A0A5K4FBA9_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4FBA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,056 aa.

						>A0A5K4FBA9_SCHMA|A0A5K4FBA9
MLKSFFKKFISVEESGKKSFSSTIERSVNPTDIWEIISELGDGAFGKVYKTHKRNTDLFAALKRVDFESEDELEDFMLEIDILTNFKHKNILTLHEVYIYESKLWIYLELCGGGALDSIMEALEKPLTEPQIRFVSREVLQGLEFLHEKLIIHRDMKAGNILLTLSNEVKLADFGVSAKLADEKQKRSTFIGTPYWMAPEVINCETFKDAPYNWKADIWSFGITLIELAQKRPPHNATNPTRVLLKILKSDPPTLSRPHLWSSKFKTFLGRTLQKDPNQRPECRDLLLDPFVSDVTESDRKVIQILLCEVNADIIETVEDFDPNEPIDEIDDNDLNPLILSDSTKLSIPVEMVCDDGDDDVDDHKNDVIGGEIDNSKNDHESNKNLKQINDNSGDSGVSLGQTTSENQSDSNNKMNDHVIDEIADQLITDVITSETQSPSITSCVFESMNDIHSIIIKSPNTSSNSPATNITTTVVSNSTDKTEHVTKVNGNVDNRVRETIVHPKKQLNTSETTEHKSSVVNDILKDPPSSSPSATDFHDNNNKSKVVISPLKRQNSAYRTRTRTRRFVIDGQTITTTSKRIVNTNLEDKKFREDEQIKRKAALRAFRILAKQEAHQTRELNERAQQQIDILENKMNAEFSTLTKTYDHKMEIAIRNYKLQMERLDKEFEVEMKRIRTETSKEERTFKDRLKNEIDTYDRAMRKAAKRDLNKYDHIIQSNSSLTSLKSNNSTTTTNTTTTNNNNNSSSLVSQRLTIFRENQESRMNSRIYDLHNEYNKRRNLIHSEYLNEIHTLRLNFEEDKWRTEHRFLSMKHQLDRNRQLDLFMIKREQLTGRSELELTELKQTINMERSKLQAIHSIERKNCIKSMKSVHKRSILTLQRQSRLNTIQMNEAQKRMNEELELLESKQKAQTDELEKSIHFRLQELEQSTIEKRNALIDQETKRLQELDNRHQNEMRIYSESLPRIKALMKEQFAQEYKEDSFKLHNYHNYRSYSPKSHKSRLPIPMTSLTNLRWGSLSNSNTKLNHLIEPRSHRILTLFSSDLNNTKTSSTDSM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	34.3	Very low	218 Å²	218	143 Å²	143	100%	1.074	69%	0.691	S	S	*	*				0	-56.1	0	-138.8	178.8	-92.2	0	0	111.7	K3 S4 F5	M1-K3 PolarHBondContact O-N 2.7Å; M1-S4 WeakPolarHBondContact O-CB 3.45Å; M1-S4 PolarHBondContact O-N 3.17Å; M1-S4 VanDerWaalsContact O-N 3.12Å; M1-F5 PolarHBondContact O-N 2.9Å
2	L	35.2	Very low	34	Very low	135 Å²	135	139.7 Å²	139.7	71%	0.707	69%	0.685	S	S	*	*	H	α-helix	trans	-60.8	-37	176.9	-85.4	141.1	0	0	0	115.7	S4 F5 F6	L2-S4 VanDerWaalsContact C-N 3.25Å; L2-S4 PolarHBondContact O-N 3.25Å; L2-F5 PolarHBondContact O-N 3Å; L2-F6 PolarHBondContact O-N 3.42Å
3	K	34.9	Very low	33.7	Very low	195 Å²	195	141.2 Å²	141.2	85%	0.848	69%	0.69	S	S	*	*	H	α-helix	trans	-66.4	-23	174.1	-81	-174.4	175.6	-178.9	0	114.2	M1	M1-K3 PolarHBondContact O-N 2.7Å
4	S	38.6	Very low	33.4	Very low	88 Å²	88	139.1 Å²	139.1	62%	0.615	68%	0.678	S	S	*	*	H	α-helix	trans	-81.2	-33.4	176.2	-171.3	0	0	0	0	111.2	M1 L2 K7 K8	M1-S4 WeakPolarHBondContact O-CB 3.45Å; M1-S4 PolarHBondContact O-N 3.17Å; M1-S4 VanDerWaalsContact O-N 3.12Å; L2-S4 VanDerWaalsContact C-N 3.25Å; L2-S4 PolarHBondContact O-N 3.25Å; S4-K7 PolarHBondContact O-N 2.64Å; S4-K8 PolarHBondContact O-N 3.22Å
5	F	38.6	Very low	33.3	Very low	145 Å²	145	136.1 Å²	136.1	64%	0.636	68%	0.677	S	S	*	*	H	α-helix	trans	-66.8	-42.4	179.1	-138.6	-96.5	0	0	0	112.1	M1 L2 K7 K8 F9	M1-F5 PolarHBondContact O-N 2.9Å; L2-F5 PolarHBondContact O-N 3Å; F5-K7 PolarHBondContact O-N 2.92Å; F5-K8 PolarHBondContact O-N 3.24Å; F5-F9 HydrophobicContact CD1-CD2 4.32Å; F5-F9 HydrophobicContact CD1-CE2 4.07Å; F5-F9 HydrophobicContact CE1-CD2 4.48Å; F5-F9 AromaticContact CE1-CE2 3.78Å; F5-F9 HydrophobicContact CE1-CE2 3.78Å
6	F	35.9	Very low	33.3	Very low	141 Å²	141	130.7 Å²	130.7	62%	0.618	67%	0.666	S	S	*	*	H	α-helix	trans	-72.3	-26.5	177.6	-83.5	-79.4	0	0	0	114.1	L2 K8 I10	L2-F6 PolarHBondContact O-N 3.42Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 3.35Å; F6-I10 PolarHBondContact O-N 3.1Å
7	K	35.9	Very low	33.5	Very low	165 Å²	165	133.2 Å²	133.2	72%	0.717	67%	0.672	S	S	*	*	H	α-helix	trans	-73.1	-25.7	176.6	-140.1	178.7	-175	-174.3	0	112.3	S4 F5 S11	S4-K7 PolarHBondContact O-N 2.64Å; F5-K7 PolarHBondContact O-N 2.92Å; K7-S11 WeakPolarHBondContact O-CB 3.31Å; K7-S11 PolarHBondContact O-N 3.03Å; K7-S11 PolarHBondContact O-OG 3.28Å
8	K	31.5	Very low	33.6	Very low	158 Å²	158	134.5 Å²	134.5	69%	0.687	67%	0.672	S	S	*	*	H	α-helix	trans	-78.2	-29.2	177.6	-132.1	178.3	-176.2	-174.3	0	113.1	S4 F5 F6 S11 V12	S4-K8 PolarHBondContact O-N 3.22Å; F5-K8 PolarHBondContact O-N 3.24Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 3.35Å; K8-S11 PolarHBondContact O-OG 3.4Å; K8-V12 WeakPolarHBondContact O-CG2 3.42Å
9	F	30.6	Very low	34.3	Very low	148 Å²	148	131.3 Å²	131.3	65%	0.649	66%	0.664	S	S	*	*	H	α-helix	trans	-78.7	-30.6	175.4	-87.2	-82	0	0	0	113.1	F5	F5-F9 HydrophobicContact CD1-CD2 4.32Å; F5-F9 HydrophobicContact CD1-CE2 4.07Å; F5-F9 HydrophobicContact CE1-CD2 4.48Å; F5-F9 AromaticContact CE1-CE2 3.78Å; F5-F9 HydrophobicContact CE1-CE2 3.78Å
10	I	33.4	Very low	35.2	Very low	112 Å²	112	128.5 Å²	128.5	57%	0.574	65%	0.647	S	S	*	*	H	α-helix	trans	-78.6	-25.8	176.5	-64.1	170.8	0	0	0	111.8	F6	F6-I10 PolarHBondContact O-N 3.1Å
11	S	30.9	Very low	36	Very low	68 Å²	68	127.1 Å²	127.1	48%	0.476	65%	0.65	S	S	.	*	H	α-helix	trans	-80.8	-12.9	-178.2	61.2	0	0	0	0	115.3	K7 K8	K7-S11 WeakPolarHBondContact O-CB 3.31Å; K7-S11 PolarHBondContact O-N 3.03Å; K7-S11 PolarHBondContact O-OG 3.28Å; K8-S11 PolarHBondContact O-OG 3.4Å
12	V	30.9	Very low	37.5	Very low	103 Å²	103	121.8 Å²	121.8	62%	0.624	63%	0.633	S	S	*	*	H	α-helix	trans	-87.6	-25.6	-176.9	175.5	0	0	0	0	112.3	K8 S15	K8-V12 WeakPolarHBondContact O-CG2 3.42Å; V12-S15 PolarHBondContact O-OG 3.01Å
13	E	29.1	Very low	39.6	Very low	160 Å²	160	117.3 Å²	117.3	75%	0.748	61%	0.612	S	S	*	*	H	α-helix	trans	-88.4	-16.5	177.7	-75.4	-176.7	168.4	0	0	114.2
14	E	29.9	Very low	42.2	Very low	112 Å²	112	108.8 Å²	108.8	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-88.3	-12.2	178	-79.7	-168.7	177.4	0	0	114.7	K18	E14-K18 IonicContact OE2-NZ 2.94Å
15	S	31.5	Very low	44.7	Very low	94 Å²	94	109 Å²	109	66%	0.657	57%	0.567	S	S	*	*	H	α-helix	trans	-77.3	-21.6	179.8	51.4	0	0	0	0	113.7	V12	V12-S15 PolarHBondContact O-OG 3.01Å
16	G	34.4	Very low	47.1	Very low	49 Å²	49	108.4 Å²	108.4	51%	0.505	56%	0.56	S	S	.	*	H	α-helix	trans	-86.1	-31.6	176.3	0	0	0	0	0	114.7	K18	G16-K18 PolarHBondContact O-N 2.71Å
17	K	36.2	Very low	49.2	Very low	174 Å²	174	106.9 Å²	106.9	76%	0.757	57%	0.567	S	S	*	*	H	α-helix	trans	-82.3	-10.9	-173.6	-72.8	-178.1	176.9	174.5	0	115
18	K	36	Very low	51.7	Low	156 Å²	156	101.6 Å²	101.6	68%	0.678	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.2	-175.8	-80	-179	-179.4	168.9	0	115.2	E14 G16	E14-K18 IonicContact OE2-NZ 2.94Å; G16-K18 PolarHBondContact O-N 2.71Å
19	S	46.6	Very low	54.6	Low	74 Å²	74	95.6 Å²	95.6	52%	0.517	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-32.6	-177.1	-160.2	0	0	0	0	114.4	S22	S19-S22 PolarHBondContact O-OG 3.02Å
20	F	52.6	Low	57.6	Low	74 Å²	74	88.6 Å²	88.6	33%	0.325	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-75.7	-28	-173.4	-73.2	-83.2	0	0	0	113.8	S22 T23 I24 M77 D81	F20-S22 PolarHBondContact O-N 2.81Å; F20-S22 VanDerWaalsContact O-N 3.13Å; F20-T23 PolarHBondContact O-N 2.95Å; F20-I24 PolarHBondContact O-N 3.28Å; F20-M77 HydrophobicContact CD1-SD 4.24Å; F20-M77 HydrophobicContact CE1-CB 4.12Å; F20-D81 HydrophobicContact CE1-CB 3.89Å; F20-D81 HydrophobicContact CZ-CB 4.07Å
21	S	52.1	Low	60.5	Low	101 Å²	101	85.5 Å²	85.5	71%	0.706	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-66.2	-16.5	-172.8	-172.2	0	0	0	0	114.4
22	S	63.5	Low	63.5	Low	105 Å²	105	87.4 Å²	87.4	73%	0.734	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-87.4	-22.5	177.5	54.6	0	0	0	0	113.8	S19 F20	S19-S22 PolarHBondContact O-OG 3.02Å; F20-S22 PolarHBondContact O-N 2.81Å; F20-S22 VanDerWaalsContact O-N 3.13Å
23	T	78.7	Confident	66.6	Low	42 Å²	42	84.7 Å²	84.7	26%	0.258	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-30.4	-174.6	-49.7	0	0	0	0	112.5	F20 T84	F20-T23 PolarHBondContact O-N 2.95Å; T23-T84 HydrophobicContact CG2-CG2 3.98Å
24	I	89.1	Confident	69.8	Low	16 Å²	16	77.1 Å²	77.1	8%	0.082	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.6	-174.9	-56.6	176.7	0	0	0	110	F20 M77 V97 I99	F20-I24 PolarHBondContact O-N 3.28Å; I24-M77 HydrophobicContact CD1-CE 3.85Å; I24-M77 HydrophobicContact CD1-SD 3.55Å; I24-M77 VanDerWaalsContact CD1-SD 3.55Å; I24-V97 WeakPolarHBondContact CA-O 3.48Å; I24-V97 HydrophobicContact CG1-CB 4.18Å; I24-V97 HydrophobicContact CG1-CG1 3.96Å; I24-V97 HydrophobicContact CG2-CG1 4.22Å; I24-I99 HydrophobicContact CG2-CB 4.44Å; I24-I99 HydrophobicContact CG2-CD1 3.6Å; I24-I99 HydrophobicContact CG2-CG1 3.67Å
25	E	91	Very high	73	Confident	91 Å²	91	76 Å²	76	43%	0.425	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.8	174.8	-69.2	-172.2	-162.2	0	0	110.7	V97 Y98 I99	E25-V97 PolarHBondContact N-O 3.28Å; E25-Y98 HydrophobicContact CB-CD1 3.59Å; E25-Y98 HydrophobicContact CB-CE1 3.71Å; E25-Y98 HydrophobicContact CB-CG 4.46Å; E25-Y98 HydrophobicContact CG-CE1 4.24Å; E25-Y98 VanDerWaalsContact O-CA 3.31Å; E25-Y98 WeakPolarHBondContact O-CA 3.45Å; E25-Y98 WeakPolarHBondContact OE2-CE1 3.48Å; E25-I99 PolarHBondContact O-N 3.17Å
26	R	89.5	Confident	76	Confident	134 Å²	134	74.5 Å²	74.5	51%	0.506	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.8	177.5	-60.8	-167.3	178.8	-147.9	-0.7	110.8	V28 E70 I99	R26-V28 PolarHBondContact O-N 3.22Å; R26-E70 IonicContact CZ-OE1 2.67Å; R26-E70 IonicContact NH1-OE1 2.76Å; R26-E70 PolarHBondContact NH1-OE1 2.57Å; R26-E70 IonicContact NH1-OE2 2.85Å; R26-E70 IonicContact NH2-OE1 2.97Å; R26-E70 PolarHBondContact NH2-OE1 3.47Å; R26-I99 HydrophobicContact CG-CB 4.33Å
27	S	80.4	Confident	78.8	Confident	109 Å²	109	76.2 Å²	76.2	76%	0.762	41%	0.406	S	S	*	.	S	Bend	trans	67.4	11	173.8	-41	0	0	0	0	116.1	I99	S27-I99 PolarHBondContact N-O 2.94Å
28	V	89	Confident	81.4	Confident	53 Å²	53	70.4 Å²	70.4	32%	0.321	39%	0.388	S	S	.	.			trans	-100	130.3	168.7	179.5	0	0	0	0	107.4	R26 P30 I33 Y98 Y100	R26-V28 PolarHBondContact O-N 3.22Å; V28-P30 WeakPolarHBondContact O-CD 3.18Å; V28-I33 HydrophobicContact CG1-CD1 3.7Å; V28-Y98 HydrophobicContact CB-CD1 4.31Å; V28-Y98 HydrophobicContact CB-CE1 4.35Å; V28-Y98 HydrophobicContact CG1-CE1 4.23Å; V28-Y100 WeakPolarHBondContact O-CD2 3.26Å
29	N	91.7	Very high	84.1	Confident	33 Å²	33	67.7 Å²	67.7	18%	0.176	38%	0.377	C	S	.	.			trans	-74	113.8	174.9	-178.7	5.7	0	0	0	109.6	T31 D32 Y100	N29-T31 VanDerWaalsContact CG-OG1 3.25Å; N29-T31 PolarHBondContact ND2-OG1 2.7Å; N29-T31 PolarHBondContact O-N 3.16Å; N29-T31 PolarHBondContact OD1-N 3.48Å; N29-T31 PolarHBondContact OD1-OG1 3.17Å; N29-D32 PolarHBondContact ND2-OD1 3.35Å; N29-D32 WeakPolarHBondContact O-CB 3.42Å; N29-D32 PolarHBondContact O-N 3.45Å; N29-Y100 HydrophobicContact CB-CD1 4.41Å; N29-Y100 HydrophobicContact CB-CD2 4.33Å; N29-Y100 HydrophobicContact CB-CE1 3.95Å; N29-Y100 HydrophobicContact CB-CE2 3.86Å
30	P	94.3	Very high	85.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-63.8	-25.6	-176.1	-22.3	36.3	0	0	0	112.7	V28 D32 I33 W34 Y98 W105 Y107	V28-P30 WeakPolarHBondContact O-CD 3.18Å; P30-D32 PolarHBondContact O-N 3.33Å; P30-I33 PolarHBondContact O-N 3.49Å; P30-I33 VanDerWaalsContact O-N 3.09Å; P30-W34 PolarHBondContact O-N 2.89Å; P30-Y98 HydrophobicContact CB-CD2 4.18Å; P30-Y98 HydrophobicContact CB-CG 4.12Å; P30-Y98 VanDerWaalsContact CG-CB 3.46Å; P30-Y98 HydrophobicContact CG-CD1 4.17Å; P30-Y98 HydrophobicContact CG-CD2 4.24Å; P30-Y98 HydrophobicContact CG-CG 3.72Å; P30-W105 HydrophobicContact CB-CD2 4.2Å; P30-W105 HydrophobicContact CB-CE3 4.18Å; P30-W105 HydrophobicContact CB-CG 4.39Å; P30-W105 HydrophobicContact CG-CB 4.29Å; P30-W105 HydrophobicContact CG-CD2 3.95Å; P30-W105 HydrophobicContact CG-CE3 4.43Å; P30-W105 HydrophobicContact CG-CG 3.84Å; P30-Y107 HydrophobicContact CB-CE2 4.12Å; P30-Y107 WeakPolarHBondContact CB-OH 3.36Å
31	T	93.7	Very high	87.1	Confident	47 Å²	47	66.4 Å²	66.4	29%	0.288	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-70.4	-17.7	-179.1	64.1	0	0	0	0	113.9	N29 I33 W34 R54 W105	N29-T31 VanDerWaalsContact CG-OG1 3.25Å; N29-T31 PolarHBondContact ND2-OG1 2.7Å; N29-T31 PolarHBondContact O-N 3.16Å; N29-T31 PolarHBondContact OD1-N 3.48Å; N29-T31 PolarHBondContact OD1-OG1 3.17Å; T31-I33 VanDerWaalsContact C-N 3.27Å; T31-W34 CarbonylContact C-O 3.53Å; T31-W34 WeakPolarHBondContact CA-O 3.49Å; T31-R54 PolarHBondContact O-NE 2.73Å; T31-R54 PolarHBondContact O-NH2 3.02Å; T31-W105 HydrophobicContact CG2-CH2 4.11Å; T31-W105 HydrophobicContact CG2-CZ3 4.4Å
32	D	93.5	Very high	88.1	Confident	109 Å²	109	67.5 Å²	67.5	58%	0.583	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-75.1	-22.9	174.5	-63.2	-11.8	0	0	0	111.2	N29 P30 R54	N29-D32 PolarHBondContact ND2-OD1 3.35Å; N29-D32 WeakPolarHBondContact O-CB 3.42Å; N29-D32 PolarHBondContact O-N 3.45Å; P30-D32 PolarHBondContact O-N 3.33Å; D32-R54 VanDerWaalsContact O-CD 3.31Å; D32-R54 WeakPolarHBondContact O-CD 3.34Å
33	I	95.8	Very high	88	Confident	45 Å²	45	64.3 Å²	64.3	23%	0.231	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-37.9	-178.2	-58.1	171	0	0	0	110.9	V28 P30 T31 K53 R54 Y98	V28-I33 HydrophobicContact CG1-CD1 3.7Å; P30-I33 PolarHBondContact O-N 3.49Å; P30-I33 VanDerWaalsContact O-N 3.09Å; T31-I33 VanDerWaalsContact C-N 3.27Å; I33-K53 HydrophobicContact CG2-CG 4.2Å; I33-R54 WeakPolarHBondContact O-CB 3.4Å; I33-R54 WeakPolarHBondContact O-CG 2.83Å; I33-R54 PolarHBondContact O-N 2.96Å; I33-Y98 HydrophobicContact CD1-CE1 4.08Å
34	W	97.1	Very high	87.2	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.5	-175.1	-68.2	89.7	0	0	0	111.1	P30 T31 H52 K53 L58 A60 E96 Y98 Y107	P30-W34 PolarHBondContact O-N 2.89Å; T31-W34 CarbonylContact C-O 3.53Å; T31-W34 WeakPolarHBondContact CA-O 3.49Å; W34-H52 CarbonylContact C-O 3.47Å; W34-H52 WeakPolarHBondContact CA-O 3.38Å; W34-K53 HydrophobicContact CD2-CB 3.88Å; W34-K53 HydrophobicContact CD2-CG 4.23Å; W34-K53 HydrophobicContact CE3-CB 3.64Å; W34-K53 HydrophobicContact CE3-CG 4.48Å; W34-K53 HydrophobicContact CH2-CB 3.78Å; W34-K53 HydrophobicContact CH2-CD 4.19Å; W34-K53 HydrophobicContact CH2-CG 4.43Å; W34-K53 HydrophobicContact CZ2-CB 4Å; W34-K53 HydrophobicContact CZ2-CD 3.77Å; W34-K53 HydrophobicContact CZ2-CG 4.16Å; W34-K53 HydrophobicContact CZ3-CB 3.58Å; W34-L58 HydrophobicContact CH2-CD2 3.73Å; W34-L58 HydrophobicContact CH2-CG 4.07Å; W34-L58 HydrophobicContact CZ2-CD2 4.4Å; W34-A60 HydrophobicContact CE3-CB 4.29Å; W34-A60 HydrophobicContact CH2-CB 3.69Å; W34-A60 HydrophobicContact CZ3-CB 3.4Å; W34-E96 WeakPolarHBondContact CZ2-OE2 3.32Å; W34-E96 PolarHBondContact NE1-OE2 3.48Å; W34-Y98 AromaticContact NE1-CE2 3.95Å; W34-Y107 HydrophobicContact CB-CE1 3.51Å; W34-Y107 WeakPolarHBondContact CB-OH 3.26Å; W34-Y107 AromaticContact CD1-CE1 3.83Å; W34-Y107 AromaticContact CD1-CE2 3.89Å; W34-Y107 AromaticContact CD1-CZ 3.59Å; W34-Y107 AromaticContact CD2-CD1 3.52Å; W34-Y107 HydrophobicContact CD2-CD1 3.52Å; W34-Y107 AromaticContact CD2-CE1 3.4Å; W34-Y107 HydrophobicContact CD2-CE1 3.4Å; W34-Y107 VanDerWaalsContact CD2-CE1 3.4Å; W34-Y107 HydrophobicContact CD2-CG 4.19Å; W34-Y107 AromaticContact CE2-CD1 3.77Å; W34-Y107 AromaticContact CE2-CG 3.96Å; W34-Y107 AromaticContact CE3-CD1 3.67Å; W34-Y107 HydrophobicContact CE3-CD1 3.67Å; W34-Y107 AromaticContact CE3-CE1 3.75Å; W34-Y107 HydrophobicContact CE3-CE1 3.75Å; W34-Y107 AromaticContact CG-CD1 3.93Å; W34-Y107 HydrophobicContact CG-CD1 3.93Å; W34-Y107 AromaticContact CG-CE1 3.31Å; W34-Y107 HydrophobicContact CG-CE1 3.31Å; W34-Y107 HydrophobicContact CG-CE2 4.2Å; W34-Y107 AromaticContact CG-CZ 3.46Å; W34-Y107 VanDerWaalsContact CG-CZ 3.46Å; W34-Y107 HydrophobicContact CH2-CD1 4.27Å; W34-Y107 HydrophobicContact CZ2-CD1 4.15Å; W34-Y107 HydrophobicContact CZ2-CG 4.18Å; W34-Y107 HydrophobicContact CZ3-CD1 4.06Å
35	E	96.1	Very high	86	Confident	89 Å²	89	70.2 Å²	70.2	42%	0.416	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.5	172.9	-178.5	173.2	-162.8	0	0	110.6	T51 H52	E35-T51 CarbonylContact O-C 3.58Å; E35-T51 WeakPolarHBondContact O-CA 3.49Å; E35-T51 WeakPolarHBondContact O-CB 3.43Å; E35-H52 PolarHBondContact N-O 3.24Å; E35-H52 PolarHBondContact O-N 2.96Å
36	I	96	Very high	85	Confident	63 Å²	63	67 Å²	67	32%	0.323	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.5	173.5	-57.6	173.6	0	0	0	109	Y49 T51 L62 W105	I36-Y49 HydrophobicContact CG2-CD1 3.85Å; I36-Y49 HydrophobicContact CG2-CG 4.03Å; I36-T51 HydrophobicContact CG1-CG2 4.11Å; I36-L62 HydrophobicContact CD1-CD2 4.25Å; I36-L62 HydrophobicContact CG1-CD2 4.28Å; I36-W105 HydrophobicContact CD1-CH2 4.43Å; I36-W105 HydrophobicContact CD1-CZ3 4.04Å
37	I	92.4	Very high	84.8	Confident	84 Å²	84	64.1 Å²	64.1	43%	0.431	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-56.3	-175.6	-63.1	172.1	0	0	0	111.3	K50 H52 F59	I37-K50 HydrophobicContact CB-CG 4.5Å; I37-K50 WeakPolarHBondContact CB-O 3.46Å; I37-K50 HydrophobicContact CD1-CG 4.46Å; I37-K50 PolarHBondContact N-O 3.23Å; I37-H52 HydrophobicContact CD1-CB 3.6Å; I37-H52 HydrophobicContact CG1-CB 4.36Å; I37-F59 HydrophobicContact CD1-CD1 3.94Å; I37-F59 HydrophobicContact CD1-CE1 3.53Å
38	S	91.5	Very high	85.3	Confident	53 Å²	53	60.8 Å²	60.8	37%	0.371	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.9	-174.5	64	0	0	0	0	111.7	Y49 K50	S38-Y49 CarbonylContact O-C 3.55Å; S38-Y49 VanDerWaalsContact O-CA 3.27Å; S38-Y49 WeakPolarHBondContact O-CA 3.46Å; S38-Y49 WeakPolarHBondContact O-CB 3.36Å; S38-K50 PolarHBondContact N-O 3.37Å; S38-K50 PolarHBondContact O-N 3.39Å
39	E	91	Very high	85.6	Confident	98 Å²	98	59.5 Å²	59.5	46%	0.458	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.9	168.8	-166.5	168.3	148.4	0	0	109.2	K47 Y49	E39-K47 IonicContact OE1-NZ 3.52Å; E39-K47 PolarHBondContact OE1-NZ 3.25Å; E39-K47 VanDerWaalsContact OE1-NZ 3.11Å; E39-K47 IonicContact OE2-NZ 2.96Å; E39-K47 PolarHBondContact OE2-NZ 3.39Å; E39-Y49 HydrophobicContact CB-CD1 4.16Å; E39-Y49 HydrophobicContact CB-CE1 4.26Å; E39-Y49 HydrophobicContact CG-CD1 4.42Å; E39-Y49 HydrophobicContact CG-CE1 4.26Å
40	L	84.9	Confident	85.7	Confident	91 Å²	91	61.1 Å²	61.1	48%	0.476	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-35.2	175	-71.1	173.4	0	0	0	111.4	V48 K50 A61 L110	L40-V48 HydrophobicContact CB-CB 4.49Å; L40-V48 HydrophobicContact CB-CG1 4.25Å; L40-V48 HydrophobicContact CD1-CG1 4.23Å; L40-V48 PolarHBondContact N-O 3.31Å; L40-K50 HydrophobicContact CD1-CB 4.04Å; L40-K50 HydrophobicContact CD2-CB 4.02Å; L40-K50 HydrophobicContact CG-CB 3.94Å; L40-A61 HydrophobicContact CD1-CB 4.12Å; L40-L110 HydrophobicContact CD1-CD1 3.71Å
41	G	78.8	Confident	85.9	Confident	31 Å²	31	61.1 Å²	61.1	32%	0.32	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	171.8	179.2	0	0	0	0	0	113.3	V48	G41-V48 PolarHBondContact N-O 2.81Å; G41-V48 PolarHBondContact O-N 3Å
42	D	72.8	Confident	86.1	Confident	123 Å²	123	60.8 Å²	60.8	66%	0.658	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.6	177.1	-161.8	14.5	0	0	0	108.4
43	G	61.6	Low	86.2	Confident	39 Å²	39	57.8 Å²	57.8	40%	0.402	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	171.6	-179.7	0	0	0	0	0	112.1	F45 G46	G43-F45 PolarHBondContact O-N 2.89Å; G43-F45 VanDerWaalsContact O-N 3.17Å; G43-G46 WeakPolarHBondContact CA-O 3.38Å; G43-G46 PolarHBondContact N-O 3.28Å; G43-G46 PolarHBondContact O-N 2.88Å; G43-G46 VanDerWaalsContact O-N 3.14Å
44	A	61	Low	86.1	Confident	104 Å²	104	60.7 Å²	60.7	86%	0.86	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.1	-180	0	0	0	0	0	113.8
45	F	64	Low	85.9	Confident	78 Å²	78	68.7 Å²	68.7	34%	0.342	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.2	-178.1	-54.8	-75.5	0	0	0	113.6	G43 V65 F76 V176	G43-F45 PolarHBondContact O-N 2.89Å; G43-F45 VanDerWaalsContact O-N 3.17Å; F45-V65 WeakPolarHBondContact O-CG1 3.48Å; F45-V65 WeakPolarHBondContact O-CG2 3.15Å; F45-F76 HydrophobicContact CD1-CE1 4.27Å; F45-V176 HydrophobicContact CZ-CG1 4.46Å
46	G	70.7	Confident	85.8	Confident	22 Å²	22	67.1 Å²	67.1	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.6	-170.2	-180	0	0	0	0	0	114.1	G43	G43-G46 WeakPolarHBondContact CA-O 3.38Å; G43-G46 PolarHBondContact N-O 3.28Å; G43-G46 PolarHBondContact O-N 2.88Å; G43-G46 VanDerWaalsContact O-N 3.14Å
47	K	85.2	Confident	85.4	Confident	74 Å²	74	71.4 Å²	71.4	32%	0.322	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.7	-173	-69	-173.2	164.8	-137.1	0	112.4	E39 Y49 R64	E39-K47 IonicContact OE1-NZ 3.52Å; E39-K47 PolarHBondContact OE1-NZ 3.25Å; E39-K47 VanDerWaalsContact OE1-NZ 3.11Å; E39-K47 IonicContact OE2-NZ 2.96Å; E39-K47 PolarHBondContact OE2-NZ 3.39Å; K47-Y49 HydrophobicContact CB-CD2 4.38Å; K47-Y49 HydrophobicContact CB-CE2 3.48Å; K47-Y49 VanDerWaalsContact CB-CE2 3.48Å; K47-Y49 WeakPolarHBondContact CB-OH 3.26Å; K47-Y49 WeakPolarHBondContact CD-OH 3.32Å; K47-R64 PolarHBondContact O-N 2.87Å
48	V	90.6	Very high	85.6	Confident	40 Å²	40	70.3 Å²	70.3	24%	0.242	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.3	175	-172.4	0	0	0	0	109.8	L40 G41 A61 L62	L40-V48 HydrophobicContact CB-CB 4.49Å; L40-V48 HydrophobicContact CB-CG1 4.25Å; L40-V48 HydrophobicContact CD1-CG1 4.23Å; L40-V48 PolarHBondContact N-O 3.31Å; G41-V48 PolarHBondContact N-O 2.81Å; G41-V48 PolarHBondContact O-N 3Å; V48-A61 HydrophobicContact CG1-CB 4.19Å; V48-L62 CarbonylContact C-O 3.58Å; V48-L62 VanDerWaalsContact CA-O 3.23Å; V48-L62 WeakPolarHBondContact CA-O 3.1Å
49	Y	94.6	Very high	85.8	Confident	25 Å²	25	71.9 Å²	71.9	10%	0.098	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.6	-178.8	-55.4	-92.9	0	0	0	111.7	I36 S38 E39 K47 A61 L62 R64	I36-Y49 HydrophobicContact CG2-CD1 3.85Å; I36-Y49 HydrophobicContact CG2-CG 4.03Å; S38-Y49 CarbonylContact O-C 3.55Å; S38-Y49 VanDerWaalsContact O-CA 3.27Å; S38-Y49 WeakPolarHBondContact O-CA 3.46Å; S38-Y49 WeakPolarHBondContact O-CB 3.36Å; E39-Y49 HydrophobicContact CB-CD1 4.16Å; E39-Y49 HydrophobicContact CB-CE1 4.26Å; E39-Y49 HydrophobicContact CG-CD1 4.42Å; E39-Y49 HydrophobicContact CG-CE1 4.26Å; K47-Y49 HydrophobicContact CB-CD2 4.38Å; K47-Y49 HydrophobicContact CB-CE2 3.48Å; K47-Y49 VanDerWaalsContact CB-CE2 3.48Å; K47-Y49 WeakPolarHBondContact CB-OH 3.26Å; K47-Y49 WeakPolarHBondContact CD-OH 3.32Å; Y49-A61 CarbonylContact O-C 3.51Å; Y49-A61 WeakPolarHBondContact O-CA 3.45Å; Y49-L62 HydrophobicContact CD2-CD2 4.19Å; Y49-L62 HydrophobicContact CD2-CG 4.41Å; Y49-L62 PolarHBondContact N-O 3.23Å; Y49-L62 PolarHBondContact O-N 3.02Å; Y49-R64 HydrophobicContact CE2-CB 4.45Å; Y49-R64 PolarHBondContact OH-NH2 2.91Å
50	K	95.4	Very high	86.1	Confident	68 Å²	68	67.2 Å²	67.2	30%	0.296	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.2	163	-175.7	176.4	178.5	177.3	0	108.3	I37 S38 L40 L110	I37-K50 HydrophobicContact CB-CG 4.5Å; I37-K50 WeakPolarHBondContact CB-O 3.46Å; I37-K50 HydrophobicContact CD1-CG 4.46Å; I37-K50 PolarHBondContact N-O 3.23Å; S38-K50 PolarHBondContact N-O 3.37Å; S38-K50 PolarHBondContact O-N 3.39Å; L40-K50 HydrophobicContact CD1-CB 4.04Å; L40-K50 HydrophobicContact CD2-CB 4.02Å; L40-K50 HydrophobicContact CG-CB 3.94Å; K50-L110 HydrophobicContact CD-CD2 4.22Å; K50-L110 HydrophobicContact CG-CD2 4.09Å
51	T	97.6	Very high	86.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.7	178.7	59	0	0	0	0	111.5	E35 I36 F59 A60 L62 Y107	E35-T51 CarbonylContact O-C 3.58Å; E35-T51 WeakPolarHBondContact O-CA 3.49Å; E35-T51 WeakPolarHBondContact O-CB 3.43Å; I36-T51 HydrophobicContact CG1-CG2 4.11Å; T51-F59 CarbonylContact O-C 3.6Å; T51-F59 VanDerWaalsContact O-CA 3.31Å; T51-F59 WeakPolarHBondContact O-CA 3.47Å; T51-A60 PolarHBondContact N-O 3.37Å; T51-A60 PolarHBondContact O-N 3Å; T51-A60 PolarHBondContact OG1-O 3.45Å; T51-L62 HydrophobicContact CG2-CB 3.47Å; T51-L62 VanDerWaalsContact CG2-CB 3.47Å; T51-L62 HydrophobicContact CG2-CD2 3.91Å; T51-L62 HydrophobicContact CG2-CG 4.34Å; T51-Y107 HydrophobicContact CG2-CE1 4.05Å; T51-Y107 WeakPolarHBondContact OG1-CD1 3.35Å
52	H	96.8	Very high	87.5	Confident	40 Å²	40	62 Å²	62	19%	0.185	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.8	176.2	170.4	-103	0	0	0	109.6	W34 E35 I37 R54 T56 L58 F59	W34-H52 CarbonylContact C-O 3.47Å; W34-H52 WeakPolarHBondContact CA-O 3.38Å; E35-H52 PolarHBondContact N-O 3.24Å; E35-H52 PolarHBondContact O-N 2.96Å; I37-H52 HydrophobicContact CD1-CB 3.6Å; I37-H52 HydrophobicContact CG1-CB 4.36Å; H52-R54 PolarHBondContact O-N 3.47Å; H52-T56 PolarHBondContact CE1-O 3.42Å; H52-T56 PolarHBondContact NE2-O 3.5Å; H52-L58 WeakPolarHBondContact CA-O 3.47Å; H52-F59 HydrophobicContact CB-CD1 4Å; H52-F59 HydrophobicContact CB-CE1 3.9Å; H52-F59 AromaticContact CD2-CE1 3.86Å; H52-F59 AromaticContact CD2-CE2 3.94Å; H52-F59 AromaticContact CD2-CZ 3.71Å
53	K	97.2	Very high	88.4	Confident	45 Å²	45	57.1 Å²	57.1	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.5	178.3	-174.1	170.9	-172.4	173.1	0	109.2	I33 W34 N55 T56 L58 E96	I33-K53 HydrophobicContact CG2-CG 4.2Å; W34-K53 HydrophobicContact CD2-CB 3.88Å; W34-K53 HydrophobicContact CD2-CG 4.23Å; W34-K53 HydrophobicContact CE3-CB 3.64Å; W34-K53 HydrophobicContact CE3-CG 4.48Å; W34-K53 HydrophobicContact CH2-CB 3.78Å; W34-K53 HydrophobicContact CH2-CD 4.19Å; W34-K53 HydrophobicContact CH2-CG 4.43Å; W34-K53 HydrophobicContact CZ2-CB 4Å; W34-K53 HydrophobicContact CZ2-CD 3.77Å; W34-K53 HydrophobicContact CZ2-CG 4.16Å; W34-K53 HydrophobicContact CZ3-CB 3.58Å; K53-N55 PolarHBondContact O-N 2.79Å; K53-T56 WeakPolarHBondContact CB-OG1 3.27Å; K53-T56 HydrophobicContact CD-CG2 4.3Å; K53-T56 HydrophobicContact CG-CG2 4.39Å; K53-T56 PolarHBondContact O-N 3.33Å; K53-T56 PolarHBondContact O-OG1 2.94Å; K53-L58 HydrophobicContact CB-CB 4.24Å; K53-L58 HydrophobicContact CD-CD2 4.4Å; K53-L58 PolarHBondContact N-O 3.1Å; K53-E96 IonicContact NZ-OE1 3.83Å; K53-E96 PolarHBondContact NZ-OE1 3.34Å; K53-E96 IonicContact NZ-OE2 3.93Å
54	R	93.6	Very high	89.8	Confident	106 Å²	106	58.2 Å²	58.2	40%	0.4	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	138.6	-178.5	-63.1	-179.2	-170.9	-79.8	1.9	109.8	T31 D32 I33 H52 T56	T31-R54 PolarHBondContact O-NE 2.73Å; T31-R54 PolarHBondContact O-NH2 3.02Å; D32-R54 VanDerWaalsContact O-CD 3.31Å; D32-R54 WeakPolarHBondContact O-CD 3.34Å; I33-R54 WeakPolarHBondContact O-CB 3.4Å; I33-R54 WeakPolarHBondContact O-CG 2.83Å; I33-R54 PolarHBondContact O-N 2.96Å; H52-R54 PolarHBondContact O-N 3.47Å; R54-T56 PolarHBondContact O-N 3.41Å
55	N	91.4	Very high	91.1	Very high	170 Å²	170	53.6 Å²	53.6	91%	0.909	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	11.2	-179.5	-45	-47.4	0	0	0	115.6	K53	K53-N55 PolarHBondContact O-N 2.79Å
56	T	93.9	Very high	92.2	Very high	55 Å²	55	55.1 Å²	55.1	34%	0.337	28%	0.275	S	S	.	.	S	Bend	trans	-131.5	164.5	167.3	76.2	0	0	0	0	108.7	H52 K53 R54 L58	H52-T56 PolarHBondContact CE1-O 3.42Å; H52-T56 PolarHBondContact NE2-O 3.5Å; K53-T56 WeakPolarHBondContact CB-OG1 3.27Å; K53-T56 HydrophobicContact CD-CG2 4.3Å; K53-T56 HydrophobicContact CG-CG2 4.39Å; K53-T56 PolarHBondContact O-N 3.33Å; K53-T56 PolarHBondContact O-OG1 2.94Å; R54-T56 PolarHBondContact O-N 3.41Å; T56-L58 PolarHBondContact O-N 3.46Å; T56-L58 WeakPolarHBondContact OG1-CB 3.42Å; T56-L58 PolarHBondContact OG1-N 3.48Å
57	D	89.4	Confident	92.9	Very high	154 Å²	154	54.9 Å²	54.9	82%	0.824	27%	0.268	S	S	*	.			trans	-87.8	18.6	175.3	-59.8	-47.3	0	0	0	112.3	F59	D57-F59 PolarHBondContact O-N 2.95Å
58	L	95.6	Very high	92.7	Very high	60 Å²	60	60 Å²	60	31%	0.314	29%	0.294	S	S	.	.			trans	-85.1	118	-172.3	-177.4	64.1	0	0	0	111.1	W34 H52 K53 T56	W34-L58 HydrophobicContact CH2-CD2 3.73Å; W34-L58 HydrophobicContact CH2-CG 4.07Å; W34-L58 HydrophobicContact CZ2-CD2 4.4Å; H52-L58 WeakPolarHBondContact CA-O 3.47Å; K53-L58 HydrophobicContact CB-CB 4.24Å; K53-L58 HydrophobicContact CD-CD2 4.4Å; K53-L58 PolarHBondContact N-O 3.1Å; T56-L58 PolarHBondContact O-N 3.46Å; T56-L58 WeakPolarHBondContact OG1-CB 3.42Å; T56-L58 PolarHBondContact OG1-N 3.48Å
59	F	96.5	Very high	92.1	Very high	87 Å²	87	60.2 Å²	60.2	38%	0.382	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.1	168	-68	-90.4	0	0	0	111.2	I37 T51 H52 D57 L110	I37-F59 HydrophobicContact CD1-CD1 3.94Å; I37-F59 HydrophobicContact CD1-CE1 3.53Å; T51-F59 CarbonylContact O-C 3.6Å; T51-F59 VanDerWaalsContact O-CA 3.31Å; T51-F59 WeakPolarHBondContact O-CA 3.47Å; H52-F59 HydrophobicContact CB-CD1 4Å; H52-F59 HydrophobicContact CB-CE1 3.9Å; H52-F59 AromaticContact CD2-CE1 3.86Å; H52-F59 AromaticContact CD2-CE2 3.94Å; H52-F59 AromaticContact CD2-CZ 3.71Å; D57-F59 PolarHBondContact O-N 2.95Å; F59-L110 HydrophobicContact CB-CD2 3.77Å
60	A	97.5	Very high	91.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	161.2	178.3	0	0	0	0	0	111.4	W34 T51 Y107 L108	W34-A60 HydrophobicContact CE3-CB 4.29Å; W34-A60 HydrophobicContact CH2-CB 3.69Å; W34-A60 HydrophobicContact CZ3-CB 3.4Å; T51-A60 PolarHBondContact N-O 3.37Å; T51-A60 PolarHBondContact O-N 3Å; T51-A60 PolarHBondContact OG1-O 3.45Å; A60-Y107 HydrophobicContact CB-CD1 4.19Å; A60-L108 CarbonylContact C-O 3.47Å; A60-L108 VanDerWaalsContact CA-O 3.25Å; A60-L108 WeakPolarHBondContact CA-O 3.43Å; A60-L108 VanDerWaalsContact CB-O 3.25Å; A60-L108 WeakPolarHBondContact CB-O 3.17Å
61	A	96.1	Very high	90.3	Very high	13 Å²	13	65.9 Å²	65.9	11%	0.107	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.4	164.2	0	0	0	0	0	108.9	L40 V48 Y49 L108 L110	L40-A61 HydrophobicContact CD1-CB 4.12Å; V48-A61 HydrophobicContact CG1-CB 4.19Å; Y49-A61 CarbonylContact O-C 3.51Å; Y49-A61 WeakPolarHBondContact O-CA 3.45Å; A61-L108 PolarHBondContact N-O 2.94Å; A61-L108 PolarHBondContact O-N 3.48Å; A61-L110 HydrophobicContact CB-CD1 4.19Å
62	L	95.8	Very high	89.2	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.7	175.3	166.5	63.9	0	0	0	109.8	I36 V48 Y49 T51 R64 W105 I106 Y107	I36-L62 HydrophobicContact CD1-CD2 4.25Å; I36-L62 HydrophobicContact CG1-CD2 4.28Å; V48-L62 CarbonylContact C-O 3.58Å; V48-L62 VanDerWaalsContact CA-O 3.23Å; V48-L62 WeakPolarHBondContact CA-O 3.1Å; Y49-L62 HydrophobicContact CD2-CD2 4.19Å; Y49-L62 HydrophobicContact CD2-CG 4.41Å; Y49-L62 PolarHBondContact N-O 3.23Å; Y49-L62 PolarHBondContact O-N 3.02Å; T51-L62 HydrophobicContact CG2-CB 3.47Å; T51-L62 VanDerWaalsContact CG2-CB 3.47Å; T51-L62 HydrophobicContact CG2-CD2 3.91Å; T51-L62 HydrophobicContact CG2-CG 4.34Å; L62-R64 HydrophobicContact CD1-CB 4.4Å; L62-R64 HydrophobicContact CG-CB 4.29Å; L62-W105 HydrophobicContact CD1-CB 3.87Å; L62-W105 HydrophobicContact CD1-CD2 4.32Å; L62-W105 HydrophobicContact CD1-CE3 3.65Å; L62-W105 HydrophobicContact CD1-CG 4.46Å; L62-W105 HydrophobicContact CD2-CE3 3.43Å; L62-W105 VanDerWaalsContact CD2-CE3 3.43Å; L62-W105 HydrophobicContact CD2-CZ3 3.49Å; L62-W105 VanDerWaalsContact CD2-CZ3 3.49Å; L62-W105 HydrophobicContact CG-CE3 4.14Å; L62-I106 WeakPolarHBondContact CA-O 3.5Å; L62-Y107 HydrophobicContact CB-CD1 4.24Å; L62-Y107 HydrophobicContact CB-CE1 4.09Å; L62-Y107 HydrophobicContact CD1-CD1 4.4Å; L62-Y107 HydrophobicContact CD1-CD2 4.42Å; L62-Y107 HydrophobicContact CD1-CE1 4.08Å; L62-Y107 HydrophobicContact CD1-CE2 4.08Å; L62-Y107 HydrophobicContact CD2-CE1 4.46Å; L62-Y107 HydrophobicContact CG-CE1 4.42Å
