	Very low	63 Å²	63	145.2 Å²	145.2	34%	0.337	76%	0.758	S	S	.	*			trans	-83.2	118.3	-176.5	169.1	9.8	0	0	0	111.2	R776 R777	D774-R776 PolarHBondContact O-N 3.37Å; D774-R776 PolarHBondContact OD1-N 3.34Å; D774-R777 HydrophobicContact CB-CG 4.08Å; D774-R777 PolarHBondContact O-N 3.5Å
775	P	32.2	Very low	30.4	Very low	95 Å²	95	142.9 Å²	142.9	62%	0.617	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-0.9	-179.9	-20.5	33.6	0	0	0	116.1	L773	L773-P775 WeakPolarHBondContact O-CD 3.17Å
776	R	36.8	Very low	30.5	Very low	75 Å²	75	142.8 Å²	142.8	28%	0.283	75%	0.754	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.5	10.1	178.6	-60.1	-166.4	-172.6	125.1	-0.7	114.4	N308 D774 H778	N308-R776 VanDerWaalsContact OD1-CZ 3.27Å; N308-R776 PolarHBondContact OD1-NH1 3.06Å; N308-R776 PolarHBondContact OD1-NH2 2.87Å; N308-R776 VanDerWaalsContact OD1-NH2 3.13Å; D774-R776 PolarHBondContact O-N 3.37Å; D774-R776 PolarHBondContact OD1-N 3.34Å; R776-H778 PolarHBondContact O-N 2.91Å
777	R	33	Very low	30.7	Very low	192 Å²	192	143.5 Å²	143.5	73%	0.725	76%	0.761	S	S	*	*			trans	-76.5	86.7	178.4	-85.1	-176.5	167.8	-104	-0.2	114	D774	D774-R777 HydrophobicContact CB-CG 4.08Å; D774-R777 PolarHBondContact O-N 3.5Å
778	H	33.2	Very low	30.7	Very low	156 Å²	156	137.6 Å²	137.6	72%	0.722	75%	0.753	S	S	*	*			trans	-123	99.3	150.6	-82.5	-61.8	0	0	0	110.8	R776 F801	R776-H778 PolarHBondContact O-N 2.91Å; H778-F801 AromaticContact CD2-CE1 3.94Å; H778-F801 AromaticContact NE2-CE1 3.59Å
779	S	33.5	Very low	30.6	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	75%	0.754	S	S	*	*			trans	-82.4	137.6	166.6	47.8	0	0	0	0	110.4	G781	S779-G781 PolarHBondContact O-N 2.66Å
780	Y	28.2	Very low	30.8	Very low	181 Å²	181	134.8 Å²	134.8	71%	0.71	75%	0.752	S	S	*	*			trans	-61.1	131.5	167.6	-68.1	-90.7	0	0	0	110.3	T155	T155-Y780 WeakPolarHBondContact CG2-OH 3.38Å; T155-Y780 WeakPolarHBondContact OG1-CE2 3.39Å; T155-Y780 PolarHBondContact OG1-OH 3.11Å
781	G	31.2	Very low	30.8	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	75%	0.752	S	S	*	*			trans	177.8	124	179.3	0	0	0	0	0	111.8	S779	S779-G781 PolarHBondContact O-N 2.66Å
782	F	25.7	Very low	30.7	Very low	206 Å²	206	139 Å²	139	90%	0.904	75%	0.754	S	S	*	*			trans	-98.5	125.1	-176.6	-138.7	-97.4	0	0	0	109.7
783	T	30.3	Very low	30.6	Very low	143 Å²	143	134.9 Å²	134.9	88%	0.877	75%	0.746	S	S	*	*			trans	178.2	144.8	150.9	17.4	0	0	0	0	111.4
784	P	29.6	Very low	30.7	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	74%	0.742	S	S	*	*			trans	-120.6	119.6	177.5	36.6	-23.3	0	0	0	114.6
785	S	33.3	Very low	30.1	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	77%	0.77	S	S	*	*			trans	-161.7	129.3	157.2	52.2	0	0	0	0	115.7