63	K	92.5	Very high	88.3	Confident	20 Å²	20	67.9 Å²	67.9	9%	0.087	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.5	163.4	-175.7	-179.4	-176.5	-176.6	0	107.5	V65 E79 I106 L108 D173	K63-V65 HydrophobicContact CG-CG2 4.28Å; K63-E79 VanDerWaalsContact NZ-CD 3.35Å; K63-E79 IonicContact NZ-OE1 2.62Å; K63-E79 PolarHBondContact NZ-OE1 3.22Å; K63-E79 VanDerWaalsContact NZ-OE1 3.09Å; K63-E79 IonicContact NZ-OE2 3.47Å; K63-E79 PolarHBondContact NZ-OE2 3.21Å; K63-I106 HydrophobicContact CB-CB 4.32Å; K63-I106 PolarHBondContact N-O 3.07Å; K63-I106 PolarHBondContact O-N 2.87Å; K63-L108 HydrophobicContact CB-CD1 4.37Å; K63-D173 IonicContact NZ-OD1 3.39Å
64	R	91.2	Very high	87.2	Confident	62 Å²	62	72 Å²	72	23%	0.234	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.3	179.5	-170.7	178.5	71.4	-152.2	-1.7	110.3	K47 Y49 L62 L104 W105	K47-R64 PolarHBondContact O-N 2.87Å; Y49-R64 HydrophobicContact CE2-CB 4.45Å; Y49-R64 PolarHBondContact OH-NH2 2.91Å; L62-R64 HydrophobicContact CD1-CB 4.4Å; L62-R64 HydrophobicContact CG-CB 4.29Å; R64-L104 WeakPolarHBondContact CA-O 3.24Å; R64-W105 HydrophobicContact CG-CD2 4.15Å; R64-W105 HydrophobicContact CG-CE3 4.38Å; R64-W105 HydrophobicContact CG-CZ2 4.42Å
65	V	88	Confident	86.2	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.036	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.4	-176.2	-172	0	0	0	0	109.7	F45 K63 F76 K103 L104	F45-V65 WeakPolarHBondContact O-CG1 3.48Å; F45-V65 WeakPolarHBondContact O-CG2 3.15Å; K63-V65 HydrophobicContact CG-CG2 4.28Å; V65-F76 HydrophobicContact CB-CE1 4.49Å; V65-F76 HydrophobicContact CG1-CE1 3.79Å; V65-F76 HydrophobicContact CG1-CE2 4.04Å; V65-F76 HydrophobicContact CG1-CZ 3.46Å; V65-F76 VanDerWaalsContact CG1-CZ 3.46Å; V65-F76 HydrophobicContact CG2-CE1 4.27Å; V65-K103 CarbonylContact O-C 3.58Å; V65-K103 WeakPolarHBondContact O-CA 3.28Å; V65-L104 HydrophobicContact CB-CB 4.4Å; V65-L104 PolarHBondContact N-O 3.23Å; V65-L104 PolarHBondContact O-N 2.96Å
66	D	87.7	Confident	85.7	Confident	110 Å²	110	66 Å²	66	59%	0.588	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.2	172.5	-60.5	-29.2	0	0	0	108.7	K103	D66-K103 WeakPolarHBondContact OD1-CD 3.24Å; D66-K103 WeakPolarHBondContact OD1-CE 3.28Å; D66-K103 WeakPolarHBondContact OD1-CG 3.38Å
67	F	84.1	Confident	85.3	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.079	32%	0.324	C	S	.	.			trans	-137	145.9	176.3	65.5	-92.6	0	0	0	111.2	S69 E72 L73 I99 S102 L104	F67-S69 WeakPolarHBondContact CD2-O 3.49Å; F67-E72 HydrophobicContact CB-CB 4.46Å; F67-L73 HydrophobicContact CD1-CD1 4.38Å; F67-L73 HydrophobicContact CD2-CB 4.49Å; F67-L73 HydrophobicContact CE1-CD1 4.26Å; F67-I99 HydrophobicContact CE1-CG2 4.12Å; F67-I99 HydrophobicContact CZ-CG2 3.73Å; F67-S102 WeakPolarHBondContact CD1-O 3.45Å; F67-S102 VanDerWaalsContact CE1-C 3.5Å; F67-S102 PolarHBondContact N-O 3.35Å; F67-S102 VanDerWaalsContact N-O 3.13Å; F67-L104 HydrophobicContact CD1-CB 4.17Å; F67-L104 HydrophobicContact CE1-CB 4.23Å
68	E	81.2	Confident	85	Confident	182 Å²	182	59.9 Å²	59.9	85%	0.85	30%	0.297	S	S	*	.	S	Bend	trans	-97.2	-27.1	-176	-64	-171.9	177	0	0	112.9	E72	E68-E72 PolarHBondContact N-OE2 2.95Å
69	S	78.9	Confident	84.6	Confident	44 Å²	44	57.2 Å²	57.2	31%	0.308	28%	0.283	S	S	.	.	S	Bend	trans	-138.8	159.5	-176.6	72.2	0	0	0	0	112.8	F67 D71 E72 L73	F67-S69 WeakPolarHBondContact CD2-O 3.49Å; S69-D71 PolarHBondContact O-N 2.98Å; S69-E72 PolarHBondContact O-N 3.02Å; S69-E72 PolarHBondContact OG-N 3.44Å; S69-L73 PolarHBondContact O-N 3.5Å
70	E	78.4	Confident	84.3	Confident	92 Å²	92	53.1 Å²	53.1	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-68	-20.8	174.5	-159.6	81.8	-179.4	0	0	111.7	R26 L73 E74	R26-E70 IonicContact CZ-OE1 2.67Å; R26-E70 IonicContact NH1-OE1 2.76Å; R26-E70 PolarHBondContact NH1-OE1 2.57Å; R26-E70 IonicContact NH1-OE2 2.85Å; R26-E70 IonicContact NH2-OE1 2.97Å; R26-E70 PolarHBondContact NH2-OE1 3.47Å; E70-L73 WeakPolarHBondContact O-CB 3.49Å; E70-L73 PolarHBondContact O-N 3.01Å; E70-E74 PolarHBondContact O-N 3.44Å
71	D	72.9	Confident	83.9	Confident	120 Å²	120	54.6 Å²	54.6	64%	0.642	27%	0.273	S	S	*	.	H	α-helix	trans	-73.1	-39.9	177.6	-60.5	-19.2	0	0	0	110.7	S69 L73 E74	S69-D71 PolarHBondContact O-N 2.98Å; D71-L73 PolarHBondContact O-N 3.11Å; D71-E74 WeakPolarHBondContact O-CB 3.31Å; D71-E74 PolarHBondContact O-N 3.41Å; D71-E74 VanDerWaalsContact O-N 3.14Å
72	E	73.8	Confident	83.5	Confident	77 Å²	77	54 Å²	54	36%	0.36	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-31	171.4	-73.7	175.3	-174.2	0	0	112.3	F67 E68 S69 E74 D75 F76	F67-E72 HydrophobicContact CB-CB 4.46Å; E68-E72 PolarHBondContact N-OE2 2.95Å; S69-E72 PolarHBondContact O-N 3.02Å; S69-E72 PolarHBondContact OG-N 3.44Å; E72-E74 PolarHBondContact O-N 2.78Å; E72-D75 PolarHBondContact O-N 3.48Å; E72-F76 VanDerWaalsContact O-CD2 3.28Å; E72-F76 WeakPolarHBondContact O-CD2 3.26Å; E72-F76 WeakPolarHBondContact O-CE2 3.42Å
73	L	77.9	Confident	83.4	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-31	176.6	-177.2	66.3	0	0	0	111.5	F67 S69 E70 D71 D75 F76 M77 I99 L104	F67-L73 HydrophobicContact CD1-CD1 4.38Å; F67-L73 HydrophobicContact CD2-CB 4.49Å; F67-L73 HydrophobicContact CE1-CD1 4.26Å; S69-L73 PolarHBondContact O-N 3.5Å; E70-L73 WeakPolarHBondContact O-CB 3.49Å; E70-L73 PolarHBondContact O-N 3.01Å; D71-L73 PolarHBondContact O-N 3.11Å; L73-D75 VanDerWaalsContact C-N 3.25Å; L73-D75 PolarHBondContact O-N 3.28Å; L73-F76 PolarHBondContact O-N 3.29Å; L73-F76 VanDerWaalsContact O-N 3.17Å; L73-M77 HydrophobicContact CD1-CE 3.65Å; L73-M77 HydrophobicContact CG-CE 3.81Å; L73-M77 WeakPolarHBondContact O-CE 3.33Å; L73-M77 WeakPolarHBondContact O-CG 3.34Å; L73-M77 PolarHBondContact O-N 3.12Å; L73-I99 HydrophobicContact CD1-CD1 4.16Å; L73-I99 HydrophobicContact CD2-CD1 3.56Å; L73-I99 HydrophobicContact CG-CD1 4.49Å; L73-L104 HydrophobicContact CD1-CB 4.5Å; L73-L104 HydrophobicContact CD1-CD1 4.12Å; L73-L104 HydrophobicContact CD1-CD2 4.03Å; L73-L104 HydrophobicContact CD1-CG 4.45Å
74	E	75.2	Confident	83.4	Confident	131 Å²	131	55 Å²	55	61%	0.612	28%	0.276	S	S	*	.	H	α-helix	trans	-60.3	-33.6	178.9	-63	-167.5	160.6	0	0	112.4	E70 D71 E72 F76 M77	E70-E74 PolarHBondContact O-N 3.44Å; D71-E74 WeakPolarHBondContact O-CB 3.31Å; D71-E74 PolarHBondContact O-N 3.41Å; D71-E74 VanDerWaalsContact O-N 3.14Å; E72-E74 PolarHBondContact O-N 2.78Å; E74-F76 VanDerWaalsContact C-N 3.28Å; E74-F76 PolarHBondContact O-N 3.17Å; E74-M77 WeakPolarHBondContact O-CB 3.45Å; E74-M77 PolarHBondContact O-N 3.48Å; E74-M77 VanDerWaalsContact O-N 3.11Å
75	D	71.8	Confident	83.3	Confident	122 Å²	122	56.2 Å²	56.2	65%	0.652	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-33.8	178.3	-70.9	-24.1	0	0	0	112.1	E72 L73	E72-D75 PolarHBondContact O-N 3.48Å; L73-D75 VanDerWaalsContact C-N 3.25Å; L73-D75 PolarHBondContact O-N 3.28Å
76	F	81.9	Confident	83.5	Confident	29 Å²	29	57.7 Å²	57.7	13%	0.127	29%	0.293	C	S	.	.	H	α-helix	trans	-81	-18.7	176.2	-58.8	-76.7	0	0	0	113.3	F45 V65 E72 L73 E74 L78 E79 I80 L104	F45-F76 HydrophobicContact CD1-CE1 4.27Å; V65-F76 HydrophobicContact CB-CE1 4.49Å; V65-F76 HydrophobicContact CG1-CE1 3.79Å; V65-F76 HydrophobicContact CG1-CE2 4.04Å; V65-F76 HydrophobicContact CG1-CZ 3.46Å; V65-F76 VanDerWaalsContact CG1-CZ 3.46Å; V65-F76 HydrophobicContact CG2-CE1 4.27Å; E72-F76 VanDerWaalsContact O-CD2 3.28Å; E72-F76 WeakPolarHBondContact O-CD2 3.26Å; E72-F76 WeakPolarHBondContact O-CE2 3.42Å; L73-F76 PolarHBondContact O-N 3.29Å; L73-F76 VanDerWaalsContact O-N 3.17Å; E74-F76 VanDerWaalsContact C-N 3.28Å; E74-F76 PolarHBondContact O-N 3.17Å; F76-L78 PolarHBondContact O-N 3.41Å; F76-E79 PolarHBondContact O-N 3.32Å; F76-I80 PolarHBondContact O-N 3.49Å; F76-L104 HydrophobicContact CB-CD2 3.52Å; F76-L104 HydrophobicContact CD1-CD2 4.37Å; F76-L104 HydrophobicContact CD2-CD2 4.26Å; F76-L104 HydrophobicContact CG-CD2 3.79Å
77	M	84.6	Confident	83.8	Confident	29 Å²	29	60.1 Å²	60.1	14%	0.143	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-29.4	-177.5	-67.7	-58	93.3	0	0	112.2	F20 I24 L73 E74 I80 D81	F20-M77 HydrophobicContact CD1-SD 4.24Å; F20-M77 HydrophobicContact CE1-CB 4.12Å; I24-M77 HydrophobicContact CD1-CE 3.85Å; I24-M77 HydrophobicContact CD1-SD 3.55Å; I24-M77 VanDerWaalsContact CD1-SD 3.55Å; L73-M77 HydrophobicContact CD1-CE 3.65Å; L73-M77 HydrophobicContact CG-CE 3.81Å; L73-M77 WeakPolarHBondContact O-CE 3.33Å; L73-M77 WeakPolarHBondContact O-CG 3.34Å; L73-M77 PolarHBondContact O-N 3.12Å; E74-M77 WeakPolarHBondContact O-CB 3.45Å; E74-M77 PolarHBondContact O-N 3.48Å; E74-M77 VanDerWaalsContact O-N 3.11Å; M77-I80 HydrophobicContact CE-CD1 3.54Å; M77-I80 PolarHBondContact O-N 3.25Å; M77-D81 WeakPolarHBondContact O-CB 3.38Å; M77-D81 PolarHBondContact O-N 3.14Å
78	L	82.7	Confident	84.4	Confident	51 Å²	51	61.8 Å²	61.8	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-66.5	-43.3	178.3	-176	60.4	0	0	0	112.3	F76 D81 I82 S177 K179	F76-L78 PolarHBondContact O-N 3.41Å; L78-D81 PolarHBondContact O-N 3.48Å; L78-I82 HydrophobicContact CD1-CD1 4.19Å; L78-I82 HydrophobicContact CD1-CG1 4.45Å; L78-I82 HydrophobicContact CG-CD1 4.12Å; L78-I82 VanDerWaalsContact O-CG1 3.3Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.21Å; L78-S177 WeakPolarHBondContact CD2-O 3.5Å; L78-K179 HydrophobicContact CD1-CD 4.21Å; L78-K179 HydrophobicContact CD1-CG 4.08Å
79	E	88.2	Confident	85.2	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-47.9	175.3	171.7	168.5	-146.9	0	0	110.6	K63 F76 D81 I82 L83 F174	K63-E79 VanDerWaalsContact NZ-CD 3.35Å; K63-E79 IonicContact NZ-OE1 2.62Å; K63-E79 PolarHBondContact NZ-OE1 3.22Å; K63-E79 VanDerWaalsContact NZ-OE1 3.09Å; K63-E79 IonicContact NZ-OE2 3.47Å; K63-E79 PolarHBondContact NZ-OE2 3.21Å; F76-E79 PolarHBondContact O-N 3.32Å; E79-D81 PolarHBondContact O-N 2.86Å; E79-I82 PolarHBondContact O-N 3.04Å; E79-L83 HydrophobicContact CG-CD1 3.91Å; E79-L83 WeakPolarHBondContact O-CG 3.48Å; E79-L83 PolarHBondContact O-N 2.96Å; E79-F174 HydrophobicContact CB-CB 4.32Å; E79-F174 HydrophobicContact CG-CB 4.1Å
80	I	89.9	Confident	86.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-43.8	178.6	-71.8	160.3	0	0	0	111.2	F76 M77 L83 T84 L94 V97 L104 I106	F76-I80 PolarHBondContact O-N 3.49Å; M77-I80 HydrophobicContact CE-CD1 3.54Å; M77-I80 PolarHBondContact O-N 3.25Å; I80-L83 PolarHBondContact O-N 2.79Å; I80-T84 WeakPolarHBondContact O-CB 3.39Å; I80-T84 PolarHBondContact O-N 3.03Å; I80-T84 PolarHBondContact O-OG1 3.04Å; I80-L94 HydrophobicContact CG2-CD2 4.18Å; I80-V97 HydrophobicContact CD1-CG1 3.84Å; I80-V97 HydrophobicContact CD1-CG2 4.36Å; I80-V97 HydrophobicContact CG1-CG2 4.18Å; I80-V97 HydrophobicContact CG2-CG2 4.16Å; I80-L104 HydrophobicContact CD1-CD1 4.13Å; I80-L104 HydrophobicContact CD1-CD2 4.06Å; I80-I106 HydrophobicContact CD1-CD1 4.21Å; I80-I106 HydrophobicContact CD1-CG1 4.47Å; I80-I106 HydrophobicContact CG1-CD1 4.26Å
81	D	88.6	Confident	87	Confident	32 Å²	32	51 Å²	51	17%	0.171	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-45.4	177.7	-179.7	8.4	0	0	0	111.5	F20 M77 L78 E79 T84 N85 K179	F20-D81 HydrophobicContact CE1-CB 3.89Å; F20-D81 HydrophobicContact CZ-CB 4.07Å; M77-D81 WeakPolarHBondContact O-CB 3.38Å; M77-D81 PolarHBondContact O-N 3.14Å; L78-D81 PolarHBondContact O-N 3.48Å; E79-D81 PolarHBondContact O-N 2.86Å; D81-T84 PolarHBondContact O-N 2.78Å; D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-N 3.01Å; D81-N85 VanDerWaalsContact O-N 3.12Å; D81-N85 PolarHBondContact O-ND2 2.86Å; D81-N85 PolarHBondContact OD1-ND2 3.02Å; D81-K179 IonicContact OD1-NZ 3.85Å; D81-K179 PolarHBondContact OD1-NZ 2.97Å; D81-K179 WeakPolarHBondContact OD2-CE 3.45Å; D81-K179 IonicContact OD2-NZ 2.6Å; D81-K179 PolarHBondContact OD2-NZ 3.47Å
82	I	89	Confident	88.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-53.3	178.1	-70.6	167.2	0	0	0	110.4	L78 E79 T84 N85 F86 I151 F174 S177	L78-I82 HydrophobicContact CD1-CD1 4.19Å; L78-I82 HydrophobicContact CD1-CG1 4.45Å; L78-I82 HydrophobicContact CG-CD1 4.12Å; L78-I82 VanDerWaalsContact O-CG1 3.3Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 3.21Å; E79-I82 PolarHBondContact O-N 3.04Å; I82-T84 VanDerWaalsContact C-N 3.28Å; I82-T84 PolarHBondContact O-N 3.38Å; I82-N85 PolarHBondContact O-N 3.31Å; I82-F86 HydrophobicContact CB-CD2 4.43Å; I82-F86 HydrophobicContact CG2-CD2 4.25Å; I82-F86 WeakPolarHBondContact O-CB 3.45Å; I82-F86 VanDerWaalsContact O-CD2 3.29Å; I82-F86 WeakPolarHBondContact O-CD2 3.33Å; I82-F86 PolarHBondContact O-N 3.46Å; I82-I151 HydrophobicContact CD1-CG2 4.01Å; I82-I151 HydrophobicContact CG1-CD1 4.3Å; I82-I151 HydrophobicContact CG2-CD1 4.24Å; I82-F174 HydrophobicContact CD1-CB 4.41Å; I82-F174 HydrophobicContact CG2-CD1 3.82Å; I82-F174 HydrophobicContact CG2-CE1 4.25Å; I82-F174 HydrophobicContact CG2-CG 4.13Å; I82-S177 VanDerWaalsContact CD1-CB 3.49Å
83	L	92.7	Very high	89.1	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-27.7	-176.1	-65.6	174.2	0	0	0	113.5	E79 I80 I91 L92 L94 L108 F174	E79-L83 HydrophobicContact CG-CD1 3.91Å; E79-L83 WeakPolarHBondContact O-CG 3.48Å; E79-L83 PolarHBondContact O-N 2.96Å; I80-L83 PolarHBondContact O-N 2.79Å; L83-I91 HydrophobicContact CD2-CG2 4.28Å; L83-L92 VanDerWaalsContact CD2-O 3.24Å; L83-L92 WeakPolarHBondContact CD2-O 3.44Å; L83-L94 HydrophobicContact CB-CB 3.67Å; L83-L94 HydrophobicContact CB-CD2 4.21Å; L83-L94 HydrophobicContact CD1-CB 4.49Å; L83-L108 HydrophobicContact CD1-CD2 3.71Å; L83-F174 HydrophobicContact CD1-CD2 4.4Å; L83-F174 HydrophobicContact CD2-CD2 3.47Å; L83-F174 VanDerWaalsContact CD2-CD2 3.47Å; L83-F174 HydrophobicContact CD2-CE2 3.48Å; L83-F174 VanDerWaalsContact CD2-CE2 3.48Å; L83-F174 HydrophobicContact CD2-CG 4.44Å; L83-F174 HydrophobicContact CD2-CZ 4.44Å; L83-F174 HydrophobicContact CG-CD2 3.98Å; L83-F174 HydrophobicContact CG-CE2 4.46Å
84	T	92.5	Very high	90	Very high	35 Å²	35	45.2 Å²	45.2	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-45.4	176	-59.4	0	0	0	0	111.4	T23 I80 D81 I82 L94	T23-T84 HydrophobicContact CG2-CG2 3.98Å; I80-T84 WeakPolarHBondContact O-CB 3.39Å; I80-T84 PolarHBondContact O-N 3.03Å; I80-T84 PolarHBondContact O-OG1 3.04Å; D81-T84 PolarHBondContact O-N 2.78Å; I82-T84 VanDerWaalsContact C-N 3.28Å; I82-T84 PolarHBondContact O-N 3.38Å; T84-L94 WeakPolarHBondContact OG1-CD2 3.46Å
85	N	90.5	Very high	90.9	Very high	88 Å²	88	42.2 Å²	42.2	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-96.7	-21.6	-166.1	-70.5	-46.8	0	0	0	114.2	D81 I82	D81-N85 WeakPolarHBondContact O-CB 3.33Å; D81-N85 PolarHBondContact O-N 3.01Å; D81-N85 VanDerWaalsContact O-N 3.12Å; D81-N85 PolarHBondContact O-ND2 2.86Å; D81-N85 PolarHBondContact OD1-ND2 3.02Å; I82-N85 PolarHBondContact O-N 3.31Å
86	F	91.2	Very high	92	Very high	38 Å²	38	38.3 Å²	38.3	17%	0.167	19%	0.186	C	C	.	.			trans	-118.6	87.2	-174.5	-55	-75.2	0	0	0	111.6	I82 F145 K149 I151	I82-F86 HydrophobicContact CB-CD2 4.43Å; I82-F86 HydrophobicContact CG2-CD2 4.25Å; I82-F86 WeakPolarHBondContact O-CB 3.45Å; I82-F86 VanDerWaalsContact O-CD2 3.29Å; I82-F86 WeakPolarHBondContact O-CD2 3.33Å; I82-F86 PolarHBondContact O-N 3.46Å; F86-F145 HydrophobicContact CB-CE1 3.69Å; F86-F145 HydrophobicContact CB-CZ 3.92Å; F86-K149 HydrophobicContact CD1-CB 3.95Å; F86-K149 HydrophobicContact CD1-CD 4.25Å; F86-K149 HydrophobicContact CD1-CG 3.69Å; F86-K149 HydrophobicContact CE1-CB 3.74Å; F86-K149 HydrophobicContact CE1-CD 4.08Å; F86-K149 HydrophobicContact CE1-CG 3.8Å; F86-K149 HydrophobicContact CZ-CB 4.47Å; F86-I151 HydrophobicContact CD1-CD1 4.27Å; F86-I151 HydrophobicContact CD2-CD1 3.48Å; F86-I151 VanDerWaalsContact CD2-CD1 3.48Å; F86-I151 HydrophobicContact CE1-CD1 4.33Å; F86-I151 HydrophobicContact CE2-CD1 3.6Å; F86-I151 HydrophobicContact CG-CD1 3.85Å; F86-I151 HydrophobicContact CZ-CD1 4.01Å
87	K	93.4	Very high	92.6	Very high	161 Å²	161	37 Å²	37	70%	0.7	18%	0.181	S	C	*	.			trans	-92.3	124.8	179.9	-60.9	-176.8	-179.6	-176.8	0	111
88	H	97.6	Very high	93.2	Very high	53 Å²	53	35.8 Å²	35.8	25%	0.245	17%	0.174	C	C	.	.			trans	-151.4	152.1	177.1	178	-101.1	0	0	0	109.9	N90 I91 F145	H88-N90 PolarHBondContact CE1-OD1 3.13Å; H88-N90 VanDerWaalsContact CE1-OD1 3.25Å; H88-N90 PolarHBondContact ND1-N 3.03Å; H88-N90 VanDerWaalsContact ND1-N 3.15Å; H88-N90 PolarHBondContact O-N 3.01Å; H88-I91 HydrophobicContact CB-CB 4.24Å; H88-I91 HydrophobicContact CB-CG1 3.81Å; H88-I91 PolarHBondContact O-N 2.87Å; H88-F145 HydrophobicContact CB-CD1 3.46Å; H88-F145 VanDerWaalsContact CB-CD1 3.46Å; H88-F145 HydrophobicContact CB-CD2 4.22Å; H88-F145 HydrophobicContact CB-CE1 3.51Å; H88-F145 HydrophobicContact CB-CE2 4.27Å; H88-F145 HydrophobicContact CB-CG 3.82Å; H88-F145 HydrophobicContact CB-CZ 3.93Å; H88-F145 AromaticContact CG-CD1 3.92Å; H88-F145 AromaticContact CG-CG 3.84Å
89	K	96.7	Very high	93.7	Very high	89 Å²	89	34.1 Å²	34.1	39%	0.387	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.7	-175.4	61.6	165.5	-172.8	135.4	0	113.4	E138 K170	K89-E138 VanDerWaalsContact NZ-CD 3.35Å; K89-E138 IonicContact NZ-OE1 2.72Å; K89-E138 PolarHBondContact NZ-OE1 3.22Å; K89-E138 IonicContact NZ-OE2 3.76Å; K89-E138 PolarHBondContact NZ-OE2 3.06Å; K89-K170 PolarHBondContact O-NZ 3.35Å
90	N	98.1	Very high	93.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.3	-179.9	-55.6	113.6	0	0	0	114	H88 E138 V169 L171	H88-N90 PolarHBondContact CE1-OD1 3.13Å; H88-N90 VanDerWaalsContact CE1-OD1 3.25Å; H88-N90 PolarHBondContact ND1-N 3.03Å; H88-N90 VanDerWaalsContact ND1-N 3.15Å; H88-N90 PolarHBondContact O-N 3.01Å; N90-E138 WeakPolarHBondContact CB-O 3.37Å; N90-E138 PolarHBondContact ND2-OE2 3.02Å; N90-E138 PolarHBondContact OD1-O 3.43Å; N90-V169 WeakPolarHBondContact CA-O 3.37Å; N90-V169 PolarHBondContact ND2-O 2.92Å; N90-L171 PolarHBondContact O-N 3.45Å
91	I	97.5	Very high	93.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-115.1	137.2	174.4	-59.1	-61	0	0	0	107.9	L83 H88 F145 L146 L171 F174	L83-I91 HydrophobicContact CD2-CG2 4.28Å; H88-I91 HydrophobicContact CB-CB 4.24Å; H88-I91 HydrophobicContact CB-CG1 3.81Å; H88-I91 PolarHBondContact O-N 2.87Å; I91-F145 HydrophobicContact CG1-CD1 4.05Å; I91-F145 HydrophobicContact CG1-CE1 4.37Å; I91-L146 HydrophobicContact CD1-CD1 3.76Å; I91-L146 HydrophobicContact CD1-CD2 4Å; I91-L146 HydrophobicContact CD1-CG 3.81Å; I91-L171 HydrophobicContact CD1-CB 4.15Å; I91-L171 HydrophobicContact CD1-CD1 4.15Å; I91-L171 HydrophobicContact CD1-CG 4.5Å; I91-F174 HydrophobicContact CD1-CE1 4.49Å; I91-F174 HydrophobicContact CD1-CZ 4.04Å; I91-F174 HydrophobicContact CG2-CE2 4.11Å; I91-F174 HydrophobicContact CG2-CZ 3.75Å
92	L	96.1	Very high	93.7	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.063	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-58.7	138.6	177.7	-169.1	66.5	0	0	0	110.8	L83 L108 E109 C111 L162 K170 L171 A172	L83-L92 VanDerWaalsContact CD2-O 3.24Å; L83-L92 WeakPolarHBondContact CD2-O 3.44Å; L92-L108 HydrophobicContact CD2-CB 4.07Å; L92-L108 HydrophobicContact CD2-CD1 3.92Å; L92-L108 HydrophobicContact CD2-CD2 4.29Å; L92-L108 HydrophobicContact CD2-CG 4.32Å; L92-L108 HydrophobicContact CG-CB 4.49Å; L92-E109 HydrophobicContact CD1-CB 4.03Å; L92-C111 WeakPolarHBondContact CD1-SG 3.45Å; L92-L162 HydrophobicContact CD1-CD1 4.29Å; L92-L162 HydrophobicContact CD2-CD1 4.45Å; L92-K170 HydrophobicContact CD1-CD 4.42Å; L92-L171 WeakPolarHBondContact CB-O 3.38Å; L92-L171 PolarHBondContact N-O 3.43Å; L92-A172 HydrophobicContact CB-CB 4.44Å; L92-A172 HydrophobicContact CD2-CB 3.91Å
93	T	95.8	Very high	93.8	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.288	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-90.2	135.3	-179.5	-46.3	0	0	0	0	111.3	L108 E109	T93-L108 CarbonylContact O-C 3.24Å; T93-L108 WeakPolarHBondContact O-CA 3.35Å; T93-E109 VanDerWaalsContact CB-OE2 3.32Å; T93-E109 WeakPolarHBondContact CB-OE2 3.46Å; T93-E109 PolarHBondContact N-OE2 3.07Å; T93-E109 PolarHBondContact O-N 3.29Å; T93-E109 PolarHBondContact OG1-OE2 2.81Å
94	L	95.3	Very high	93.8	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.099	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.7	166.3	176.2	67.9	0	0	0	110.3	I80 L83 T84 V97 I106 L108	I80-L94 HydrophobicContact CG2-CD2 4.18Å; L83-L94 HydrophobicContact CB-CB 3.67Å; L83-L94 HydrophobicContact CB-CD2 4.21Å; L83-L94 HydrophobicContact CD1-CB 4.49Å; T84-L94 WeakPolarHBondContact OG1-CD2 3.46Å; L94-V97 HydrophobicContact CD1-CG2 3.68Å; L94-V97 HydrophobicContact CD2-CG2 3.76Å; L94-V97 HydrophobicContact CG-CG2 4.13Å; L94-I106 HydrophobicContact CD1-CG2 3.43Å; L94-I106 VanDerWaalsContact CD1-CG2 3.43Å; L94-L108 HydrophobicContact CB-CD2 4.38Å; L94-L108 HydrophobicContact CD1-CD2 3.84Å
95	H	95	Very high	93.8	Very high	68 Å²	68	47.3 Å²	47.3	32%	0.315	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-65.2	174.1	-66.2	-51.8	0	0	0	111.4	Y107 E109	H95-Y107 WeakPolarHBondContact CA-O 3.46Å; H95-Y107 WeakPolarHBondContact CB-O 3.37Å; H95-Y107 PolarHBondContact N-O 3.18Å; H95-E109 WeakPolarHBondContact NE2-CA 3.2Å
96	E	94.7	Very high	94	Very high	41 Å²	41	43.1 Å²	43.1	19%	0.192	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.7	-171.2	-66.7	175.3	-176.4	0	0	110.9	W34 K53 Y98 Y107	W34-E96 WeakPolarHBondContact CZ2-OE2 3.32Å; W34-E96 PolarHBondContact NE1-OE2 3.48Å; K53-E96 IonicContact NZ-OE1 3.83Å; K53-E96 PolarHBondContact NZ-OE1 3.34Å; K53-E96 IonicContact NZ-OE2 3.93Å; E96-Y98 HydrophobicContact CB-CD2 4.47Å; E96-Y98 HydrophobicContact CB-CE2 3.74Å; E96-Y98 PolarHBondContact OE2-OH 3.08Å; E96-Y107 HydrophobicContact CB-CD2 4.45Å; E96-Y107 PolarHBondContact N-O 3.28Å; E96-Y107 WeakPolarHBondContact O-CB 3.42Å; E96-Y107 PolarHBondContact O-N 2.92Å
97	V	95.4	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.8	176.9	-174.7	0	0	0	0	110	I24 E25 I80 L94 L104 W105 I106	I24-V97 WeakPolarHBondContact CA-O 3.48Å; I24-V97 HydrophobicContact CG1-CB 4.18Å; I24-V97 HydrophobicContact CG1-CG1 3.96Å; I24-V97 HydrophobicContact CG2-CG1 4.22Å; E25-V97 PolarHBondContact N-O 3.28Å; I80-V97 HydrophobicContact CD1-CG1 3.84Å; I80-V97 HydrophobicContact CD1-CG2 4.36Å; I80-V97 HydrophobicContact CG1-CG2 4.18Å; I80-V97 HydrophobicContact CG2-CG2 4.16Å; L94-V97 HydrophobicContact CD1-CG2 3.68Å; L94-V97 HydrophobicContact CD2-CG2 3.76Å; L94-V97 HydrophobicContact CG-CG2 4.13Å; V97-L104 HydrophobicContact CG1-CD1 3.65Å; V97-W105 WeakPolarHBondContact CA-O 3.28Å; V97-I106 HydrophobicContact CG2-CG2 4.46Å
98	Y	95.3	Very high	94.3	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.7	176.8	-60.2	-97.7	0	0	0	112.1	E25 V28 P30 I33 W34 E96 W105 Y107	E25-Y98 HydrophobicContact CB-CD1 3.59Å; E25-Y98 HydrophobicContact CB-CE1 3.71Å; E25-Y98 HydrophobicContact CB-CG 4.46Å; E25-Y98 HydrophobicContact CG-CE1 4.24Å; E25-Y98 VanDerWaalsContact O-CA 3.31Å; E25-Y98 WeakPolarHBondContact O-CA 3.45Å; E25-Y98 WeakPolarHBondContact OE2-CE1 3.48Å; V28-Y98 HydrophobicContact CB-CD1 4.31Å; V28-Y98 HydrophobicContact CB-CE1 4.35Å; V28-Y98 HydrophobicContact CG1-CE1 4.23Å; P30-Y98 HydrophobicContact CB-CD2 4.18Å; P30-Y98 HydrophobicContact CB-CG 4.12Å; P30-Y98 VanDerWaalsContact CG-CB 3.46Å; P30-Y98 HydrophobicContact CG-CD1 4.17Å; P30-Y98 HydrophobicContact CG-CD2 4.24Å; P30-Y98 HydrophobicContact CG-CG 3.72Å; I33-Y98 HydrophobicContact CD1-CE1 4.08Å; W34-Y98 AromaticContact NE1-CE2 3.95Å; E96-Y98 HydrophobicContact CB-CD2 4.47Å; E96-Y98 HydrophobicContact CB-CE2 3.74Å; E96-Y98 PolarHBondContact OE2-OH 3.08Å; Y98-W105 PolarHBondContact N-O 2.93Å; Y98-W105 PolarHBondContact O-N 2.85Å; Y98-Y107 AromaticContact CD2-CD2 3.84Å; Y98-Y107 HydrophobicContact CD2-CD2 3.84Å; Y98-Y107 AromaticContact CD2-CE2 3.59Å; Y98-Y107 HydrophobicContact CD2-CE2 3.59Å; Y98-Y107 AromaticContact CE2-CD2 4Å; Y98-Y107 HydrophobicContact CE2-CD2 4Å; Y98-Y107 AromaticContact CE2-CE2 3.89Å; Y98-Y107 HydrophobicContact CE2-CE2 3.89Å
99	I	93.2	Very high	94.3	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.087	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.8	166.2	-63.9	172.4	0	0	0	108.7	I24 E25 R26 S27 F67 L73 K103 L104	I24-I99 HydrophobicContact CG2-CB 4.44Å; I24-I99 HydrophobicContact CG2-CD1 3.6Å; I24-I99 HydrophobicContact CG2-CG1 3.67Å; E25-I99 PolarHBondContact O-N 3.17Å; R26-I99 HydrophobicContact CG-CB 4.33Å; S27-I99 PolarHBondContact N-O 2.94Å; F67-I99 HydrophobicContact CE1-CG2 4.12Å; F67-I99 HydrophobicContact CZ-CG2 3.73Å; L73-I99 HydrophobicContact CD1-CD1 4.16Å; L73-I99 HydrophobicContact CD2-CD1 3.56Å; L73-I99 HydrophobicContact CG-CD1 4.49Å; I99-K103 WeakPolarHBondContact CA-O 3.39Å; I99-L104 HydrophobicContact CD1-CD1 4.5Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å
100	Y	92.4	Very high	94.3	Very high	64 Å²	64	31.1 Å²	31.1	25%	0.251	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	130.4	-178.8	-173.1	-103.7	0	0	0	110.3	V28 N29 S102 K103	V28-Y100 WeakPolarHBondContact O-CD2 3.26Å; N29-Y100 HydrophobicContact CB-CD1 4.41Å; N29-Y100 HydrophobicContact CB-CD2 4.33Å; N29-Y100 HydrophobicContact CB-CE1 3.95Å; N29-Y100 HydrophobicContact CB-CE2 3.86Å; Y100-S102 PolarHBondContact O-N 3.22Å; Y100-K103 PolarHBondContact N-O 3.43Å; Y100-K103 VanDerWaalsContact N-O 3.11Å; Y100-K103 WeakPolarHBondContact O-CB 3.35Å; Y100-K103 PolarHBondContact O-N 2.88Å; Y100-K103 VanDerWaalsContact O-N 3.07Å
101	E	88.9	Confident	94.2	Very high	134 Å²	134	31.7 Å²	31.7	63%	0.626	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	46.2	179.8	-65.9	-177	162.7	0	0	115.2	K103	E101-K103 PolarHBondContact O-N 2.85Å
102	S	87.4	Confident	93.8	Very high	78 Å²	78	33.4 Å²	33.4	55%	0.545	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.5	-176.7	-55.6	0	0	0	0	113.9	F67 Y100	F67-S102 WeakPolarHBondContact CD1-O 3.45Å; F67-S102 VanDerWaalsContact CE1-C 3.5Å; F67-S102 PolarHBondContact N-O 3.35Å; F67-S102 VanDerWaalsContact N-O 3.13Å; Y100-S102 PolarHBondContact O-N 3.22Å
103	K	90.8	Very high	93.7	Very high	62 Å²	62	33.4 Å²	33.4	27%	0.27	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.8	174.3	-55.5	-175.3	179.9	160.5	0	110.5	V65 D66 I99 Y100 E101 W105	V65-K103 CarbonylContact O-C 3.58Å; V65-K103 WeakPolarHBondContact O-CA 3.28Å; D66-K103 WeakPolarHBondContact OD1-CD 3.24Å; D66-K103 WeakPolarHBondContact OD1-CE 3.28Å; D66-K103 WeakPolarHBondContact OD1-CG 3.38Å; I99-K103 WeakPolarHBondContact CA-O 3.39Å; Y100-K103 PolarHBondContact N-O 3.43Å; Y100-K103 VanDerWaalsContact N-O 3.11Å; Y100-K103 WeakPolarHBondContact O-CB 3.35Å; Y100-K103 PolarHBondContact O-N 2.88Å; Y100-K103 VanDerWaalsContact O-N 3.07Å; E101-K103 PolarHBondContact O-N 2.85Å; K103-W105 VanDerWaalsContact O-CD1 3.31Å
104	L	91.5	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.3	171.7	-177.7	63.6	0	0	0	108.8	R64 V65 F67 L73 F76 I80 V97 I99 I106	R64-L104 WeakPolarHBondContact CA-O 3.24Å; V65-L104 HydrophobicContact CB-CB 4.4Å; V65-L104 PolarHBondContact N-O 3.23Å; V65-L104 PolarHBondContact O-N 2.96Å; F67-L104 HydrophobicContact CD1-CB 4.17Å; F67-L104 HydrophobicContact CE1-CB 4.23Å; L73-L104 HydrophobicContact CD1-CB 4.5Å; L73-L104 HydrophobicContact CD1-CD1 4.12Å; L73-L104 HydrophobicContact CD1-CD2 4.03Å; L73-L104 HydrophobicContact CD1-CG 4.45Å; F76-L104 HydrophobicContact CB-CD2 3.52Å; F76-L104 HydrophobicContact CD1-CD2 4.37Å; F76-L104 HydrophobicContact CD2-CD2 4.26Å; F76-L104 HydrophobicContact CG-CD2 3.79Å; I80-L104 HydrophobicContact CD1-CD1 4.13Å; I80-L104 HydrophobicContact CD1-CD2 4.06Å; V97-L104 HydrophobicContact CG1-CD1 3.65Å; I99-L104 HydrophobicContact CD1-CD1 4.5Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å; L104-I106 HydrophobicContact CD1-CG1 4.47Å; L104-I106 HydrophobicContact CD2-CD1 3.85Å; L104-I106 HydrophobicContact CD2-CG1 4.13Å; L104-I106 HydrophobicContact CG-CD1 4.16Å; L104-I106 HydrophobicContact CG-CG1 3.87Å
105	W	94.1	Very high	93.6	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.057	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.2	-178.9	-59.5	72	0	0	0	108.8	P30 T31 I36 L62 R64 V97 Y98 K103 Y107	P30-W105 HydrophobicContact CB-CD2 4.2Å; P30-W105 HydrophobicContact CB-CE3 4.18Å; P30-W105 HydrophobicContact CB-CG 4.39Å; P30-W105 HydrophobicContact CG-CB 4.29Å; P30-W105 HydrophobicContact CG-CD2 3.95Å; P30-W105 HydrophobicContact CG-CE3 4.43Å; P30-W105 HydrophobicContact CG-CG 3.84Å; T31-W105 HydrophobicContact CG2-CH2 4.11Å; T31-W105 HydrophobicContact CG2-CZ3 4.4Å; I36-W105 HydrophobicContact CD1-CH2 4.43Å; I36-W105 HydrophobicContact CD1-CZ3 4.04Å; L62-W105 HydrophobicContact CD1-CB 3.87Å; L62-W105 HydrophobicContact CD1-CD2 4.32Å; L62-W105 HydrophobicContact CD1-CE3 3.65Å; L62-W105 HydrophobicContact CD1-CG 4.46Å; L62-W105 HydrophobicContact CD2-CE3 3.43Å; L62-W105 VanDerWaalsContact CD2-CE3 3.43Å; L62-W105 HydrophobicContact CD2-CZ3 3.49Å; L62-W105 VanDerWaalsContact CD2-CZ3 3.49Å; L62-W105 HydrophobicContact CG-CE3 4.14Å; R64-W105 HydrophobicContact CG-CD2 4.15Å; R64-W105 HydrophobicContact CG-CE3 4.38Å; R64-W105 HydrophobicContact CG-CZ2 4.42Å; V97-W105 WeakPolarHBondContact CA-O 3.28Å; Y98-W105 PolarHBondContact N-O 2.93Å; Y98-W105 PolarHBondContact O-N 2.85Å; K103-W105 VanDerWaalsContact O-CD1 3.31Å; W105-Y107 HydrophobicContact CB-CE2 4.03Å
106	I	93.8	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.8	-177.4	-48.8	178.5	0	0	0	108.2	L62 K63 I80 L94 V97 L104 L108	L62-I106 WeakPolarHBondContact CA-O 3.5Å; K63-I106 HydrophobicContact CB-CB 4.32Å; K63-I106 PolarHBondContact N-O 3.07Å; K63-I106 PolarHBondContact O-N 2.87Å; I80-I106 HydrophobicContact CD1-CD1 4.21Å; I80-I106 HydrophobicContact CD1-CG1 4.47Å; I80-I106 HydrophobicContact CG1-CD1 4.26Å; L94-I106 HydrophobicContact CD1-CG2 3.43Å; L94-I106 VanDerWaalsContact CD1-CG2 3.43Å; V97-I106 HydrophobicContact CG2-CG2 4.46Å; L104-I106 HydrophobicContact CD1-CG1 4.47Å; L104-I106 HydrophobicContact CD2-CD1 3.85Å; L104-I106 HydrophobicContact CD2-CG1 4.13Å; L104-I106 HydrophobicContact CG-CD1 4.16Å; L104-I106 HydrophobicContact CG-CG1 3.87Å; I106-L108 HydrophobicContact CG2-CD1 4.48Å; I106-L108 HydrophobicContact CG2-CD2 3.79Å; I106-L108 HydrophobicContact CG2-CG 3.97Å
107	Y	96	Very high	93.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.5	177.5	-68.2	-89.4	0	0	0	109.7	P30 W34 T51 A60 L62 H95 E96 Y98 W105	P30-Y107 HydrophobicContact CB-CE2 4.12Å; P30-Y107 WeakPolarHBondContact CB-OH 3.36Å; W34-Y107 HydrophobicContact CB-CE1 3.51Å; W34-Y107 WeakPolarHBondContact CB-OH 3.26Å; W34-Y107 AromaticContact CD1-CE1 3.83Å; W34-Y107 AromaticContact CD1-CE2 3.89Å; W34-Y107 AromaticContact CD1-CZ 3.59Å; W34-Y107 AromaticContact CD2-CD1 3.52Å; W34-Y107 HydrophobicContact CD2-CD1 3.52Å; W34-Y107 AromaticContact CD2-CE1 3.4Å; W34-Y107 HydrophobicContact CD2-CE1 3.4Å; W34-Y107 VanDerWaalsContact CD2-CE1 3.4Å; W34-Y107 HydrophobicContact CD2-CG 4.19Å; W34-Y107 AromaticContact CE2-CD1 3.77Å; W34-Y107 AromaticContact CE2-CG 3.96Å; W34-Y107 AromaticContact CE3-CD1 3.67Å; W34-Y107 HydrophobicContact CE3-CD1 3.67Å; W34-Y107 AromaticContact CE3-CE1 3.75Å; W34-Y107 HydrophobicContact CE3-CE1 3.75Å; W34-Y107 AromaticContact CG-CD1 3.93Å; W34-Y107 HydrophobicContact CG-CD1 3.93Å; W34-Y107 AromaticContact CG-CE1 3.31Å; W34-Y107 HydrophobicContact CG-CE1 3.31Å; W34-Y107 HydrophobicContact CG-CE2 4.2Å; W34-Y107 AromaticContact CG-CZ 3.46Å; W34-Y107 VanDerWaalsContact CG-CZ 3.46Å; W34-Y107 HydrophobicContact CH2-CD1 4.27Å; W34-Y107 HydrophobicContact CZ2-CD1 4.15Å; W34-Y107 HydrophobicContact CZ2-CG 4.18Å; W34-Y107 HydrophobicContact CZ3-CD1 4.06Å; T51-Y107 HydrophobicContact CG2-CE1 4.05Å; T51-Y107 WeakPolarHBondContact OG1-CD1 3.35Å; A60-Y107 HydrophobicContact CB-CD1 4.19Å; L62-Y107 HydrophobicContact CB-CD1 4.24Å; L62-Y107 HydrophobicContact CB-CE1 4.09Å; L62-Y107 HydrophobicContact CD1-CD1 4.4Å; L62-Y107 HydrophobicContact CD1-CD2 4.42Å; L62-Y107 HydrophobicContact CD1-CE1 4.08Å; L62-Y107 HydrophobicContact CD1-CE2 4.08Å; L62-Y107 HydrophobicContact CD2-CE1 4.46Å; L62-Y107 HydrophobicContact CG-CE1 4.42Å; H95-Y107 WeakPolarHBondContact CA-O 3.46Å; H95-Y107 WeakPolarHBondContact CB-O 3.37Å; H95-Y107 PolarHBondContact N-O 3.18Å; E96-Y107 HydrophobicContact CB-CD2 4.45Å; E96-Y107 PolarHBondContact N-O 3.28Å; E96-Y107 WeakPolarHBondContact O-CB 3.42Å; E96-Y107 PolarHBondContact O-N 2.92Å; Y98-Y107 AromaticContact CD2-CD2 3.84Å; Y98-Y107 HydrophobicContact CD2-CD2 3.84Å; Y98-Y107 AromaticContact CD2-CE2 3.59Å; Y98-Y107 HydrophobicContact CD2-CE2 3.59Å; Y98-Y107 AromaticContact CE2-CD2 4Å; Y98-Y107 HydrophobicContact CE2-CD2 4Å; Y98-Y107 AromaticContact CE2-CE2 3.89Å; Y98-Y107 HydrophobicContact CE2-CE2 3.89Å; W105-Y107 HydrophobicContact CB-CE2 4.03Å
108	L	95.7	Very high	93.6	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.073	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	160.4	-177.7	-59.6	167.8	0	0	0	110.7	A60 A61 K63 L83 L92 T93 L94 I106 L110	A60-L108 CarbonylContact C-O 3.47Å; A60-L108 VanDerWaalsContact CA-O 3.25Å; A60-L108 WeakPolarHBondContact CA-O 3.43Å; A60-L108 VanDerWaalsContact CB-O 3.25Å; A60-L108 WeakPolarHBondContact CB-O 3.17Å; A61-L108 PolarHBondContact N-O 2.94Å; A61-L108 PolarHBondContact O-N 3.48Å; K63-L108 HydrophobicContact CB-CD1 4.37Å; L83-L108 HydrophobicContact CD1-CD2 3.71Å; L92-L108 HydrophobicContact CD2-CB 4.07Å; L92-L108 HydrophobicContact CD2-CD1 3.92Å; L92-L108 HydrophobicContact CD2-CD2 4.29Å; L92-L108 HydrophobicContact CD2-CG 4.32Å; L92-L108 HydrophobicContact CG-CB 4.49Å; T93-L108 CarbonylContact O-C 3.24Å; T93-L108 WeakPolarHBondContact O-CA 3.35Å; L94-L108 HydrophobicContact CB-CD2 4.38Å; L94-L108 HydrophobicContact CD1-CD2 3.84Å; I106-L108 HydrophobicContact CG2-CD1 4.48Å; I106-L108 HydrophobicContact CG2-CD2 3.79Å; I106-L108 HydrophobicContact CG2-CG 3.97Å; L108-L110 PolarHBondContact O-N 3.4Å
109	E	96.1	Very high	93.5	Very high	33 Å²	33	33.3 Å²	33.3	15%	0.154	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	134.5	169.5	175.3	177.1	-169.6	0	0	111.6	L92 T93 H95 C111 K170	L92-E109 HydrophobicContact CD1-CB 4.03Å; T93-E109 VanDerWaalsContact CB-OE2 3.32Å; T93-E109 WeakPolarHBondContact CB-OE2 3.46Å; T93-E109 PolarHBondContact N-OE2 3.07Å; T93-E109 PolarHBondContact O-N 3.29Å; T93-E109 PolarHBondContact OG1-OE2 2.81Å; H95-E109 WeakPolarHBondContact NE2-CA 3.2Å; E109-C111 PolarHBondContact O-N 3.47Å; E109-K170 WeakPolarHBondContact OE1-CE 2.96Å; E109-K170 IonicContact OE1-NZ 3.92Å; E109-K170 PolarHBondContact OE1-NZ 3.2Å; E109-K170 WeakPolarHBondContact OE2-CD 3.46Å; E109-K170 VanDerWaalsContact OE2-CE 3.28Å; E109-K170 WeakPolarHBondContact OE2-CE 3.42Å; E109-K170 IonicContact OE2-NZ 2.72Å; E109-K170 PolarHBondContact OE2-NZ 2.71Å
110	L	96.5	Very high	93.6	Very high	42 Å²	42	32.6 Å²	32.6	22%	0.22	19%	0.193	C	C	.	.			trans	-82.5	100.7	179	-177.7	64.7	0	0	0	111.2	L40 K50 F59 A61 L108 G112	L40-L110 HydrophobicContact CD1-CD1 3.71Å; K50-L110 HydrophobicContact CD-CD2 4.22Å; K50-L110 HydrophobicContact CG-CD2 4.09Å; F59-L110 HydrophobicContact CB-CD2 3.77Å; A61-L110 HydrophobicContact CB-CD1 4.19Å; L108-L110 PolarHBondContact O-N 3.4Å; L110-G112 VanDerWaalsContact C-N 3.34Å; L110-G112 PolarHBondContact O-N 2.94Å
111	C	96.2	Very high	93.4	Very high	13 Å²	13	34.8 Å²	34.8	9%	0.088	21%	0.205	C	C	.	.			trans	-78.3	79.8	168.4	-65.9	0	0	0	0	111.1	L92 E109 G113 G114 L162 L163	L92-C111 WeakPolarHBondContact CD1-SG 3.45Å; E109-C111 PolarHBondContact O-N 3.47Å; C111-G113 PolarHBondContact O-N 3.49Å; C111-G113 VanDerWaalsContact O-N 3.09Å; C111-G114 PolarHBondContact O-N 2.92Å; C111-L162 HydrophobicContact CB-CB 3.57Å; C111-L162 HydrophobicContact CB-CD1 3.99Å; C111-L162 HydrophobicContact CB-CG 4.39Å; C111-L163 CarbonylContact C-O 3.57Å; C111-L163 WeakPolarHBondContact CA-O 3.5Å; C111-L163 WeakPolarHBondContact CB-O 3.35Å
112	G	90.9	Very high	93.3	Very high	39 Å²	39	31.2 Å²	31.2	40%	0.402	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.6	-174.2	0	0	0	0	0	116.3	L110 G114	L110-G112 VanDerWaalsContact C-N 3.34Å; L110-G112 PolarHBondContact O-N 2.94Å; G112-G114 VanDerWaalsContact C-N 3.33Å
113	G	92.2	Very high	93.2	Very high	12 Å²	12	27.8 Å²	27.8	12%	0.124	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.9	169.9	0	0	0	0	0	113.6	C111 I119 L163	C111-G113 PolarHBondContact O-N 3.49Å; C111-G113 VanDerWaalsContact O-N 3.09Å; G113-I119 WeakPolarHBondContact O-CD1 3.18Å; G113-L163 WeakPolarHBondContact CA-O 3.32Å; G113-L163 PolarHBondContact N-O 3.29Å
114	G	93.7	Very high	93	Very high	28 Å²	28	29 Å²	29	29%	0.289	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78	-173.7	-179.7	0	0	0	0	0	113.8	C111 G112 L162 L163	C111-G114 PolarHBondContact O-N 2.92Å; G112-G114 VanDerWaalsContact C-N 3.33Å; G114-L162 WeakPolarHBondContact O-CA 3.25Å; G114-L163 PolarHBondContact O-N 3.37Å
115	A	95.2	Very high	92.9	Very high	12 Å²	12	30 Å²	30	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	148.7	178.6	0	0	0	0	0	112.1	D117 S118 I119 G159 I161 L162	A115-D117 VanDerWaalsContact C-N 3.3Å; A115-D117 WeakPolarHBondContact CB-OD1 3.48Å; A115-D117 PolarHBondContact O-N 3.44Å; A115-S118 WeakPolarHBondContact O-CB 3.42Å; A115-S118 PolarHBondContact O-N 3.35Å; A115-I119 WeakPolarHBondContact O-CG1 3.45Å; A115-I119 PolarHBondContact O-N 3.45Å; A115-I119 VanDerWaalsContact O-N 3.1Å; A115-G159 WeakPolarHBondContact CB-O 3.29Å; A115-I161 WeakPolarHBondContact CA-O 3.49Å; A115-L162 HydrophobicContact CB-CD2 3.65Å
116	L	98	Very high	92.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-33.9	-177	-70.9	-178.4	0	0	0	113.3	S118 I119 M120 L127 V135 A158 I161 L163 L228 L306	L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 2.86Å; L116-I119 HydrophobicContact CD2-CD1 4.26Å; L116-I119 PolarHBondContact O-N 3.18Å; L116-M120 WeakPolarHBondContact O-CG 3.38Å; L116-M120 PolarHBondContact O-N 3.49Å; L116-L127 HydrophobicContact CD1-CD1 4.31Å; L116-L127 HydrophobicContact CD2-CD1 4.24Å; L116-V135 HydrophobicContact CD1-CG1 3.68Å; L116-V135 HydrophobicContact CD1-CG2 4.12Å; L116-A158 HydrophobicContact CB-CB 4.23Å; L116-A158 PolarHBondContact N-O 3.44Å; L116-I161 HydrophobicContact CD1-CB 3.85Å; L116-I161 HydrophobicContact CD1-CD1 4.32Å; L116-I161 HydrophobicContact CD1-CG2 3.49Å; L116-I161 VanDerWaalsContact CD1-CG2 3.49Å; L116-I161 HydrophobicContact CG-CB 4.2Å; L116-I161 HydrophobicContact CG-CG2 4Å; L116-I161 PolarHBondContact N-O 2.81Å; L116-L163 HydrophobicContact CD2-CD1 3.67Å; L116-L163 HydrophobicContact CD2-CD2 4.2Å; L116-L163 HydrophobicContact CD2-CG 3.87Å; L116-L228 HydrophobicContact CB-CD2 4.03Å; L116-L228 HydrophobicContact CD1-CD1 4.46Å; L116-L228 HydrophobicContact CD1-CD2 3.75Å; L116-L306 HydrophobicContact CD2-CD2 4.44Å
117	D	95.3	Very high	93	Very high	62 Å²	62	30.6 Å²	30.6	33%	0.332	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-41	175.9	67.2	-17.4	0	0	0	112.3	A115 M120 E121 A158 G159	A115-D117 VanDerWaalsContact C-N 3.3Å; A115-D117 WeakPolarHBondContact CB-OD1 3.48Å; A115-D117 PolarHBondContact O-N 3.44Å; D117-M120 PolarHBondContact O-N 3.3Å; D117-E121 WeakPolarHBondContact O-CB 3.48Å; D117-E121 PolarHBondContact O-N 3.38Å; D117-A158 HydrophobicContact CB-CB 4.19Å; D117-G159 VanDerWaalsContact CG-CA 3.43Å; D117-G159 WeakPolarHBondContact OD2-CA 3.45Å
118	S	92.8	Very high	92.9	Very high	70 Å²	70	32.2 Å²	32.2	49%	0.49	20%	0.201	S	C	.	.	H	α-helix	trans	-68.3	-38.4	179.2	-60.1	0	0	0	0	110.6	A115 L116 E121 A122	A115-S118 WeakPolarHBondContact O-CB 3.42Å; A115-S118 PolarHBondContact O-N 3.35Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 2.86Å; S118-E121 PolarHBondContact O-N 3.39Å; S118-A122 VanDerWaalsContact O-CB 3.31Å; S118-A122 WeakPolarHBondContact O-CB 3.49Å; S118-A122 PolarHBondContact O-N 3.08Å
119	I	93.6	Very high	93	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-48	173	-66.2	171.4	0	0	0	110.7	G113 A115 L116 E121 A122 L123 L163 L306 L307 V310	G113-I119 WeakPolarHBondContact O-CD1 3.18Å; A115-I119 WeakPolarHBondContact O-CG1 3.45Å; A115-I119 PolarHBondContact O-N 3.45Å; A115-I119 VanDerWaalsContact O-N 3.1Å; L116-I119 HydrophobicContact CD2-CD1 4.26Å; L116-I119 PolarHBondContact O-N 3.18Å; I119-E121 VanDerWaalsContact C-N 3.27Å; I119-E121 PolarHBondContact O-N 2.79Å; I119-A122 PolarHBondContact O-N 3.44Å; I119-L123 HydrophobicContact CG2-CD1 3.79Å; I119-L123 HydrophobicContact CG2-CG 4.36Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 WeakPolarHBondContact O-CG 3.28Å; I119-L123 PolarHBondContact O-N 3.46Å; I119-L163 HydrophobicContact CD1-CD1 3.6Å; I119-L163 HydrophobicContact CD1-CG 4.33Å; I119-L306 HydrophobicContact CG2-CD1 3.84Å; I119-L306 HydrophobicContact CG2-CD2 4.26Å; I119-L306 HydrophobicContact CG2-CG 4Å; I119-L307 HydrophobicContact CD1-CD2 4.26Å; I119-V310 HydrophobicContact CG2-CB 4.45Å; I119-V310 HydrophobicContact CG2-CG2 4.45Å
120	M	94.5	Very high	93	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-38.8	177.5	-74	-171.4	-67.3	0	0	111.8	L116 D117 E124 K125 L127 A158 E227 L228 K231	L116-M120 WeakPolarHBondContact O-CG 3.38Å; L116-M120 PolarHBondContact O-N 3.49Å; D117-M120 PolarHBondContact O-N 3.3Å; M120-E124 WeakPolarHBondContact O-CA 3.41Å; M120-E124 PolarHBondContact O-N 2.92Å; M120-K125 WeakPolarHBondContact CA-O 3.48Å; M120-K125 WeakPolarHBondContact CB-O 3.45Å; M120-K125 PolarHBondContact O-N 3.48Å; M120-K125 VanDerWaalsContact O-N 3.16Å; M120-L127 HydrophobicContact CG-CD2 4.03Å; M120-L127 HydrophobicContact CG-CG 4.15Å; M120-L127 HydrophobicContact SD-CG 4.19Å; M120-A158 HydrophobicContact CE-CB 4.04Å; M120-E227 HydrophobicContact CE-CG 4.41Å; M120-L228 HydrophobicContact CE-CD2 3.99Å; M120-L228 HydrophobicContact SD-CD2 4.41Å; M120-K231 HydrophobicContact CB-CG 4.35Å; M120-K231 WeakPolarHBondContact O-CE 3.45Å; M120-K231 HydrophobicContact SD-CG 4.5Å
121	E	89.5	Confident	93	Very high	109 Å²	109	32.9 Å²	32.9	51%	0.509	21%	0.208	S	C	.	.	H	α-helix	trans	-69	-44.3	177.1	-168.4	64.6	-179.6	0	0	112.1	D117 S118 I119 L123 E124 K231	D117-E121 WeakPolarHBondContact O-CB 3.48Å; D117-E121 PolarHBondContact O-N 3.38Å; S118-E121 PolarHBondContact O-N 3.39Å; I119-E121 VanDerWaalsContact C-N 3.27Å; I119-E121 PolarHBondContact O-N 2.79Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.44Å; E121-E124 PolarHBondContact O-N 3.21Å; E121-E124 VanDerWaalsContact O-N 3.11Å; E121-K231 IonicContact OE2-NZ 3.57Å; E121-K231 PolarHBondContact OE2-NZ 2.85Å
122	A	86.2	Confident	93.2	Very high	60 Å²	60	32.2 Å²	32.2	50%	0.496	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-38.7	176.4	0	0	0	0	0	112.8	S118 I119 E124 V310	S118-A122 VanDerWaalsContact O-CB 3.31Å; S118-A122 WeakPolarHBondContact O-CB 3.49Å; S118-A122 PolarHBondContact O-N 3.08Å; I119-A122 PolarHBondContact O-N 3.44Å; A122-E124 VanDerWaalsContact C-N 3.29Å; A122-V310 HydrophobicContact CB-CG2 3.89Å
123	L	86	Confident	93.5	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-79.2	-15.1	176.2	-65.7	177.8	0	0	0	112.9	I119 E121 K125 L306 E309 V310 R566	I119-L123 HydrophobicContact CG2-CD1 3.79Å; I119-L123 HydrophobicContact CG2-CG 4.36Å; I119-L123 WeakPolarHBondContact O-CB 3.33Å; I119-L123 WeakPolarHBondContact O-CG 3.28Å; I119-L123 PolarHBondContact O-N 3.46Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.44Å; L123-K125 HydrophobicContact CB-CD 4.48Å; L123-K125 HydrophobicContact CB-CG 3.83Å; L123-K125 PolarHBondContact O-N 3.01Å; L123-L306 HydrophobicContact CD1-CD1 3.63Å; L123-E309 HydrophobicContact CD2-CB 4.46Å; L123-E309 HydrophobicContact CD2-CG 3.86Å; L123-V310 HydrophobicContact CD2-CB 4.14Å; L123-V310 HydrophobicContact CD2-CG2 4.38Å; L123-V310 HydrophobicContact CG-CB 4.3Å; L123-V310 HydrophobicContact CG-CG2 4.32Å; L123-R566 PolarHBondContact O-NH2 3.47Å; L123-R566 VanDerWaalsContact O-NH2 3.1Å
124	E	86	Confident	93.8	Very high	89 Å²	89	32.8 Å²	32.8	42%	0.416	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	25.3	-171.8	-61.9	177.9	-156.8	0	0	113.8	M120 E121 A122 R564	M120-E124 WeakPolarHBondContact O-CA 3.41Å; M120-E124 PolarHBondContact O-N 2.92Å; E121-E124 PolarHBondContact O-N 3.21Å; E121-E124 VanDerWaalsContact O-N 3.11Å; A122-E124 VanDerWaalsContact C-N 3.29Å; E124-R564 IonicContact OE1-CZ 3.95Å; E124-R564 IonicContact OE1-NH1 2.81Å; E124-R564 PolarHBondContact OE1-NH1 2.87Å; E124-R564 IonicContact OE1-NH2 2.68Å; E124-R564 PolarHBondContact OE1-NH2 3.44Å; E124-R564 IonicContact OE2-CZ 3.86Å; E124-R564 IonicContact OE2-NH1 3.96Å; E124-R564 PolarHBondContact OE2-NH1 3.02Å
125	K	88.2	Confident	94	Very high	20 Å²	20	31.4 Å²	31.4	9%	0.087	18%	0.176	C	C	.	.	S	Bend	trans	-142.6	156.6	-177.4	69.4	176.9	-170.6	179.1	0	112.4	M120 L123 E309	M120-K125 WeakPolarHBondContact CA-O 3.48Å; M120-K125 WeakPolarHBondContact CB-O 3.45Å; M120-K125 PolarHBondContact O-N 3.48Å; M120-K125 VanDerWaalsContact O-N 3.16Å; L123-K125 HydrophobicContact CB-CD 4.48Å; L123-K125 HydrophobicContact CB-CG 3.83Å; L123-K125 PolarHBondContact O-N 3.01Å; K125-E309 WeakPolarHBondContact CE-OE1 3.45Å; K125-E309 WeakPolarHBondContact CE-OE2 3.07Å; K125-E309 IonicContact NZ-OE1 2.65Å; K125-E309 PolarHBondContact NZ-OE1 3.14Å; K125-E309 IonicContact NZ-OE2 2.89Å; K125-E309 PolarHBondContact NZ-OE2 3.48Å
126	P	93.8	Very high	94.2	Very high	25 Å²	25	30.9 Å²	30.9	16%	0.162	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-70.2	170.7	170.2	31.5	-36	0	0	0	111.5	L228 A229 K231 L338	P126-L228 WeakPolarHBondContact CB-O 3.41Å; P126-A229 VanDerWaalsContact CB-C 3.44Å; P126-A229 WeakPolarHBondContact CB-O 3.34Å; P126-K231 HydrophobicContact CB-CG 4.12Å; P126-L338 HydrophobicContact CG-CD2 4.2Å
127	L	95.9	Very high	94.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-73.8	151.5	170	-61.2	-168.2	0	0	0	111.1	L116 M120 Q131 I132 L228 L306	L116-L127 HydrophobicContact CD1-CD1 4.31Å; L116-L127 HydrophobicContact CD2-CD1 4.24Å; M120-L127 HydrophobicContact CG-CD2 4.03Å; M120-L127 HydrophobicContact CG-CG 4.15Å; M120-L127 HydrophobicContact SD-CG 4.19Å; L127-Q131 HydrophobicContact CB-CB 4.15Å; L127-Q131 HydrophobicContact CD1-CB 4.46Å; L127-I132 HydrophobicContact CB-CD1 4.31Å; L127-I132 HydrophobicContact CB-CG1 3.73Å; L127-L228 HydrophobicContact CD1-CB 4.41Å; L127-L228 HydrophobicContact CD1-CD2 3.86Å; L127-L228 HydrophobicContact CD1-CG 4.47Å; L127-L228 HydrophobicContact CG-CD2 4.44Å; L127-L228 PolarHBondContact N-O 3.23Å; L127-L306 HydrophobicContact CD2-CD1 3.93Å; L127-L306 HydrophobicContact CD2-CD2 3.81Å
128	T	95.1	Very high	94.4	Very high	35 Å²	35	30.8 Å²	30.8	22%	0.215	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-79.4	158.3	174.2	65.5	0	0	0	0	111	Q131 I132	T128-Q131 WeakPolarHBondContact O-CB 3.28Å; T128-Q131 PolarHBondContact O-N 3.12Å; T128-Q131 VanDerWaalsContact OG1-CD 3.24Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.38Å; T128-Q131 PolarHBondContact OG1-OE1 3.43Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.38Å
129	E	97.2	Very high	94.6	Very high	33 Å²	33	27.4 Å²	27.4	15%	0.154	14%	0.143	C	C	.	.	H	α-helix	trans	-56.1	-41.6	-179.5	-165.2	-178.8	130.9	0	0	113.8	Q131 I132 R133 W261 S262 F265 F291	E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 3.28Å; E129-I132 PolarHBondContact O-N 3Å; E129-R133 VanDerWaalsContact O-CB 3.29Å; E129-R133 WeakPolarHBondContact O-CB 3.35Å; E129-R133 PolarHBondContact O-N 3.36Å; E129-R133 IonicContact OE1-NH2 2.78Å; E129-R133 PolarHBondContact OE1-NH2 3.45Å; E129-W261 HydrophobicContact CB-CE3 4.15Å; E129-W261 HydrophobicContact CB-CZ3 3.97Å; E129-W261 HydrophobicContact CG-CE3 4.26Å; E129-W261 HydrophobicContact CG-CZ3 4.4Å; E129-S262 VanDerWaalsContact CD-OG 3.25Å; E129-S262 WeakPolarHBondContact OE1-CB 3.4Å; E129-S262 PolarHBondContact OE1-OG 3.13Å; E129-S262 WeakPolarHBondContact OE2-CB 3.48Å; E129-S262 PolarHBondContact OE2-N 2.94Å; E129-S262 PolarHBondContact OE2-OG 2.99Å; E129-F265 HydrophobicContact CG-CB 4.42Å; E129-F291 HydrophobicContact CG-CE2 3.78Å; E129-F291 HydrophobicContact CG-CZ 4.14Å
130	P	96.3	Very high	94.9	Very high	59 Å²	59	27.2 Å²	27.2	38%	0.383	14%	0.142	S	C	.	.	H	α-helix	trans	-60.2	-36.9	173	-25.2	35.7	0	0	0	114.3	F134 V302	P130-F134 PolarHBondContact O-N 3.39Å; P130-F134 VanDerWaalsContact O-N 3.14Å; P130-V302 HydrophobicContact CB-CG1 4.29Å
131	Q	97.6	Very high	95.1	Very high	10 Å²	10	29 Å²	29	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-68.5	-46.6	175.7	-68.3	165.7	-16.2	0	0	110.7	L127 T128 E129 R133 F134 V135 V302	L127-Q131 HydrophobicContact CB-CB 4.15Å; L127-Q131 HydrophobicContact CD1-CB 4.46Å; T128-Q131 WeakPolarHBondContact O-CB 3.28Å; T128-Q131 PolarHBondContact O-N 3.12Å; T128-Q131 VanDerWaalsContact OG1-CD 3.24Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.38Å; T128-Q131 PolarHBondContact OG1-OE1 3.43Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 3.28Å; Q131-R133 VanDerWaalsContact C-N 3.28Å; Q131-R133 PolarHBondContact O-N 2.95Å; Q131-F134 PolarHBondContact O-N 3.39Å; Q131-V135 WeakPolarHBondContact O-CB 3.39Å; Q131-V135 VanDerWaalsContact O-CG2 3.3Å; Q131-V135 WeakPolarHBondContact O-CG2 3.36Å; Q131-V135 PolarHBondContact O-N 2.9Å; Q131-V302 HydrophobicContact CG-CB 4.26Å; Q131-V302 HydrophobicContact CG-CG2 4.43Å
132	I	98.4	Very high	95.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-42.4	176.4	-64.7	177.8	0	0	0	110.2	L127 T128 E129 V135 S136 L225 L228 A229 W261 F265 F291	L127-I132 HydrophobicContact CB-CD1 4.31Å; L127-I132 HydrophobicContact CB-CG1 3.73Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.38Å; E129-I132 PolarHBondContact O-N 3Å; I132-V135 PolarHBondContact O-N 3.2Å; I132-S136 WeakPolarHBondContact O-CB 3.26Å; I132-S136 PolarHBondContact O-N 2.89Å; I132-S136 PolarHBondContact O-OG 3.2Å; I132-L225 HydrophobicContact CG2-CD2 3.92Å; I132-L228 HydrophobicContact CD1-CB 4.04Å; I132-L228 HydrophobicContact CG1-CB 3.96Å; I132-A229 HydrophobicContact CD1-CB 3.99Å; I132-W261 HydrophobicContact CD1-CH2 3.71Å; I132-W261 HydrophobicContact CD1-CZ3 3.68Å; I132-F265 HydrophobicContact CD1-CZ 4.44Å; I132-F265 HydrophobicContact CG2-CD2 4.48Å; I132-F265 HydrophobicContact CG2-CE2 3.71Å; I132-F265 HydrophobicContact CG2-CZ 4.04Å; I132-F291 HydrophobicContact CG2-CE1 4.48Å; I132-F291 HydrophobicContact CG2-CZ 4.35Å
133	R	98.2	Very high	96	Very high	58 Å²	58	21 Å²	21	22%	0.219	10%	0.103	C	C	.	.	H	α-helix	trans	-57.6	-52.2	177.2	177.7	178	-50.1	107.1	6.8	112.3	E129 Q131 S136 R137 F291 V295	E129-R133 VanDerWaalsContact O-CB 3.29Å; E129-R133 WeakPolarHBondContact O-CB 3.35Å; E129-R133 PolarHBondContact O-N 3.36Å; E129-R133 IonicContact OE1-NH2 2.78Å; E129-R133 PolarHBondContact OE1-NH2 3.45Å; Q131-R133 VanDerWaalsContact C-N 3.28Å; Q131-R133 PolarHBondContact O-N 2.95Å; R133-S136 WeakPolarHBondContact O-CB 3.48Å; R133-S136 PolarHBondContact O-N 2.62Å; R133-R137 PolarHBondContact O-N 2.99Å; R133-F291 HydrophobicContact CB-CE1 4.16Å; R133-F291 HydrophobicContact CB-CE2 4.15Å; R133-F291 HydrophobicContact CB-CZ 3.74Å; R133-F291 WeakPolarHBondContact CD-O 3.48Å; R133-F291 HydrophobicContact CG-CZ 4.4Å; R133-F291 WeakPolarHBondContact CG-O 3.45Å; R133-F291 PolarHBondContact NE-O 2.65Å; R133-V295 HydrophobicContact CG-CG2 3.51Å
134	F	98.4	Very high	96.6	Very high	4 Å²	4	23 Å²	23	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-47.1	-180	-175.4	-92.5	0	0	0	111.7	P130 Q131 S136 R137 E138 V169 V295 D299 R300 V302 I303	P130-F134 PolarHBondContact O-N 3.39Å; P130-F134 VanDerWaalsContact O-N 3.14Å; Q131-F134 PolarHBondContact O-N 3.39Å; F134-S136 VanDerWaalsContact C-N 3.3Å; F134-S136 PolarHBondContact O-N 3.49Å; F134-R137 PolarHBondContact O-N 3.46Å; F134-E138 HydrophobicContact CD1-CG 4.28Å; F134-E138 HydrophobicContact CE1-CG 3.79Å; F134-E138 HydrophobicContact CZ-CG 3.99Å; F134-E138 PolarHBondContact O-N 3.41Å; F134-V169 HydrophobicContact CD1-CG2 4.38Å; F134-V169 HydrophobicContact CE1-CG2 4.14Å; F134-V295 HydrophobicContact CD2-CG1 3.72Å; F134-V295 HydrophobicContact CE2-CG1 4.26Å; F134-D299 HydrophobicContact CD2-CB 3.78Å; F134-D299 HydrophobicContact CE2-CB 4.3Å; F134-R300 HydrophobicContact CE1-CB 4.45Å; F134-R300 HydrophobicContact CE1-CG 4.32Å; F134-R300 VanDerWaalsContact CE2-CA 3.47Å; F134-R300 HydrophobicContact CE2-CB 3.89Å; F134-R300 VanDerWaalsContact CZ-CA 3.49Å; F134-R300 HydrophobicContact CZ-CB 3.63Å; F134-R300 HydrophobicContact CZ-CG 3.84Å; F134-V302 HydrophobicContact CB-CG2 3.68Å; F134-V302 HydrophobicContact CD1-CG2 4.44Å; F134-V302 HydrophobicContact CG-CG2 4.04Å; F134-I303 HydrophobicContact CD1-CD1 3.94Å; F134-I303 HydrophobicContact CD1-CG1 3.41Å; F134-I303 VanDerWaalsContact CD1-CG1 3.41Å; F134-I303 HydrophobicContact CE1-CD1 4.5Å; F134-I303 HydrophobicContact CE1-CG1 3.59Å; F134-I303 HydrophobicContact CG-CG1 4.43Å
135	V	98.6	Very high	97.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.3	-43.5	176.1	170.7	0	0	0	0	110.8	L116 Q131 I132 R137 E138 V139 I161 V169 L228 I303	L116-V135 HydrophobicContact CD1-CG1 3.68Å; L116-V135 HydrophobicContact CD1-CG2 4.12Å; Q131-V135 WeakPolarHBondContact O-CB 3.39Å; Q131-V135 VanDerWaalsContact O-CG2 3.3Å; Q131-V135 WeakPolarHBondContact O-CG2 3.36Å; Q131-V135 PolarHBondContact O-N 2.9Å; I132-V135 PolarHBondContact O-N 3.2Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.39Å; V135-E138 PolarHBondContact O-N 3.43Å; V135-V139 HydrophobicContact CG1-CG2 3.9Å; V135-V139 WeakPolarHBondContact O-CB 3.37Å; V135-V139 WeakPolarHBondContact O-CG2 3.49Å; V135-V139 PolarHBondContact O-N 3.42Å; V135-I161 HydrophobicContact CG1-CG2 4.3Å; V135-V169 HydrophobicContact CG2-CG2 4.44Å; V135-L228 HydrophobicContact CG1-CD1 4.06Å; V135-I303 HydrophobicContact CG2-CD1 3.9Å
136	S	98.6	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.1	-46.6	179.8	-65	0	0	0	0	111.7	I132 R133 F134 L140 L225	I132-S136 WeakPolarHBondContact O-CB 3.26Å; I132-S136 PolarHBondContact O-N 2.89Å; I132-S136 PolarHBondContact O-OG 3.2Å; R133-S136 WeakPolarHBondContact O-CB 3.48Å; R133-S136 PolarHBondContact O-N 2.62Å; F134-S136 VanDerWaalsContact C-N 3.3Å; F134-S136 PolarHBondContact O-N 3.49Å; S136-L140 WeakPolarHBondContact O-CB 3.39Å; S136-L140 WeakPolarHBondContact O-CG 3.4Å; S136-L140 PolarHBondContact O-N 2.83Å; S136-L225 WeakPolarHBondContact OG-CD2 3.23Å
137	R	98.4	Very high	97.6	Very high	53 Å²	53	18.9 Å²	18.9	20%	0.2	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-48.7	177.9	178.6	168.6	170.2	151.9	-20.9	112.5	R133 F134 V135 L140 Q141 L287 V292 S293 V295	R133-R137 PolarHBondContact O-N 2.99Å; F134-R137 PolarHBondContact O-N 3.46Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.39Å; R137-L140 PolarHBondContact O-N 3.3Å; R137-Q141 WeakPolarHBondContact O-CG 3.49Å; R137-Q141 PolarHBondContact O-N 2.87Å; R137-L287 HydrophobicContact CG-CD2 4.19Å; R137-V292 HydrophobicContact CB-CB 4.22Å; R137-V292 PolarHBondContact NH1-O 3.04Å; R137-V292 VanDerWaalsContact NH1-O 3.08Å; R137-S293 PolarHBondContact NH1-O 2.91Å; R137-V295 VanDerWaalsContact CD-CB 3.42Å; R137-V295 VanDerWaalsContact NH1-C 3.34Å; R137-V295 PolarHBondContact NH1-O 3.39Å; R137-V295 PolarHBondContact NH2-O 3.27Å
138	E	98.4	Very high	97.6	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-38.4	-177.7	-68.4	-66.7	104.7	0	0	111.9	K89 N90 F134 V135 Q141 G142 V169	K89-E138 VanDerWaalsContact NZ-CD 3.35Å; K89-E138 IonicContact NZ-OE1 2.72Å; K89-E138 PolarHBondContact NZ-OE1 3.22Å; K89-E138 IonicContact NZ-OE2 3.76Å; K89-E138 PolarHBondContact NZ-OE2 3.06Å; N90-E138 WeakPolarHBondContact CB-O 3.37Å; N90-E138 PolarHBondContact ND2-OE2 3.02Å; N90-E138 PolarHBondContact OD1-O 3.43Å; F134-E138 HydrophobicContact CD1-CG 4.28Å; F134-E138 HydrophobicContact CE1-CG 3.79Å; F134-E138 HydrophobicContact CZ-CG 3.99Å; F134-E138 PolarHBondContact O-N 3.41Å; V135-E138 PolarHBondContact O-N 3.43Å; E138-Q141 PolarHBondContact O-N 2.95Å; E138-Q141 PolarHBondContact OE1-OE1 2.95Å; E138-G142 PolarHBondContact O-N 3.22Å; E138-G142 VanDerWaalsContact O-N 3.09Å; E138-V169 HydrophobicContact CB-CB 3.68Å; E138-V169 HydrophobicContact CB-CG1 4.07Å; E138-V169 HydrophobicContact CB-CG2 3.99Å; E138-V169 HydrophobicContact CG-CB 4.21Å; E138-V169 HydrophobicContact CG-CG2 4.12Å
139	V	98.6	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-44.9	173.1	167.9	0	0	0	0	110.7	V135 Q141 G142 L143 M156 I161 V169 L171 F221	V135-V139 HydrophobicContact CG1-CG2 3.9Å; V135-V139 WeakPolarHBondContact O-CB 3.37Å; V135-V139 WeakPolarHBondContact O-CG2 3.49Å; V135-V139 PolarHBondContact O-N 3.42Å; V139-Q141 VanDerWaalsContact C-N 3.34Å; V139-Q141 PolarHBondContact O-N 3.47Å; V139-G142 PolarHBondContact O-N 2.96Å; V139-L143 HydrophobicContact CG1-CD1 4.03Å; V139-L143 HydrophobicContact CG1-CG 4.38Å; V139-L143 WeakPolarHBondContact O-CG 3.28Å; V139-L143 PolarHBondContact O-N 3.39Å; V139-M156 HydrophobicContact CG1-CE 3.65Å; V139-I161 HydrophobicContact CG2-CD1 3.79Å; V139-I161 HydrophobicContact CG2-CG1 4.15Å; V139-I161 HydrophobicContact CG2-CG2 4.15Å; V139-V169 HydrophobicContact CG2-CG1 4.18Å; V139-L171 HydrophobicContact CB-CD2 4.43Å; V139-L171 HydrophobicContact CG1-CD2 4.13Å; V139-L171 HydrophobicContact CG2-CD2 4.04Å; V139-F221 HydrophobicContact CB-CE2 4.09Å; V139-F221 HydrophobicContact CG1-CD2 3.63Å; V139-F221 HydrophobicContact CG1-CE2 3.68Å
140	L	98.7	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-37.1	178.1	-76.9	173.7	0	0	0	112.8	S136 R137 G142 L143 E144 F221 F268 C283 L286 L287 V292	S136-L140 WeakPolarHBondContact O-CB 3.39Å; S136-L140 WeakPolarHBondContact O-CG 3.4Å; S136-L140 PolarHBondContact O-N 2.83Å; R137-L140 PolarHBondContact O-N 3.3Å; L140-G142 VanDerWaalsContact C-N 3.35Å; L140-L143 PolarHBondContact O-N 3.49Å; L140-E144 VanDerWaalsContact O-CB 3.28Å; L140-E144 WeakPolarHBondContact O-CB 2.99Å; L140-E144 PolarHBondContact O-N 3.39Å; L140-F221 HydrophobicContact CD1-CE1 4.36Å; L140-F221 HydrophobicContact CD2-CD1 4.19Å; L140-F221 HydrophobicContact CD2-CE1 3.89Å; L140-F221 HydrophobicContact CD2-CZ 4.4Å; L140-F221 HydrophobicContact CG-CE1 4.03Å; L140-F221 HydrophobicContact CG-CZ 4.1Å; L140-F268 HydrophobicContact CD1-CE2 4.2Å; L140-F268 HydrophobicContact CD1-CZ 3.79Å; L140-C283 HydrophobicContact CD2-CB 4.41Å; L140-L286 HydrophobicContact CD1-CB 3.69Å; L140-L286 HydrophobicContact CD2-CB 3.97Å; L140-L286 HydrophobicContact CD2-CD1 3.8Å; L140-L287 HydrophobicContact CB-CD2 3.7Å; L140-L287 HydrophobicContact CB-CG 3.96Å; L140-L287 HydrophobicContact CD1-CD2 4.37Å; L140-L287 HydrophobicContact CD1-CG 4.48Å; L140-V292 HydrophobicContact CD1-CG2 4.43Å
141	Q	98.3	Very high	97	Very high	40 Å²	40	25 Å²	25	19%	0.187	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-39.8	173.5	-72.3	-179.8	-14.6	0	0	111.8	R137 E138 V139 F145 L287	R137-Q141 WeakPolarHBondContact O-CG 3.49Å; R137-Q141 PolarHBondContact O-N 2.87Å; E138-Q141 PolarHBondContact O-N 2.95Å; E138-Q141 PolarHBondContact OE1-OE1 2.95Å; V139-Q141 VanDerWaalsContact C-N 3.34Å; V139-Q141 PolarHBondContact O-N 3.47Å; Q141-F145 PolarHBondContact O-N 3.25Å; Q141-L287 HydrophobicContact CG-CD1 4.35Å; Q141-L287 HydrophobicContact CG-CD2 3.89Å
142	G	97.8	Very high	96.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-46.6	172.7	0	0	0	0	0	112.7	E138 V139 L140 F145 L146	E138-G142 PolarHBondContact O-N 3.22Å; E138-G142 VanDerWaalsContact O-N 3.09Å; V139-G142 PolarHBondContact O-N 2.96Å; L140-G142 VanDerWaalsContact C-N 3.35Å; G142-F145 PolarHBondContact O-N 3.44Å; G142-L146 WeakPolarHBondContact O-CG 3.34Å; G142-L146 PolarHBondContact O-N 3.02Å; G142-L146 VanDerWaalsContact O-N 3.14Å
143	L	98.2	Very high	96.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-42.3	178.4	-72.9	177.2	0	0	0	112.4	V139 L140 F145 L146 H147 H153 M156 L171 D217 F221 C283	V139-L143 HydrophobicContact CG1-CD1 4.03Å; V139-L143 HydrophobicContact CG1-CG 4.38Å; V139-L143 WeakPolarHBondContact O-CG 3.28Å; V139-L143 PolarHBondContact O-N 3.39Å; L140-L143 PolarHBondContact O-N 3.49Å; L143-F145 VanDerWaalsContact C-N 3.32Å; L143-F145 PolarHBondContact O-N 3.48Å; L143-L146 HydrophobicContact CD2-CD1 4.46Å; L143-L146 PolarHBondContact O-N 3.49Å; L143-L146 VanDerWaalsContact O-N 3.16Å; L143-H147 WeakPolarHBondContact O-CB 3.43Å; L143-H147 PolarHBondContact O-CD2 2.89Å; L143-H147 PolarHBondContact O-N 3.03Å; L143-H153 HydrophobicContact CD2-CB 4.39Å; L143-M156 HydrophobicContact CD1-CE 4.35Å; L143-M156 HydrophobicContact CD2-CG 4.16Å; L143-M156 HydrophobicContact CD2-SD 3.89Å; L143-L171 HydrophobicContact CD2-CD1 4.13Å; L143-L171 HydrophobicContact CG-CD1 4.11Å; L143-D217 HydrophobicContact CD2-CB 4.09Å; L143-F221 HydrophobicContact CD1-CB 4.36Å; L143-C283 VanDerWaalsContact CB-SG 3.51Å
144	E	98.1	Very high	96.2	Very high	49 Å²	49	23.2 Å²	23.2	23%	0.229	10%	0.104	C	C	.	.	H	α-helix	trans	-54.7	-50.1	175.3	-176.3	177.3	-128.1	0	0	110.6	L140 L146 H147 E148 C283 R284 L287	L140-E144 VanDerWaalsContact O-CB 3.28Å; L140-E144 WeakPolarHBondContact O-CB 2.99Å; L140-E144 PolarHBondContact O-N 3.39Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.48Å; E144-H147 PolarHBondContact O-N 2.98Å; E144-E148 WeakPolarHBondContact O-CB 3.44Å; E144-E148 WeakPolarHBondContact O-CG 3.4Å; E144-E148 PolarHBondContact O-N 3.2Å; E144-C283 HydrophobicContact CB-CB 3.66Å; E144-C283 HydrophobicContact CG-CB 4.29Å; E144-R284 WeakPolarHBondContact OE1-CA 3.4Å; E144-R284 WeakPolarHBondContact OE1-CB 3.37Å; E144-L287 HydrophobicContact CB-CD1 4.37Å; E144-L287 WeakPolarHBondContact OE2-CD1 3.39Å