786	T	31.6	Very low	29.8	Very low	131 Å²	131	140 Å²	140	80%	0.804	78%	0.778	S	S	*	*			trans	44.3	112.5	143.2	58.2	0	0	0	0	122
787	S	30.9	Very low	29.4	Very low	122 Å²	122	141 Å²	141	85%	0.853	80%	0.795	S	S	*	*				136	142.2	107.9	-159.6	0	0	0	0	115
788	T	26.5	Very low	29.2	Very low	119 Å²	119	138.4 Å²	138.4	73%	0.73	79%	0.791	S	S	*	*			trans	-115.3	132.6	-175	55.8	0	0	0	0	112.2
789	K	27.5	Very low	29.1	Very low	204 Å²	204	131.9 Å²	131.9	89%	0.887	77%	0.766	S	S	*	*			trans	158.7	102.9	138.1	-89.6	163.4	-178.8	177.8	0	112
790	S	31.1	Very low	29.1	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	76%	0.763	S	S	*	*			trans	-168.7	137	147.6	40.8	0	0	0	0	113.8
791	L	29.5	Very low	29.2	Very low	171 Å²	171	128.9 Å²	128.9	90%	0.895	75%	0.754	S	S	*	*			trans	55.3	115.9	149.3	-60.6	173	0	0	0	121.5
792	I	25.3	Very low	29.2	Very low	159 Å²	159	130.7 Å²	130.7	82%	0.815	75%	0.75	S	S	*	*			trans	-71.6	133.3	160.9	-62.4	152.9	0	0	0	109.6
793	T	27.4	Very low	29.4	Very low	127 Å²	127	126.3 Å²	126.3	78%	0.779	74%	0.74	S	S	*	*			trans	176.9	160.2	136.8	26.8	0	0	0	0	112.9
794	V	29.1	Very low	29.4	Very low	124 Å²	124	125 Å²	125	75%	0.752	73%	0.734	S	S	*	*			trans	70.8	121.4	170.8	-158.6	0	0	0	0	117.4	V796	V794-V796 HydrophobicContact CG1-CG2 4.22Å; V794-V796 PolarHBondContact O-N 3Å
795	N	26.4	Very low	29.3	Very low	170 Å²	170	127.4 Å²	127.4	91%	0.909	74%	0.739	S	S	*	*			trans	-84.7	96.3	176.9	-70	-13.4	0	0	0	112.1
796	V	26.2	Very low	29.2	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	74%	0.738	S	S	*	*			trans	-140.5	88.8	167	-173.5	0	0	0	0	111.1	V794	V794-V796 HydrophobicContact CG1-CG2 4.22Å; V794-V796 PolarHBondContact O-N 3Å
797	C	28.2	Very low	29.1	Very low	97 Å²	97	132 Å²	132	66%	0.655	74%	0.743	S	S	*	*			trans	-142.4	148.2	171.2	-75.7	0	0	0	0	108
798	E	29.3	Very low	29	Very low	137 Å²	137	137.5 Å²	137.5	64%	0.64	75%	0.745	S	S	*	*			cis	-151.4	159.7	-3.5	-115.1	155.5	-127.4	0	0	109.3
799	G	31	Very low	29.1	Very low	19 Å²	19	134.9 Å²	134.9	20%	0.196	74%	0.741	C	S	.	*			trans	-88.4	162.1	174.8	0	0	0	0	0	112.8	F801	G799-F801 PolarHBondContact O-N 3Å
800	P	32.4	Very low	29.2	Very low	106 Å²	106	130 Å²	130	69%	0.688	73%	0.733	S	S	*	*			trans	-72.5	114.7	-174.9	28.5	-34.1	0	0	0	112.3
801	F	31	Very low	29.2	Very low	121 Å²	121	131.9 Å²	131.9	53%	0.531	73%	0.733	S	S	.	*			trans	-65.6	134	166.8	-75.5	-93.2	0	0	0	111.2	H778 G799	H778-F801 AromaticContact CD2-CE1 3.94Å; H778-F801 AromaticContact NE2-CE1 3.59Å; G799-F801 PolarHBondContact O-N 3Å
802	V	31.2	Very low	29.3	Very low	115 Å²	115	134.9 Å²	134.9	70%	0.697	73%	0.732	S	S	*	*			trans	-109.6	99.1	163	178.9	0	0	0	0	107.4
803	T	30.4	Very low	29.6	Very low	114 Å²	114	137.7 Å²	137.7	70%	0.699	73%	0.732	S	S	*	*			trans	-101.6	117.9	171.8	38.3	0	0	0	0	109.5	L805	T803-L805 PolarHBondContact O-N 3.03Å
804	P	28.7	Very low	29.8	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	73%	0.732	S	S	*	*			trans	-71.1	119.9	176.1	27.9	-32.5	0	0	0	110	S806	P804-S806 PolarHBondContact O-N 3Å
805	L	29.1	Very low	30.1	Very low	173 Å²	173	138.4 Å²	138.4	91%	0.906	74%	0.737	S	S	*	*			trans	-66.4	103.1	173.4	-85.3	166.8	0	0	0	109.9	T803 Y807	T803-L805 PolarHBondContact O-N 3.03Å; L805-Y807 PolarHBondContact O-N 2.67Å
806	S	30.9	Very low	30.3	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	73%	0.726	S	S	*	*			trans	-78.9	108.4	174.6	41	0	0	0	0	110.2	P804 R808	P804-S806 PolarHBondContact O-N 3Å; S806-R808 VanDerWaalsContact C-N 3.3Å; S806-R808 PolarHBondContact O-N 3.23Å
807	Y	28.3	Very low	30.7	Very low	232 Å²	232	139.8 Å²	139.8	91%	0.91	74%	0.736	S	S	*	*			trans	-68.7	81.8	178.6	-134.2	-87.1	0	0	0	110.6	L805 G809	L805-Y807 PolarHBondContact O-N 2.67Å; Y807-G809 VanDerWaalsContact C-N 3.33Å; Y807-G809 PolarHBondContact O-N 2.62Å
808	R	29.3	Very low	30.8	Very low	237 Å²	237	140.4 Å²	140.4	89%	0.894	74%	0.741	S	S	*	*			trans	-85.7	69.8	-171.8	-153.1	178.7	-159.4	-142.3	4.9	112.5	S806 S810	S806-R808 VanDerWaalsContact C-N 3.3Å; S806-R808 PolarHBondContact O-N 3.23Å; R808-S810 PolarHBondContact O-N 3.08Å
809	G	29.1	Very low	31	Very low	64 Å²	64	139.9 Å²	139.9	66%	0.66	75%	0.752	S	S	*	*			trans	-58.8	103.9	170.7	0	0	0	0	0	111.5	Y807 I811	Y807-G809 VanDerWaalsContact C-N 3.33Å; Y807-G809 PolarHBondContact O-N 2.62Å; G809-I811 PolarHBondContact O-N 3.18Å; G809-I811 VanDerWaalsContact O-N 3.12Å
810	S	30.4	Very low	31.2	Very low	103 Å²	103	142 Å²	142	72%	0.72	77%	0.773	S	S	*	*			trans	-82.7	87.9	-175	-177.9	0	0	0	0	111.5	R808 R812	R808-S810 PolarHBondContact O-N 3.08Å; S810-R812 PolarHBondContact O-N 3.4Å
811	I	30.5	Very low	31.2	Very low	152 Å²	152	145.1 Å²	145.1	78%	0.779	78%	0.778	S	S	*	*			trans	-68.5	101.1	168.8	-59	175.2	0	0	0	108.7	G809 R813	G809-I811 PolarHBondContact O-N 3.18Å; G809-I811 VanDerWaalsContact O-N 3.12Å; I811-R813 HydrophobicContact CG2-CG 4.46Å
812	R	31.6	Very low	31.4	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	79%	0.792	S	S	*	*			trans	-103.3	125.4	156.9	-85.9	-167.4	169.2	-157.4	-2.6	109.1	S810	S810-R812 PolarHBondContact O-N 3.4Å
813	R	30.6	Very low	31.5	Very low	218 Å²	218	147.6 Å²	147.6	82%	0.823	79%	0.791	S	S	*	*			trans	-87.3	165.9	172.1	-72.2	-175.8	172.2	175.7	-2.7	111	I811	I811-R813 HydrophobicContact CG2-CG 4.46Å
814	N	32.2	Very low	31.8	Very low	145 Å²	145	148.9 Å²	148.9	78%	0.775	80%	0.798	S	S	*	*			trans	86.6	119.5	162	-65.4	7.4	0	0	0	119
815	S	34.7	Very low	32.1	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	80%	0.801	S	S	*	*			trans	59.2	111.9	139.7	61.1	0	0	0	0	120.5