145	F	97.7	Very high	95.9	Very high	33 Å²	33	23.6 Å²	23.6	15%	0.145	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-42.8	177.3	172.9	-103.1	0	0	0	112.8	F86 H88 I91 Q141 G142 L143 K149	F86-F145 HydrophobicContact CB-CE1 3.69Å; F86-F145 HydrophobicContact CB-CZ 3.92Å; H88-F145 HydrophobicContact CB-CD1 3.46Å; H88-F145 VanDerWaalsContact CB-CD1 3.46Å; H88-F145 HydrophobicContact CB-CD2 4.22Å; H88-F145 HydrophobicContact CB-CE1 3.51Å; H88-F145 HydrophobicContact CB-CE2 4.27Å; H88-F145 HydrophobicContact CB-CG 3.82Å; H88-F145 HydrophobicContact CB-CZ 3.93Å; H88-F145 AromaticContact CG-CD1 3.92Å; H88-F145 AromaticContact CG-CG 3.84Å; I91-F145 HydrophobicContact CG1-CD1 4.05Å; I91-F145 HydrophobicContact CG1-CE1 4.37Å; Q141-F145 PolarHBondContact O-N 3.25Å; G142-F145 PolarHBondContact O-N 3.44Å; L143-F145 VanDerWaalsContact C-N 3.32Å; L143-F145 PolarHBondContact O-N 3.48Å; F145-K149 WeakPolarHBondContact O-CG 3.48Å; F145-K149 PolarHBondContact O-N 3.36Å
146	L	96.2	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-45.1	176.5	-68.9	171.4	0	0	0	111.4	I91 G142 L143 E144 K149 L150 I151 L171 F174	I91-L146 HydrophobicContact CD1-CD1 3.76Å; I91-L146 HydrophobicContact CD1-CD2 4Å; I91-L146 HydrophobicContact CD1-CG 3.81Å; G142-L146 WeakPolarHBondContact O-CG 3.34Å; G142-L146 PolarHBondContact O-N 3.02Å; G142-L146 VanDerWaalsContact O-N 3.14Å; L143-L146 HydrophobicContact CD2-CD1 4.46Å; L143-L146 PolarHBondContact O-N 3.49Å; L143-L146 VanDerWaalsContact O-N 3.16Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.48Å; L146-K149 CarbonylContact O-C 3.5Å; L146-K149 WeakPolarHBondContact O-CA 3.46Å; L146-K149 PolarHBondContact O-N 2.9Å; L146-L150 PolarHBondContact O-N 2.95Å; L146-I151 CarbonylContact C-O 3.48Å; L146-I151 HydrophobicContact CB-CB 4.14Å; L146-I151 HydrophobicContact CB-CG2 4.43Å; L146-I151 HydrophobicContact CD2-CB 4.22Å; L146-I151 HydrophobicContact CD2-CD1 4.07Å; L146-I151 HydrophobicContact CD2-CG2 4.03Å; L146-I151 WeakPolarHBondContact O-CB 3.5Å; L146-I151 PolarHBondContact O-N 2.91Å; L146-L171 HydrophobicContact CD1-CD1 4.38Å; L146-F174 HydrophobicContact CD1-CE1 3.84Å; L146-F174 HydrophobicContact CD2-CE1 3.99Å
147	H	95.7	Very high	95.7	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.065	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-38.9	-176.7	-64.9	-176.2	0	0	0	111.4	L143 E144 K149 L150 I151 W214 D217	L143-H147 WeakPolarHBondContact O-CB 3.43Å; L143-H147 PolarHBondContact O-CD2 2.89Å; L143-H147 PolarHBondContact O-N 3.03Å; E144-H147 PolarHBondContact O-N 2.98Å; H147-K149 PolarHBondContact O-N 3.16Å; H147-L150 WeakPolarHBondContact O-CA 3.34Å; H147-L150 PolarHBondContact O-N 3.41Å; H147-I151 PolarHBondContact CD2-O 2.98Å; H147-W214 HydrophobicContact CB-CB 4.23Å; H147-W214 HydrophobicContact CB-CG 4.02Å; H147-W214 PolarHBondContact CE1-O 2.99Å; H147-W214 VanDerWaalsContact CE1-O 3.29Å; H147-W214 AromaticContact CG-CD1 3.7Å; H147-W214 AromaticContact CG-CG 3.8Å; H147-W214 AromaticContact ND1-CD1 3.41Å; H147-W214 AromaticContact ND1-CG 3.89Å; H147-D217 IonicContact CD2-OD2 3.45Å; H147-D217 IonicContact CE1-OD2 3.51Å; H147-D217 IonicContact NE2-OD2 2.91Å; H147-D217 PolarHBondContact NE2-OD2 3.32Å
148	E	94.7	Very high	95.6	Very high	125 Å²	125	23 Å²	23	58%	0.584	11%	0.105	S	C	*	.	H	α-helix	trans	-59	-29.5	170.7	-77.5	-173.6	169.1	0	0	113.1	E144 L150	E144-E148 WeakPolarHBondContact O-CB 3.44Å; E144-E148 WeakPolarHBondContact O-CG 3.4Å; E144-E148 PolarHBondContact O-N 3.2Å; E148-L150 VanDerWaalsContact C-N 3.29Å
149	K	93.1	Very high	95.4	Very high	100 Å²	100	23.5 Å²	23.5	44%	0.435	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	11.4	175.5	-57.6	-56.7	177.6	-155.3	0	112.8	F86 F145 L146 H147 I151	F86-K149 HydrophobicContact CD1-CB 3.95Å; F86-K149 HydrophobicContact CD1-CD 4.25Å; F86-K149 HydrophobicContact CD1-CG 3.69Å; F86-K149 HydrophobicContact CE1-CB 3.74Å; F86-K149 HydrophobicContact CE1-CD 4.08Å; F86-K149 HydrophobicContact CE1-CG 3.8Å; F86-K149 HydrophobicContact CZ-CB 4.47Å; F145-K149 WeakPolarHBondContact O-CG 3.48Å; F145-K149 PolarHBondContact O-N 3.36Å; L146-K149 CarbonylContact O-C 3.5Å; L146-K149 WeakPolarHBondContact O-CA 3.46Å; L146-K149 PolarHBondContact O-N 2.9Å; H147-K149 PolarHBondContact O-N 3.16Å; K149-I151 HydrophobicContact CB-CD1 4.04Å; K149-I151 HydrophobicContact CB-CG1 4.32Å; K149-I151 PolarHBondContact O-N 3.18Å
150	L	91.6	Very high	95.3	Very high	31 Å²	31	24.3 Å²	24.3	16%	0.162	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	35	-179.7	-53.2	179.4	0	0	0	113	L146 H147 E148 K179 L180 E183 W214	L146-L150 PolarHBondContact O-N 2.95Å; H147-L150 WeakPolarHBondContact O-CA 3.34Å; H147-L150 PolarHBondContact O-N 3.41Å; E148-L150 VanDerWaalsContact C-N 3.29Å; L150-K179 CarbonylContact O-C 3.59Å; L150-L180 HydrophobicContact CB-CB 4.04Å; L150-L180 PolarHBondContact O-N 3.36Å; L150-E183 HydrophobicContact CD2-CB 4.41Å; L150-E183 HydrophobicContact CD2-CG 3.59Å; L150-W214 HydrophobicContact CD2-CE3 4.47Å; L150-W214 HydrophobicContact CD2-CH2 4.15Å; L150-W214 HydrophobicContact CD2-CZ3 3.75Å
151	I	92.6	Very high	95.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.3	176	-61	165.9	0	0	0	108.9	I82 F86 L146 H147 K149 A178 K179	I82-I151 HydrophobicContact CD1-CG2 4.01Å; I82-I151 HydrophobicContact CG1-CD1 4.3Å; I82-I151 HydrophobicContact CG2-CD1 4.24Å; F86-I151 HydrophobicContact CD1-CD1 4.27Å; F86-I151 HydrophobicContact CD2-CD1 3.48Å; F86-I151 VanDerWaalsContact CD2-CD1 3.48Å; F86-I151 HydrophobicContact CE1-CD1 4.33Å; F86-I151 HydrophobicContact CE2-CD1 3.6Å; F86-I151 HydrophobicContact CG-CD1 3.85Å; F86-I151 HydrophobicContact CZ-CD1 4.01Å; L146-I151 CarbonylContact C-O 3.48Å; L146-I151 HydrophobicContact CB-CB 4.14Å; L146-I151 HydrophobicContact CB-CG2 4.43Å; L146-I151 HydrophobicContact CD2-CB 4.22Å; L146-I151 HydrophobicContact CD2-CD1 4.07Å; L146-I151 HydrophobicContact CD2-CG2 4.03Å; L146-I151 WeakPolarHBondContact O-CB 3.5Å; L146-I151 PolarHBondContact O-N 2.91Å; H147-I151 PolarHBondContact CD2-O 2.98Å; K149-I151 HydrophobicContact CB-CD1 4.04Å; K149-I151 HydrophobicContact CB-CG1 4.32Å; K149-I151 PolarHBondContact O-N 3.18Å; I151-A178 WeakPolarHBondContact CA-O 3.47Å; I151-K179 HydrophobicContact CG1-CG 4.19Å
152	I	92.8	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.6	170.4	-46.2	176.6	0	0	0	107.9	R154 S177 A178 L180 R187 Y212 W214	I152-R154 HydrophobicContact CB-CG 4.02Å; I152-R154 HydrophobicContact CG2-CG 3.48Å; I152-R154 VanDerWaalsContact CG2-CG 3.48Å; I152-S177 CarbonylContact O-C 3.44Å; I152-S177 VanDerWaalsContact O-CA 3.24Å; I152-S177 WeakPolarHBondContact O-CA 3.35Å; I152-S177 WeakPolarHBondContact O-CB 3.42Å; I152-A178 PolarHBondContact N-O 3.37Å; I152-A178 PolarHBondContact O-N 3.36Å; I152-L180 HydrophobicContact CD1-CD1 4.14Å; I152-L180 HydrophobicContact CD1-CD2 3.95Å; I152-L180 HydrophobicContact CD1-CG 4.24Å; I152-L180 HydrophobicContact CG1-CD1 4.28Å; I152-L180 HydrophobicContact CG1-CG 4.39Å; I152-R187 HydrophobicContact CD1-CG 4.5Å; I152-Y212 HydrophobicContact CD1-CD2 4.35Å; I152-Y212 HydrophobicContact CD1-CE2 4.29Å; I152-W214 HydrophobicContact CG1-CB 4.14Å
153	H	93.3	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.			trans	-70.6	-47.8	-179.2	-170.8	-78.1	0	0	0	112.1	L143 D155 M156 A172 D173 F174 S177 D217	L143-H153 HydrophobicContact CD2-CB 4.39Å; H153-D155 PolarHBondContact CE1-O 3.14Å; H153-D155 VanDerWaalsContact ND1-C 3.35Å; H153-D155 PolarHBondContact ND1-N 2.83Å; H153-D155 PolarHBondContact O-N 3.33Å; H153-D155 VanDerWaalsContact O-N 3.13Å; H153-M156 HydrophobicContact CB-CG 4.12Å; H153-M156 HydrophobicContact CB-SD 4.26Å; H153-M156 PolarHBondContact ND1-N 3.49Å; H153-A172 PolarHBondContact CE1-O 3.09Å; H153-A172 PolarHBondContact NE2-O 3.26Å; H153-A172 VanDerWaalsContact NE2-O 3.11Å; H153-D173 PolarHBondContact CE1-O 2.91Å; H153-F174 AromaticContact CD2-CE1 3.77Å; H153-S177 PolarHBondContact O-OG 3.22Å; H153-D217 PolarHBondContact N-OD1 2.92Å; H153-D217 PolarHBondContact N-OD2 3.05Å
154	R	91.2	Very high	95.1	Very high	31 Å²	31	24.2 Å²	24.2	12%	0.117	12%	0.117	C	C	.	.			trans	69	-13.7	177.8	-56	-166.1	-74.1	173.5	4.4	117.7	I152 V176 S177 T189 Y212 D217	I152-R154 HydrophobicContact CB-CG 4.02Å; I152-R154 HydrophobicContact CG2-CG 3.48Å; I152-R154 VanDerWaalsContact CG2-CG 3.48Å; R154-V176 HydrophobicContact CB-CG2 4.45Å; R154-V176 PolarHBondContact NE-O 2.97Å; R154-V176 PolarHBondContact NH2-O 3.16Å; R154-S177 PolarHBondContact NH2-O 2.92Å; R154-T189 PolarHBondContact NH1-OG1 2.96Å; R154-Y212 WeakPolarHBondContact CD-OH 3.44Å; R154-Y212 HydrophobicContact CG-CE2 4.3Å; R154-Y212 PolarHBondContact NH1-OH 2.97Å; R154-D217 PolarHBondContact N-OD1 3.49Å
155	D	91.3	Very high	94.8	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.07	14%	0.136	C	C	.	.			trans	-129.1	48.9	175.4	-159.8	37.8	0	0	0	113.6	H153 K157 N160 V176 T193	H153-D155 PolarHBondContact CE1-O 3.14Å; H153-D155 VanDerWaalsContact ND1-C 3.35Å; H153-D155 PolarHBondContact ND1-N 2.83Å; H153-D155 PolarHBondContact O-N 3.33Å; H153-D155 VanDerWaalsContact O-N 3.13Å; D155-K157 VanDerWaalsContact CG-NZ 3.35Å; D155-K157 PolarHBondContact O-N 3.19Å; D155-K157 IonicContact OD1-NZ 3.82Å; D155-K157 PolarHBondContact OD1-NZ 2.95Å; D155-K157 WeakPolarHBondContact OD2-CE 3.27Å; D155-K157 IonicContact OD2-NZ 3.09Å; D155-K157 PolarHBondContact OD2-NZ 2.85Å; D155-N160 PolarHBondContact O-ND2 3.27Å; D155-N160 PolarHBondContact OD2-ND2 3.31Å; D155-N160 VanDerWaalsContact OD2-ND2 3.09Å; D155-V176 HydrophobicContact CB-CG2 3.69Å; D155-T193 PolarHBondContact OD1-N 2.95Å; D155-T193 PolarHBondContact OD1-OG1 3.49Å
156	M	96.2	Very high	94.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.155	C	C	.	.			trans	-73	122.3	175.4	-74.1	-59.7	-57.2	0	0	111.5	V139 L143 H153 I161 L171 D217	V139-M156 HydrophobicContact CG1-CE 3.65Å; L143-M156 HydrophobicContact CD1-CE 4.35Å; L143-M156 HydrophobicContact CD2-CG 4.16Å; L143-M156 HydrophobicContact CD2-SD 3.89Å; H153-M156 HydrophobicContact CB-CG 4.12Å; H153-M156 HydrophobicContact CB-SD 4.26Å; H153-M156 PolarHBondContact ND1-N 3.49Å; M156-I161 HydrophobicContact CE-CG1 4.5Å; M156-L171 HydrophobicContact CE-CD2 3.77Å; M156-L171 HydrophobicContact SD-CD1 4.37Å; M156-L171 HydrophobicContact SD-CD2 4.18Å; M156-D217 HydrophobicContact CG-CB 4.35Å
157	K	96.7	Very high	94.6	Very high	39 Å²	39	31.3 Å²	31.3	17%	0.17	16%	0.163	C	C	.	.	S	Bend	trans	-164	164.6	178.1	57.9	-169.6	168.9	-162.2	0	110.3	D155 G159 N160 T193 W196 T224	D155-K157 VanDerWaalsContact CG-NZ 3.35Å; D155-K157 PolarHBondContact O-N 3.19Å; D155-K157 IonicContact OD1-NZ 3.82Å; D155-K157 PolarHBondContact OD1-NZ 2.95Å; D155-K157 WeakPolarHBondContact OD2-CE 3.27Å; D155-K157 IonicContact OD2-NZ 3.09Å; D155-K157 PolarHBondContact OD2-NZ 2.85Å; K157-G159 PolarHBondContact O-N 3.42Å; K157-N160 VanDerWaalsContact CE-ND2 3.26Å; K157-N160 WeakPolarHBondContact CE-ND2 3.09Å; K157-N160 HydrophobicContact CG-CB 4.19Å; K157-N160 PolarHBondContact O-N 3.06Å; K157-T193 PolarHBondContact NZ-OG1 3Å; K157-W196 HydrophobicContact CB-CD2 3.95Å; K157-W196 HydrophobicContact CB-CG 4.18Å; K157-W196 HydrophobicContact CB-CZ2 3.91Å; K157-T224 WeakPolarHBondContact CA-OG1 3.49Å
158	A	97.2	Very high	94.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.9	-30	-178.5	0	0	0	0	0	113.3	L116 D117 M120 N160 I161 T224 E227 L228	L116-A158 HydrophobicContact CB-CB 4.23Å; L116-A158 PolarHBondContact N-O 3.44Å; D117-A158 HydrophobicContact CB-CB 4.19Å; M120-A158 HydrophobicContact CE-CB 4.04Å; A158-N160 PolarHBondContact O-N 3.13Å; A158-I161 PolarHBondContact O-N 3.33Å; A158-T224 HydrophobicContact CB-CG2 4.33Å; A158-E227 HydrophobicContact CB-CG 3.99Å; A158-E227 WeakPolarHBondContact CB-OE1 3.21Å; A158-E227 WeakPolarHBondContact CB-OE2 3.27Å; A158-E227 PolarHBondContact N-OE2 3.48Å; A158-L228 HydrophobicContact CB-CD2 3.75Å
159	G	94.1	Very high	94.9	Very high	16 Å²	16	27.7 Å²	27.7	17%	0.165	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-64.1	-21.1	174.3	0	0	0	0	0	115	A115 D117 K157	A115-G159 WeakPolarHBondContact CB-O 3.29Å; D117-G159 VanDerWaalsContact CG-CA 3.43Å; D117-G159 WeakPolarHBondContact OD2-CA 3.45Å; K157-G159 PolarHBondContact O-N 3.42Å
160	N	95	Very high	95.1	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.091	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-103.1	7.7	179.7	-72.2	-1.9	0	0	0	112.7	D155 K157 A158 A172	D155-N160 PolarHBondContact O-ND2 3.27Å; D155-N160 PolarHBondContact OD2-ND2 3.31Å; D155-N160 VanDerWaalsContact OD2-ND2 3.09Å; K157-N160 VanDerWaalsContact CE-ND2 3.26Å; K157-N160 WeakPolarHBondContact CE-ND2 3.09Å; K157-N160 HydrophobicContact CG-CB 4.19Å; K157-N160 PolarHBondContact O-N 3.06Å; A158-N160 PolarHBondContact O-N 3.13Å; N160-A172 PolarHBondContact O-N 2.95Å
161	I	98.3	Very high	95.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.7	172.2	-58.1	167.1	0	0	0	107.7	A115 L116 V135 V139 M156 A158 V169 L171 T224	A115-I161 WeakPolarHBondContact CA-O 3.49Å; L116-I161 HydrophobicContact CD1-CB 3.85Å; L116-I161 HydrophobicContact CD1-CD1 4.32Å; L116-I161 HydrophobicContact CD1-CG2 3.49Å; L116-I161 VanDerWaalsContact CD1-CG2 3.49Å; L116-I161 HydrophobicContact CG-CB 4.2Å; L116-I161 HydrophobicContact CG-CG2 4Å; L116-I161 PolarHBondContact N-O 2.81Å; V135-I161 HydrophobicContact CG1-CG2 4.3Å; V139-I161 HydrophobicContact CG2-CD1 3.79Å; V139-I161 HydrophobicContact CG2-CG1 4.15Å; V139-I161 HydrophobicContact CG2-CG2 4.15Å; M156-I161 HydrophobicContact CE-CG1 4.5Å; A158-I161 PolarHBondContact O-N 3.33Å; I161-V169 HydrophobicContact CG2-CG1 3.58Å; I161-L171 HydrophobicContact CG1-CD2 4.09Å; I161-T224 HydrophobicContact CD1-CG2 3.79Å
162	L	97.8	Very high	95.4	Very high	33 Å²	33	22.3 Å²	22.3	17%	0.173	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	148.2	-175.1	-53.3	-175.2	0	0	0	111.7	L92 C111 G114 A115 K170 A172	L92-L162 HydrophobicContact CD1-CD1 4.29Å; L92-L162 HydrophobicContact CD2-CD1 4.45Å; C111-L162 HydrophobicContact CB-CB 3.57Å; C111-L162 HydrophobicContact CB-CD1 3.99Å; C111-L162 HydrophobicContact CB-CG 4.39Å; G114-L162 WeakPolarHBondContact O-CA 3.25Å; A115-L162 HydrophobicContact CB-CD2 3.65Å; L162-K170 PolarHBondContact N-O 2.53Å; L162-K170 PolarHBondContact O-N 3.27Å; L162-A172 HydrophobicContact CD1-CB 3.52Å; L162-A172 HydrophobicContact CG-CB 3.79Å
163	L	98	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.3	173.7	-60.6	-176.2	0	0	0	111.8	C111 G113 G114 L116 I119 E168 V169 I303 L306 L307	C111-L163 CarbonylContact C-O 3.57Å; C111-L163 WeakPolarHBondContact CA-O 3.5Å; C111-L163 WeakPolarHBondContact CB-O 3.35Å; G113-L163 WeakPolarHBondContact CA-O 3.32Å; G113-L163 PolarHBondContact N-O 3.29Å; G114-L163 PolarHBondContact O-N 3.37Å; L116-L163 HydrophobicContact CD2-CD1 3.67Å; L116-L163 HydrophobicContact CD2-CD2 4.2Å; L116-L163 HydrophobicContact CD2-CG 3.87Å; I119-L163 HydrophobicContact CD1-CD1 3.6Å; I119-L163 HydrophobicContact CD1-CG 4.33Å; L163-E168 CarbonylContact C-O 3.55Å; L163-E168 VanDerWaalsContact CA-O 3.3Å; L163-E168 WeakPolarHBondContact CA-O 3.44Å; L163-V169 HydrophobicContact CD2-CB 4.32Å; L163-V169 HydrophobicContact CD2-CG2 3.73Å; L163-I303 HydrophobicContact CD1-CG2 3.98Å; L163-I303 HydrophobicContact CD2-CD1 4.38Å; L163-I303 HydrophobicContact CD2-CG2 4.14Å; L163-L306 HydrophobicContact CD1-CD2 4.13Å; L163-L307 HydrophobicContact CB-CD2 4.22Å; L163-L307 HydrophobicContact CD1-CD2 3.96Å; L163-L307 HydrophobicContact CD1-CG 4.39Å
164	T	96	Very high	94.9	Very high	5 Å²	5	24 Å²	24	3%	0.031	13%	0.132	C	C	.	.			trans	-84.1	161.3	169.4	72.2	0	0	0	0	111.1	S166 N167 E168 K170 L307	T164-S166 PolarHBondContact O-N 3.4Å; T164-S166 PolarHBondContact OG1-N 3.29Å; T164-N167 PolarHBondContact O-N 3.46Å; T164-E168 HydrophobicContact CG2-CB 4.16Å; T164-E168 PolarHBondContact N-O 3Å; T164-E168 VanDerWaalsContact OG1-CB 3.28Å; T164-E168 WeakPolarHBondContact OG1-CB 3.35Å; T164-E168 PolarHBondContact OG1-N 3.05Å; T164-E168 VanDerWaalsContact OG1-N 3.12Å; T164-E168 PolarHBondContact OG1-OE2 3.47Å; T164-K170 HydrophobicContact CG2-CD 3.73Å; T164-K170 HydrophobicContact CG2-CG 4.39Å; T164-L307 VanDerWaalsContact O-CD1 3.29Å; T164-L307 WeakPolarHBondContact O-CD1 3.43Å
165	L	92	Very high	94.3	Very high	120 Å²	120	23.5 Å²	23.5	63%	0.628	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.1	171.5	-63.8	178.1	0	0	0	112.7	N167	L165-N167 PolarHBondContact O-N 2.93Å
166	S	93.1	Very high	93.6	Very high	80 Å²	80	24.3 Å²	24.3	56%	0.559	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	10.3	171.5	-53.1	0	0	0	0	112.8	T164 E168	T164-S166 PolarHBondContact O-N 3.4Å; T164-S166 PolarHBondContact OG1-N 3.29Å; S166-E168 VanDerWaalsContact C-N 3.33Å; S166-E168 PolarHBondContact O-N 3.4Å
167	N	95.7	Very high	93	Very high	31 Å²	31	24.2 Å²	24.2	17%	0.166	14%	0.142	C	C	.	.	S	Bend	trans	64.8	31.7	-179.6	-43.1	-54.2	0	0	0	113.7	T164 L165 R300 I303 Q304	T164-N167 PolarHBondContact O-N 3.46Å; L165-N167 PolarHBondContact O-N 2.93Å; N167-R300 HydrophobicContact CB-CG 3.76Å; N167-R300 WeakPolarHBondContact O-CD 3.27Å; N167-R300 WeakPolarHBondContact O-CG 3.48Å; N167-R300 PolarHBondContact O-NH1 2.95Å; N167-I303 HydrophobicContact CB-CB 4.14Å; N167-I303 HydrophobicContact CB-CG2 3.84Å; N167-Q304 VanDerWaalsContact OD1-CA 3.3Å; N167-Q304 WeakPolarHBondContact OD1-CA 3.43Å
168	E	97.5	Very high	92.2	Very high	61 Å²	61	22.7 Å²	22.7	29%	0.285	14%	0.136	S	C	.	.			trans	-97.8	146	176.4	-53.9	164.3	129.8	0	0	111.1	L163 T164 S166	L163-E168 CarbonylContact C-O 3.55Å; L163-E168 VanDerWaalsContact CA-O 3.3Å; L163-E168 WeakPolarHBondContact CA-O 3.44Å; T164-E168 HydrophobicContact CG2-CB 4.16Å; T164-E168 PolarHBondContact N-O 3Å; T164-E168 VanDerWaalsContact OG1-CB 3.28Å; T164-E168 WeakPolarHBondContact OG1-CB 3.35Å; T164-E168 PolarHBondContact OG1-N 3.05Å; T164-E168 VanDerWaalsContact OG1-N 3.12Å; T164-E168 PolarHBondContact OG1-OE2 3.47Å; S166-E168 VanDerWaalsContact C-N 3.33Å; S166-E168 PolarHBondContact O-N 3.4Å
169	V	98.4	Very high	91.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.3	176.9	-179.1	0	0	0	0	108.6	N90 F134 V135 E138 V139 I161 L163	N90-V169 WeakPolarHBondContact CA-O 3.37Å; N90-V169 PolarHBondContact ND2-O 2.92Å; F134-V169 HydrophobicContact CD1-CG2 4.38Å; F134-V169 HydrophobicContact CE1-CG2 4.14Å; V135-V169 HydrophobicContact CG2-CG2 4.44Å; E138-V169 HydrophobicContact CB-CB 3.68Å; E138-V169 HydrophobicContact CB-CG1 4.07Å; E138-V169 HydrophobicContact CB-CG2 3.99Å; E138-V169 HydrophobicContact CG-CB 4.21Å; E138-V169 HydrophobicContact CG-CG2 4.12Å; V139-V169 HydrophobicContact CG2-CG1 4.18Å; I161-V169 HydrophobicContact CG2-CG1 3.58Å; L163-V169 HydrophobicContact CD2-CB 4.32Å; L163-V169 HydrophobicContact CD2-CG2 3.73Å
170	K	98.3	Very high	90.4	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.043	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.7	-177.2	-65.8	-175.6	179	-108.8	0	111.8	K89 L92 E109 L162 T164	K89-K170 PolarHBondContact O-NZ 3.35Å; L92-K170 HydrophobicContact CD1-CD 4.42Å; E109-K170 WeakPolarHBondContact OE1-CE 2.96Å; E109-K170 IonicContact OE1-NZ 3.92Å; E109-K170 PolarHBondContact OE1-NZ 3.2Å; E109-K170 WeakPolarHBondContact OE2-CD 3.46Å; E109-K170 VanDerWaalsContact OE2-CE 3.28Å; E109-K170 WeakPolarHBondContact OE2-CE 3.42Å; E109-K170 IonicContact OE2-NZ 2.72Å; E109-K170 PolarHBondContact OE2-NZ 2.71Å; L162-K170 PolarHBondContact N-O 2.53Å; L162-K170 PolarHBondContact O-N 3.27Å; T164-K170 HydrophobicContact CG2-CD 3.73Å; T164-K170 HydrophobicContact CG2-CG 4.39Å
171	L	98	Very high	89.1	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	135	169.8	-56.8	-177.8	0	0	0	109.8	N90 I91 L92 V139 L143 L146 M156 I161 F174	N90-L171 PolarHBondContact O-N 3.45Å; I91-L171 HydrophobicContact CD1-CB 4.15Å; I91-L171 HydrophobicContact CD1-CD1 4.15Å; I91-L171 HydrophobicContact CD1-CG 4.5Å; L92-L171 WeakPolarHBondContact CB-O 3.38Å; L92-L171 PolarHBondContact N-O 3.43Å; V139-L171 HydrophobicContact CB-CD2 4.43Å; V139-L171 HydrophobicContact CG1-CD2 4.13Å; V139-L171 HydrophobicContact CG2-CD2 4.04Å; L143-L171 HydrophobicContact CD2-CD1 4.13Å; L143-L171 HydrophobicContact CG-CD1 4.11Å; L146-L171 HydrophobicContact CD1-CD1 4.38Å; M156-L171 HydrophobicContact CE-CD2 3.77Å; M156-L171 HydrophobicContact SD-CD1 4.37Å; M156-L171 HydrophobicContact SD-CD2 4.18Å; I161-L171 HydrophobicContact CG1-CD2 4.09Å; L171-F174 HydrophobicContact CB-CZ 4.46Å
172	A	93.4	Very high	87.5	Confident	8 Å²	8	32.7 Å²	32.7	7%	0.066	20%	0.195	C	C	.	.			trans	-131.4	170	-177.8	0	0	0	0	0	111.7	L92 H153 N160 L162	L92-A172 HydrophobicContact CB-CB 4.44Å; L92-A172 HydrophobicContact CD2-CB 3.91Å; H153-A172 PolarHBondContact CE1-O 3.09Å; H153-A172 PolarHBondContact NE2-O 3.26Å; H153-A172 VanDerWaalsContact NE2-O 3.11Å; N160-A172 PolarHBondContact O-N 2.95Å; L162-A172 HydrophobicContact CD1-CB 3.52Å; L162-A172 HydrophobicContact CG-CB 3.79Å
173	D	87.3	Confident	85.6	Confident	36 Å²	36	37.5 Å²	37.5	19%	0.193	22%	0.217	C	C	.	.			trans	66.3	79.7	178.3	-158.9	6.9	0	0	0	114.8	K63 H153 G175	K63-D173 IonicContact NZ-OD1 3.39Å; H153-D173 PolarHBondContact CE1-O 2.91Å; D173-G175 VanDerWaalsContact C-N 3.34Å
174	F	86.9	Confident	83	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.			trans	-95	11.4	177.3	-58.8	-92.3	0	0	0	112.6	E79 I82 L83 I91 L146 H153 L171 V176 S177	E79-F174 HydrophobicContact CB-CB 4.32Å; E79-F174 HydrophobicContact CG-CB 4.1Å; I82-F174 HydrophobicContact CD1-CB 4.41Å; I82-F174 HydrophobicContact CG2-CD1 3.82Å; I82-F174 HydrophobicContact CG2-CE1 4.25Å; I82-F174 HydrophobicContact CG2-CG 4.13Å; L83-F174 HydrophobicContact CD1-CD2 4.4Å; L83-F174 HydrophobicContact CD2-CD2 3.47Å; L83-F174 VanDerWaalsContact CD2-CD2 3.47Å; L83-F174 HydrophobicContact CD2-CE2 3.48Å; L83-F174 VanDerWaalsContact CD2-CE2 3.48Å; L83-F174 HydrophobicContact CD2-CG 4.44Å; L83-F174 HydrophobicContact CD2-CZ 4.44Å; L83-F174 HydrophobicContact CG-CD2 3.98Å; L83-F174 HydrophobicContact CG-CE2 4.46Å; I91-F174 HydrophobicContact CD1-CE1 4.49Å; I91-F174 HydrophobicContact CD1-CZ 4.04Å; I91-F174 HydrophobicContact CG2-CE2 4.11Å; I91-F174 HydrophobicContact CG2-CZ 3.75Å; L146-F174 HydrophobicContact CD1-CE1 3.84Å; L146-F174 HydrophobicContact CD2-CE1 3.99Å; H153-F174 AromaticContact CD2-CE1 3.77Å; L171-F174 HydrophobicContact CB-CZ 4.46Å; F174-V176 PolarHBondContact O-N 3.5Å; F174-V176 VanDerWaalsContact O-N 3.14Å; F174-S177 WeakPolarHBondContact CA-OG 3.21Å; F174-S177 WeakPolarHBondContact CD1-OG 3.35Å; F174-S177 WeakPolarHBondContact O-CB 3.39Å; F174-S177 PolarHBondContact O-N 3.05Å; F174-S177 PolarHBondContact O-OG 3.25Å
175	G	78.3	Confident	80.7	Confident	20 Å²	20	49 Å²	49	21%	0.206	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.2	-175.1	0	0	0	0	0	113.7	D173	D173-G175 VanDerWaalsContact C-N 3.34Å
176	V	77.2	Confident	78.9	Confident	30 Å²	30	48.2 Å²	48.2	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	17.8	175.2	-60.7	0	0	0	0	112.8	F45 R154 D155 F174 I191	F45-V176 HydrophobicContact CZ-CG1 4.46Å; R154-V176 HydrophobicContact CB-CG2 4.45Å; R154-V176 PolarHBondContact NE-O 2.97Å; R154-V176 PolarHBondContact NH2-O 3.16Å; D155-V176 HydrophobicContact CB-CG2 3.69Å; F174-V176 PolarHBondContact O-N 3.5Å; F174-V176 VanDerWaalsContact O-N 3.14Å; V176-I191 HydrophobicContact CB-CG2 3.65Å; V176-I191 HydrophobicContact CG1-CG2 3.59Å; V176-I191 HydrophobicContact CG2-CG2 4.24Å
177	S	82.9	Confident	77.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.			trans	-68.2	171.7	176.9	-69.9	0	0	0	0	112.3	L78 I82 I152 H153 R154 F174	L78-S177 WeakPolarHBondContact CD2-O 3.5Å; I82-S177 VanDerWaalsContact CD1-CB 3.49Å; I152-S177 CarbonylContact O-C 3.44Å; I152-S177 VanDerWaalsContact O-CA 3.24Å; I152-S177 WeakPolarHBondContact O-CA 3.35Å; I152-S177 WeakPolarHBondContact O-CB 3.42Å; H153-S177 PolarHBondContact O-OG 3.22Å; R154-S177 PolarHBondContact NH2-O 2.92Å; F174-S177 WeakPolarHBondContact CA-OG 3.21Å; F174-S177 WeakPolarHBondContact CD1-OG 3.35Å; F174-S177 WeakPolarHBondContact O-CB 3.39Å; F174-S177 PolarHBondContact O-N 3.05Å; F174-S177 PolarHBondContact O-OG 3.25Å
178	A	80.6	Confident	75.5	Confident	6 Å²	6	49.2 Å²	49.2	5%	0.05	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	132.5	175.1	0	0	0	0	0	111.4	I151 I152 R187	I151-A178 WeakPolarHBondContact CA-O 3.47Å; I152-A178 PolarHBondContact N-O 3.37Å; I152-A178 PolarHBondContact O-N 3.36Å; A178-R187 HydrophobicContact CB-CG 4.49Å
179	K	79.8	Confident	73.8	Confident	57 Å²	57	49.2 Å²	49.2	25%	0.248	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.4	165.8	-69.7	-178.8	179.7	-167.9	0	109.6	L78 D81 L150 I151 R187	L78-K179 HydrophobicContact CD1-CD 4.21Å; L78-K179 HydrophobicContact CD1-CG 4.08Å; D81-K179 IonicContact OD1-NZ 3.85Å; D81-K179 PolarHBondContact OD1-NZ 2.97Å; D81-K179 WeakPolarHBondContact OD2-CE 3.45Å; D81-K179 IonicContact OD2-NZ 2.6Å; D81-K179 PolarHBondContact OD2-NZ 3.47Å; L150-K179 CarbonylContact O-C 3.59Å; I151-K179 HydrophobicContact CG1-CG 4.19Å; K179-R187 PolarHBondContact O-NH2 3.49Å
180	L	75.1	Confident	71.9	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.063	28%	0.275	C	S	.	.			trans	-87.6	146.4	168.6	-48.8	166.5	0	0	0	109.1	L150 I152 Q185 R187 W214	L150-L180 HydrophobicContact CB-CB 4.04Å; L150-L180 PolarHBondContact O-N 3.36Å; I152-L180 HydrophobicContact CD1-CD1 4.14Å; I152-L180 HydrophobicContact CD1-CD2 3.95Å; I152-L180 HydrophobicContact CD1-CG 4.24Å; I152-L180 HydrophobicContact CG1-CD1 4.28Å; I152-L180 HydrophobicContact CG1-CG 4.39Å; L180-Q185 HydrophobicContact CB-CB 4.4Å; L180-R187 HydrophobicContact CD2-CG 3.72Å; L180-W214 HydrophobicContact CD1-CE3 3.56Å; L180-W214 HydrophobicContact CD1-CZ3 3.67Å
181	A	67.7	Low	70.5	Confident	90 Å²	90	55 Å²	55	74%	0.744	29%	0.289	S	S	*	.	S	Bend	trans	-76.6	-26.7	177.4	0	0	0	0	0	112.5
182	D	62.8	Low	68.9	Low	85 Å²	85	56.2 Å²	56.2	46%	0.455	30%	0.302	S	S	.	.	S	Bend	trans	-158.7	161.9	177.7	-172.1	17.1	0	0	0	109.5	K184 Q185	D182-K184 PolarHBondContact O-N 2.94Å; D182-Q185 WeakPolarHBondContact O-CB 3.38Å; D182-Q185 PolarHBondContact O-N 3.47Å
183	E	59.3	Low	68.2	Low	134 Å²	134	57.6 Å²	57.6	63%	0.626	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.6	179.7	-73.5	177.9	-174.1	0	0	113.2	L150 Q185 W214	L150-E183 HydrophobicContact CD2-CB 4.41Å; L150-E183 HydrophobicContact CD2-CG 3.59Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-W214 HydrophobicContact CB-CH2 4.15Å; E183-W214 HydrophobicContact CG-CH2 4.16Å
184	K	44	Very low	68.2	Low	182 Å²	182	57.5 Å²	57.5	79%	0.791	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.3	178.1	-64.9	178.6	-176.7	173.2	0	113	D182	D182-K184 PolarHBondContact O-N 2.94Å
185	Q	46.3	Very low	68.4	Low	66 Å²	66	59.8 Å²	59.8	31%	0.308	32%	0.32	S	S	.	.			trans	-74.6	135.3	-178.4	-170	176.7	25.2	0	0	109.7	L180 D182 E183	L180-Q185 HydrophobicContact CB-CB 4.4Å; D182-Q185 WeakPolarHBondContact O-CB 3.38Å; D182-Q185 PolarHBondContact O-N 3.47Å; E183-Q185 VanDerWaalsContact C-N 3.32Å
186	K	55.3	Low	69.3	Low	103 Å²	103	60 Å²	60	45%	0.448	32%	0.315	S	S	.	.			trans	-126	156.6	176.6	-66.7	172.4	164	-163.5	0	108.2	P211 Y212 N213	K186-P211 HydrophobicContact CB-CB 3.28Å; K186-P211 HydrophobicContact CB-CG 3.35Å; K186-P211 HydrophobicContact CD-CG 3.88Å; K186-P211 WeakPolarHBondContact CD-O 3.37Å; K186-P211 HydrophobicContact CG-CG 4.26Å; K186-Y212 CarbonylContact C-O 3.55Å; K186-Y212 WeakPolarHBondContact CA-O 3.47Å; K186-Y212 WeakPolarHBondContact CB-O 3.36Å; K186-N213 HydrophobicContact CG-CB 4.43Å
187	R	63.6	Low	70	Confident	71 Å²	71	59 Å²	59	27%	0.268	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-107.3	152.7	-175.9	-64.4	-63.5	-177.6	-165.9	-0.8	112.6	I152 A178 K179 L180 C204 P211 Y212	I152-R187 HydrophobicContact CD1-CG 4.5Å; A178-R187 HydrophobicContact CB-CG 4.49Å; K179-R187 PolarHBondContact O-NH2 3.49Å; L180-R187 HydrophobicContact CD2-CG 3.72Å; R187-C204 PolarHBondContact O-SG 3.29Å; R187-C204 VanDerWaalsContact O-SG 3.42Å; R187-P211 CarbonylContact O-C 3.6Å; R187-P211 WeakPolarHBondContact O-CA 3.34Å; R187-P211 VanDerWaalsContact O-CB 3.26Å; R187-P211 WeakPolarHBondContact O-CB 3.39Å; R187-Y212 HydrophobicContact CB-CD1 4.42Å; R187-Y212 HydrophobicContact CB-CE1 3.96Å; R187-Y212 HydrophobicContact CB-CE2 4.37Å; R187-Y212 PolarHBondContact N-O 2.99Å; R187-Y212 WeakPolarHBondContact O-CD1 3.47Å; R187-Y212 WeakPolarHBondContact O-CE1 3.29Å; R187-Y212 PolarHBondContact O-N 3.03Å
188	S	52.4	Low	70.5	Confident	60 Å²	60	59 Å²	59	42%	0.42	31%	0.308	S	S	.	.			trans	-120.9	8.7	-178.4	54.6	0	0	0	0	114.2
189	T	62.7	Low	71	Confident	61 Å²	61	59 Å²	59	37%	0.374	31%	0.308	S	S	.	.			trans	-86.5	128.1	-176.4	51.8	0	0	0	0	111.8	R154 I191 Y212	R154-T189 PolarHBondContact NH1-OG1 2.96Å; T189-I191 PolarHBondContact O-N 3.42Å; T189-Y212 WeakPolarHBondContact O-CE1 3.27Å; T189-Y212 PolarHBondContact O-OH 3.49Å; T189-Y212 VanDerWaalsContact O-OH 3.1Å
190	F	58.6	Low	71.6	Confident	66 Å²	66	57 Å²	57	29%	0.289	30%	0.3	S	S	.	.			trans	-82.4	91.4	176.7	-176	-101.1	0	0	0	111.4	M197 I202 E205 L244	F190-M197 HydrophobicContact CD2-CE 3.64Å; F190-M197 HydrophobicContact CE1-CE 4.44Å; F190-M197 HydrophobicContact CE2-CE 3.34Å; F190-M197 HydrophobicContact CE2-SD 4.15Å; F190-M197 HydrophobicContact CG-CE 4.31Å; F190-M197 HydrophobicContact CZ-CE 3.78Å; F190-M197 HydrophobicContact CZ-SD 4.06Å; F190-I202 HydrophobicContact CE2-CB 4.37Å; F190-I202 HydrophobicContact CE2-CG1 4.3Å; F190-I202 HydrophobicContact CE2-CG2 4.27Å; F190-E205 HydrophobicContact CB-CB 3.92Å; F190-E205 HydrophobicContact CB-CG 3.98Å; F190-E205 WeakPolarHBondContact CD1-OE2 3.17Å; F190-E205 HydrophobicContact CD2-CB 3.93Å; F190-E205 HydrophobicContact CD2-CG 4.48Å; F190-E205 WeakPolarHBondContact CD2-OE2 3.34Å; F190-E205 HydrophobicContact CG-CB 4.07Å; F190-E205 HydrophobicContact CG-CG 4.18Å; F190-E205 VanDerWaalsContact CG-OE2 3.24Å; F190-E205 WeakPolarHBondContact CG-OE2 3.16Å; F190-L244 HydrophobicContact CZ-CD1 3.83Å; F190-L244 HydrophobicContact CZ-CD2 4.27Å
191	I	69.7	Low	72.2	Confident	67 Å²	67	56.9 Å²	56.9	34%	0.344	30%	0.299	S	S	.	.			trans	-140.2	139.1	-179.8	-54.6	174.4	0	0	0	109	V176 T189	V176-I191 HydrophobicContact CB-CG2 3.65Å; V176-I191 HydrophobicContact CG1-CG2 3.59Å; V176-I191 HydrophobicContact CG2-CG2 4.24Å; T189-I191 PolarHBondContact O-N 3.42Å
192	G	63.3	Low	73	Confident	27 Å²	27	53 Å²	53	28%	0.278	27%	0.266	S	S	.	.	S	Bend	trans	149.9	172.3	175.7	0	0	0	0	0	111.8	P194	G192-P194 WeakPolarHBondContact O-CD 3.5Å
193	T	79.4	Confident	73.8	Confident	37 Å²	37	51.6 Å²	51.6	23%	0.227	26%	0.258	C	S	.	.			trans	-83.5	117.7	172.7	-51.1	0	0	0	0	110	D155 K157 Y195 W196 M197	D155-T193 PolarHBondContact OD1-N 2.95Å; D155-T193 PolarHBondContact OD1-OG1 3.49Å; K157-T193 PolarHBondContact NZ-OG1 3Å; T193-Y195 VanDerWaalsContact C-N 3.28Å; T193-Y195 PolarHBondContact O-N 3.32Å; T193-W196 HydrophobicContact CG2-CE3 3.43Å; T193-W196 VanDerWaalsContact CG2-CE3 3.43Å; T193-W196 HydrophobicContact CG2-CH2 4.41Å; T193-W196 HydrophobicContact CG2-CZ3 3.25Å; T193-W196 PolarHBondContact O-N 3.04Å; T193-M197 WeakPolarHBondContact O-CG 3.4Å; T193-M197 PolarHBondContact O-N 3.4Å
194	P	86.2	Confident	74.4	Confident	34 Å²	34	45.3 Å²	45.3	22%	0.221	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-49.3	-36.9	-164.7	-34.4	37.4	0	0	0	117.1	G192 W196 M197 P240 L244 I247	G192-P194 WeakPolarHBondContact O-CD 3.5Å; P194-W196 VanDerWaalsContact C-N 3.27Å; P194-W196 PolarHBondContact O-N 3.44Å; P194-M197 PolarHBondContact O-N 3.41Å; P194-P240 HydrophobicContact CB-CB 4.04Å; P194-P240 HydrophobicContact CG-CB 4.1Å; P194-L244 HydrophobicContact CB-CD2 4.06Å; P194-I247 WeakPolarHBondContact O-CD1 3.45Å
195	Y	92.3	Very high	75.2	Confident	47 Å²	47	40.6 Å²	40.6	18%	0.184	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-70	-20.9	-177.5	-52.2	-91.3	0	0	0	114	T193 I223 P233 H235 T238 P240 V243	T193-Y195 VanDerWaalsContact C-N 3.28Å; T193-Y195 PolarHBondContact O-N 3.32Å; Y195-I223 WeakPolarHBondContact O-CG2 3.26Å; Y195-P233 HydrophobicContact CG-CG 4.31Å; Y195-H235 WeakPolarHBondContact CE1-O 3.43Å; Y195-T238 WeakPolarHBondContact CE1-O 3.18Å; Y195-T238 PolarHBondContact OH-O 2.9Å; Y195-T238 VanDerWaalsContact OH-O 3.13Å; Y195-P240 HydrophobicContact CE2-CG 4.37Å; Y195-V243 HydrophobicContact CD1-CB 4.36Å; Y195-V243 HydrophobicContact CD1-CG1 4.02Å; Y195-V243 HydrophobicContact CD1-CG2 3.85Å; Y195-V243 HydrophobicContact CE1-CG2 3.7Å
196	W	96.1	Very high	75.6	Confident	26 Å²	26	40.1 Å²	40.1	10%	0.098	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-105.1	-5.7	179.5	-63	-104.6	0	0	0	112.8	K157 T193 P194 S220 I223 E227 P233	K157-W196 HydrophobicContact CB-CD2 3.95Å; K157-W196 HydrophobicContact CB-CG 4.18Å; K157-W196 HydrophobicContact CB-CZ2 3.91Å; T193-W196 HydrophobicContact CG2-CE3 3.43Å; T193-W196 VanDerWaalsContact CG2-CE3 3.43Å; T193-W196 HydrophobicContact CG2-CH2 4.41Å; T193-W196 HydrophobicContact CG2-CZ3 3.25Å; T193-W196 PolarHBondContact O-N 3.04Å; P194-W196 VanDerWaalsContact C-N 3.27Å; P194-W196 PolarHBondContact O-N 3.44Å; W196-S220 WeakPolarHBondContact O-CA 3.49Å; W196-S220 PolarHBondContact O-OG 2.92Å; W196-I223 HydrophobicContact CB-CB 4.44Å; W196-I223 HydrophobicContact CB-CG2 4.29Å; W196-I223 VanDerWaalsContact CD1-CG2 3.44Å; W196-I223 HydrophobicContact CD2-CG2 4.49Å; W196-I223 HydrophobicContact CG-CB 4.31Å; W196-I223 HydrophobicContact CG-CG2 3.81Å; W196-E227 WeakPolarHBondContact CZ2-OE1 3.38Å; W196-E227 WeakPolarHBondContact CZ2-OE2 3.42Å; W196-E227 PolarHBondContact NE1-OE2 3.44Å; W196-P233 HydrophobicContact CD2-CB 4.42Å; W196-P233 HydrophobicContact CH2-CB 4.34Å; W196-P233 HydrophobicContact CH2-CG 3.64Å; W196-P233 HydrophobicContact CZ2-CB 3.88Å; W196-P233 HydrophobicContact CZ2-CG 3.57Å; W196-P233 HydrophobicContact CZ3-CG 4.18Å
197	M	92.5	Very high	75.6	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.034	21%	0.214	C	C	.	.			trans	-65.7	137.9	-173.4	-69.4	-178.8	74.6	0	0	112.3	F190 T193 P194 V201 I202 W219 L244	F190-M197 HydrophobicContact CD2-CE 3.64Å; F190-M197 HydrophobicContact CE1-CE 4.44Å; F190-M197 HydrophobicContact CE2-CE 3.34Å; F190-M197 HydrophobicContact CE2-SD 4.15Å; F190-M197 HydrophobicContact CG-CE 4.31Å; F190-M197 HydrophobicContact CZ-CE 3.78Å; F190-M197 HydrophobicContact CZ-SD 4.06Å; T193-M197 WeakPolarHBondContact O-CG 3.4Å; T193-M197 PolarHBondContact O-N 3.4Å; P194-M197 PolarHBondContact O-N 3.41Å; M197-V201 HydrophobicContact CE-CB 4.27Å; M197-V201 HydrophobicContact CE-CG1 3.53Å; M197-I202 HydrophobicContact CB-CD1 4.26Å; M197-I202 HydrophobicContact CB-CG1 4.09Å; M197-I202 HydrophobicContact CE-CG1 4.3Å; M197-W219 PolarHBondContact O-NE1 3.38Å; M197-L244 HydrophobicContact SD-CD2 4.13Å
198	A	93.1	Very high	75.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.			trans	-75.4	147	174.5	0	0	0	0	0	111.6	E200 V201 I202 A216 W219	A198-E200 VanDerWaalsContact CB-CD 3.42Å; A198-E200 HydrophobicContact CB-CG 4.37Å; A198-E200 WeakPolarHBondContact CB-OE1 3.49Å; A198-E200 WeakPolarHBondContact CB-OE2 3.32Å; A198-E200 PolarHBondContact O-N 3.25Å; A198-E200 VanDerWaalsContact O-N 3.17Å; A198-V201 HydrophobicContact CB-CG2 4.1Å; A198-V201 WeakPolarHBondContact O-CB 3.37Å; A198-V201 PolarHBondContact O-N 3.21Å; A198-I202 PolarHBondContact O-N 3.45Å; A198-A216 HydrophobicContact CB-CB 4.11Å; A198-W219 HydrophobicContact CB-CB 3.67Å; A198-W219 HydrophobicContact CB-CD2 4.46Å; A198-W219 HydrophobicContact CB-CG 3.7Å
199	P	92	Very high	75.2	Confident	7 Å²	7	50.3 Å²	50.3	5%	0.045	26%	0.258	C	S	.	.	H	α-helix	trans	-52.3	-39.5	179.3	-24.9	31.1	0	0	0	113.3	V201 I202 N203 W219 I247 L248 K275	P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 3.25Å; P199-I202 PolarHBondContact O-N 3.26Å; P199-N203 WeakPolarHBondContact O-CB 3.48Å; P199-N203 VanDerWaalsContact O-CG 3.27Å; P199-N203 PolarHBondContact O-N 3.09Å; P199-N203 PolarHBondContact O-ND2 2.92Å; P199-W219 HydrophobicContact CG-CE3 4.35Å; P199-W219 HydrophobicContact CG-CH2 3.9Å; P199-W219 HydrophobicContact CG-CZ2 4.08Å; P199-W219 HydrophobicContact CG-CZ3 4.05Å; P199-I247 HydrophobicContact CB-CG2 4.24Å; P199-I247 HydrophobicContact CG-CG2 3.74Å; P199-L248 HydrophobicContact CB-CD2 4.23Å; P199-K275 HydrophobicContact CG-CG 4.22Å
200	E	91.3	Very high	75.1	Confident	16 Å²	16	49.3 Å²	49.3	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-28.7	179.5	66.9	-85.4	-161	0	0	113.9	A198 C204 A216 P277 R280	A198-E200 VanDerWaalsContact CB-CD 3.42Å; A198-E200 HydrophobicContact CB-CG 4.37Å; A198-E200 WeakPolarHBondContact CB-OE1 3.49Å; A198-E200 WeakPolarHBondContact CB-OE2 3.32Å; A198-E200 PolarHBondContact O-N 3.25Å; A198-E200 VanDerWaalsContact O-N 3.17Å; E200-C204 PolarHBondContact O-N 3.44Å; E200-C204 PolarHBondContact O-SG 2.94Å; E200-A216 WeakPolarHBondContact OE1-CA 3.43Å; E200-P277 HydrophobicContact CB-CG 4.43Å; E200-P277 HydrophobicContact CG-CG 4.42Å; E200-R280 IonicContact OE1-CZ 2.85Å; E200-R280 IonicContact OE1-NH1 3.01Å; E200-R280 PolarHBondContact OE1-NH1 3.39Å; E200-R280 IonicContact OE1-NH2 3.01Å; E200-R280 PolarHBondContact OE1-NH2 2.87Å; E200-R280 IonicContact OE2-CZ 2.65Å; E200-R280 IonicContact OE2-NH1 3.24Å; E200-R280 IonicContact OE2-NH2 3.73Å; E200-R280 PolarHBondContact OE2-NH2 2.97Å; E200-R280 VanDerWaalsContact OE2-NH2 3.11Å
201	V	86.9	Confident	75.5	Confident	8 Å²	8	48.1 Å²	48.1	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-39.2	175.1	-178.1	0	0	0	0	109.7	M197 A198 P199 C204 Y212 A216	M197-V201 HydrophobicContact CE-CB 4.27Å; M197-V201 HydrophobicContact CE-CG1 3.53Å; A198-V201 HydrophobicContact CB-CG2 4.1Å; A198-V201 WeakPolarHBondContact O-CB 3.37Å; A198-V201 PolarHBondContact O-N 3.21Å; P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 3.25Å; V201-C204 PolarHBondContact O-N 3.22Å; V201-Y212 HydrophobicContact CB-CD1 4.43Å; V201-Y212 HydrophobicContact CB-CE1 4.49Å; V201-Y212 HydrophobicContact CG1-CE1 4.09Å; V201-Y212 HydrophobicContact CG2-CD1 4.08Å; V201-Y212 HydrophobicContact CG2-CD2 3.84Å; V201-Y212 HydrophobicContact CG2-CE1 4.28Å; V201-Y212 HydrophobicContact CG2-CE2 4Å; V201-Y212 HydrophobicContact CG2-CG 3.88Å; V201-A216 HydrophobicContact CG2-CB 3.62Å
202	I	84.4	Confident	76	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-44.1	175.3	-54.4	172.2	0	0	0	110	F190 M197 A198 P199 C204 E205 L244 I247 L248	F190-I202 HydrophobicContact CE2-CB 4.37Å; F190-I202 HydrophobicContact CE2-CG1 4.3Å; F190-I202 HydrophobicContact CE2-CG2 4.27Å; M197-I202 HydrophobicContact CB-CD1 4.26Å; M197-I202 HydrophobicContact CB-CG1 4.09Å; M197-I202 HydrophobicContact CE-CG1 4.3Å; A198-I202 PolarHBondContact O-N 3.45Å; P199-I202 PolarHBondContact O-N 3.26Å; I202-C204 VanDerWaalsContact C-N 3.25Å; I202-C204 PolarHBondContact O-N 2.88Å; I202-E205 PolarHBondContact O-N 3.22Å; I202-L244 HydrophobicContact CD1-CB 4.34Å; I202-L244 HydrophobicContact CD1-CD2 3.65Å; I202-L244 HydrophobicContact CG1-CD2 3.95Å; I202-L244 HydrophobicContact CG2-CB 4.44Å; I202-I247 HydrophobicContact CD1-CB 3.89Å; I202-I247 HydrophobicContact CD1-CD1 3.99Å; I202-I247 HydrophobicContact CD1-CG2 3.64Å; I202-L248 HydrophobicContact CB-CD2 4.19Å; I202-L248 HydrophobicContact CG2-CD1 3.79Å; I202-L248 HydrophobicContact CG2-CD2 4.21Å; I202-L248 HydrophobicContact CG2-CG 4.09Å
203	N	80.7	Confident	77.1	Confident	55 Å²	55	45.4 Å²	45.4	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-24.5	179.8	-74.6	-22.9	0	0	0	114.2	P199 E205 T206 F207 L248	P199-N203 WeakPolarHBondContact O-CB 3.48Å; P199-N203 VanDerWaalsContact O-CG 3.27Å; P199-N203 PolarHBondContact O-N 3.09Å; P199-N203 PolarHBondContact O-ND2 2.92Å; N203-E205 VanDerWaalsContact C-N 3.29Å; N203-E205 PolarHBondContact O-N 2.7Å; N203-T206 VanDerWaalsContact C-OG1 3.29Å; N203-T206 VanDerWaalsContact CA-OG1 3.31Å; N203-T206 WeakPolarHBondContact CA-OG1 3.45Å; N203-T206 PolarHBondContact O-N 3.03Å; N203-T206 PolarHBondContact O-OG1 3.29Å; N203-F207 PolarHBondContact O-N 3.43Å; N203-L248 WeakPolarHBondContact OD1-CD2 3.49Å
204	C	70.9	Confident	77.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-30.5	177.4	-80.8	0	0	0	0	114.2	R187 E200 V201 I202 T206 F207 A210 P211 Y212	R187-C204 PolarHBondContact O-SG 3.29Å; R187-C204 VanDerWaalsContact O-SG 3.42Å; E200-C204 PolarHBondContact O-N 3.44Å; E200-C204 PolarHBondContact O-SG 2.94Å; V201-C204 PolarHBondContact O-N 3.22Å; I202-C204 VanDerWaalsContact C-N 3.25Å; I202-C204 PolarHBondContact O-N 2.88Å; C204-T206 VanDerWaalsContact C-N 3.29Å; C204-F207 CarbonylContact O-C 3.54Å; C204-A210 PolarHBondContact SG-O 3.25Å; C204-P211 VanDerWaalsContact SG-CA 3.52Å; C204-Y212 HydrophobicContact CB-CD1 4.31Å; C204-Y212 VanDerWaalsContact SG-CD1 3.52Å
205	E	61.8	Low	78.2	Confident	84 Å²	84	44.5 Å²	44.5	39%	0.393	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-38.2	175	-159.4	175.9	-173.5	0	0	110.7	F190 I202 N203	F190-E205 HydrophobicContact CB-CB 3.92Å; F190-E205 HydrophobicContact CB-CG 3.98Å; F190-E205 WeakPolarHBondContact CD1-OE2 3.17Å; F190-E205 HydrophobicContact CD2-CB 3.93Å; F190-E205 HydrophobicContact CD2-CG 4.48Å; F190-E205 WeakPolarHBondContact CD2-OE2 3.34Å; F190-E205 HydrophobicContact CG-CB 4.07Å; F190-E205 HydrophobicContact CG-CG 4.18Å; F190-E205 VanDerWaalsContact CG-OE2 3.24Å; F190-E205 WeakPolarHBondContact CG-OE2 3.16Å; I202-E205 PolarHBondContact O-N 3.22Å; N203-E205 VanDerWaalsContact C-N 3.29Å; N203-E205 PolarHBondContact O-N 2.7Å
206	T	54.5	Low	78.3	Confident	56 Å²	56	42.4 Å²	42.4	34%	0.344	22%	0.215	S	C	.	.	H	α-helix	trans	-80.7	-37.7	-179.3	45.9	0	0	0	0	113.8	N203 C204 T442	N203-T206 VanDerWaalsContact C-OG1 3.29Å; N203-T206 VanDerWaalsContact CA-OG1 3.31Å; N203-T206 WeakPolarHBondContact CA-OG1 3.45Å; N203-T206 PolarHBondContact O-N 3.03Å; N203-T206 PolarHBondContact O-OG1 3.29Å; C204-T206 VanDerWaalsContact C-N 3.29Å; T206-T442 HydrophobicContact CG2-CG2 3.62Å
207	F	55	Low	78.4	Confident	113 Å²	113	41.2 Å²	41.2	50%	0.496	21%	0.211	S	C	.	.			trans	-125.5	98	-179.5	-59.2	-78.9	0	0	0	108.6	N203 C204 D209 A210	N203-F207 PolarHBondContact O-N 3.43Å; C204-F207 CarbonylContact O-C 3.54Å; F207-D209 PolarHBondContact O-N 3.32Å; F207-A210 HydrophobicContact CB-CB 3.77Å; F207-A210 PolarHBondContact O-N 3.17Å
208	K	53.5	Low	78.6	Confident	175 Å²	175	40.9 Å²	40.9	76%	0.761	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.8	176.7	-69.7	-175.7	178.4	178.6	0	113
209	D	55.3	Low	78.9	Confident	159 Å²	159	40.9 Å²	40.9	85%	0.85	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	4	177.9	-60.8	-34.9	0	0	0	114.7	F207 P211	F207-D209 PolarHBondContact O-N 3.32Å; D209-P211 WeakPolarHBondContact O-CD 3.41Å
210	A	60.1	Low	79.2	Confident	40 Å²	40	40.9 Å²	40.9	33%	0.331	21%	0.209	S	C	.	.			trans	-110.4	51.4	-179.8	0	0	0	0	0	113.9	C204 F207	C204-A210 PolarHBondContact SG-O 3.25Å; F207-A210 HydrophobicContact CB-CB 3.77Å; F207-A210 PolarHBondContact O-N 3.17Å
211	P	67.2	Low	79.5	Confident	41 Å²	41	40.2 Å²	40.2	27%	0.266	21%	0.206	S	C	.	.			trans	-67	153.6	-167.8	35	-42.2	0	0	0	113.1	K186 R187 C204 D209	K186-P211 HydrophobicContact CB-CB 3.28Å; K186-P211 HydrophobicContact CB-CG 3.35Å; K186-P211 HydrophobicContact CD-CG 3.88Å; K186-P211 WeakPolarHBondContact CD-O 3.37Å; K186-P211 HydrophobicContact CG-CG 4.26Å; R187-P211 CarbonylContact O-C 3.6Å; R187-P211 WeakPolarHBondContact O-CA 3.34Å; R187-P211 VanDerWaalsContact O-CB 3.26Å; R187-P211 WeakPolarHBondContact O-CB 3.39Å; C204-P211 VanDerWaalsContact SG-CA 3.52Å; D209-P211 WeakPolarHBondContact O-CD 3.41Å
212	Y	79.9	Confident	80	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.016	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-105.7	161.9	-179.3	67.7	-86.7	0	0	0	113.5	I152 R154 K186 R187 T189 V201 C204 A216	I152-Y212 HydrophobicContact CD1-CD2 4.35Å; I152-Y212 HydrophobicContact CD1-CE2 4.29Å; R154-Y212 WeakPolarHBondContact CD-OH 3.44Å; R154-Y212 HydrophobicContact CG-CE2 4.3Å; R154-Y212 PolarHBondContact NH1-OH 2.97Å; K186-Y212 CarbonylContact C-O 3.55Å; K186-Y212 WeakPolarHBondContact CA-O 3.47Å; K186-Y212 WeakPolarHBondContact CB-O 3.36Å; R187-Y212 HydrophobicContact CB-CD1 4.42Å; R187-Y212 HydrophobicContact CB-CE1 3.96Å; R187-Y212 HydrophobicContact CB-CE2 4.37Å; R187-Y212 PolarHBondContact N-O 2.99Å; R187-Y212 WeakPolarHBondContact O-CD1 3.47Å; R187-Y212 WeakPolarHBondContact O-CE1 3.29Å; R187-Y212 PolarHBondContact O-N 3.03Å; T189-Y212 WeakPolarHBondContact O-CE1 3.27Å; T189-Y212 PolarHBondContact O-OH 3.49Å; T189-Y212 VanDerWaalsContact O-OH 3.1Å; V201-Y212 HydrophobicContact CB-CD1 4.43Å; V201-Y212 HydrophobicContact CB-CE1 4.49Å; V201-Y212 HydrophobicContact CG1-CE1 4.09Å; V201-Y212 HydrophobicContact CG2-CD1 4.08Å; V201-Y212 HydrophobicContact CG2-CD2 3.84Å; V201-Y212 HydrophobicContact CG2-CE1 4.28Å; V201-Y212 HydrophobicContact CG2-CE2 4Å; V201-Y212 HydrophobicContact CG2-CG 3.88Å; C204-Y212 HydrophobicContact CB-CD1 4.31Å; C204-Y212 VanDerWaalsContact SG-CD1 3.52Å; Y212-A216 HydrophobicContact CD2-CB 3.9Å; Y212-A216 HydrophobicContact CE2-CB 4.49Å
213	N	86.9	Confident	80.7	Confident	33 Å²	33	39.5 Å²	39.5	18%	0.176	20%	0.202	C	C	.	.			trans	-123	-167.2	176	67.3	3.6	0	0	0	111.1	K186 K215 A216	K186-N213 HydrophobicContact CG-CB 4.43Å; N213-K215 PolarHBondContact O-N 3.35Å; N213-K215 VanDerWaalsContact O-N 3.08Å; N213-K215 VanDerWaalsContact OD1-CB 3.29Å; N213-K215 WeakPolarHBondContact OD1-CB 3.02Å; N213-K215 PolarHBondContact OD1-N 2.95Å; N213-K215 VanDerWaalsContact OD1-N 3.11Å; N213-A216 PolarHBondContact O-N 3.4Å
214	W	92.8	Very high	81.6	Confident	31 Å²	31	36.9 Å²	36.9	12%	0.117	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.5	-179.1	56.5	86.8	0	0	0	115.3	H147 L150 I152 L180 E183 A216 D217	H147-W214 HydrophobicContact CB-CB 4.23Å; H147-W214 HydrophobicContact CB-CG 4.02Å; H147-W214 PolarHBondContact CE1-O 2.99Å; H147-W214 VanDerWaalsContact CE1-O 3.29Å; H147-W214 AromaticContact CG-CD1 3.7Å; H147-W214 AromaticContact CG-CG 3.8Å; H147-W214 AromaticContact ND1-CD1 3.41Å; H147-W214 AromaticContact ND1-CG 3.89Å; L150-W214 HydrophobicContact CD2-CE3 4.47Å; L150-W214 HydrophobicContact CD2-CH2 4.15Å; L150-W214 HydrophobicContact CD2-CZ3 3.75Å; I152-W214 HydrophobicContact CG1-CB 4.14Å; L180-W214 HydrophobicContact CD1-CE3 3.56Å; L180-W214 HydrophobicContact CD1-CZ3 3.67Å; E183-W214 HydrophobicContact CB-CH2 4.15Å; E183-W214 HydrophobicContact CG-CH2 4.16Å; W214-A216 PolarHBondContact O-N 3.27Å; W214-A216 VanDerWaalsContact O-N 3.15Å; W214-D217 WeakPolarHBondContact O-CB 3.43Å; W214-D217 PolarHBondContact O-N 2.91Å
215	K	95.4	Very high	82.9	Confident	22 Å²	22	36.9 Å²	36.9	10%	0.096	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-23.5	174.4	-68.3	-70.9	177.1	77.7	0	112.7	N213 D217 I218 W219 P277 R280 P281 E282	N213-K215 PolarHBondContact O-N 3.35Å; N213-K215 VanDerWaalsContact O-N 3.08Å; N213-K215 VanDerWaalsContact OD1-CB 3.29Å; N213-K215 WeakPolarHBondContact OD1-CB 3.02Å; N213-K215 PolarHBondContact OD1-N 2.95Å; N213-K215 VanDerWaalsContact OD1-N 3.11Å; K215-D217 PolarHBondContact O-N 2.71Å; K215-I218 HydrophobicContact CD-CG1 4.27Å; K215-I218 WeakPolarHBondContact O-CB 3.44Å; K215-I218 PolarHBondContact O-N 2.98Å; K215-W219 PolarHBondContact O-N 3.37Å; K215-P277 HydrophobicContact CB-CB 4.19Å; K215-R280 VanDerWaalsContact C-NH1 3.34Å; K215-R280 HydrophobicContact CD-CB 4.45Å; K215-R280 WeakPolarHBondContact CE-O 3.34Å; K215-R280 PolarHBondContact NZ-O 2.93Å; K215-R280 PolarHBondContact O-NH1 2.91Å; K215-P281 WeakPolarHBondContact CD-O 3.43Å; K215-P281 WeakPolarHBondContact CE-O 3.45Å; K215-E282 HydrophobicContact CD-CG 4.49Å
216	A	94.2	Very high	84.6	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-55.4	-38.4	172.8	0	0	0	0	0	112.1	A198 E200 V201 Y212 N213 W214 I218 W219 S220	A198-A216 HydrophobicContact CB-CB 4.11Å; E200-A216 WeakPolarHBondContact OE1-CA 3.43Å; V201-A216 HydrophobicContact CG2-CB 3.62Å; Y212-A216 HydrophobicContact CD2-CB 3.9Å; Y212-A216 HydrophobicContact CE2-CB 4.49Å; N213-A216 PolarHBondContact O-N 3.4Å; W214-A216 PolarHBondContact O-N 3.27Å; W214-A216 VanDerWaalsContact O-N 3.15Å; A216-I218 PolarHBondContact O-N 2.99Å; A216-W219 PolarHBondContact O-N 3.27Å; A216-S220 PolarHBondContact O-N 3.15Å; A216-S220 VanDerWaalsContact O-N 3.16Å; A216-S220 PolarHBondContact O-OG 3.49Å
217	D	97.3	Very high	86.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-29.4	177.5	-66.4	-26.8	0	0	0	112.2	L143 H147 H153 R154 M156 W214 K215 S220 F221	L143-D217 HydrophobicContact CD2-CB 4.09Å; H147-D217 IonicContact CD2-OD2 3.45Å; H147-D217 IonicContact CE1-OD2 3.51Å; H147-D217 IonicContact NE2-OD2 2.91Å; H147-D217 PolarHBondContact NE2-OD2 3.32Å; H153-D217 PolarHBondContact N-OD1 2.92Å; H153-D217 PolarHBondContact N-OD2 3.05Å; R154-D217 PolarHBondContact N-OD1 3.49Å; M156-D217 HydrophobicContact CG-CB 4.35Å; W214-D217 WeakPolarHBondContact O-CB 3.43Å; W214-D217 PolarHBondContact O-N 2.91Å; K215-D217 PolarHBondContact O-N 2.71Å; D217-S220 PolarHBondContact O-N 3.33Å; D217-F221 VanDerWaalsContact O-CB 3.25Å; D217-F221 WeakPolarHBondContact O-CB 3.28Å; D217-F221 PolarHBondContact O-N 3.14Å
218	I	98.3	Very high	88.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.6	-35.9	178.4	-52	-59.4	0	0	0	111.4	K215 A216 G222 T272 R280 C283 L286	K215-I218 HydrophobicContact CD-CG1 4.27Å; K215-I218 WeakPolarHBondContact O-CB 3.44Å; K215-I218 PolarHBondContact O-N 2.98Å; A216-I218 PolarHBondContact O-N 2.99Å; I218-G222 PolarHBondContact O-N 3.5Å; I218-T272 HydrophobicContact CG2-CG2 4.26Å; I218-R280 HydrophobicContact CB-CG 4.08Å; I218-R280 HydrophobicContact CG2-CG 3.68Å; I218-C283 WeakPolarHBondContact CD1-SG 3.31Å; I218-L286 HydrophobicContact CD1-CD1 4.25Å; I218-L286 HydrophobicContact CG2-CD1 3.72Å
219	W	98.2	Very high	90.9	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-48.7	172.4	172.3	-80.1	0	0	0	110.9	M197 A198 P199 K215 A216 F221 G222 I223 I247 P252 L273 K275 R280	M197-W219 PolarHBondContact O-NE1 3.38Å; A198-W219 HydrophobicContact CB-CB 3.67Å; A198-W219 HydrophobicContact CB-CD2 4.46Å; A198-W219 HydrophobicContact CB-CG 3.7Å; P199-W219 HydrophobicContact CG-CE3 4.35Å; P199-W219 HydrophobicContact CG-CH2 3.9Å; P199-W219 HydrophobicContact CG-CZ2 4.08Å; P199-W219 HydrophobicContact CG-CZ3 4.05Å; K215-W219 PolarHBondContact O-N 3.37Å; A216-W219 PolarHBondContact O-N 3.27Å; W219-F221 PolarHBondContact O-N 3.16Å; W219-G222 CarbonylContact O-C 3.6Å; W219-G222 WeakPolarHBondContact O-CA 3.26Å; W219-G222 PolarHBondContact O-N 2.95Å; W219-I223 HydrophobicContact CZ2-CD1 4.47Å; W219-I223 PolarHBondContact O-N 3.47Å; W219-I247 HydrophobicContact CZ2-CG2 4.01Å; W219-P252 HydrophobicContact CH2-CB 4.32Å; W219-P252 HydrophobicContact CZ3-CB 4.47Å; W219-L273 HydrophobicContact CD2-CD2 4.01Å; W219-L273 HydrophobicContact CE3-CD2 4.09Å; W219-L273 HydrophobicContact CG-CD2 4.45Å; W219-L273 HydrophobicContact CZ3-CB 4.44Å; W219-L273 HydrophobicContact CZ3-CD2 4.41Å; W219-K275 HydrophobicContact CH2-CG 4.36Å; W219-K275 HydrophobicContact CZ3-CG 4.22Å; W219-R280 VanDerWaalsContact CB-CZ 3.49Å
220	S	97.8	Very high	92.7	Very high	7 Å²	7	12.5 Å²	12.5	5%	0.049	7%	0.07	C	C	.	.	H	α-helix	trans	-58.3	-37.2	177.7	-54.3	0	0	0	0	111.4	W196 A216 D217 I223 T224	W196-S220 WeakPolarHBondContact O-CA 3.49Å; W196-S220 PolarHBondContact O-OG 2.92Å; A216-S220 PolarHBondContact O-N 3.15Å; A216-S220 VanDerWaalsContact O-N 3.16Å; A216-S220 PolarHBondContact O-OG 3.49Å; D217-S220 PolarHBondContact O-N 3.33Å; S220-I223 PolarHBondContact O-N 3.28Å; S220-T224 WeakPolarHBondContact O-CB 3.29Å; S220-T224 PolarHBondContact O-N 2.88Å; S220-T224 PolarHBondContact O-OG1 3.48Å
221	F	98.5	Very high	94.3	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-45.9	169.9	173.9	-116.2	0	0	0	112.1	V139 L140 L143 D217 W219 I223 T224 L225 F268 T272	V139-F221 HydrophobicContact CB-CE2 4.09Å; V139-F221 HydrophobicContact CG1-CD2 3.63Å; V139-F221 HydrophobicContact CG1-CE2 3.68Å; L140-F221 HydrophobicContact CD1-CE1 4.36Å; L140-F221 HydrophobicContact CD2-CD1 4.19Å; L140-F221 HydrophobicContact CD2-CE1 3.89Å; L140-F221 HydrophobicContact CD2-CZ 4.4Å; L140-F221 HydrophobicContact CG-CE1 4.03Å; L140-F221 HydrophobicContact CG-CZ 4.1Å; L143-F221 HydrophobicContact CD1-CB 4.36Å; D217-F221 VanDerWaalsContact O-CB 3.25Å; D217-F221 WeakPolarHBondContact O-CB 3.28Å; D217-F221 PolarHBondContact O-N 3.14Å; W219-F221 PolarHBondContact O-N 3.16Å; F221-I223 VanDerWaalsContact C-N 3.32Å; F221-I223 PolarHBondContact O-N 3.44Å; F221-T224 CarbonylContact O-C 3.51Å; F221-T224 WeakPolarHBondContact O-CA 3.38Å; F221-T224 VanDerWaalsContact O-CB 3.25Å; F221-T224 WeakPolarHBondContact O-CB 3.47Å; F221-T224 PolarHBondContact O-N 2.97Å; F221-L225 HydrophobicContact CD1-CD1 4.41Å; F221-L225 HydrophobicContact CE1-CD1 3.94Å; F221-L225 HydrophobicContact CE1-CD2 4.39Å; F221-L225 HydrophobicContact CE1-CG 4.28Å; F221-L225 HydrophobicContact CE2-CD2 3.86Å; F221-L225 HydrophobicContact CE2-CG 4.23Å; F221-L225 HydrophobicContact CZ-CD1 4.12Å; F221-L225 HydrophobicContact CZ-CD2 3.73Å; F221-L225 HydrophobicContact CZ-CG 4.07Å; F221-L225 WeakPolarHBondContact O-CG 3.01Å; F221-L225 PolarHBondContact O-N 2.99Å; F221-F268 AromaticContact CE1-CE1 3.92Å; F221-F268 HydrophobicContact CE1-CE1 3.92Å; F221-F268 AromaticContact CE1-CZ 3.89Å; F221-F268 HydrophobicContact CE1-CZ 3.89Å; F221-F268 HydrophobicContact CZ-CE1 4.15Å; F221-F268 HydrophobicContact CZ-CZ 4.25Å; F221-T272 HydrophobicContact CD1-CG2 4.03Å; F221-T272 HydrophobicContact CE1-CG2 4.23Å
222	G	98.3	Very high	95.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.5	-41.2	173.7	0	0	0	0	0	113.7	I218 W219 T224 L225 I226 L269 T272	I218-G222 PolarHBondContact O-N 3.5Å; W219-G222 CarbonylContact O-C 3.6Å; W219-G222 WeakPolarHBondContact O-CA 3.26Å; W219-G222 PolarHBondContact O-N 2.95Å; G222-T224 VanDerWaalsContact C-N 3.33Å; G222-L225 WeakPolarHBondContact O-CB 3.44Å; G222-L225 PolarHBondContact O-N 3.3Å; G222-I226 PolarHBondContact O-N 3.33Å; G222-L269 VanDerWaalsContact O-CD1 3.24Å; G222-L269 WeakPolarHBondContact O-CD1 3.45Å; G222-T272 WeakPolarHBondContact CA-OG1 3.18Å
223	I	98.4	Very high	96.3	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-40.8	172.7	-60.2	-60.1	0	0	0	110.9	Y195 W196 W219 S220 F221 L225 I226 E227 P233 P234 P253 L273	Y195-I223 WeakPolarHBondContact O-CG2 3.26Å; W196-I223 HydrophobicContact CB-CB 4.44Å; W196-I223 HydrophobicContact CB-CG2 4.29Å; W196-I223 VanDerWaalsContact CD1-CG2 3.44Å; W196-I223 HydrophobicContact CD2-CG2 4.49Å; W196-I223 HydrophobicContact CG-CB 4.31Å; W196-I223 HydrophobicContact CG-CG2 3.81Å; W219-I223 HydrophobicContact CZ2-CD1 4.47Å; W219-I223 PolarHBondContact O-N 3.47Å; S220-I223 PolarHBondContact O-N 3.28Å; F221-I223 VanDerWaalsContact C-N 3.32Å; F221-I223 PolarHBondContact O-N 3.44Å; I223-L225 VanDerWaalsContact C-N 3.28Å; I223-L225 PolarHBondContact O-N 2.99Å; I223-I226 WeakPolarHBondContact O-CB 3.36Å; I223-I226 PolarHBondContact O-N 2.69Å; I223-I226 VanDerWaalsContact O-N 3.14Å; I223-E227 PolarHBondContact O-N 2.74Å; I223-P233 HydrophobicContact CG2-CB 3.96Å; I223-P234 HydrophobicContact CD1-CG 4.21Å; I223-P253 HydrophobicContact CD1-CG 3.55Å; I223-L273 HydrophobicContact CD1-CD2 3.78Å; I223-L273 HydrophobicContact CG1-CD2 4.12Å
224	T	98.5	Very high	96.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-37	175.2	-54.1	0	0	0	0	111.2	K157 A158 I161 S220 F221 G222 I226 E227 L228	K157-T224 WeakPolarHBondContact CA-OG1 3.49Å; A158-T224 HydrophobicContact CB-CG2 4.33Å; I161-T224 HydrophobicContact CD1-CG2 3.79Å; S220-T224 WeakPolarHBondContact O-CB 3.29Å; S220-T224 PolarHBondContact O-N 2.88Å; S220-T224 PolarHBondContact O-OG1 3.48Å; F221-T224 CarbonylContact O-C 3.51Å; F221-T224 WeakPolarHBondContact O-CA 3.38Å; F221-T224 VanDerWaalsContact O-CB 3.25Å; F221-T224 WeakPolarHBondContact O-CB 3.47Å; F221-T224 PolarHBondContact O-N 2.97Å; G222-T224 VanDerWaalsContact C-N 3.33Å; T224-I226 VanDerWaalsContact C-N 3.34Å; T224-I226 PolarHBondContact O-N 3.24Å; T224-E227 CarbonylContact O-C 3.49Å; T224-E227 WeakPolarHBondContact O-CA 3.38Å; T224-E227 WeakPolarHBondContact O-CB 3.48Å; T224-E227 PolarHBondContact O-N 3.02Å; T224-E227 VanDerWaalsContact O-N 3.15Å; T224-L228 HydrophobicContact CG2-CD1 4.45Å; T224-L228 HydrophobicContact CG2-CG 4.3Å; T224-L228 VanDerWaalsContact O-CG 3.29Å; T224-L228 WeakPolarHBondContact O-CG 3.43Å; T224-L228 PolarHBondContact O-N 3.41Å
225	L	98.7	Very high	96.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-39.7	174.8	-65.4	176.3	0	0	0	112.5	I132 S136 F221 G222 I223 E227 L228 A229 F265 F268 L269 T272	I132-L225 HydrophobicContact CG2-CD2 3.92Å; S136-L225 WeakPolarHBondContact OG-CD2 3.23Å; F221-L225 HydrophobicContact CD1-CD1 4.41Å; F221-L225 HydrophobicContact CE1-CD1 3.94Å; F221-L225 HydrophobicContact CE1-CD2 4.39Å; F221-L225 HydrophobicContact CE1-CG 4.28Å; F221-L225 HydrophobicContact CE2-CD2 3.86Å; F221-L225 HydrophobicContact CE2-CG 4.23Å; F221-L225 HydrophobicContact CZ-CD1 4.12Å; F221-L225 HydrophobicContact CZ-CD2 3.73Å; F221-L225 HydrophobicContact CZ-CG 4.07Å; F221-L225 WeakPolarHBondContact O-CG 3.01Å; F221-L225 PolarHBondContact O-N 2.99Å; G222-L225 WeakPolarHBondContact O-CB 3.44Å; G222-L225 PolarHBondContact O-N 3.3Å; I223-L225 VanDerWaalsContact C-N 3.28Å; I223-L225 PolarHBondContact O-N 2.99Å; L225-E227 VanDerWaalsContact C-N 3.35Å; L225-L228 PolarHBondContact O-N 2.95Å; L225-A229 VanDerWaalsContact O-CB 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.4Å; L225-A229 PolarHBondContact O-N 3.27Å; L225-F265 HydrophobicContact CB-CE2 4.22Å; L225-F265 HydrophobicContact CB-CZ 4.19Å; L225-F265 HydrophobicContact CD1-CE2 4.35Å; L225-F265 HydrophobicContact CD2-CE2 4.35Å; L225-F268 HydrophobicContact CD1-CD1 3.8Å; L225-F268 HydrophobicContact CD1-CE1 3.61Å; L225-L269 HydrophobicContact CB-CD1 3.93Å; L225-L269 HydrophobicContact CD1-CD1 4.15Å; L225-T272 HydrophobicContact CD1-CG2 4.47Å
226	I	98.3	Very high	96	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-65.2	-42.9	173.2	-64	174.4	0	0	0	110.2	G222 I223 T224 L228 A229 Q230 P234 P253 L255 L269 L273	G222-I226 PolarHBondContact O-N 3.33Å; I223-I226 WeakPolarHBondContact O-CB 3.36Å; I223-I226 PolarHBondContact O-N 2.69Å; I223-I226 VanDerWaalsContact O-N 3.14Å; T224-I226 VanDerWaalsContact C-N 3.34Å; T224-I226 PolarHBondContact O-N 3.24Å; I226-L228 PolarHBondContact O-N 3.11Å; I226-A229 CarbonylContact O-C 3.59Å; I226-A229 PolarHBondContact O-N 3.16Å; I226-Q230 HydrophobicContact CG2-CG 4.31Å; I226-Q230 WeakPolarHBondContact O-CB 3.29Å; I226-Q230 PolarHBondContact O-N 3.37Å; I226-P234 HydrophobicContact CB-CG 4.33Å; I226-P234 HydrophobicContact CD1-CG 3.82Å; I226-P234 HydrophobicContact CG2-CG 3.96Å; I226-P253 HydrophobicContact CD1-CB 4.12Å; I226-P253 HydrophobicContact CD1-CG 4.21Å; I226-L255 HydrophobicContact CG1-CD2 4.26Å; I226-L269 HydrophobicContact CD1-CD1 4.44Å; I226-L269 HydrophobicContact CD1-CD2 4.34Å; I226-L269 HydrophobicContact CG1-CD1 3.98Å; I226-L269 HydrophobicContact CG1-CD2 3.86Å; I226-L273 HydrophobicContact CD1-CD1 3.81Å
227	E	98.2	Very high	95.5	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-45.9	175.9	179.1	-173.7	-162.4	0	0	111.9	M120 A158 W196 I223 T224 L225 A229 Q230 K231 R232	M120-E227 HydrophobicContact CE-CG 4.41Å; A158-E227 HydrophobicContact CB-CG 3.99Å; A158-E227 WeakPolarHBondContact CB-OE1 3.21Å; A158-E227 WeakPolarHBondContact CB-OE2 3.27Å; A158-E227 PolarHBondContact N-OE2 3.48Å; W196-E227 WeakPolarHBondContact CZ2-OE1 3.38Å; W196-E227 WeakPolarHBondContact CZ2-OE2 3.42Å; W196-E227 PolarHBondContact NE1-OE2 3.44Å; I223-E227 PolarHBondContact O-N 2.74Å; T224-E227 CarbonylContact O-C 3.49Å; T224-E227 WeakPolarHBondContact O-CA 3.38Å; T224-E227 WeakPolarHBondContact O-CB 3.48Å; T224-E227 PolarHBondContact O-N 3.02Å; T224-E227 VanDerWaalsContact O-N 3.15Å; L225-E227 VanDerWaalsContact C-N 3.35Å; E227-A229 VanDerWaalsContact C-N 3.29Å; E227-A229 PolarHBondContact O-N 2.84Å; E227-Q230 PolarHBondContact O-N 2.94Å; E227-K231 CarbonylContact O-C 3.55Å; E227-K231 VanDerWaalsContact O-C 3.3Å; E227-K231 WeakPolarHBondContact O-CA 3.2Å; E227-K231 PolarHBondContact O-N 2.9Å; E227-R232 WeakPolarHBondContact CA-O 3.5Å; E227-R232 PolarHBondContact O-N 3.39Å
228	L	98.2	Very high	94.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-35.6	176.4	-63.7	178.4	0	0	0	112	L116 M120 P126 L127 I132 V135 A158 T224 L225 I226	L116-L228 HydrophobicContact CB-CD2 4.03Å; L116-L228 HydrophobicContact CD1-CD1 4.46Å; L116-L228 HydrophobicContact CD1-CD2 3.75Å; M120-L228 HydrophobicContact CE-CD2 3.99Å; M120-L228 HydrophobicContact SD-CD2 4.41Å; P126-L228 WeakPolarHBondContact CB-O 3.41Å; L127-L228 HydrophobicContact CD1-CB 4.41Å; L127-L228 HydrophobicContact CD1-CD2 3.86Å; L127-L228 HydrophobicContact CD1-CG 4.47Å; L127-L228 HydrophobicContact CG-CD2 4.44Å; L127-L228 PolarHBondContact N-O 3.23Å; I132-L228 HydrophobicContact CD1-CB 4.04Å; I132-L228 HydrophobicContact CG1-CB 3.96Å; V135-L228 HydrophobicContact CG1-CD1 4.06Å; A158-L228 HydrophobicContact CB-CD2 3.75Å; T224-L228 HydrophobicContact CG2-CD1 4.45Å; T224-L228 HydrophobicContact CG2-CG 4.3Å; T224-L228 VanDerWaalsContact O-CG 3.29Å; T224-L228 WeakPolarHBondContact O-CG 3.43Å; T224-L228 PolarHBondContact O-N 3.41Å; L225-L228 PolarHBondContact O-N 2.95Å; I226-L228 PolarHBondContact O-N 3.11Å