816	G	31.7	Very low	32.2	Very low	65 Å²	65	149.4 Å²	149.4	67%	0.67	80%	0.799	S	S	*	*				158.1	97.4	123.9	0	0	0	0	0	119.2
817	W	33.7	Very low	32.4	Very low	262 Å²	262	151.5 Å²	151.5	99%	0.992	81%	0.807	S	S	*	*			trans	77.9	150.7	144.1	-65.1	32.7	0	0	0	119.8
818	S	31.2	Very low	32.6	Very low	110 Å²	110	145 Å²	145	77%	0.769	80%	0.795	S	S	*	*			trans	-78.7	176.9	-170.8	49.4	0	0	0	0	114.5
819	C	33.2	Very low	32.9	Very low	127 Å²	127	139.1 Å²	139.1	86%	0.858	79%	0.786	S	S	*	*			cis	-166	168.4	29.1	-157	0	0	0	0	114.3
820	G	34.3	Very low	33.2	Very low	63 Å²	63	145.9 Å²	145.9	65%	0.649	80%	0.797	S	S	*	*			trans	81.5	133	169.7	0	0	0	0	0	115.5
821	Q	33.8	Very low	33.5	Very low	171 Å²	171	149.9 Å²	149.9	80%	0.799	80%	0.802	S	S	*	*			cis	66.4	130.2	32.5	-55.6	-172.6	-21.9	0	0	113.5
822	F	33.6	Very low	33.6	Very low	187 Å²	187	152 Å²	152	82%	0.82	81%	0.806	S	S	*	*			cis	-138.4	173.4	26.4	-86.7	-95.7	0	0	0	115.1
823	P	34.9	Very low	33.8	Very low	102 Å²	102	147.3 Å²	147.3	66%	0.662	80%	0.802	S	S	*	*			trans	-118.1	-175	-178.5	42.1	-30.1	0	0	0	116.4
824	T	35.8	Very low	34	Very low	141 Å²	141	148.5 Å²	148.5	87%	0.865	82%	0.824	S	S	*	*			trans	77.9	154.2	178.1	75.9	0	0	0	0	115.4
825	S	35.3	Very low	34.1	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	83%	0.826	S	S	*	*			cis	-142.4	-177.7	10.8	65.2	0	0	0	0	114.5
826	Q	31.4	Very low	34.1	Very low	184 Å²	184	150.1 Å²	150.1	86%	0.86	83%	0.825	S	S	*	*			trans	-55.9	156.6	178.8	-55.8	164.7	-10.6	0	0	115.6
827	V	35.8	Very low	34.2	Very low	150 Å²	150	154.8 Å²	154.8	91%	0.909	83%	0.833	S	S	*	*				-159.6	156.4	123.6	145.8	0	0	0	0	108.3
828	S	32.4	Very low	34.2	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	82%	0.824	S	S	*	*			trans	-111.4	169.7	-172.6	68.4	0	0	0	0	114
829	T	35.2	Very low	34.4	Very low	113 Å²	113	150.9 Å²	150.9	69%	0.693	83%	0.827	S	S	*	*			trans	73.4	119.1	153.9	-47.7	0	0	0	0	117.8
830	F	35.8	Very low	34.5	Very low	206 Å²	206	152.5 Å²	152.5	90%	0.904	83%	0.825	S	S	*	*				-159.4	159.9	113.7	-120.7	-86.8	0	0	0	112.6
831	K	34.8	Very low	34.5	Very low	188 Å²	188	158.9 Å²	158.9	82%	0.817	84%	0.838	S	S	*	*			trans	-111.5	160	-177.2	-97.3	-177.7	176.7	174.9	0	111.7
832	K	32.9	Very low	34.6	Very low	197 Å²	197	158 Å²	158	86%	0.857	84%	0.841	S	S	*	*			trans	78.6	155.6	156	-78.7	-176.9	168.9	-173.3	0	119.2
833	V	37	Very low	34.6	Very low	133 Å²	133	155.6 Å²	155.6	81%	0.806	84%	0.843	S	S	*	*			trans	75	72.9	167.7	-156.3	0	0	0	0	116.4
834	L	34.4	Very low	34.6	Very low	244 Å²	244	160.5 Å²	160.5	100%	1.277	86%	0.859	S	S	*	*				-147.9	0	105.1	-103.2	162.7	0	0	0	109.6

Retrieved 834 of 834 residues in 1281.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).