229	A	97.4	Very high	93.8	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-77.3	-23.4	178.7	0	0	0	0	0	114.1	P126 I132 L225 I226 E227 L255 W261 F265	P126-A229 VanDerWaalsContact CB-C 3.44Å; P126-A229 WeakPolarHBondContact CB-O 3.34Å; I132-A229 HydrophobicContact CD1-CB 3.99Å; L225-A229 VanDerWaalsContact O-CB 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.4Å; L225-A229 PolarHBondContact O-N 3.27Å; I226-A229 CarbonylContact O-C 3.59Å; I226-A229 PolarHBondContact O-N 3.16Å; E227-A229 VanDerWaalsContact C-N 3.29Å; E227-A229 PolarHBondContact O-N 2.84Å; A229-L255 HydrophobicContact CB-CD2 3.82Å; A229-W261 HydrophobicContact CB-CH2 3.51Å; A229-W261 HydrophobicContact CB-CZ2 3.37Å; A229-W261 HydrophobicContact CB-CZ3 4.26Å; A229-W261 WeakPolarHBondContact O-CZ2 3.5Å; A229-F265 HydrophobicContact CB-CE1 4.28Å; A229-F265 HydrophobicContact CB-CZ 4.44Å
230	Q	94.8	Very high	93	Very high	58 Å²	58	33.8 Å²	33.8	27%	0.271	19%	0.185	S	C	.	.	H	α-helix	trans	-130.8	8.2	-170.6	-59.4	-179.8	25.4	0	0	114	I226 E227 R232 L255 S256	I226-Q230 HydrophobicContact CG2-CG 4.31Å; I226-Q230 WeakPolarHBondContact O-CB 3.29Å; I226-Q230 PolarHBondContact O-N 3.37Å; E227-Q230 PolarHBondContact O-N 2.94Å; Q230-R232 PolarHBondContact O-N 2.88Å; Q230-L255 VanDerWaalsContact NE2-CA 3.27Å; Q230-S256 PolarHBondContact OE1-OG 3.49Å
231	K	93.6	Very high	92.2	Very high	44 Å²	44	36.5 Å²	36.5	19%	0.191	20%	0.201	C	C	.	.	S	Bend	trans	64.5	-13.9	-171.3	-56.9	-176.5	67.6	-159.8	0	116.7	M120 E121 P126 E227	M120-K231 HydrophobicContact CB-CG 4.35Å; M120-K231 WeakPolarHBondContact O-CE 3.45Å; M120-K231 HydrophobicContact SD-CG 4.5Å; E121-K231 IonicContact OE2-NZ 3.57Å; E121-K231 PolarHBondContact OE2-NZ 2.85Å; P126-K231 HydrophobicContact CB-CG 4.12Å; E227-K231 CarbonylContact O-C 3.55Å; E227-K231 VanDerWaalsContact O-C 3.3Å; E227-K231 WeakPolarHBondContact O-CA 3.2Å; E227-K231 PolarHBondContact O-N 2.9Å
232	R	93.5	Very high	91.5	Very high	129 Å²	129	41.7 Å²	41.7	49%	0.487	22%	0.22	S	C	.	.	S	Bend	trans	-145.1	150.3	-173.7	-65.2	-167.5	178.5	111.4	3.9	110.4	E227 Q230 N236	E227-R232 WeakPolarHBondContact CA-O 3.5Å; E227-R232 PolarHBondContact O-N 3.39Å; Q230-R232 PolarHBondContact O-N 2.88Å; R232-N236 HydrophobicContact CB-CB 4.07Å; R232-N236 VanDerWaalsContact CB-ND2 3.31Å; R232-N236 WeakPolarHBondContact CB-ND2 3.44Å; R232-N236 VanDerWaalsContact CD-CG 3.5Å; R232-N236 WeakPolarHBondContact CD-OD1 3.39Å
233	P	95.2	Very high	91	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.071	22%	0.221	C	C	.	.			trans	-66.1	162.4	174.6	31.7	-38.8	0	0	0	111.2	Y195 W196 I223 N236	Y195-P233 HydrophobicContact CG-CG 4.31Å; W196-P233 HydrophobicContact CD2-CB 4.42Å; W196-P233 HydrophobicContact CH2-CB 4.34Å; W196-P233 HydrophobicContact CH2-CG 3.64Å; W196-P233 HydrophobicContact CZ2-CB 3.88Å; W196-P233 HydrophobicContact CZ2-CG 3.57Å; W196-P233 HydrophobicContact CZ3-CG 4.18Å; I223-P233 HydrophobicContact CG2-CB 3.96Å; P233-N236 HydrophobicContact CG-CB 4.15Å; P233-N236 WeakPolarHBondContact O-CB 3.48Å; P233-N236 PolarHBondContact O-N 2.67Å; P233-N236 PolarHBondContact O-ND2 3.48Å
234	P	93	Very high	90.5	Very high	18 Å²	18	43 Å²	43	12%	0.117	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	142.2	168.9	-22.8	33.8	0	0	0	111.1	I223 I226 N236 P253	I223-P234 HydrophobicContact CD1-CG 4.21Å; I226-P234 HydrophobicContact CB-CG 4.33Å; I226-P234 HydrophobicContact CD1-CG 3.82Å; I226-P234 HydrophobicContact CG2-CG 3.96Å; P234-N236 PolarHBondContact O-N 2.55Å; P234-N236 VanDerWaalsContact O-N 3.11Å; P234-P253 HydrophobicContact CB-CB 3.78Å; P234-P253 HydrophobicContact CB-CG 4.25Å; P234-P253 HydrophobicContact CG-CB 3.65Å; P234-P253 HydrophobicContact CG-CG 3.85Å
235	H	89.5	Confident	89.8	Confident	73 Å²	73	44.9 Å²	44.9	34%	0.338	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	21.9	176.4	-47.1	-53.2	0	0	0	115.7	Y195 A237 T238 V243	Y195-H235 WeakPolarHBondContact CE1-O 3.43Å; H235-A237 PolarHBondContact O-N 3.32Å; H235-T238 WeakPolarHBondContact O-CA 3.26Å; H235-T238 VanDerWaalsContact O-CB 3.26Å; H235-T238 WeakPolarHBondContact O-CB 3.41Å; H235-T238 PolarHBondContact O-N 3.49Å; H235-V243 HydrophobicContact CB-CG2 3.75Å
236	N	85.6	Confident	89.3	Confident	71 Å²	71	48.1 Å²	48.1	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.8	-180	64.5	81.1	0	0	0	115.8	R232 P233 P234	R232-N236 HydrophobicContact CB-CB 4.07Å; R232-N236 VanDerWaalsContact CB-ND2 3.31Å; R232-N236 WeakPolarHBondContact CB-ND2 3.44Å; R232-N236 VanDerWaalsContact CD-CG 3.5Å; R232-N236 WeakPolarHBondContact CD-OD1 3.39Å; P233-N236 HydrophobicContact CG-CB 4.15Å; P233-N236 WeakPolarHBondContact O-CB 3.48Å; P233-N236 PolarHBondContact O-N 2.67Å; P233-N236 PolarHBondContact O-ND2 3.48Å; P234-N236 PolarHBondContact O-N 2.55Å; P234-N236 VanDerWaalsContact O-N 3.11Å
237	A	84.3	Confident	89	Confident	98 Å²	98	48.8 Å²	48.8	81%	0.81	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.6	176.8	0	0	0	0	0	113.6	H235	H235-A237 PolarHBondContact O-N 3.32Å
238	T	80.5	Confident	88.5	Confident	35 Å²	35	51 Å²	51	22%	0.215	27%	0.266	C	S	.	.	S	Bend	trans	-92.8	143.4	-179.4	-56.7	0	0	0	0	109.8	Y195 H235 R242 V243	Y195-T238 WeakPolarHBondContact CE1-O 3.18Å; Y195-T238 PolarHBondContact OH-O 2.9Å; Y195-T238 VanDerWaalsContact OH-O 3.13Å; H235-T238 WeakPolarHBondContact O-CA 3.26Å; H235-T238 VanDerWaalsContact O-CB 3.26Å; H235-T238 WeakPolarHBondContact O-CB 3.41Å; H235-T238 PolarHBondContact O-N 3.49Å; T238-R242 HydrophobicContact CG2-CB 3.62Å; T238-V243 HydrophobicContact CG2-CG2 3.88Å
239	N	80	Confident	88.1	Confident	97 Å²	97	56 Å²	56	52%	0.519	29%	0.288	S	S	.	.			trans	-55.2	136.9	175.5	-179.1	-70.9	0	0	0	111.5	T241 R242 V243	N239-T241 VanDerWaalsContact C-N 3.28Å; N239-T241 PolarHBondContact O-N 2.98Å; N239-T241 VanDerWaalsContact O-N 3.14Å; N239-T241 PolarHBondContact OD1-N 3.44Å; N239-T241 PolarHBondContact OD1-OG1 3.41Å; N239-R242 PolarHBondContact O-N 3.44Å; N239-V243 PolarHBondContact O-N 2.87Å; N239-V243 VanDerWaalsContact O-N 3.12Å
240	P	81.5	Confident	87.7	Confident	47 Å²	47	57.9 Å²	57.9	31%	0.305	30%	0.301	S	S	.	.	H	α-helix	trans	-48.5	-42.3	-178	-30.6	35.1	0	0	0	115	P194 Y195 R242 V243 L244	P194-P240 HydrophobicContact CB-CB 4.04Å; P194-P240 HydrophobicContact CG-CB 4.1Å; Y195-P240 HydrophobicContact CE2-CG 4.37Å; P240-R242 PolarHBondContact O-N 3.37Å; P240-V243 WeakPolarHBondContact O-CB 3.41Å; P240-V243 PolarHBondContact O-N 3.4Å; P240-V243 VanDerWaalsContact O-N 3.09Å; P240-L244 WeakPolarHBondContact O-CG 3.33Å; P240-L244 PolarHBondContact O-N 3.49Å; P240-L244 VanDerWaalsContact O-N 3.07Å
241	T	80.2	Confident	87.5	Confident	64 Å²	64	62 Å²	62	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-40.6	-179.5	-51	0	0	0	0	111.9	N239 V243 L244 L245 I441	N239-T241 VanDerWaalsContact C-N 3.28Å; N239-T241 PolarHBondContact O-N 2.98Å; N239-T241 VanDerWaalsContact O-N 3.14Å; N239-T241 PolarHBondContact OD1-N 3.44Å; N239-T241 PolarHBondContact OD1-OG1 3.41Å; T241-V243 VanDerWaalsContact C-N 3.29Å; T241-V243 PolarHBondContact O-N 3.25Å; T241-L244 PolarHBondContact O-N 3.05Å; T241-L245 PolarHBondContact O-N 3.27Å; T241-I441 HydrophobicContact CG2-CG2 4.32Å
242	R	84.5	Confident	87.5	Confident	111 Å²	111	62 Å²	62	42%	0.419	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-30.7	175.4	-71.5	-172.5	-179	-153.1	-1.6	111.6	T238 N239 P240 L245 K246 D421	T238-R242 HydrophobicContact CG2-CB 3.62Å; N239-R242 PolarHBondContact O-N 3.44Å; P240-R242 PolarHBondContact O-N 3.37Å; R242-L245 PolarHBondContact O-N 3.47Å; R242-K246 WeakPolarHBondContact O-CG 3.01Å; R242-K246 PolarHBondContact O-N 3.34Å; R242-D421 IonicContact NH1-OD1 3.11Å
243	V	86.8	Confident	87.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-42.4	175.1	177	0	0	0	0	111.3	Y195 H235 T238 N239 P240 T241 L245 K246 I247	Y195-V243 HydrophobicContact CD1-CB 4.36Å; Y195-V243 HydrophobicContact CD1-CG1 4.02Å; Y195-V243 HydrophobicContact CD1-CG2 3.85Å; Y195-V243 HydrophobicContact CE1-CG2 3.7Å; H235-V243 HydrophobicContact CB-CG2 3.75Å; T238-V243 HydrophobicContact CG2-CG2 3.88Å; N239-V243 PolarHBondContact O-N 2.87Å; N239-V243 VanDerWaalsContact O-N 3.12Å; P240-V243 WeakPolarHBondContact O-CB 3.41Å; P240-V243 PolarHBondContact O-N 3.4Å; P240-V243 VanDerWaalsContact O-N 3.09Å; T241-V243 VanDerWaalsContact C-N 3.29Å; T241-V243 PolarHBondContact O-N 3.25Å; V243-L245 VanDerWaalsContact C-N 3.31Å; V243-L245 PolarHBondContact O-N 2.93Å; V243-K246 PolarHBondContact O-N 2.73Å; V243-K246 VanDerWaalsContact O-N 3.12Å; V243-I247 HydrophobicContact CG1-CD1 3.85Å; V243-I247 HydrophobicContact CG1-CG1 4.32Å; V243-I247 WeakPolarHBondContact O-CG1 3.33Å; V243-I247 PolarHBondContact O-N 2.92Å
244	L	87.3	Confident	87.5	Confident	30 Å²	30	61.6 Å²	61.6	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-57	-45	175.2	-60.1	176	0	0	0	111.5	F190 P194 M197 I202 P240 T241 K246 I247 L248	F190-L244 HydrophobicContact CZ-CD1 3.83Å; F190-L244 HydrophobicContact CZ-CD2 4.27Å; P194-L244 HydrophobicContact CB-CD2 4.06Å; M197-L244 HydrophobicContact SD-CD2 4.13Å; I202-L244 HydrophobicContact CD1-CB 4.34Å; I202-L244 HydrophobicContact CD1-CD2 3.65Å; I202-L244 HydrophobicContact CG1-CD2 3.95Å; I202-L244 HydrophobicContact CG2-CB 4.44Å; P240-L244 WeakPolarHBondContact O-CG 3.33Å; P240-L244 PolarHBondContact O-N 3.49Å; P240-L244 VanDerWaalsContact O-N 3.07Å; T241-L244 PolarHBondContact O-N 3.05Å; L244-K246 PolarHBondContact O-N 2.96Å; L244-I247 PolarHBondContact O-N 2.95Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 3.35Å
245	L	85	Confident	87.5	Confident	39 Å²	39	61.1 Å²	61.1	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-40.9	176	-68.7	175.9	0	0	0	112.5	T241 R242 V243 L248 K249 V445	T241-L245 PolarHBondContact O-N 3.27Å; R242-L245 PolarHBondContact O-N 3.47Å; V243-L245 VanDerWaalsContact C-N 3.31Å; V243-L245 PolarHBondContact O-N 2.93Å; L245-L248 PolarHBondContact O-N 3.36Å; L245-K249 WeakPolarHBondContact O-CB 3.43Å; L245-K249 PolarHBondContact O-N 2.96Å; L245-V445 HydrophobicContact CD2-CG1 4.44Å
246	K	88.7	Confident	87.6	Confident	67 Å²	67	62.1 Å²	62.1	29%	0.291	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-42.7	176	-75.9	-175.4	175.5	-171.2	0	112.1	R242 V243 L244 L248 K249 S250	R242-K246 WeakPolarHBondContact O-CG 3.01Å; R242-K246 PolarHBondContact O-N 3.34Å; V243-K246 PolarHBondContact O-N 2.73Å; V243-K246 VanDerWaalsContact O-N 3.12Å; L244-K246 PolarHBondContact O-N 2.96Å; K246-L248 PolarHBondContact O-N 2.87Å; K246-K249 PolarHBondContact O-N 3.21Å; K246-S250 WeakPolarHBondContact O-CA 3.33Å; K246-S250 WeakPolarHBondContact O-CB 3.43Å; K246-S250 PolarHBondContact O-N 3.31Å; K246-S250 PolarHBondContact O-OG 2.93Å
247	I	90.6	Very high	87.8	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.082	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-41.1	176.8	-69.2	164.2	0	0	0	110.8	P194 P199 I202 W219 V243 L244 K275	P194-I247 WeakPolarHBondContact O-CD1 3.45Å; P199-I247 HydrophobicContact CB-CG2 4.24Å; P199-I247 HydrophobicContact CG-CG2 3.74Å; I202-I247 HydrophobicContact CD1-CB 3.89Å; I202-I247 HydrophobicContact CD1-CD1 3.99Å; I202-I247 HydrophobicContact CD1-CG2 3.64Å; W219-I247 HydrophobicContact CZ2-CG2 4.01Å; V243-I247 HydrophobicContact CG1-CD1 3.85Å; V243-I247 HydrophobicContact CG1-CG1 4.32Å; V243-I247 WeakPolarHBondContact O-CG1 3.33Å; V243-I247 PolarHBondContact O-N 2.92Å; L244-I247 PolarHBondContact O-N 2.95Å; I247-K275 VanDerWaalsContact O-CE 3.29Å; I247-K275 WeakPolarHBondContact O-CE 3.26Å; I247-K275 PolarHBondContact O-NZ 3.47Å
248	L	89.1	Confident	88.1	Confident	55 Å²	55	63.4 Å²	63.4	29%	0.288	34%	0.339	S	S	.	.	H	α-helix	trans	-73.5	-47.9	178.8	-66.3	179.3	0	0	0	112.9	P199 I202 N203 L244 L245 K246 K275	P199-L248 HydrophobicContact CB-CD2 4.23Å; I202-L248 HydrophobicContact CB-CD2 4.19Å; I202-L248 HydrophobicContact CG2-CD1 3.79Å; I202-L248 HydrophobicContact CG2-CD2 4.21Å; I202-L248 HydrophobicContact CG2-CG 4.09Å; N203-L248 WeakPolarHBondContact OD1-CD2 3.49Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 3.35Å; L245-L248 PolarHBondContact O-N 3.36Å; K246-L248 PolarHBondContact O-N 2.87Å; L248-K275 PolarHBondContact O-NZ 2.86Å
249	K	88.1	Confident	88.6	Confident	107 Å²	107	68.8 Å²	68.8	47%	0.465	36%	0.362	S	S	.	.	H	α-helix	trans	-94	-36.2	-169	-66.5	-173.4	176.5	-178.4	0	114.9	L245 K246	L245-K249 WeakPolarHBondContact O-CB 3.43Å; L245-K249 PolarHBondContact O-N 2.96Å; K246-K249 PolarHBondContact O-N 3.21Å
250	S	89.9	Confident	89	Confident	45 Å²	45	67.1 Å²	67.1	32%	0.315	35%	0.352	S	S	.	.	S	Bend	trans	-87.1	158.5	-175.9	-52.2	0	0	0	0	111.8	K246 K275	K246-S250 WeakPolarHBondContact O-CA 3.33Å; K246-S250 WeakPolarHBondContact O-CB 3.43Å; K246-S250 PolarHBondContact O-N 3.31Å; K246-S250 PolarHBondContact O-OG 2.93Å; S250-K275 WeakPolarHBondContact O-CE 3.43Å; S250-K275 PolarHBondContact O-NZ 3.49Å
251	D	90.4	Very high	89.6	Confident	143 Å²	143	65.7 Å²	65.7	77%	0.765	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-57.7	155.1	173.7	-68.3	-36	0	0	0	112.2
252	P	93.8	Very high	90.4	Very high	44 Å²	44	64.4 Å²	64.4	29%	0.286	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-50.4	137.7	174.4	-25.1	32.6	0	0	0	111.9	W219 L273 K275	W219-P252 HydrophobicContact CH2-CB 4.32Å; W219-P252 HydrophobicContact CZ3-CB 4.47Å; P252-L273 HydrophobicContact CB-CB 4.12Å; P252-L273 VanDerWaalsContact CB-O 3.27Å; P252-L273 WeakPolarHBondContact CB-O 3.44Å; P252-L273 VanDerWaalsContact CG-O 3.29Å; P252-L273 WeakPolarHBondContact CG-O 3.48Å; P252-K275 HydrophobicContact CG-CG 4.07Å
253	P	94.2	Very high	91	Very high	27 Å²	27	63.1 Å²	63.1	18%	0.175	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64	147.6	-179.3	26.5	-33	0	0	0	110.9	I223 I226 P234 L273	I223-P253 HydrophobicContact CD1-CG 3.55Å; I226-P253 HydrophobicContact CD1-CB 4.12Å; I226-P253 HydrophobicContact CD1-CG 4.21Å; P234-P253 HydrophobicContact CB-CB 3.78Å; P234-P253 HydrophobicContact CB-CG 4.25Å; P234-P253 HydrophobicContact CG-CB 3.65Å; P234-P253 HydrophobicContact CG-CG 3.85Å; P253-L273 HydrophobicContact CG-CD1 4.22Å; P253-L273 WeakPolarHBondContact O-CD1 3.47Å
254	T	94.5	Very high	91.4	Very high	106 Å²	106	67.6 Å²	67.6	65%	0.65	36%	0.362	S	S	*	.			trans	-124.1	177.6	175.5	64.4	0	0	0	0	110.3
255	L	93.5	Very high	92	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.037	35%	0.354	C	S	.	.			trans	-68.2	138	177.4	-65	164.7	0	0	0	110.5	I226 A229 Q230 R257 P258 W261 F265 K266 L269	I226-L255 HydrophobicContact CG1-CD2 4.26Å; A229-L255 HydrophobicContact CB-CD2 3.82Å; Q230-L255 VanDerWaalsContact NE2-CA 3.27Å; L255-R257 PolarHBondContact O-N 3.39Å; L255-P258 HydrophobicContact CB-CG 4.49Å; L255-P258 VanDerWaalsContact O-CD 3.23Å; L255-P258 WeakPolarHBondContact O-CD 3.44Å; L255-P258 WeakPolarHBondContact O-CG 3.48Å; L255-W261 HydrophobicContact CD1-CB 4.01Å; L255-W261 HydrophobicContact CD1-CD2 4.26Å; L255-W261 HydrophobicContact CD1-CG 3.67Å; L255-F265 HydrophobicContact CD1-CD1 3.99Å; L255-F265 HydrophobicContact CD1-CE1 3.77Å; L255-F265 HydrophobicContact CD2-CE1 4.28Å; L255-K266 HydrophobicContact CD1-CG 4.3Å; L255-L269 HydrophobicContact CD1-CD2 4.09Å; L255-L269 HydrophobicContact CD2-CD2 4.11Å; L255-L269 HydrophobicContact CG-CD2 3.72Å
256	S	90.5	Very high	92.5	Very high	94 Å²	94	68 Å²	68	66%	0.657	36%	0.36	S	S	*	.	S	Bend	trans	-64.1	-26.5	179.8	-58.6	0	0	0	0	112.6	Q230	Q230-S256 PolarHBondContact OE1-OG 3.49Å
257	R	90.4	Very high	93	Very high	141 Å²	141	69 Å²	69	53%	0.532	37%	0.372	S	S	.	.	S	Bend	trans	-134.2	76	177.1	-62.3	-178.1	-168.1	142.6	1.1	110.5	L255 H259 L260	L255-R257 PolarHBondContact O-N 3.39Å; R257-H259 PolarHBondContact O-N 2.93Å; R257-L260 HydrophobicContact CB-CD1 3.71Å; R257-L260 HydrophobicContact CB-CG 4.11Å; R257-L260 HydrophobicContact CG-CD1 4.39Å; R257-L260 PolarHBondContact O-N 3.27Å
258	P	90.3	Very high	93.3	Very high	55 Å²	55	68.2 Å²	68.2	36%	0.357	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-64.1	-21.3	-173	-22.2	33.1	0	0	0	115.1	L255 L260 W261 K266	L255-P258 HydrophobicContact CB-CG 4.49Å; L255-P258 VanDerWaalsContact O-CD 3.23Å; L255-P258 WeakPolarHBondContact O-CD 3.44Å; L255-P258 WeakPolarHBondContact O-CG 3.48Å; P258-L260 PolarHBondContact O-N 2.86Å; P258-W261 PolarHBondContact O-N 3.41Å; P258-K266 HydrophobicContact CB-CD 3.97Å; P258-K266 WeakPolarHBondContact O-CD 3.38Å; P258-K266 PolarHBondContact O-NZ 3Å
259	H	90.1	Very high	93.7	Very high	149 Å²	149	65.9 Å²	65.9	69%	0.69	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-69.7	-20.6	-179.7	61.4	-91.4	0	0	0	113	R257 W261	R257-H259 PolarHBondContact O-N 2.93Å; H259-W261 PolarHBondContact O-N 2.91Å
260	L	89.2	Confident	94.2	Very high	62 Å²	62	62.4 Å²	62.4	33%	0.325	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-80.2	-1.8	-179.8	-60.4	177.5	0	0	0	114.2	R257 P258 N336 L338	R257-L260 HydrophobicContact CB-CD1 3.71Å; R257-L260 HydrophobicContact CB-CG 4.11Å; R257-L260 HydrophobicContact CG-CD1 4.39Å; R257-L260 PolarHBondContact O-N 3.27Å; P258-L260 PolarHBondContact O-N 2.86Å; L260-N336 VanDerWaalsContact CD1-ND2 3.33Å; L260-N336 WeakPolarHBondContact CD1-ND2 3.37Å; L260-L338 HydrophobicContact CB-CD1 4.46Å; L260-L338 HydrophobicContact CD1-CD1 3.89Å
261	W	95.3	Very high	94.5	Very high	17 Å²	17	64.2 Å²	64.2	6%	0.064	35%	0.35	C	S	.	.	S	Bend	trans	-128.2	145.6	-169.8	-62.3	90.6	0	0	0	111.4	E129 I132 A229 L255 P258 H259 F265 K266	E129-W261 HydrophobicContact CB-CE3 4.15Å; E129-W261 HydrophobicContact CB-CZ3 3.97Å; E129-W261 HydrophobicContact CG-CE3 4.26Å; E129-W261 HydrophobicContact CG-CZ3 4.4Å; I132-W261 HydrophobicContact CD1-CH2 3.71Å; I132-W261 HydrophobicContact CD1-CZ3 3.68Å; A229-W261 HydrophobicContact CB-CH2 3.51Å; A229-W261 HydrophobicContact CB-CZ2 3.37Å; A229-W261 HydrophobicContact CB-CZ3 4.26Å; A229-W261 WeakPolarHBondContact O-CZ2 3.5Å; L255-W261 HydrophobicContact CD1-CB 4.01Å; L255-W261 HydrophobicContact CD1-CD2 4.26Å; L255-W261 HydrophobicContact CD1-CG 3.67Å; P258-W261 PolarHBondContact O-N 3.41Å; H259-W261 PolarHBondContact O-N 2.91Å; W261-F265 HydrophobicContact CB-CD1 3.97Å; W261-F265 AromaticContact CD2-CD1 3.82Å; W261-F265 HydrophobicContact CD2-CD1 3.82Å; W261-F265 AromaticContact CD2-CE1 3.85Å; W261-F265 HydrophobicContact CD2-CE1 3.85Å; W261-F265 AromaticContact CE3-CD1 3.43Å; W261-F265 HydrophobicContact CE3-CD1 3.43Å; W261-F265 VanDerWaalsContact CE3-CD1 3.43Å; W261-F265 AromaticContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CG 4.42Å; W261-F265 HydrophobicContact CG-CD1 4.06Å; W261-F265 HydrophobicContact CG-CE1 4.36Å; W261-F265 HydrophobicContact CZ3-CD1 4.25Å; W261-F265 HydrophobicContact CZ3-CE1 4Å; W261-K266 HydrophobicContact CB-CG 4.43Å; W261-K266 VanDerWaalsContact O-CE 3.23Å; W261-K266 WeakPolarHBondContact O-CE 3.48Å; W261-K266 PolarHBondContact O-NZ 3.39Å; W261-K266 VanDerWaalsContact O-NZ 3.15Å
262	S	96.5	Very high	94.9	Very high	36 Å²	36	57.4 Å²	57.4	25%	0.252	31%	0.314	S	S	.	.			trans	-60.3	153.7	-178.4	77	0	0	0	0	112.4	E129 K264 F265 K266	E129-S262 VanDerWaalsContact CD-OG 3.25Å; E129-S262 WeakPolarHBondContact OE1-CB 3.4Å; E129-S262 PolarHBondContact OE1-OG 3.13Å; E129-S262 WeakPolarHBondContact OE2-CB 3.48Å; E129-S262 PolarHBondContact OE2-N 2.94Å; E129-S262 PolarHBondContact OE2-OG 2.99Å; S262-K264 PolarHBondContact O-N 2.91Å; S262-F265 PolarHBondContact O-N 3.38Å; S262-F265 PolarHBondContact OG-N 3.48Å; S262-K266 WeakPolarHBondContact O-CE 3.38Å; S262-K266 PolarHBondContact O-N 3.21Å; S262-K266 VanDerWaalsContact O-N 3.1Å
263	S	95.7	Very high	95.1	Very high	84 Å²	84	55.5 Å²	55.5	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-59	-37.8	172.5	54.9	0	0	0	0	111.5	K266 T267	S263-K266 PolarHBondContact O-N 3.21Å; S263-T267 WeakPolarHBondContact O-CB 3.39Å; S263-T267 PolarHBondContact O-N 2.95Å; S263-T267 PolarHBondContact O-OG1 3.42Å
264	K	97.1	Very high	95.2	Very high	95 Å²	95	57.8 Å²	57.8	41%	0.413	31%	0.31	S	S	.	.	H	α-helix	trans	-56.8	-51.6	175	-67.4	-176.6	171.2	-165.4	0	111.6	S262 K266 T267 F268 P290 F291	S262-K264 PolarHBondContact O-N 2.91Å; K264-K266 PolarHBondContact O-N 3.27Å; K264-T267 PolarHBondContact O-N 3.5Å; K264-F268 WeakPolarHBondContact O-CB 3.49Å; K264-F268 PolarHBondContact O-N 2.69Å; K264-P290 PolarHBondContact NZ-O 2.9Å; K264-F291 HydrophobicContact CB-CB 4.35Å; K264-F291 HydrophobicContact CB-CD2 4.19Å
265	F	98	Very high	95.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-43	-179.8	-179.1	-127.1	0	0	0	112.5	E129 I132 L225 A229 L255 W261 S262 T267 F268 L269 F291	E129-F265 HydrophobicContact CG-CB 4.42Å; I132-F265 HydrophobicContact CD1-CZ 4.44Å; I132-F265 HydrophobicContact CG2-CD2 4.48Å; I132-F265 HydrophobicContact CG2-CE2 3.71Å; I132-F265 HydrophobicContact CG2-CZ 4.04Å; L225-F265 HydrophobicContact CB-CE2 4.22Å; L225-F265 HydrophobicContact CB-CZ 4.19Å; L225-F265 HydrophobicContact CD1-CE2 4.35Å; L225-F265 HydrophobicContact CD2-CE2 4.35Å; A229-F265 HydrophobicContact CB-CE1 4.28Å; A229-F265 HydrophobicContact CB-CZ 4.44Å; L255-F265 HydrophobicContact CD1-CD1 3.99Å; L255-F265 HydrophobicContact CD1-CE1 3.77Å; L255-F265 HydrophobicContact CD2-CE1 4.28Å; W261-F265 HydrophobicContact CB-CD1 3.97Å; W261-F265 AromaticContact CD2-CD1 3.82Å; W261-F265 HydrophobicContact CD2-CD1 3.82Å; W261-F265 AromaticContact CD2-CE1 3.85Å; W261-F265 HydrophobicContact CD2-CE1 3.85Å; W261-F265 AromaticContact CE3-CD1 3.43Å; W261-F265 HydrophobicContact CE3-CD1 3.43Å; W261-F265 VanDerWaalsContact CE3-CD1 3.43Å; W261-F265 AromaticContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CE1 3.54Å; W261-F265 HydrophobicContact CE3-CG 4.42Å; W261-F265 HydrophobicContact CG-CD1 4.06Å; W261-F265 HydrophobicContact CG-CE1 4.36Å; W261-F265 HydrophobicContact CZ3-CD1 4.25Å; W261-F265 HydrophobicContact CZ3-CE1 4Å; S262-F265 PolarHBondContact O-N 3.38Å; S262-F265 PolarHBondContact OG-N 3.48Å; F265-T267 PolarHBondContact O-N 3.02Å; F265-F268 PolarHBondContact O-N 2.93Å; F265-L269 WeakPolarHBondContact O-CB 3.4Å; F265-L269 PolarHBondContact O-N 2.72Å; F265-F291 HydrophobicContact CB-CD2 3.94Å; F265-F291 HydrophobicContact CB-CE2 3.61Å; F265-F291 HydrophobicContact CB-CZ 4.11Å; F265-F291 HydrophobicContact CD2-CD1 4.23Å; F265-F291 HydrophobicContact CD2-CD2 4.42Å; F265-F291 AromaticContact CD2-CE1 3.61Å; F265-F291 HydrophobicContact CD2-CE1 3.61Å; F265-F291 AromaticContact CD2-CE2 3.82Å; F265-F291 HydrophobicContact CD2-CE2 3.82Å; F265-F291 AromaticContact CD2-CZ 3.37Å; F265-F291 HydrophobicContact CD2-CZ 3.37Å; F265-F291 HydrophobicContact CE2-CE1 4.17Å; F265-F291 HydrophobicContact CE2-CZ 4.12Å; F265-F291 HydrophobicContact CG-CE2 4.06Å; F265-F291 HydrophobicContact CG-CZ 4.03Å
266	K	97.5	Very high	95.1	Very high	77 Å²	77	58.7 Å²	58.7	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-44.5	177.4	-75.3	-179.2	-72.3	-153.8	0	112.6	L255 P258 W261 S262 S263 K264 G270	L255-K266 HydrophobicContact CD1-CG 4.3Å; P258-K266 HydrophobicContact CB-CD 3.97Å; P258-K266 WeakPolarHBondContact O-CD 3.38Å; P258-K266 PolarHBondContact O-NZ 3Å; W261-K266 HydrophobicContact CB-CG 4.43Å; W261-K266 VanDerWaalsContact O-CE 3.23Å; W261-K266 WeakPolarHBondContact O-CE 3.48Å; W261-K266 PolarHBondContact O-NZ 3.39Å; W261-K266 VanDerWaalsContact O-NZ 3.15Å; S262-K266 WeakPolarHBondContact O-CE 3.38Å; S262-K266 PolarHBondContact O-N 3.21Å; S262-K266 VanDerWaalsContact O-N 3.1Å; S263-K266 PolarHBondContact O-N 3.21Å; K264-K266 PolarHBondContact O-N 3.27Å; K266-G270 PolarHBondContact O-N 3.42Å
267	T	97.2	Very high	95.2	Very high	88 Å²	88	55.7 Å²	55.7	54%	0.54	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-46.6	176.8	-61.5	0	0	0	0	110.8	S263 K264 F265 L269 G270 R271	S263-T267 WeakPolarHBondContact O-CB 3.39Å; S263-T267 PolarHBondContact O-N 2.95Å; S263-T267 PolarHBondContact O-OG1 3.42Å; K264-T267 PolarHBondContact O-N 3.5Å; F265-T267 PolarHBondContact O-N 3.02Å; T267-L269 PolarHBondContact O-N 2.66Å; T267-G270 PolarHBondContact O-N 3.04Å; T267-R271 WeakPolarHBondContact O-CG 3.3Å; T267-R271 PolarHBondContact O-N 3.4Å
268	F	98.2	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-49	176.3	-179.8	-106.5	0	0	0	112.2	L140 F221 L225 K264 F265 G270 R271 T272 L286 D289 F291 V292	L140-F268 HydrophobicContact CD1-CE2 4.2Å; L140-F268 HydrophobicContact CD1-CZ 3.79Å; F221-F268 AromaticContact CE1-CE1 3.92Å; F221-F268 HydrophobicContact CE1-CE1 3.92Å; F221-F268 AromaticContact CE1-CZ 3.89Å; F221-F268 HydrophobicContact CE1-CZ 3.89Å; F221-F268 HydrophobicContact CZ-CE1 4.15Å; F221-F268 HydrophobicContact CZ-CZ 4.25Å; L225-F268 HydrophobicContact CD1-CD1 3.8Å; L225-F268 HydrophobicContact CD1-CE1 3.61Å; K264-F268 WeakPolarHBondContact O-CB 3.49Å; K264-F268 PolarHBondContact O-N 2.69Å; F265-F268 PolarHBondContact O-N 2.93Å; F268-G270 PolarHBondContact O-N 3.43Å; F268-R271 WeakPolarHBondContact O-CB 3.38Å; F268-R271 PolarHBondContact O-N 3.24Å; F268-T272 PolarHBondContact O-N 2.86Å; F268-L286 HydrophobicContact CD2-CD2 4.1Å; F268-L286 HydrophobicContact CE2-CB 4.12Å; F268-L286 HydrophobicContact CE2-CD2 3.79Å; F268-D289 HydrophobicContact CD2-CB 3.69Å; F268-D289 VanDerWaalsContact CD2-CG 3.48Å; F268-D289 HydrophobicContact CE2-CB 3.99Å; F268-F291 HydrophobicContact CB-CB 3.83Å; F268-F291 HydrophobicContact CB-CD1 4.14Å; F268-F291 HydrophobicContact CB-CG 4.13Å; F268-F291 AromaticContact CD1-CD1 3.43Å; F268-F291 HydrophobicContact CD1-CD1 3.43Å; F268-F291 VanDerWaalsContact CD1-CD1 3.43Å; F268-F291 AromaticContact CD1-CE1 3.99Å; F268-F291 HydrophobicContact CD1-CE1 3.99Å; F268-F291 HydrophobicContact CD1-CG 4.26Å; F268-F291 HydrophobicContact CD2-CB 4.21Å; F268-F291 HydrophobicContact CD2-CD1 4.34Å; F268-F291 AromaticContact CE1-CD1 3.76Å; F268-F291 HydrophobicContact CE1-CD1 3.76Å; F268-F291 HydrophobicContact CE1-CE1 4.17Å; F268-F291 HydrophobicContact CG-CB 3.97Å; F268-F291 AromaticContact CG-CD1 3.73Å; F268-F291 HydrophobicContact CG-CD1 3.73Å; F268-F291 HydrophobicContact CG-CG 4.16Å; F268-F291 HydrophobicContact CZ-CD1 4.32Å; F268-V292 HydrophobicContact CE2-CG1 4.38Å; F268-V292 HydrophobicContact CE2-CG2 4.3Å; F268-V292 HydrophobicContact CZ-CG1 4.11Å
269	L	98.2	Very high	95.5	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-48.2	175.7	176.6	62.4	0	0	0	111.6	G222 L225 I226 L255 F265 T267 R271 T272 L273	G222-L269 VanDerWaalsContact O-CD1 3.24Å; G222-L269 WeakPolarHBondContact O-CD1 3.45Å; L225-L269 HydrophobicContact CB-CD1 3.93Å; L225-L269 HydrophobicContact CD1-CD1 4.15Å; I226-L269 HydrophobicContact CD1-CD1 4.44Å; I226-L269 HydrophobicContact CD1-CD2 4.34Å; I226-L269 HydrophobicContact CG1-CD1 3.98Å; I226-L269 HydrophobicContact CG1-CD2 3.86Å; L255-L269 HydrophobicContact CD1-CD2 4.09Å; L255-L269 HydrophobicContact CD2-CD2 4.11Å; L255-L269 HydrophobicContact CG-CD2 3.72Å; F265-L269 WeakPolarHBondContact O-CB 3.4Å; F265-L269 PolarHBondContact O-N 2.72Å; T267-L269 PolarHBondContact O-N 2.66Å; L269-R271 VanDerWaalsContact C-N 3.26Å; L269-R271 PolarHBondContact O-N 3.36Å; L269-T272 PolarHBondContact O-N 2.92Å; L269-T272 PolarHBondContact O-OG1 3.23Å; L269-L273 HydrophobicContact CD1-CD1 3.71Å; L269-L273 HydrophobicContact CD1-CG 4.17Å; L269-L273 HydrophobicContact CG-CD1 4.1Å; L269-L273 PolarHBondContact O-N 3.36Å; L269-L273 VanDerWaalsContact O-N 3.13Å
270	G	97.3	Very high	95.9	Very high	33 Å²	33	51.7 Å²	51.7	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-34.8	178.3	0	0	0	0	0	113.3	K266 T267 F268 L273 Q274	K266-G270 PolarHBondContact O-N 3.42Å; T267-G270 PolarHBondContact O-N 3.04Å; F268-G270 PolarHBondContact O-N 3.43Å; G270-L273 PolarHBondContact O-N 2.99Å; G270-Q274 PolarHBondContact O-NE2 3.35Å
271	R	97.6	Very high	96.2	Very high	83 Å²	83	49.4 Å²	49.4	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-34.8	174.6	-69.4	178.8	71.9	-165.1	-0.6	112.5	T267 F268 L269 Q274 P281 L286 D289	T267-R271 WeakPolarHBondContact O-CG 3.3Å; T267-R271 PolarHBondContact O-N 3.4Å; F268-R271 WeakPolarHBondContact O-CB 3.38Å; F268-R271 PolarHBondContact O-N 3.24Å; L269-R271 VanDerWaalsContact C-N 3.26Å; L269-R271 PolarHBondContact O-N 3.36Å; R271-Q274 WeakPolarHBondContact O-CG 3.28Å; R271-P281 HydrophobicContact CB-CG 4.23Å; R271-P281 WeakPolarHBondContact O-CD 3.31Å; R271-L286 HydrophobicContact CB-CD2 4.48Å; R271-D289 IonicContact CZ-OD2 3.74Å; R271-D289 IonicContact NH1-OD2 2.69Å; R271-D289 PolarHBondContact NH1-OD2 3.16Å
272	T	97.9	Very high	96.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-74	-33.4	177.6	65.3	0	0	0	0	113	I218 F221 G222 L225 F268 L269 Q274 R280 L286	I218-T272 HydrophobicContact CG2-CG2 4.26Å; F221-T272 HydrophobicContact CD1-CG2 4.03Å; F221-T272 HydrophobicContact CE1-CG2 4.23Å; G222-T272 WeakPolarHBondContact CA-OG1 3.18Å; L225-T272 HydrophobicContact CD1-CG2 4.47Å; F268-T272 PolarHBondContact O-N 2.86Å; L269-T272 PolarHBondContact O-N 2.92Å; L269-T272 PolarHBondContact O-OG1 3.23Å; T272-Q274 VanDerWaalsContact C-N 3.33Å; T272-Q274 PolarHBondContact O-N 3.42Å; T272-R280 VanDerWaalsContact O-CD 3.26Å; T272-R280 WeakPolarHBondContact O-CD 3.43Å; T272-R280 WeakPolarHBondContact O-CG 3.49Å; T272-R280 PolarHBondContact O-NE 3.32Å; T272-L286 HydrophobicContact CG2-CD1 4.07Å; T272-L286 HydrophobicContact CG2-CD2 4.09Å
273	L	97.8	Very high	96.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	26%	0.264	C	S	.	.			trans	-93.9	46.3	-175.7	-64.8	179.9	0	0	0	113.3	W219 I223 I226 P252 P253 L269 G270	W219-L273 HydrophobicContact CD2-CD2 4.01Å; W219-L273 HydrophobicContact CE3-CD2 4.09Å; W219-L273 HydrophobicContact CG-CD2 4.45Å; W219-L273 HydrophobicContact CZ3-CB 4.44Å; W219-L273 HydrophobicContact CZ3-CD2 4.41Å; I223-L273 HydrophobicContact CD1-CD2 3.78Å; I223-L273 HydrophobicContact CG1-CD2 4.12Å; I226-L273 HydrophobicContact CD1-CD1 3.81Å; P252-L273 HydrophobicContact CB-CB 4.12Å; P252-L273 VanDerWaalsContact CB-O 3.27Å; P252-L273 WeakPolarHBondContact CB-O 3.44Å; P252-L273 VanDerWaalsContact CG-O 3.29Å; P252-L273 WeakPolarHBondContact CG-O 3.48Å; P253-L273 HydrophobicContact CG-CD1 4.22Å; P253-L273 WeakPolarHBondContact O-CD1 3.47Å; L269-L273 HydrophobicContact CD1-CD1 3.71Å; L269-L273 HydrophobicContact CD1-CG 4.17Å; L269-L273 HydrophobicContact CG-CD1 4.1Å; L269-L273 PolarHBondContact O-N 3.36Å; L269-L273 VanDerWaalsContact O-N 3.13Å; G270-L273 PolarHBondContact O-N 2.99Å
274	Q	97.2	Very high	96.2	Very high	76 Å²	76	53.9 Å²	53.9	36%	0.355	26%	0.264	S	S	.	.			trans	-86.3	124.2	171.4	-64.7	-60.6	-46.3	0	0	110.2	G270 R271 T272 Q279 R280	G270-Q274 PolarHBondContact O-NE2 3.35Å; R271-Q274 WeakPolarHBondContact O-CG 3.28Å; T272-Q274 VanDerWaalsContact C-N 3.33Å; T272-Q274 PolarHBondContact O-N 3.42Å; Q274-Q279 HydrophobicContact CB-CB 4.22Å; Q274-Q279 HydrophobicContact CG-CB 4.39Å; Q274-R280 HydrophobicContact CB-CB 4.18Å; Q274-R280 HydrophobicContact CB-CG 4.42Å; Q274-R280 VanDerWaalsContact O-CZ 3.29Å; Q274-R280 PolarHBondContact O-NE 3.26Å; Q274-R280 PolarHBondContact O-NH2 2.95Å
275	K	93.7	Very high	96.3	Very high	64 Å²	64	52.3 Å²	52.3	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	-63.2	-44	178.8	-80.4	-165.3	173.1	-175.2	0	112.6	P199 W219 I247 L248 S250 P252 P277	P199-K275 HydrophobicContact CG-CG 4.22Å; W219-K275 HydrophobicContact CH2-CG 4.36Å; W219-K275 HydrophobicContact CZ3-CG 4.22Å; I247-K275 VanDerWaalsContact O-CE 3.29Å; I247-K275 WeakPolarHBondContact O-CE 3.26Å; I247-K275 PolarHBondContact O-NZ 3.47Å; L248-K275 PolarHBondContact O-NZ 2.86Å; S250-K275 WeakPolarHBondContact O-CE 3.43Å; S250-K275 PolarHBondContact O-NZ 3.49Å; P252-K275 HydrophobicContact CG-CG 4.07Å; K275-P277 VanDerWaalsContact O-CD 3.28Å; K275-P277 WeakPolarHBondContact O-CD 3.35Å
276	D	91.6	Very high	96.3	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	26%	0.26	S	S	.	.	S	Bend	trans	-73.8	114.7	172.6	178.6	4.9	0	0	0	108.8	N278 Q279 R280	D276-N278 PolarHBondContact O-N 3.35Å; D276-N278 VanDerWaalsContact O-N 3.13Å; D276-N278 WeakPolarHBondContact OD1-CB 3.49Å; D276-N278 PolarHBondContact OD1-N 3.26Å; D276-N278 PolarHBondContact OD1-ND2 3.4Å; D276-Q279 HydrophobicContact CB-CB 4.34Å; D276-Q279 HydrophobicContact CB-CG 3.93Å; D276-Q279 PolarHBondContact O-N 3.04Å; D276-R280 PolarHBondContact O-N 3.07Å
277	P	92.6	Very high	96.3	Very high	32 Å²	32	50.1 Å²	50.1	21%	0.208	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.8	179.6	26.1	-35.2	0	0	0	113.1	E200 K215 K275 R280	E200-P277 HydrophobicContact CB-CG 4.43Å; E200-P277 HydrophobicContact CG-CG 4.42Å; K215-P277 HydrophobicContact CB-CB 4.19Å; K275-P277 VanDerWaalsContact O-CD 3.28Å; K275-P277 WeakPolarHBondContact O-CD 3.35Å; P277-R280 WeakPolarHBondContact O-CB 3.34Å; P277-R280 PolarHBondContact O-N 3.04Å
278	N	92.2	Very high	96.3	Very high	126 Å²	126	52.1 Å²	52.1	67%	0.674	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-27.1	176.1	-55.3	-60.1	0	0	0	112.7	D276 R280	D276-N278 PolarHBondContact O-N 3.35Å; D276-N278 VanDerWaalsContact O-N 3.13Å; D276-N278 WeakPolarHBondContact OD1-CB 3.49Å; D276-N278 PolarHBondContact OD1-N 3.26Å; D276-N278 PolarHBondContact OD1-ND2 3.4Å; N278-R280 VanDerWaalsContact C-N 3.3Å
279	Q	95.6	Very high	96.3	Very high	132 Å²	132	52.4 Å²	52.4	62%	0.617	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.9	173.4	-59.1	-57	-37.6	0	0	112.2	Q274 D276	Q274-Q279 HydrophobicContact CB-CB 4.22Å; Q274-Q279 HydrophobicContact CG-CB 4.39Å; D276-Q279 HydrophobicContact CB-CB 4.34Å; D276-Q279 HydrophobicContact CB-CG 3.93Å; D276-Q279 PolarHBondContact O-N 3.04Å
280	R	96.9	Very high	96.3	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	28%	0.281	C	S	.	.	S	Bend	trans	-78.4	128	179.2	-155.1	178.4	-60.1	146.4	4.1	109.6	E200 K215 I218 W219 T272 Q274 D276 P277 N278	E200-R280 IonicContact OE1-CZ 2.85Å; E200-R280 IonicContact OE1-NH1 3.01Å; E200-R280 PolarHBondContact OE1-NH1 3.39Å; E200-R280 IonicContact OE1-NH2 3.01Å; E200-R280 PolarHBondContact OE1-NH2 2.87Å; E200-R280 IonicContact OE2-CZ 2.65Å; E200-R280 IonicContact OE2-NH1 3.24Å; E200-R280 IonicContact OE2-NH2 3.73Å; E200-R280 PolarHBondContact OE2-NH2 2.97Å; E200-R280 VanDerWaalsContact OE2-NH2 3.11Å; K215-R280 VanDerWaalsContact C-NH1 3.34Å; K215-R280 HydrophobicContact CD-CB 4.45Å; K215-R280 WeakPolarHBondContact CE-O 3.34Å; K215-R280 PolarHBondContact NZ-O 2.93Å; K215-R280 PolarHBondContact O-NH1 2.91Å; I218-R280 HydrophobicContact CB-CG 4.08Å; I218-R280 HydrophobicContact CG2-CG 3.68Å; W219-R280 VanDerWaalsContact CB-CZ 3.49Å; T272-R280 VanDerWaalsContact O-CD 3.26Å; T272-R280 WeakPolarHBondContact O-CD 3.43Å; T272-R280 WeakPolarHBondContact O-CG 3.49Å; T272-R280 PolarHBondContact O-NE 3.32Å; Q274-R280 HydrophobicContact CB-CB 4.18Å; Q274-R280 HydrophobicContact CB-CG 4.42Å; Q274-R280 VanDerWaalsContact O-CZ 3.29Å; Q274-R280 PolarHBondContact O-NE 3.26Å; Q274-R280 PolarHBondContact O-NH2 2.95Å; D276-R280 PolarHBondContact O-N 3.07Å; P277-R280 WeakPolarHBondContact O-CB 3.34Å; P277-R280 PolarHBondContact O-N 3.04Å; N278-R280 VanDerWaalsContact C-N 3.3Å
281	P	96.3	Very high	96.3	Very high	15 Å²	15	54 Å²	54	10%	0.097	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66.7	161.9	-179.7	28.3	-35.2	0	0	0	112.6	K215 R271 D285 L286	K215-P281 WeakPolarHBondContact CD-O 3.43Å; K215-P281 WeakPolarHBondContact CE-O 3.45Å; R271-P281 HydrophobicContact CB-CG 4.23Å; R271-P281 WeakPolarHBondContact O-CD 3.31Å; P281-D285 HydrophobicContact CB-CB 3.95Å; P281-L286 HydrophobicContact CB-CD2 4.3Å; P281-L286 HydrophobicContact CB-CG 4.11Å; P281-L286 HydrophobicContact CG-CD1 4.13Å; P281-L286 HydrophobicContact CG-CD2 3.51Å; P281-L286 HydrophobicContact CG-CG 3.68Å
282	E	95.3	Very high	96.3	Very high	74 Å²	74	50.1 Å²	50.1	35%	0.346	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-82	163.3	168.6	-72.8	176.7	-170.3	0	0	111.5	K215 R284 D285 L286	K215-E282 HydrophobicContact CD-CG 4.49Å; E282-R284 PolarHBondContact O-N 3.12Å; E282-D285 PolarHBondContact N-OD2 3.36Å; E282-D285 VanDerWaalsContact N-OD2 3.08Å; E282-D285 PolarHBondContact O-N 3.35Å; E282-L286 PolarHBondContact O-N 3.12Å
283	C	97.4	Very high	96.2	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-53.7	-41.5	176.1	-70.4	0	0	0	0	112	L140 L143 E144 I218 D285 L286 L287	L140-C283 HydrophobicContact CD2-CB 4.41Å; L143-C283 VanDerWaalsContact CB-SG 3.51Å; E144-C283 HydrophobicContact CB-CB 3.66Å; E144-C283 HydrophobicContact CG-CB 4.29Å; I218-C283 WeakPolarHBondContact CD1-SG 3.31Å; C283-D285 VanDerWaalsContact C-N 3.3Å; C283-D285 PolarHBondContact O-N 3.04Å; C283-L286 CarbonylContact O-C 3.58Å; C283-L286 PolarHBondContact O-N 3Å; C283-L286 VanDerWaalsContact O-N 3.14Å; C283-L287 WeakPolarHBondContact O-CG 3.42Å; C283-L287 PolarHBondContact O-N 2.79Å
284	R	95.7	Very high	96.1	Very high	153 Å²	153	57.1 Å²	57.1	58%	0.577	29%	0.292	S	S	*	.	H	α-helix	trans	-57.2	-41	176.5	-171.8	179.1	63.4	-173.6	-7.6	112.7	E144 E282 L288	E144-R284 WeakPolarHBondContact OE1-CA 3.4Å; E144-R284 WeakPolarHBondContact OE1-CB 3.37Å; E282-R284 PolarHBondContact O-N 3.12Å; R284-L288 WeakPolarHBondContact O-CG 3.5Å; R284-L288 PolarHBondContact O-N 3.38Å
285	D	97.3	Very high	96.1	Very high	62 Å²	62	53.8 Å²	53.8	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-74.3	-31.4	179	-51.7	-46.1	0	0	0	112	P281 E282 C283	P281-D285 HydrophobicContact CB-CB 3.95Å; E282-D285 PolarHBondContact N-OD2 3.36Å; E282-D285 VanDerWaalsContact N-OD2 3.08Å; E282-D285 PolarHBondContact O-N 3.35Å; C283-D285 VanDerWaalsContact C-N 3.3Å; C283-D285 PolarHBondContact O-N 3.04Å
286	L	98	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-74.4	-32.9	175.6	-72	172	0	0	0	112	L140 I218 F268 R271 T272 P281 E282 C283 L288 D289 V292	L140-L286 HydrophobicContact CD1-CB 3.69Å; L140-L286 HydrophobicContact CD2-CB 3.97Å; L140-L286 HydrophobicContact CD2-CD1 3.8Å; I218-L286 HydrophobicContact CD1-CD1 4.25Å; I218-L286 HydrophobicContact CG2-CD1 3.72Å; F268-L286 HydrophobicContact CD2-CD2 4.1Å; F268-L286 HydrophobicContact CE2-CB 4.12Å; F268-L286 HydrophobicContact CE2-CD2 3.79Å; R271-L286 HydrophobicContact CB-CD2 4.48Å; T272-L286 HydrophobicContact CG2-CD1 4.07Å; T272-L286 HydrophobicContact CG2-CD2 4.09Å; P281-L286 HydrophobicContact CB-CD2 4.3Å; P281-L286 HydrophobicContact CB-CG 4.11Å; P281-L286 HydrophobicContact CG-CD1 4.13Å; P281-L286 HydrophobicContact CG-CD2 3.51Å; P281-L286 HydrophobicContact CG-CG 3.68Å; E282-L286 PolarHBondContact O-N 3.12Å; C283-L286 CarbonylContact O-C 3.58Å; C283-L286 PolarHBondContact O-N 3Å; C283-L286 VanDerWaalsContact O-N 3.14Å; L286-L288 PolarHBondContact O-N 3.24Å; L286-D289 WeakPolarHBondContact O-CB 3.28Å; L286-D289 PolarHBondContact O-N 3.41Å; L286-V292 WeakPolarHBondContact O-CG2 3.44Å
287	L	98	Very high	96.2	Very high	30 Å²	30	56.6 Å²	56.6	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-23.1	173.9	-76.3	166.7	0	0	0	112.6	R137 L140 Q141 E144 C283	R137-L287 HydrophobicContact CG-CD2 4.19Å; L140-L287 HydrophobicContact CB-CD2 3.7Å; L140-L287 HydrophobicContact CB-CG 3.96Å; L140-L287 HydrophobicContact CD1-CD2 4.37Å; L140-L287 HydrophobicContact CD1-CG 4.48Å; Q141-L287 HydrophobicContact CG-CD1 4.35Å; Q141-L287 HydrophobicContact CG-CD2 3.89Å; E144-L287 HydrophobicContact CB-CD1 4.37Å; E144-L287 WeakPolarHBondContact OE2-CD1 3.39Å; C283-L287 WeakPolarHBondContact O-CG 3.42Å; C283-L287 PolarHBondContact O-N 2.79Å
288	L	97.6	Very high	96.3	Very high	130 Å²	130	59.4 Å²	59.4	68%	0.681	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.6	173.2	-62.6	174.1	0	0	0	113.3	R284 L286	R284-L288 WeakPolarHBondContact O-CG 3.5Å; R284-L288 PolarHBondContact O-N 3.38Å; L286-L288 PolarHBondContact O-N 3.24Å
289	D	98	Very high	96.4	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.037	30%	0.298	C	S	.	.	S	Bend	trans	-70.8	139	-178.1	-170.2	-81.8	0	0	0	111.8	F268 R271 L286 F291 V292 S293	F268-D289 HydrophobicContact CD2-CB 3.69Å; F268-D289 VanDerWaalsContact CD2-CG 3.48Å; F268-D289 HydrophobicContact CE2-CB 3.99Å; R271-D289 IonicContact CZ-OD2 3.74Å; R271-D289 IonicContact NH1-OD2 2.69Å; R271-D289 PolarHBondContact NH1-OD2 3.16Å; L286-D289 WeakPolarHBondContact O-CB 3.28Å; L286-D289 PolarHBondContact O-N 3.41Å; D289-F291 PolarHBondContact O-N 3.32Å; D289-F291 VanDerWaalsContact OD1-CB 3.31Å; D289-F291 WeakPolarHBondContact OD1-CB 3.38Å; D289-F291 PolarHBondContact OD1-N 2.88Å; D289-V292 HydrophobicContact CB-CG2 4.5Å; D289-V292 PolarHBondContact O-N 2.99Å; D289-S293 VanDerWaalsContact O-CB 3.31Å; D289-S293 WeakPolarHBondContact O-CB 3.44Å; D289-S293 PolarHBondContact O-N 2.94Å; D289-S293 PolarHBondContact O-OG 2.87Å
290	P	97.5	Very high	96.4	Very high	74 Å²	74	51.6 Å²	51.6	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-14.1	178.6	-27.5	35.2	0	0	0	116.2	K264	K264-P290 PolarHBondContact NZ-O 2.9Å
291	F	98.1	Very high	96.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-33	173	-177.6	-116.3	0	0	0	113.1	E129 I132 R133 K264 F265 F268 D289	E129-F291 HydrophobicContact CG-CE2 3.78Å; E129-F291 HydrophobicContact CG-CZ 4.14Å; I132-F291 HydrophobicContact CG2-CE1 4.48Å; I132-F291 HydrophobicContact CG2-CZ 4.35Å; R133-F291 HydrophobicContact CB-CE1 4.16Å; R133-F291 HydrophobicContact CB-CE2 4.15Å; R133-F291 HydrophobicContact CB-CZ 3.74Å; R133-F291 WeakPolarHBondContact CD-O 3.48Å; R133-F291 HydrophobicContact CG-CZ 4.4Å; R133-F291 WeakPolarHBondContact CG-O 3.45Å; R133-F291 PolarHBondContact NE-O 2.65Å; K264-F291 HydrophobicContact CB-CB 4.35Å; K264-F291 HydrophobicContact CB-CD2 4.19Å; F265-F291 HydrophobicContact CB-CD2 3.94Å; F265-F291 HydrophobicContact CB-CE2 3.61Å; F265-F291 HydrophobicContact CB-CZ 4.11Å; F265-F291 HydrophobicContact CD2-CD1 4.23Å; F265-F291 HydrophobicContact CD2-CD2 4.42Å; F265-F291 AromaticContact CD2-CE1 3.61Å; F265-F291 HydrophobicContact CD2-CE1 3.61Å; F265-F291 AromaticContact CD2-CE2 3.82Å; F265-F291 HydrophobicContact CD2-CE2 3.82Å; F265-F291 AromaticContact CD2-CZ 3.37Å; F265-F291 HydrophobicContact CD2-CZ 3.37Å; F265-F291 HydrophobicContact CE2-CE1 4.17Å; F265-F291 HydrophobicContact CE2-CZ 4.12Å; F265-F291 HydrophobicContact CG-CE2 4.06Å; F265-F291 HydrophobicContact CG-CZ 4.03Å; F268-F291 HydrophobicContact CB-CB 3.83Å; F268-F291 HydrophobicContact CB-CD1 4.14Å; F268-F291 HydrophobicContact CB-CG 4.13Å; F268-F291 AromaticContact CD1-CD1 3.43Å; F268-F291 HydrophobicContact CD1-CD1 3.43Å; F268-F291 VanDerWaalsContact CD1-CD1 3.43Å; F268-F291 AromaticContact CD1-CE1 3.99Å; F268-F291 HydrophobicContact CD1-CE1 3.99Å; F268-F291 HydrophobicContact CD1-CG 4.26Å; F268-F291 HydrophobicContact CD2-CB 4.21Å; F268-F291 HydrophobicContact CD2-CD1 4.34Å; F268-F291 AromaticContact CE1-CD1 3.76Å; F268-F291 HydrophobicContact CE1-CD1 3.76Å; F268-F291 HydrophobicContact CE1-CE1 4.17Å; F268-F291 HydrophobicContact CG-CB 3.97Å; F268-F291 AromaticContact CG-CD1 3.73Å; F268-F291 HydrophobicContact CG-CD1 3.73Å; F268-F291 HydrophobicContact CG-CG 4.16Å; F268-F291 HydrophobicContact CZ-CD1 4.32Å; D289-F291 PolarHBondContact O-N 3.32Å; D289-F291 VanDerWaalsContact OD1-CB 3.31Å; D289-F291 WeakPolarHBondContact OD1-CB 3.38Å; D289-F291 PolarHBondContact OD1-N 2.88Å
292	V	97.7	Very high	96.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-15	-172.6	-61.8	0	0	0	0	115	R137 L140 F268 L286 D289 D294 V295	R137-V292 HydrophobicContact CB-CB 4.22Å; R137-V292 PolarHBondContact NH1-O 3.04Å; R137-V292 VanDerWaalsContact NH1-O 3.08Å; L140-V292 HydrophobicContact CD1-CG2 4.43Å; F268-V292 HydrophobicContact CE2-CG1 4.38Å; F268-V292 HydrophobicContact CE2-CG2 4.3Å; F268-V292 HydrophobicContact CZ-CG1 4.11Å; L286-V292 WeakPolarHBondContact O-CG2 3.44Å; D289-V292 HydrophobicContact CB-CG2 4.5Å; D289-V292 PolarHBondContact O-N 2.99Å; V292-D294 VanDerWaalsContact C-N 3.27Å; V292-D294 PolarHBondContact O-N 2.9Å; V292-V295 WeakPolarHBondContact O-CB 3.3Å; V292-V295 WeakPolarHBondContact O-CG2 3.49Å; V292-V295 PolarHBondContact O-N 3.29Å
293	S	96.6	Very high	96.2	Very high	58 Å²	58	51.8 Å²	51.8	41%	0.406	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.4	-172.6	60.5	0	0	0	0	113.6	R137 D289	R137-S293 PolarHBondContact NH1-O 2.91Å; D289-S293 VanDerWaalsContact O-CB 3.31Å; D289-S293 WeakPolarHBondContact O-CB 3.44Å; D289-S293 PolarHBondContact O-N 2.94Å; D289-S293 PolarHBondContact O-OG 2.87Å
294	D	94.4	Very high	96	Very high	93 Å²	93	54 Å²	54	50%	0.497	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.7	-177.1	60.8	-21.1	0	0	0	114	V292	V292-D294 VanDerWaalsContact C-N 3.27Å; V292-D294 PolarHBondContact O-N 2.9Å
295	V	96.9	Very high	95.8	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	27%	0.267	C	S	.	.			trans	-63	146.8	178.1	175.5	0	0	0	0	110.3	R133 F134 R137 V292 D299	R133-V295 HydrophobicContact CG-CG2 3.51Å; F134-V295 HydrophobicContact CD2-CG1 3.72Å; F134-V295 HydrophobicContact CE2-CG1 4.26Å; R137-V295 VanDerWaalsContact CD-CB 3.42Å; R137-V295 VanDerWaalsContact NH1-C 3.34Å; R137-V295 PolarHBondContact NH1-O 3.39Å; R137-V295 PolarHBondContact NH2-O 3.27Å; V292-V295 WeakPolarHBondContact O-CB 3.3Å; V292-V295 WeakPolarHBondContact O-CG2 3.49Å; V292-V295 PolarHBondContact O-N 3.29Å; V295-D299 WeakPolarHBondContact CA-OD2 3.41Å; V295-D299 HydrophobicContact CG1-CB 4.02Å
296	T	95.2	Very high	95.6	Very high	70 Å²	70	45.6 Å²	45.6	43%	0.429	25%	0.251	S	S	.	.			trans	-136.2	176.7	179.5	64.1	0	0	0	0	110.2	S298 D299	T296-S298 PolarHBondContact O-N 3.04Å; T296-S298 PolarHBondContact OG1-OG 2.95Å; T296-D299 PolarHBondContact N-OD2 2.97Å; T296-D299 WeakPolarHBondContact O-CB 3.41Å; T296-D299 PolarHBondContact O-N 3.49Å; T296-D299 PolarHBondContact OG1-OD2 2.91Å
297	E	93.7	Very high	95.3	Very high	121 Å²	121	46 Å²	46	57%	0.565	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-65.1	-27.1	178.1	-171.3	60	-159.9	0	0	112.4	D299 R300	E297-D299 PolarHBondContact O-N 2.88Å; E297-R300 VanDerWaalsContact CD-NH2 3.33Å; E297-R300 WeakPolarHBondContact O-CB 3.48Å; E297-R300 PolarHBondContact O-N 3.11Å; E297-R300 VanDerWaalsContact O-N 3.12Å; E297-R300 IonicContact OE1-CZ 2.59Å; E297-R300 VanDerWaalsContact OE1-CZ 3.24Å; E297-R300 IonicContact OE1-NE 3.25Å; E297-R300 PolarHBondContact OE1-NE 2.82Å; E297-R300 IonicContact OE1-NH2 2.96Å; E297-R300 PolarHBondContact OE1-NH2 3.31Å; E297-R300 IonicContact OE2-CZ 3.7Å; E297-R300 IonicContact OE2-NE 2.76Å; E297-R300 IonicContact OE2-NH2 2.72Å; E297-R300 PolarHBondContact OE2-NH2 3.31Å
298	S	93.4	Very high	94.9	Very high	90 Å²	90	46.2 Å²	46.2	63%	0.629	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26.7	176.5	62.6	0	0	0	0	112.4	T296 R300 K301	T296-S298 PolarHBondContact O-N 3.04Å; T296-S298 PolarHBondContact OG1-OG 2.95Å; S298-R300 PolarHBondContact O-N 3.16Å; S298-K301 WeakPolarHBondContact O-CB 3.3Å; S298-K301 PolarHBondContact O-N 2.94Å
299	D	95.4	Very high	94.5	Very high	63 Å²	63	40.3 Å²	40.3	34%	0.337	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-68	-16.1	175.3	-64.1	-60	0	0	0	112.6	F134 V295 T296 E297 K301 V302	F134-D299 HydrophobicContact CD2-CB 3.78Å; F134-D299 HydrophobicContact CE2-CB 4.3Å; V295-D299 WeakPolarHBondContact CA-OD2 3.41Å; V295-D299 HydrophobicContact CG1-CB 4.02Å; T296-D299 PolarHBondContact N-OD2 2.97Å; T296-D299 WeakPolarHBondContact O-CB 3.41Å; T296-D299 PolarHBondContact O-N 3.49Å; T296-D299 PolarHBondContact OG1-OD2 2.91Å; E297-D299 PolarHBondContact O-N 2.88Å; D299-K301 PolarHBondContact O-N 3.2Å; D299-V302 WeakPolarHBondContact O-CG1 3.44Å; D299-V302 VanDerWaalsContact O-CG2 3.24Å; D299-V302 WeakPolarHBondContact O-CG2 3.42Å; D299-V302 PolarHBondContact O-N 3.32Å
300	R	95.4	Very high	94	Very high	32 Å²	32	41.9 Å²	41.9	12%	0.121	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-55	-24.4	174.5	-172.5	-178.9	-58.8	-75.2	-5.1	112.3	F134 N167 E297 S298 V302 I303 Q304	F134-R300 HydrophobicContact CE1-CB 4.45Å; F134-R300 HydrophobicContact CE1-CG 4.32Å; F134-R300 VanDerWaalsContact CE2-CA 3.47Å; F134-R300 HydrophobicContact CE2-CB 3.89Å; F134-R300 VanDerWaalsContact CZ-CA 3.49Å; F134-R300 HydrophobicContact CZ-CB 3.63Å; F134-R300 HydrophobicContact CZ-CG 3.84Å; N167-R300 HydrophobicContact CB-CG 3.76Å; N167-R300 WeakPolarHBondContact O-CD 3.27Å; N167-R300 WeakPolarHBondContact O-CG 3.48Å; N167-R300 PolarHBondContact O-NH1 2.95Å; E297-R300 VanDerWaalsContact CD-NH2 3.33Å; E297-R300 WeakPolarHBondContact O-CB 3.48Å; E297-R300 PolarHBondContact O-N 3.11Å; E297-R300 VanDerWaalsContact O-N 3.12Å; E297-R300 IonicContact OE1-CZ 2.59Å; E297-R300 VanDerWaalsContact OE1-CZ 3.24Å; E297-R300 IonicContact OE1-NE 3.25Å; E297-R300 PolarHBondContact OE1-NE 2.82Å; E297-R300 IonicContact OE1-NH2 2.96Å; E297-R300 PolarHBondContact OE1-NH2 3.31Å; E297-R300 IonicContact OE2-CZ 3.7Å; E297-R300 IonicContact OE2-NE 2.76Å; E297-R300 IonicContact OE2-NH2 2.72Å; E297-R300 PolarHBondContact OE2-NH2 3.31Å; S298-R300 PolarHBondContact O-N 3.16Å; R300-V302 PolarHBondContact O-N 2.94Å; R300-V302 VanDerWaalsContact O-N 3.08Å; R300-I303 WeakPolarHBondContact O-CB 3.44Å; R300-I303 PolarHBondContact O-N 2.9Å; R300-Q304 PolarHBondContact O-N 3.32Å
301	K	93.4	Very high	93.2	Very high	68 Å²	68	43.8 Å²	43.8	30%	0.296	24%	0.241	S	C	.	.	H	α-helix	trans	-53.5	-27.5	174.1	-169.3	166	-179.3	158.2	0	113.1	S298 D299 I303 Q304 I305 D571	S298-K301 WeakPolarHBondContact O-CB 3.3Å; S298-K301 PolarHBondContact O-N 2.94Å; D299-K301 PolarHBondContact O-N 3.2Å; K301-I303 VanDerWaalsContact C-N 3.27Å; K301-I303 PolarHBondContact O-N 3.49Å; K301-Q304 WeakPolarHBondContact O-CB 3.45Å; K301-Q304 PolarHBondContact O-N 3.34Å; K301-I305 HydrophobicContact CG-CD1 4.2Å; K301-I305 HydrophobicContact CG-CG1 4.48Å; K301-I305 WeakPolarHBondContact O-CD1 3.4Å; K301-I305 VanDerWaalsContact O-CG1 3.26Å; K301-I305 WeakPolarHBondContact O-CG1 3.38Å; K301-I305 PolarHBondContact O-N 3.5Å; K301-D571 WeakPolarHBondContact CE-OD2 3.46Å; K301-D571 IonicContact NZ-OD2 3.3Å; K301-D571 PolarHBondContact NZ-OD2 3.49Å
302	V	95.2	Very high	92.4	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-31.4	175.9	-54.4	0	0	0	0	113	P130 Q131 F134 D299 R300 L306	P130-V302 HydrophobicContact CB-CG1 4.29Å; Q131-V302 HydrophobicContact CG-CB 4.26Å; Q131-V302 HydrophobicContact CG-CG2 4.43Å; F134-V302 HydrophobicContact CB-CG2 3.68Å; F134-V302 HydrophobicContact CD1-CG2 4.44Å; F134-V302 HydrophobicContact CG-CG2 4.04Å; D299-V302 WeakPolarHBondContact O-CG1 3.44Å; D299-V302 VanDerWaalsContact O-CG2 3.24Å; D299-V302 WeakPolarHBondContact O-CG2 3.42Å; D299-V302 PolarHBondContact O-N 3.32Å; R300-V302 PolarHBondContact O-N 2.94Å; R300-V302 VanDerWaalsContact O-N 3.08Å; V302-L306 WeakPolarHBondContact O-CB 3.41Å; V302-L306 PolarHBondContact O-N 3.06Å; V302-L306 VanDerWaalsContact O-N 3.07Å
303	I	95.7	Very high	91.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75	-41.7	175	-61.8	-56.8	0	0	0	110.4	F134 V135 L163 N167 R300 K301 I305 L306 L307	F134-I303 HydrophobicContact CD1-CD1 3.94Å; F134-I303 HydrophobicContact CD1-CG1 3.41Å; F134-I303 VanDerWaalsContact CD1-CG1 3.41Å; F134-I303 HydrophobicContact CE1-CD1 4.5Å; F134-I303 HydrophobicContact CE1-CG1 3.59Å; F134-I303 HydrophobicContact CG-CG1 4.43Å; V135-I303 HydrophobicContact CG2-CD1 3.9Å; L163-I303 HydrophobicContact CD1-CG2 3.98Å; L163-I303 HydrophobicContact CD2-CD1 4.38Å; L163-I303 HydrophobicContact CD2-CG2 4.14Å; N167-I303 HydrophobicContact CB-CB 4.14Å; N167-I303 HydrophobicContact CB-CG2 3.84Å; R300-I303 WeakPolarHBondContact O-CB 3.44Å; R300-I303 PolarHBondContact O-N 2.9Å; K301-I303 VanDerWaalsContact C-N 3.27Å; K301-I303 PolarHBondContact O-N 3.49Å; I303-I305 VanDerWaalsContact C-N 3.28Å; I303-I305 PolarHBondContact O-N 2.9Å; I303-L306 WeakPolarHBondContact O-CB 3.4Å; I303-L306 PolarHBondContact O-N 3.18Å; I303-L306 VanDerWaalsContact O-N 3.15Å; I303-L307 HydrophobicContact CG2-CD1 4.22Å; I303-L307 HydrophobicContact CG2-CG 4.37Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 3.04Å
304	Q	92.5	Very high	90	Very high	50 Å²	50	52.5 Å²	52.5	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-45.3	172.4	-172.9	-173.4	1.5	0	0	110.9	N167 R300 K301 L306 L307 C308 D571	N167-Q304 VanDerWaalsContact OD1-CA 3.3Å; N167-Q304 WeakPolarHBondContact OD1-CA 3.43Å; R300-Q304 PolarHBondContact O-N 3.32Å; K301-Q304 WeakPolarHBondContact O-CB 3.45Å; K301-Q304 PolarHBondContact O-N 3.34Å; Q304-L306 PolarHBondContact O-N 3.02Å; Q304-L307 PolarHBondContact O-N 3.43Å; Q304-C308 WeakPolarHBondContact O-CB 3.23Å; Q304-C308 PolarHBondContact O-N 3.28Å; Q304-C308 PolarHBondContact O-SG 3.31Å; Q304-D571 PolarHBondContact NE2-OD1 3.03Å
305	I	92.1	Very high	88.9	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.205	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-46.3	175.6	-66.2	160	0	0	0	111.5	K301 I303 L307 C308 E309 F568 I570	K301-I305 HydrophobicContact CG-CD1 4.2Å; K301-I305 HydrophobicContact CG-CG1 4.48Å; K301-I305 WeakPolarHBondContact O-CD1 3.4Å; K301-I305 VanDerWaalsContact O-CG1 3.26Å; K301-I305 WeakPolarHBondContact O-CG1 3.38Å; K301-I305 PolarHBondContact O-N 3.5Å; I303-I305 VanDerWaalsContact C-N 3.28Å; I303-I305 PolarHBondContact O-N 2.9Å; I305-L307 PolarHBondContact O-N 2.95Å; I305-C308 PolarHBondContact O-N 3.25Å; I305-E309 WeakPolarHBondContact O-CB 3.33Å; I305-E309 PolarHBondContact O-N 3.47Å; I305-F568 HydrophobicContact CG2-CE2 4.33Å; I305-I570 VanDerWaalsContact CA-CD1 3.5Å; I305-I570 HydrophobicContact CB-CD1 3.88Å; I305-I570 HydrophobicContact CG1-CD1 3.38Å; I305-I570 HydrophobicContact CG2-CD1 4.27Å
306	L	93.5	Very high	87.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-44.4	178.7	-178	63.9	0	0	0	112.1	L116 I119 L123 L127 L163 V302 I303 Q304 E309 V310	L116-L306 HydrophobicContact CD2-CD2 4.44Å; I119-L306 HydrophobicContact CG2-CD1 3.84Å; I119-L306 HydrophobicContact CG2-CD2 4.26Å; I119-L306 HydrophobicContact CG2-CG 4Å; L123-L306 HydrophobicContact CD1-CD1 3.63Å; L127-L306 HydrophobicContact CD2-CD1 3.93Å; L127-L306 HydrophobicContact CD2-CD2 3.81Å; L163-L306 HydrophobicContact CD1-CD2 4.13Å; V302-L306 WeakPolarHBondContact O-CB 3.41Å; V302-L306 PolarHBondContact O-N 3.06Å; V302-L306 VanDerWaalsContact O-N 3.07Å; I303-L306 WeakPolarHBondContact O-CB 3.4Å; I303-L306 PolarHBondContact O-N 3.18Å; I303-L306 VanDerWaalsContact O-N 3.15Å; Q304-L306 PolarHBondContact O-N 3.02Å; L306-E309 PolarHBondContact O-N 3.25Å; L306-V310 PolarHBondContact O-N 2.84Å
307	L	92.1	Very high	86.1	Confident	9 Å²	9	54.7 Å²	54.7	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-69.8	-34.9	178.8	-68.9	-178.5	0	0	0	112.7	I119 L163 T164 I303 Q304 I305 V310 N311	I119-L307 HydrophobicContact CD1-CD2 4.26Å; L163-L307 HydrophobicContact CB-CD2 4.22Å; L163-L307 HydrophobicContact CD1-CD2 3.96Å; L163-L307 HydrophobicContact CD1-CG 4.39Å; T164-L307 VanDerWaalsContact O-CD1 3.29Å; T164-L307 WeakPolarHBondContact O-CD1 3.43Å; I303-L307 HydrophobicContact CG2-CD1 4.22Å; I303-L307 HydrophobicContact CG2-CG 4.37Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 3.04Å; Q304-L307 PolarHBondContact O-N 3.43Å; I305-L307 PolarHBondContact O-N 2.95Å; L307-V310 WeakPolarHBondContact O-CG1 3.35Å; L307-N311 WeakPolarHBondContact O-CB 3.5Å; L307-N311 PolarHBondContact O-N 3.12Å; L307-N311 PolarHBondContact O-ND2 2.94Å
308	C	89.1	Confident	84.5	Confident	33 Å²	33	52.3 Å²	52.3	22%	0.223	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-37.6	172.1	-70.1	0	0	0	0	111.6	Q304 I305 N311 A312 F568 I570	Q304-C308 WeakPolarHBondContact O-CB 3.23Å; Q304-C308 PolarHBondContact O-N 3.28Å; Q304-C308 PolarHBondContact O-SG 3.31Å; I305-C308 PolarHBondContact O-N 3.25Å; C308-N311 CarbonylContact O-C 3.56Å; C308-N311 PolarHBondContact O-N 3.3Å; C308-A312 WeakPolarHBondContact O-CB 3.36Å; C308-A312 PolarHBondContact O-N 2.98Å; C308-F568 HydrophobicContact CB-CB 4.15Å; C308-F568 HydrophobicContact CB-CD2 3.41Å; C308-F568 VanDerWaalsContact CB-CD2 3.41Å; C308-F568 HydrophobicContact CB-CE2 4.04Å; C308-F568 HydrophobicContact CB-CG 4Å; C308-F568 WeakPolarHBondContact O-CB 3.5Å; C308-I570 HydrophobicContact CB-CD1 3.97Å; C308-I570 HydrophobicContact CB-CG1 4Å
309	E	88.5	Confident	82.8	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-44.8	178.5	-170	-176.3	174.9	0	0	112.1	L123 K125 I305 L306 N311 A312 R566 F568 T577	L123-E309 HydrophobicContact CD2-CB 4.46Å; L123-E309 HydrophobicContact CD2-CG 3.86Å; K125-E309 WeakPolarHBondContact CE-OE1 3.45Å; K125-E309 WeakPolarHBondContact CE-OE2 3.07Å; K125-E309 IonicContact NZ-OE1 2.65Å; K125-E309 PolarHBondContact NZ-OE1 3.14Å; K125-E309 IonicContact NZ-OE2 2.89Å; K125-E309 PolarHBondContact NZ-OE2 3.48Å; I305-E309 WeakPolarHBondContact O-CB 3.33Å; I305-E309 PolarHBondContact O-N 3.47Å; L306-E309 PolarHBondContact O-N 3.25Å; E309-N311 PolarHBondContact O-N 2.86Å; E309-A312 VanDerWaalsContact O-CB 3.24Å; E309-A312 WeakPolarHBondContact O-CB 3.35Å; E309-A312 PolarHBondContact O-N 2.83Å; E309-R566 WeakPolarHBondContact O-CD 3.38Å; E309-R566 IonicContact OE1-NH1 3.14Å; E309-F568 HydrophobicContact CB-CD1 4.45Å; E309-F568 HydrophobicContact CB-CE1 3.85Å; E309-F568 HydrophobicContact CB-CZ 3.91Å; E309-F568 HydrophobicContact CG-CE1 3.87Å; E309-F568 HydrophobicContact CG-CZ 4.26Å; E309-T577 WeakPolarHBondContact OE1-CG2 3.09Å
310	V	86.9	Confident	80.7	Confident	40 Å²	40	54.4 Å²	54.4	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-30.1	179.5	73.7	0	0	0	0	112.2	I119 A122 L123 L306 L307	I119-V310 HydrophobicContact CG2-CB 4.45Å; I119-V310 HydrophobicContact CG2-CG2 4.45Å; A122-V310 HydrophobicContact CB-CG2 3.89Å; L123-V310 HydrophobicContact CD2-CB 4.14Å; L123-V310 HydrophobicContact CD2-CG2 4.38Å; L123-V310 HydrophobicContact CG-CB 4.3Å; L123-V310 HydrophobicContact CG-CG2 4.32Å; L306-V310 PolarHBondContact O-N 2.84Å; L307-V310 WeakPolarHBondContact O-CG1 3.35Å
311	N	82.4	Confident	78.3	Confident	115 Å²	115	56.1 Å²	56.1	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	4.8	178	-66.8	-37.7	0	0	0	113.8	L307 C308 E309	L307-N311 WeakPolarHBondContact O-CB 3.5Å; L307-N311 PolarHBondContact O-N 3.12Å; L307-N311 PolarHBondContact O-ND2 2.94Å; C308-N311 CarbonylContact O-C 3.56Å; C308-N311 PolarHBondContact O-N 3.3Å; E309-N311 PolarHBondContact O-N 2.86Å
312	A	79.9	Confident	76.1	Confident	12 Å²	12	56.9 Å²	56.9	10%	0.099	30%	0.301	C	S	.	.	S	Bend	trans	-72.3	148.5	-174.7	0	0	0	0	0	113.2	C308 E309 I314 R566 F568	C308-A312 WeakPolarHBondContact O-CB 3.36Å; C308-A312 PolarHBondContact O-N 2.98Å; E309-A312 VanDerWaalsContact O-CB 3.24Å; E309-A312 WeakPolarHBondContact O-CB 3.35Å; E309-A312 PolarHBondContact O-N 2.83Å; A312-I314 PolarHBondContact O-N 3.5Å; A312-R566 HydrophobicContact CB-CB 3.72Å; A312-R566 HydrophobicContact CB-CG 4.27Å; A312-F568 HydrophobicContact CB-CB 3.83Å; A312-F568 HydrophobicContact CB-CD1 3.58Å; A312-F568 HydrophobicContact CB-CG 4.11Å
313	D	71.6	Confident	73.9	Confident	134 Å²	134	59.8 Å²	59.8	72%	0.717	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	124	170	-72.4	-31	0	0	0	110.1	R566 R567	D313-R566 WeakPolarHBondContact O-CA 3.47Å; D313-R567 PolarHBondContact N-O 3.03Å; D313-R567 PolarHBondContact O-N 3.1Å
314	I	73.1	Confident	71.3	Confident	96 Å²	96	66.4 Å²	66.4	49%	0.492	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.9	-177.9	-54.8	174.5	0	0	0	109.5	A312 R564 R566	A312-I314 PolarHBondContact O-N 3.5Å; I314-R564 HydrophobicContact CG2-CB 4.18Å; I314-R564 HydrophobicContact CG2-CG 4.15Å; I314-R566 HydrophobicContact CG1-CG 4.2Å
315	I	69.9	Low	69	Low	64 Å²	64	70.8 Å²	70.8	33%	0.328	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127	165.5	-64.7	164.4	0	0	0	108.1	T317 R564 T565 R567	I315-T317 HydrophobicContact CG2-CG2 4.34Å; I315-R564 CarbonylContact O-C 3.58Å; I315-R564 WeakPolarHBondContact O-CA 3.44Å; I315-T565 PolarHBondContact N-O 2.85Å; I315-T565 PolarHBondContact O-N 3.42Å; I315-R567 VanDerWaalsContact CD1-NE 3.33Å; I315-R567 VanDerWaalsContact CD1-NH2 3.32Å
316	E	70.5	Confident	66.3	Low	94 Å²	94	73.2 Å²	73.2	44%	0.439	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.2	-179.1	-169.7	-178.1	143.3	0	0	110.1	R562 T563 R564	E316-R562 VanDerWaalsContact CD-CZ 3.49Å; E316-R562 HydrophobicContact CG-CG 4.13Å; E316-R562 IonicContact OE1-CZ 2.78Å; E316-R562 IonicContact OE1-NE 3.99Å; E316-R562 PolarHBondContact OE1-NE 3.47Å; E316-R562 IonicContact OE1-NH2 3.99Å; E316-R562 PolarHBondContact OE1-NH2 3.49Å; E316-R562 IonicContact OE2-CZ 3.8Å; E316-R562 IonicContact OE2-NE 3.76Å; E316-R562 IonicContact OE2-NH2 3.34Å; E316-R562 PolarHBondContact OE2-NH2 2.92Å; E316-T563 WeakPolarHBondContact CA-O 3.44Å; E316-R564 HydrophobicContact CG-CG 4.32Å
317	T	63.3	Low	63.8	Low	56 Å²	56	79.5 Å²	79.5	34%	0.344	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	150.8	171.8	57.8	0	0	0	0	110.2	I315 T563	I315-T317 HydrophobicContact CG2-CG2 4.34Å; T317-T563 PolarHBondContact N-O 3.35Å; T317-T563 PolarHBondContact O-N 3.3Å; T317-T563 WeakPolarHBondContact OG1-CB 3.41Å
318	V	60.5	Low	61.3	Low	71 Å²	71	86.6 Å²	86.6	43%	0.43	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	113.2	-175.6	176.1	0	0	0	0	105.9	R560 T561 R562	V318-R560 HydrophobicContact CB-CG 4.48Å; V318-R560 HydrophobicContact CG1-CB 4.46Å; V318-R560 HydrophobicContact CG1-CG 3.2Å; V318-R560 PolarHBondContact O-NE 2.91Å; V318-R560 PolarHBondContact O-NH2 3.33Å; V318-T561 CarbonylContact C-O 3.57Å; V318-T561 WeakPolarHBondContact CA-O 3.25Å; V318-R562 HydrophobicContact CG2-CG 4.24Å
319	E	58.6	Low	58.7	Low	111 Å²	111	93.3 Å²	93.3	52%	0.519	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	-172	-74.4	179.8	-177.5	0	0	113.1	R560 T561	E319-R560 VanDerWaalsContact CA-NH2 3.29Å; E319-R560 VanDerWaalsContact N-NE 3.18Å; E319-R560 CarbonylContact O-C 3.54Å; E319-R560 VanDerWaalsContact O-CA 3.24Å; E319-R560 WeakPolarHBondContact O-CA 3.44Å; E319-R560 WeakPolarHBondContact O-CD 3.43Å; E319-R560 WeakPolarHBondContact O-CG 3.4Å; E319-R560 PolarHBondContact O-NE 3.27Å; E319-R560 VanDerWaalsContact O-NE 3.17Å; E319-T561 PolarHBondContact N-O 2.62Å; E319-T561 PolarHBondContact O-N 2.94Å
320	D	49.8	Very low	56.2	Low	86 Å²	86	96.8 Å²	96.8	46%	0.46	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.4	-179.5	-80.1	-40.8	0	0	0	108.1	D322 R560	D320-D322 PolarHBondContact O-N 3.05Å; D320-R560 WeakPolarHBondContact OD1-CD 3.46Å; D320-R560 IonicContact OD1-CZ 2.87Å; D320-R560 VanDerWaalsContact OD1-CZ 3.3Å; D320-R560 IonicContact OD1-NE 2.69Å; D320-R560 IonicContact OD1-NH1 2.98Å; D320-R560 PolarHBondContact OD1-NH1 3.28Å; D320-R560 IonicContact OD2-CZ 2.99Å; D320-R560 IonicContact OD2-NH1 3.11Å; D320-R560 PolarHBondContact OD2-NH1 3.39Å; D320-R560 IonicContact OD2-NH2 2.69Å
321	F	45.3	Very low	53.7	Low	68 Å²	68	99.7 Å²	99.7	30%	0.298	53%	0.525	S	S	.	.			trans	-66.2	117.8	172.5	-174.2	-93.6	0	0	0	108.7	P323 S557 Y559	F321-P323 VanDerWaalsContact O-CD 3.29Å; F321-P323 WeakPolarHBondContact O-CD 3.37Å; F321-S557 VanDerWaalsContact O-CB 3.29Å; F321-S557 WeakPolarHBondContact O-CB 3.48Å; F321-S557 PolarHBondContact O-OG 2.97Å; F321-Y559 WeakPolarHBondContact CB-O 3.44Å; F321-Y559 PolarHBondContact N-O 3Å; F321-Y559 VanDerWaalsContact N-O 3.13Å
322	D	48.2	Very low	51.7	Low	83 Å²	83	100.8 Å²	100.8	44%	0.444	53%	0.531	S	S	.	.			trans	-80.2	115	174.8	-168.5	-19.2	0	0	0	109.4	D320 N324 E325	D320-D322 PolarHBondContact O-N 3.05Å; D322-N324 PolarHBondContact O-N 3.47Å; D322-N324 VanDerWaalsContact O-N 3.14Å; D322-N324 PolarHBondContact OD1-N 2.88Å; D322-N324 PolarHBondContact OD1-ND2 3.29Å; D322-N324 VanDerWaalsContact OD1-ND2 3.13Å; D322-E325 PolarHBondContact O-N 3.38Å
323	P	48.5	Very low	49.6	Very low	87 Å²	87	103.6 Å²	103.6	57%	0.565	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.8	178.8	28.1	-34.2	0	0	0	114.6	F321	F321-P323 VanDerWaalsContact O-CD 3.29Å; F321-P323 WeakPolarHBondContact O-CD 3.37Å
324	N	41.4	Very low	48	Very low	139 Å²	139	102.6 Å²	102.6	74%	0.743	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	0.8	177	-53.9	-70.5	0	0	0	114.4	D322	D322-N324 PolarHBondContact O-N 3.47Å; D322-N324 VanDerWaalsContact O-N 3.14Å; D322-N324 PolarHBondContact OD1-N 2.88Å; D322-N324 PolarHBondContact OD1-ND2 3.29Å; D322-N324 VanDerWaalsContact OD1-ND2 3.13Å
325	E	43.7	Very low	46.4	Very low	143 Å²	143	104.4 Å²	104.4	67%	0.668	55%	0.549	S	S	*	.	S	Bend	trans	-68.8	127.7	162.6	-89.7	-168.8	169.7	0	0	108.8	D322 I327	D322-E325 PolarHBondContact O-N 3.38Å; E325-I327 PolarHBondContact O-N 3.37Å
326	P	35.6	Very low	44.8	Very low	91 Å²	91	103.2 Å²	103.2	59%	0.591	54%	0.543	S	S	*	.			trans	-60.3	124.3	178.9	-16.7	28.6	0	0	0	110.2	D328 E329	P326-D328 PolarHBondContact O-N 2.97Å; P326-D328 VanDerWaalsContact O-N 3.13Å; P326-E329 PolarHBondContact O-N 2.87Å
327	I	41	Very low	43.4	Very low	132 Å²	132	102.3 Å²	102.3	68%	0.677	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-61.1	-21.1	178.1	-67	166.1	0	0	0	111.6	E325 E329	E325-I327 PolarHBondContact O-N 3.37Å; I327-E329 PolarHBondContact O-N 3.46Å
328	D	39.1	Very low	42.2	Very low	157 Å²	157	101.8 Å²	101.8	84%	0.84	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-86.4	2.1	-173.1	-58.9	-31.5	0	0	0	114.5	P326	P326-D328 PolarHBondContact O-N 2.97Å; P326-D328 VanDerWaalsContact O-N 3.13Å
329	E	34.1	Very low	40.7	Very low	174 Å²	174	103.6 Å²	103.6	81%	0.813	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-121.8	21.3	170.1	-73.6	-173.4	-175.3	0	0	113.2	P326 I327 D331	P326-E329 PolarHBondContact O-N 2.87Å; I327-E329 PolarHBondContact O-N 3.46Å; E329-D331 PolarHBondContact O-N 3.41Å
330	I	36.6	Very low	39.5	Very low	80 Å²	80	103 Å²	103	41%	0.41	55%	0.547	S	S	.	.			trans	-75.5	83.3	161.4	-55.5	173.8	0	0	0	106.5	D332 D334	I330-D332 PolarHBondContact O-N 2.83Å; I330-D334 HydrophobicContact CG2-CB 4.29Å
331	D	35.1	Very low	38.4	Very low	101 Å²	101	102.4 Å²	102.4	54%	0.54	55%	0.549	S	S	.	.			trans	-48.3	133.7	167.5	-175.9	9.3	0	0	0	108.7	E329 N333 D334	E329-D331 PolarHBondContact O-N 3.41Å; D331-N333 PolarHBondContact O-N 3.34Å; D331-N333 PolarHBondContact OD1-ND2 2.99Å; D331-N333 PolarHBondContact OD2-ND2 3.11Å; D331-D334 PolarHBondContact O-N 2.92Å
332	D	39.7	Very low	37.6	Very low	137 Å²	137	107 Å²	107	73%	0.733	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-11.3	-177.7	-82.9	-48.4	0	0	0	113.1	I330	I330-D332 PolarHBondContact O-N 2.83Å
333	N	36.6	Very low	36.8	Very low	72 Å²	72	108.6 Å²	108.6	39%	0.385	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	-30.3	171.8	-68.9	-29.1	0	0	0	115.1	D331 L335 N336 I339	D331-N333 PolarHBondContact O-N 3.34Å; D331-N333 PolarHBondContact OD1-ND2 2.99Å; D331-N333 PolarHBondContact OD2-ND2 3.11Å; N333-L335 VanDerWaalsContact C-N 3.32Å; N333-L335 PolarHBondContact O-N 3.35Å; N333-N336 PolarHBondContact O-N 2.92Å; N333-I339 WeakPolarHBondContact OD1-CD1 3.34Å
334	D	36.8	Very low	36	Very low	113 Å²	113	107.1 Å²	107.1	60%	0.604	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-12.4	-176.6	-108.4	-8.7	0	0	0	113.9	I330 D331 N336	I330-D334 HydrophobicContact CG2-CB 4.29Å; D331-D334 PolarHBondContact O-N 2.92Å; D334-N336 VanDerWaalsContact C-N 3.32Å
335	L	39.4	Very low	35.3	Very low	133 Å²	133	109.3 Å²	109.3	70%	0.696	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-0	171.7	-87.7	152.2	0	0	0	113	N333	N333-L335 VanDerWaalsContact C-N 3.32Å; N333-L335 PolarHBondContact O-N 3.35Å
336	N	36.2	Very low	34.5	Very low	40 Å²	40	107.7 Å²	107.7	21%	0.214	58%	0.582	C	S	.	*			trans	-147.5	118.3	-168.6	-136.1	-0.8	0	0	0	113.3	L260 N333 D334 L338	L260-N336 VanDerWaalsContact CD1-ND2 3.33Å; L260-N336 WeakPolarHBondContact CD1-ND2 3.37Å; N333-N336 PolarHBondContact O-N 2.92Å; D334-N336 VanDerWaalsContact C-N 3.32Å; N336-L338 PolarHBondContact O-N 3.18Å
337	P	41.5	Very low	34	Very low	74 Å²	74	107.3 Å²	107.3	48%	0.481	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	18.5	178.1	-16.7	29.6	0	0	0	115.8
338	L	38.6	Very low	33.2	Very low	46 Å²	46	105.7 Å²	105.7	24%	0.241	57%	0.573	C	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.7	-169.8	-80.3	173.4	0	0	0	114.6	P126 L260 N336	P126-L338 HydrophobicContact CG-CD2 4.2Å; L260-L338 HydrophobicContact CB-CD1 4.46Å; L260-L338 HydrophobicContact CD1-CD1 3.89Å; N336-L338 PolarHBondContact O-N 3.18Å
339	I	29.2	Very low	32.5	Very low	108 Å²	108	104 Å²	104	55%	0.554	57%	0.571	S	S	*	*	S	Bend	trans	-131.1	117.3	179.8	-64.3	164.8	0	0	0	108.9	N333 S341	N333-I339 WeakPolarHBondContact OD1-CD1 3.34Å; I339-S341 PolarHBondContact O-N 3.08Å
340	L	32.6	Very low	32.1	Very low	100 Å²	100	101.8 Å²	101.8	52%	0.524	57%	0.569	S	S	.	*			trans	-59.7	118.7	161.9	-89.2	121.9	0	0	0	106.9	T344	L340-T344 HydrophobicContact CD2-CG2 3.86Å
341	S	26.7	Very low	31.5	Very low	73 Å²	73	106.5 Å²	106.5	51%	0.51	59%	0.589	S	S	.	*			trans	-47.7	141	173	51.7	0	0	0	0	111.3	I339 S343 T344	I339-S341 PolarHBondContact O-N 3.08Å; S341-S343 PolarHBondContact O-N 3.02Å; S341-T344 PolarHBondContact O-N 3.48Å; S341-T344 PolarHBondContact O-OG1 3.23Å
342	D	29.9	Very low	30.9	Very low	164 Å²	164	110.3 Å²	110.3	88%	0.877	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-14.6	176.6	-100.8	-18.8	0	0	0	114.6	T344	D342-T344 PolarHBondContact O-N 3.47Å
343	S	30.3	Very low	30.2	Very low	116 Å²	116	110.1 Å²	110.1	81%	0.811	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-10.4	169.8	-37.6	0	0	0	0	113.7	S341	S341-S343 PolarHBondContact O-N 3.02Å
344	T	32.2	Very low	29.5	Very low	56 Å²	56	111.7 Å²	111.7	34%	0.344	63%	0.625	S	S	.	*			trans	-102.2	64.7	176	-18.3	0	0	0	0	109.9	L340 S341 D342 L346	L340-T344 HydrophobicContact CD2-CG2 3.86Å; S341-T344 PolarHBondContact O-N 3.48Å; S341-T344 PolarHBondContact O-OG1 3.23Å; D342-T344 PolarHBondContact O-N 3.47Å; T344-L346 VanDerWaalsContact C-N 3.33Å; T344-L346 PolarHBondContact O-N 3.44Å
345	K	25.6	Very low	29	Very low	186 Å²	186	113.6 Å²	113.6	81%	0.809	64%	0.635	S	S	*	*			trans	-56.6	102	160.9	-89.5	-175.5	176	-179.1	0	108.1	S347	K345-S347 PolarHBondContact O-N 3.3Å
346	L	28.3	Very low	28.3	Very low	109 Å²	109	114.4 Å²	114.4	57%	0.571	64%	0.64	S	S	*	*			trans	-63.2	86.3	157.8	-90.7	130.5	0	0	0	107.2	T344 I348	T344-L346 VanDerWaalsContact C-N 3.33Å; T344-L346 PolarHBondContact O-N 3.44Å; L346-I348 HydrophobicContact CB-CG1 4.45Å; L346-I348 HydrophobicContact CD2-CD1 3.94Å; L346-I348 HydrophobicContact CD2-CG1 4.05Å; L346-I348 PolarHBondContact O-N 3.45Å
347	S	23.6	Very low	27.7	Very low	82 Å²	82	116.1 Å²	116.1	57%	0.573	67%	0.667	S	S	*	*			trans	-73.4	77.9	162.8	56.3	0	0	0	0	107.9	K345 P349	K345-S347 PolarHBondContact O-N 3.3Å; S347-P349 WeakPolarHBondContact O-CD 3.41Å
348	I	26.1	Very low	26.9	Very low	99 Å²	99	119.6 Å²	119.6	51%	0.508	68%	0.681	S	S	.	*			trans	-80.1	117.7	161.3	-60.6	172.9	0	0	0	105.3	L346 V350	L346-I348 HydrophobicContact CB-CG1 4.45Å; L346-I348 HydrophobicContact CD2-CD1 3.94Å; L346-I348 HydrophobicContact CD2-CG1 4.05Å; L346-I348 PolarHBondContact O-N 3.45Å; I348-V350 PolarHBondContact O-N 2.87Å
349	P	23	Very low	26.5	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	71%	0.712	S	S	*	*			trans	-69.5	97.6	171.7	-9.1	25.5	0	0	0	107.6	S347	S347-P349 WeakPolarHBondContact O-CD 3.41Å
350	V	26.6	Very low	26.3	Very low	127 Å²	127	127.3 Å²	127.3	77%	0.77	72%	0.724	S	S	*	*			trans	-75.5	117.5	154.8	177.6	0	0	0	0	104.5	I348 M352	I348-V350 PolarHBondContact O-N 2.87Å; V350-M352 PolarHBondContact O-N 3.42Å; V350-M352 VanDerWaalsContact O-N 3.11Å
351	E	23.9	Very low	26.2	Very low	179 Å²	179	129.3 Å²	129.3	84%	0.836	74%	0.74	S	S	*	*			trans	-47.6	121.1	173.9	-77	-180	150.9	0	0	109.2	V353	E351-V353 PolarHBondContact O-N 3.03Å
352	M	21.6	Very low	26	Very low	181 Å²	181	132.5 Å²	132.5	89%	0.892	75%	0.752	S	S	*	*			trans	-53.5	107.2	171.3	-78.1	166.9	46.7	0	0	109	V350	V350-M352 PolarHBondContact O-N 3.42Å; V350-M352 VanDerWaalsContact O-N 3.11Å
353	V	25.5	Very low	26	Very low	133 Å²	133	132 Å²	132	81%	0.806	75%	0.749	S	S	*	*			trans	-97.7	103.8	148.5	-174.3	0	0	0	0	105.2	E351	E351-V353 PolarHBondContact O-N 3.03Å
354	C	21.9	Very low	25.8	Very low	106 Å²	106	133.4 Å²	133.4	72%	0.716	74%	0.742	S	S	*	*			trans	-53.6	125.2	159	43.3	0	0	0	0	109.7
355	D	26.5	Very low	25.7	Very low	153 Å²	153	140.9 Å²	140.9	82%	0.818	77%	0.77	S	S	*	*			trans	-146.9	132.7	144.8	-155.8	12.9	0	0	0	109
356	D	23.9	Very low	25.7	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	77%	0.765	S	S	*	*			trans	-75.5	154.4	-170.8	-65.5	-57.4	0	0	0	111.4
357	G	25.4	Very low	25.9	Very low	76 Å²	76	141.4 Å²	141.4	78%	0.784	78%	0.783	S	S	*	*			trans	-174.2	63.3	177.3	0	0	0	0	0	111.9
358	D	23.9	Very low	25.9	Very low	146 Å²	146	143.3 Å²	143.3	78%	0.781	79%	0.79	S	S	*	*			trans	-52.5	141.2	156.5	-70.8	-42.9	0	0	0	110.2
359	D	30.8	Very low	26	Very low	166 Å²	166	146.8 Å²	146.8	89%	0.888	81%	0.808	S	S	*	*			trans	-164.6	94	143.2	-95.2	-24.4	0	0	0	109
360	D	23.7	Very low	25.9	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	81%	0.806	S	S	*	*			trans	-60.6	136.2	151.1	-70.1	-52.4	0	0	0	109.7
361	V	30.5	Very low	25.9	Very low	142 Å²	142	141.8 Å²	141.8	86%	0.861	80%	0.804	S	S	*	*			trans	-157.7	125	131.2	-155.3	0	0	0	0	110.9
362	D	23.6	Very low	25.9	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	80%	0.802	S	S	*	*			trans	-46.5	154.2	155.6	-71.9	-56.1	0	0	0	113.8
363	D	29.5	Very low	26	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	79%	0.792	S	S	*	*				-166.5	145.5	113.8	-132.9	-18.7	0	0	0	114.3
364	H	25.4	Very low	26	Very low	147 Å²	147	139.6 Å²	139.6	68%	0.681	79%	0.79	S	S	*	*			trans	-64.8	145	179.8	-68.3	-87.8	0	0	0	114.6
365	K	31.3	Very low	26	Very low	212 Å²	212	141.4 Å²	141.4	92%	0.922	79%	0.793	S	S	*	*			trans	-144.1	112.3	134.4	-77.5	-161.7	177.5	169.1	0	112.3
366	N	24.7	Very low	25.8	Very low	133 Å²	133	138.9 Å²	138.9	71%	0.711	79%	0.787	S	S	*	*			trans	-63.3	141.7	157.1	-76.8	-38.7	0	0	0	110.3
367	D	32.4	Very low	25.8	Very low	174 Å²	174	140.5 Å²	140.5	93%	0.93	79%	0.787	S	S	*	*			trans	-136.1	123.1	141.2	-96.1	-32.2	0	0	0	109.3
368	V	22.9	Very low	25.5	Very low	122 Å²	122	143.9 Å²	143.9	74%	0.739	79%	0.787	S	S	*	*			trans	-120.2	119.1	-178.8	165.9	0	0	0	0	106.6
369	I	29	Very low	25.5	Very low	172 Å²	172	143.9 Å²	143.9	88%	0.882	79%	0.787	S	S	*	*			trans	-158.1	123.4	148.6	-55.3	-173	0	0	0	104.3
370	G	21.9	Very low	25.2	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	78%	0.78	S	S	*	*			cis	111.9	108.1	24.8	0	0	0	0	0	109.5
371	G	25.2	Very low	25.1	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	78%	0.784	S	S	*	*			trans	138.5	81	171.9	0	0	0	0	0	112.4
372	E	24.1	Very low	24.9	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	78%	0.777	S	S	*	*				84.5	116.9	81.3	-81.8	-168.4	160.2	0	0	114.9
373	I	24.1	Very low	24.9	Very low	133 Å²	133	144.3 Å²	144.3	68%	0.682	78%	0.781	S	S	*	*				65	128.6	128.7	-54.2	167	0	0	0	116.1
374	D	25.2	Very low	24.6	Very low	143 Å²	143	146 Å²	146	77%	0.765	78%	0.781	S	S	*	*			cis	-158	154.7	27.9	-143.2	-19.4	0	0	0	111.7
375	N	21.2	Very low	24.4	Very low	145 Å²	145	145.8 Å²	145.8	78%	0.775	79%	0.785	S	S	*	*			trans	-76.5	134	155.4	-83.5	-51.1	0	0	0	108.6
376	S	23.9	Very low	24.1	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	78%	0.777	S	S	*	*				164.6	136.2	119.9	51.5	0	0	0	0	114.4
377	K	22.8	Very low	24	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.796	78%	0.78	S	S	*	*			trans	71.8	111.1	140.4	-73.1	171.6	-178.6	173.3	0	119.3
378	N	19.6	Very low	23.4	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	77%	0.773	S	S	*	*				36.2	114	118.9	-67.9	-6	0	0	0	116.1
379	D	23.9	Very low	23.5	Very low	146 Å²	146	146.4 Å²	146.4	78%	0.781	78%	0.778	S	S	*	*				-155.1	133.5	129.3	-96.5	-25.1	0	0	0	113.1
380	H	24.7	Very low	23.2	Very low	160 Å²	160	145 Å²	145	74%	0.741	77%	0.772	S	S	*	*			trans	67.9	99.6	147.8	-70.9	-63.5	0	0	0	122
381	E	21	Very low	23.2	Very low	191 Å²	191	148.1 Å²	148.1	89%	0.893	77%	0.772	S	S	*	*			trans	-34.2	130.9	133.2	-89.8	179.1	134.4	0	0	113.2
382	S	25.6	Very low	23.4	Very low	102 Å²	102	152.1 Å²	152.1	71%	0.713	78%	0.777	S	S	*	*			trans	-148.8	119.3	148.6	-43.6	0	0	0	0	110.7
383	N	25.2	Very low	23.3	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	78%	0.776	S	S	*	*			trans	53	100.1	148.5	-61.9	-27.7	0	0	0	117.9
384	K	22.4	Very low	23.3	Very low	188 Å²	188	146.4 Å²	146.4	82%	0.817	78%	0.779	S	S	*	*				32.6	114.1	78.5	-83.8	-176.8	-178.4	169.9	0	115.3
385	N	22	Very low	23.1	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	78%	0.784	S	S	*	*				122.5	142.2	121.5	-88.8	-22	0	0	0	119.2
386	L	24	Very low	23.3	Very low	144 Å²	144	145.2 Å²	145.2	75%	0.754	78%	0.78	S	S	*	*			trans	80.1	109.9	163.4	-87.7	69.9	0	0	0	116.4
387	K	22.5	Very low	23.1	Very low	176 Å²	176	144.2 Å²	144.2	77%	0.765	79%	0.786	S	S	*	*				91.7	120.7	61.3	-90.8	-168.3	175.6	-176.4	0	113.1
388	Q	20.2	Very low	23.2	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	79%	0.789	S	S	*	*			trans	40.4	118.6	138.5	-75.2	-179.9	-38.2	0	0	119.1
389	I	25.6	Very low	23.2	Very low	165 Å²	165	140 Å²	140	85%	0.846	79%	0.785	S	S	*	*				-157.3	109.6	125.7	-59.1	-165.9	0	0	0	105.7
390	N	22.7	Very low	23.2	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	79%	0.789	S	S	*	*				82.6	117.1	82.3	-127.3	38	0	0	0	115.1
391	D	21.9	Very low	23	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	79%	0.788	S	S	*	*			trans	-6.2	138	154.5	-56.9	-31.1	0	0	0	120.1
392	N	28.1	Very low	23.2	Very low	154 Å²	154	137 Å²	137	82%	0.824	79%	0.79	S	S	*	*				-171.4	122.1	125.6	-100.3	-11.8	0	0	0	113.8
393	S	23	Very low	23	Very low	113 Å²	113	138 Å²	138	79%	0.79	79%	0.791	S	S	*	*			trans	19.6	140.8	134.8	62.4	0	0	0	0	123.1
394	G	23.4	Very low	23	Very low	71 Å²	71	137.5 Å²	137.5	73%	0.732	79%	0.794	S	S	*	*			trans	125	96.4	150.4	0	0	0	0	0	112.3
395	D	21.4	Very low	22.9	Very low	162 Å²	162	133.8 Å²	133.8	87%	0.866	79%	0.792	S	S	*	*				73.8	145.9	86.2	-167.4	34.3	0	0	0	114.7
396	S	24.9	Very low	23.2	Very low	101 Å²	101	136 Å²	136	71%	0.706	80%	0.797	S	S	*	*			trans	87.4	96.7	-179.1	67.8	0	0	0	0	117.2
397	G	20.1	Very low	23.3	Very low	79 Å²	79	136.2 Å²	136.2	81%	0.814	80%	0.8	S	S	*	*			trans	-65.8	142.9	158.2	0	0	0	0	0	111.9
398	V	25.6	Very low	23.3	Very low	142 Å²	142	136.9 Å²	136.9	86%	0.861	81%	0.805	S	S	*	*			trans	-139.3	134.7	152.6	-170.4	0	0	0	0	107.7
399	S	19.7	Very low	23.6	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	80%	0.803	S	S	*	*			trans	-51.1	161.3	174.9	-179.5	0	0	0	0	115
400	L	22.4	Very low	23.8	Very low	165 Å²	165	132.6 Å²	132.6	86%	0.864	80%	0.798	S	S	*	*			trans	116.8	98.4	137.1	-143.1	77.8	0	0	0	116.4
401	G	21.2	Very low	24.2	Very low	70 Å²	70	129.9 Å²	129.9	72%	0.722	79%	0.79	S	S	*	*				79.3	108.4	128.7	0	0	0	0	0	119
402	Q	25.9	Very low	24.6	Very low	200 Å²	200	129.7 Å²	129.7	94%	0.935	79%	0.789	S	S	*	*				-160.2	140.1	119.6	-112.8	170.7	-1.2	0	0	112
403	T	20.2	Very low	24.9	Very low	122 Å²	122	128.1 Å²	128.1	75%	0.748	78%	0.781	S	S	*	*			trans	-80.3	138.8	-173.6	47.3	0	0	0	0	112.7
404	T	25.9	Very low	25.5	Very low	145 Å²	145	130.9 Å²	130.9	89%	0.89	78%	0.778	S	S	*	*			trans	-143.9	112.8	138.9	48.1	0	0	0	0	108.9
405	S	21.4	Very low	26	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	78%	0.776	S	S	*	*			trans	-65.3	138.8	175.9	-43	0	0	0	0	111.5
406	E	27.4	Very low	26.9	Very low	188 Å²	188	131.1 Å²	131.1	88%	0.879	76%	0.76	S	S	*	*			trans	-153.6	92.3	148.2	-110.9	167.9	-151.9	0	0	110.5
407	N	25.6	Very low	28	Very low	150 Å²	150	131 Å²	131	80%	0.802	75%	0.751	S	S	*	*			trans	50.3	102	143.3	-62.4	-22.3	0	0	0	121.8
408	Q	23.8	Very low	29.7	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	74%	0.741	S	S	*	*			trans	-67.3	121.3	151.4	-64.8	170.3	-7.8	0	0	110.7
409	S	26.3	Very low	30.9	Very low	105 Å²	105	130 Å²	130	73%	0.734	72%	0.72	S	S	*	*			trans	-142.2	14.7	161.3	66.4	0	0	0	0	114.9
410	D	29.9	Very low	32.5	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	70%	0.7	S	S	*	*	S	Bend	trans	-113.4	8.2	-176.4	-80.1	-19.8	0	0	0	115.3
411	S	30.5	Very low	34.2	Very low	87 Å²	87	123.4 Å²	123.4	61%	0.608	68%	0.678	S	S	*	*	H	α-helix	trans	-90.4	-19.6	-179.3	-56.9	0	0	0	0	114.7
412	N	29.7	Very low	36.2	Very low	132 Å²	132	125.9 Å²	125.9	71%	0.706	67%	0.671	S	S	*	*	H	α-helix	trans	-81.6	-29.9	-176.7	-79.5	-6.4	0	0	0	114.2	N416	N412-N416 PolarHBondContact O-N 2.92Å
413	N	33.7	Very low	37.5	Very low	122 Å²	122	117.7 Å²	117.7	65%	0.652	63%	0.633	S	S	*	*	H	α-helix	trans	-75.2	-35.9	-177.5	-85.1	-11	0	0	0	113.5	M415 N416 D417	N413-M415 VanDerWaalsContact C-N 3.29Å; N413-M415 PolarHBondContact O-N 2.89Å; N413-N416 PolarHBondContact O-N 3.2Å; N413-D417 PolarHBondContact O-N 3.38Å
414	K	37.1	Very low	39.2	Very low	170 Å²	170	112.5 Å²	112.5	74%	0.739	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-30.3	176.7	-83.8	-177.4	175.7	177.2	0	113.2	H418	K414-H418 PolarHBondContact O-N 3.47Å
415	M	34	Very low	40.9	Very low	140 Å²	140	110.3 Å²	110.3	69%	0.69	59%	0.586	S	S	*	*	H	α-helix	trans	-72.6	-35.4	179	-155.3	140.7	176	0	0	111.1	N413 V419	N413-M415 VanDerWaalsContact C-N 3.29Å; N413-M415 PolarHBondContact O-N 2.89Å; M415-V419 WeakPolarHBondContact O-CG2 3.48Å; M415-V419 PolarHBondContact O-N 3.26Å
416	N	40.2	Very low	42.5	Very low	99 Å²	99	109.8 Å²	109.8	53%	0.529	57%	0.571	S	S	.	*	H	α-helix	trans	-68.6	-41.8	174.8	-81.2	-18.7	0	0	0	112.9	N412 N413 V419 I420	N412-N416 PolarHBondContact O-N 2.92Å; N413-N416 PolarHBondContact O-N 3.2Å; N416-V419 PolarHBondContact O-N 3.36Å; N416-I420 WeakPolarHBondContact O-CD1 3.5Å; N416-I420 WeakPolarHBondContact O-CG1 3.4Å; N416-I420 PolarHBondContact O-N 3.25Å
417	D	48.2	Very low	43.7	Very low	97 Å²	97	101.6 Å²	101.6	52%	0.519	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-41.5	178.7	-82.4	-15.3	0	0	0	111.9	N413 V419 I420 D421	N413-D417 PolarHBondContact O-N 3.38Å; D417-V419 PolarHBondContact O-N 2.9Å; D417-I420 PolarHBondContact O-N 3.35Å; D417-D421 PolarHBondContact O-N 3.34Å
418	H	54.4	Low	45.2	Very low	131 Å²	131	98.9 Å²	98.9	61%	0.606	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-37.4	177.6	-161.3	-61.5	0	0	0	112.5	K414 I420 D421 E422	K414-H418 PolarHBondContact O-N 3.47Å; H418-I420 VanDerWaalsContact C-N 3.34Å; H418-D421 PolarHBondContact O-N 2.97Å; H418-E422 WeakPolarHBondContact O-CB 3.41Å; H418-E422 PolarHBondContact O-N 3.2Å
419	V	52.5	Low	46.9	Very low	69 Å²	69	93 Å²	93	42%	0.418	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-36.5	174.3	171.5	0	0	0	0	110.8	M415 N416 D417 I423	M415-V419 WeakPolarHBondContact O-CG2 3.48Å; M415-V419 PolarHBondContact O-N 3.26Å; N416-V419 PolarHBondContact O-N 3.36Å; D417-V419 PolarHBondContact O-N 2.9Å; V419-I423 HydrophobicContact CG1-CD1 3.75Å; V419-I423 HydrophobicContact CG1-CG1 4.46Å; V419-I423 WeakPolarHBondContact O-CB 3.39Å; V419-I423 WeakPolarHBondContact O-CD1 3.33Å; V419-I423 WeakPolarHBondContact O-CG1 3.49Å; V419-I423 PolarHBondContact O-N 3.03Å
420	I	51.8	Low	48.1	Very low	53 Å²	53	90 Å²	90	27%	0.272	47%	0.47	S	S	.	.	H	α-helix	trans	-66.3	-43.2	175.4	-70.2	166.1	0	0	0	111	N416 D417 H418 I423 A424	N416-I420 WeakPolarHBondContact O-CD1 3.5Å; N416-I420 WeakPolarHBondContact O-CG1 3.4Å; N416-I420 PolarHBondContact O-N 3.25Å; D417-I420 PolarHBondContact O-N 3.35Å; H418-I420 VanDerWaalsContact C-N 3.34Å; I420-I423 PolarHBondContact O-N 3.12Å; I420-A424 WeakPolarHBondContact O-CB 3.44Å; I420-A424 PolarHBondContact O-N 3.5Å
421	D	58.6	Low	49.4	Very low	74 Å²	74	85.9 Å²	85.9	40%	0.396	45%	0.45	S	S	.	.	H	α-helix	trans	-66.9	-42.8	178.9	-76.6	-28.2	0	0	0	111.5	R242 D417 H418 I423 A424 D425	R242-D421 IonicContact NH1-OD1 3.11Å; D417-D421 PolarHBondContact O-N 3.34Å; H418-D421 PolarHBondContact O-N 2.97Å; D421-I423 PolarHBondContact O-N 3.12Å; D421-A424 PolarHBondContact O-N 2.93Å; D421-A424 VanDerWaalsContact O-N 3.17Å; D421-D425 PolarHBondContact O-N 3.4Å
422	E	62.2	Low	50.6	Low	123 Å²	123	88 Å²	88	58%	0.575	45%	0.453	S	S	*	.	H	α-helix	trans	-63.3	-40.2	176.2	-171.2	173.7	-172.9	0	0	112.1	H418 D425 Q426	H418-E422 WeakPolarHBondContact O-CB 3.41Å; H418-E422 PolarHBondContact O-N 3.2Å; E422-D425 PolarHBondContact O-N 2.97Å; E422-Q426 WeakPolarHBondContact O-CB 3.47Å; E422-Q426 PolarHBondContact O-N 2.91Å
423	I	53.9	Low	51.6	Low	27 Å²	27	86 Å²	86	14%	0.138	45%	0.446	C	S	.	.	H	α-helix	trans	-64.9	-42.3	173.5	-69.5	166.2	0	0	0	110.6	V419 I420 D421 D425 Q426 L427 I452	V419-I423 HydrophobicContact CG1-CD1 3.75Å; V419-I423 HydrophobicContact CG1-CG1 4.46Å; V419-I423 WeakPolarHBondContact O-CB 3.39Å; V419-I423 WeakPolarHBondContact O-CD1 3.33Å; V419-I423 WeakPolarHBondContact O-CG1 3.49Å; V419-I423 PolarHBondContact O-N 3.03Å; I420-I423 PolarHBondContact O-N 3.12Å; D421-I423 PolarHBondContact O-N 3.12Å; I423-D425 VanDerWaalsContact C-N 3.34Å; I423-D425 PolarHBondContact O-N 3.44Å; I423-Q426 PolarHBondContact O-N 3.5Å; I423-L427 HydrophobicContact CG2-CD1 3.71Å; I423-L427 HydrophobicContact CG2-CG 4.15Å; I423-L427 WeakPolarHBondContact O-CB 3.38Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 2.84Å; I423-I452 HydrophobicContact CD1-CD1 4.12Å; I423-I452 HydrophobicContact CG1-CD1 4.09Å
424	A	55.3	Low	52.5	Low	14 Å²	14	82.1 Å²	82.1	12%	0.116	43%	0.429	C	S	.	.	H	α-helix	trans	-62.3	-41.7	179.7	0	0	0	0	0	112	I420 D421 L427 I428	I420-A424 WeakPolarHBondContact O-CB 3.44Å; I420-A424 PolarHBondContact O-N 3.5Å; D421-A424 PolarHBondContact O-N 2.93Å; D421-A424 VanDerWaalsContact O-N 3.17Å; A424-L427 PolarHBondContact O-N 3.27Å; A424-I428 VanDerWaalsContact O-CG1 3.28Å; A424-I428 WeakPolarHBondContact O-CG1 3.49Å; A424-I428 PolarHBondContact O-N 3.44Å
425	D	62.3	Low	52.8	Low	99 Å²	99	83.7 Å²	83.7	53%	0.529	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-39.5	178.2	-74.8	-9.9	0	0	0	111.9	D421 E422 I423 L427 I428 T429	D421-D425 PolarHBondContact O-N 3.4Å; E422-D425 PolarHBondContact O-N 2.97Å; I423-D425 VanDerWaalsContact C-N 3.34Å; I423-D425 PolarHBondContact O-N 3.44Å; D425-L427 VanDerWaalsContact C-N 3.31Å; D425-L427 PolarHBondContact O-N 3.35Å; D425-I428 PolarHBondContact O-N 2.9Å; D425-T429 PolarHBondContact O-N 3.17Å; D425-T429 VanDerWaalsContact O-N 3.08Å; D425-T429 PolarHBondContact O-OG1 2.74Å
426	Q	55	Low	53.3	Low	98 Å²	98	81.5 Å²	81.5	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-40.5	173.6	-168.7	59.6	49.1	0	0	111.2	E422 I423 T429 D430	E422-Q426 WeakPolarHBondContact O-CB 3.47Å; E422-Q426 PolarHBondContact O-N 2.91Å; I423-Q426 PolarHBondContact O-N 3.5Å; Q426-T429 CarbonylContact O-C 3.3Å; Q426-T429 WeakPolarHBondContact O-CA 3.48Å; Q426-T429 WeakPolarHBondContact O-CB 3.48Å; Q426-T429 PolarHBondContact O-N 3.47Å; Q426-D430 PolarHBondContact NE2-OD1 3.39Å; Q426-D430 PolarHBondContact O-N 2.77Å
427	L	52.8	Low	53.6	Low	16 Å²	16	85.6 Å²	85.6	8%	0.084	45%	0.449	C	S	.	.	H	α-helix	trans	-68.7	-38.4	178.8	-71.9	175.1	0	0	0	114.2	I423 A424 D425 T429 D430 V431 C444 V445 S448	I423-L427 HydrophobicContact CG2-CD1 3.71Å; I423-L427 HydrophobicContact CG2-CG 4.15Å; I423-L427 WeakPolarHBondContact O-CB 3.38Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 2.84Å; A424-L427 PolarHBondContact O-N 3.27Å; D425-L427 VanDerWaalsContact C-N 3.31Å; D425-L427 PolarHBondContact O-N 3.35Å; L427-T429 PolarHBondContact O-N 2.96Å; L427-D430 PolarHBondContact O-N 3.32Å; L427-V431 WeakPolarHBondContact O-CB 3.09Å; L427-V431 VanDerWaalsContact O-CG2 3.22Å; L427-V431 WeakPolarHBondContact O-CG2 3.17Å; L427-V431 PolarHBondContact O-N 2.87Å; L427-C444 VanDerWaalsContact CD2-C 3.46Å; L427-C444 VanDerWaalsContact CD2-O 3.3Å; L427-C444 WeakPolarHBondContact CD2-O 3.32Å; L427-V445 HydrophobicContact CD1-CB 4.2Å; L427-V445 HydrophobicContact CD1-CG1 4.3Å; L427-V445 HydrophobicContact CD1-CG2 3.62Å; L427-V445 HydrophobicContact CD2-CB 4.26Å; L427-V445 HydrophobicContact CD2-CG2 4.16Å; L427-V445 HydrophobicContact CG-CG2 4.44Å; L427-S448 VanDerWaalsContact CD2-OG 3.28Å; L427-S448 WeakPolarHBondContact CD2-OG 3.25Å
428	I	58.1	Low	53.4	Low	93 Å²	93	85.8 Å²	85.8	48%	0.477	46%	0.458	S	S	.	.	H	α-helix	trans	-59.4	-43.3	171.7	-70.8	164.6	0	0	0	108.9	A424 D425 I432	A424-I428 VanDerWaalsContact O-CG1 3.28Å; A424-I428 WeakPolarHBondContact O-CG1 3.49Å; A424-I428 PolarHBondContact O-N 3.44Å; D425-I428 PolarHBondContact O-N 2.9Å; I428-I432 HydrophobicContact CG2-CD1 3.6Å; I428-I432 WeakPolarHBondContact O-CB 3.47Å; I428-I432 VanDerWaalsContact O-CD1 3.3Å; I428-I432 WeakPolarHBondContact O-CD1 3.2Å; I428-I432 WeakPolarHBondContact O-CG1 3.46Å; I428-I432 PolarHBondContact O-N 3.02Å; I428-I432 VanDerWaalsContact O-N 3.08Å
429	T	58.6	Low	52.9	Low	66 Å²	66	81.2 Å²	81.2	41%	0.405	44%	0.44	S	S	.	.	H	α-helix	trans	-64.4	-46.3	177.8	-54.6	0	0	0	0	112	D425 Q426 L427 I432 T433	D425-T429 PolarHBondContact O-N 3.17Å; D425-T429 VanDerWaalsContact O-N 3.08Å; D425-T429 PolarHBondContact O-OG1 2.74Å; Q426-T429 CarbonylContact O-C 3.3Å; Q426-T429 WeakPolarHBondContact O-CA 3.48Å; Q426-T429 WeakPolarHBondContact O-CB 3.48Å; Q426-T429 PolarHBondContact O-N 3.47Å; L427-T429 PolarHBondContact O-N 2.96Å; T429-I432 PolarHBondContact O-N 3.48Å; T429-T433 HydrophobicContact CG2-CG2 4.15Å; T429-T433 WeakPolarHBondContact O-CB 3.35Å; T429-T433 VanDerWaalsContact O-CG2 3.26Å; T429-T433 WeakPolarHBondContact O-CG2 3.31Å; T429-T433 PolarHBondContact O-N 3.49Å; T429-T433 PolarHBondContact O-OG1 2.94Å
430	D	50.4	Low	52.9	Low	42 Å²	42	80.9 Å²	80.9	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-68	-37.9	-177.2	-65.4	-11.7	0	0	0	111.8	Q426 L427 I432 T433 S434 C444 S448	Q426-D430 PolarHBondContact NE2-OD1 3.39Å; Q426-D430 PolarHBondContact O-N 2.77Å; L427-D430 PolarHBondContact O-N 3.32Å; D430-I432 VanDerWaalsContact C-N 3.35Å; D430-T433 PolarHBondContact O-N 3.38Å; D430-S434 VanDerWaalsContact O-CB 3.3Å; D430-S434 WeakPolarHBondContact O-CB 3.26Å; D430-S434 PolarHBondContact O-N 3.28Å; D430-C444 HydrophobicContact CB-CB 4.45Å; D430-S448 PolarHBondContact OD2-OG 3.09Å
431	V	57.7	Low	52.9	Low	51 Å²	51	82.9 Å²	82.9	31%	0.309	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-37.3	173.4	171.7	0	0	0	0	111.6	L427 S434 I441 C444	L427-V431 WeakPolarHBondContact O-CB 3.09Å; L427-V431 VanDerWaalsContact O-CG2 3.22Å; L427-V431 WeakPolarHBondContact O-CG2 3.17Å; L427-V431 PolarHBondContact O-N 2.87Å; V431-S434 PolarHBondContact O-OG 3.36Å; V431-I441 HydrophobicContact CG2-CG1 4.37Å; V431-C444 HydrophobicContact CG2-CB 3.49Å; V431-C444 VanDerWaalsContact CG2-CB 3.49Å
432	I	55.6	Low	52.4	Low	131 Å²	131	81.2 Å²	81.2	67%	0.672	44%	0.443	S	S	*	.	H	α-helix	trans	-75	-33	179.5	-69.9	168.7	0	0	0	111.4	I428 T429 D430	I428-I432 HydrophobicContact CG2-CD1 3.6Å; I428-I432 WeakPolarHBondContact O-CB 3.47Å; I428-I432 VanDerWaalsContact O-CD1 3.3Å; I428-I432 WeakPolarHBondContact O-CD1 3.2Å; I428-I432 WeakPolarHBondContact O-CG1 3.46Å; I428-I432 PolarHBondContact O-N 3.02Å; I428-I432 VanDerWaalsContact O-N 3.08Å; T429-I432 PolarHBondContact O-N 3.48Å; D430-I432 VanDerWaalsContact C-N 3.35Å
433	T	52	Low	51.8	Low	92 Å²	92	78 Å²	78	56%	0.564	44%	0.435	S	S	*	.	H	α-helix	trans	-98.7	-7.7	-171.6	57.5	0	0	0	0	114.5	T429 D430 E435	T429-T433 HydrophobicContact CG2-CG2 4.15Å; T429-T433 WeakPolarHBondContact O-CB 3.35Å; T429-T433 VanDerWaalsContact O-CG2 3.26Å; T429-T433 WeakPolarHBondContact O-CG2 3.31Å; T429-T433 PolarHBondContact O-N 3.49Å; T429-T433 PolarHBondContact O-OG1 2.94Å; D430-T433 PolarHBondContact O-N 3.38Å; T433-E435 PolarHBondContact O-N 3.24Å
434	S	52.9	Low	51.8	Low	40 Å²	40	76.9 Å²	76.9	28%	0.28	43%	0.429	S	S	.	.			trans	-62.6	131.7	-178.5	61.5	0	0	0	0	113.4	D430 V431 T436 P439	D430-S434 VanDerWaalsContact O-CB 3.3Å; D430-S434 WeakPolarHBondContact O-CB 3.26Å; D430-S434 PolarHBondContact O-N 3.28Å; V431-S434 PolarHBondContact O-OG 3.36Å; S434-T436 VanDerWaalsContact C-N 3.32Å; S434-T436 PolarHBondContact O-N 2.97Å; S434-P439 WeakPolarHBondContact OG-CG 3.46Å
435	E	43.2	Very low	51.6	Low	203 Å²	203	77.5 Å²	77.5	95%	0.949	43%	0.431	S	S	*	.			trans	-84	0.7	176.1	-66.4	-173.3	165.2	0	0	114	T433	T433-E435 PolarHBondContact O-N 3.24Å
436	T	42.8	Very low	51.1	Low	93 Å²	93	76.7 Å²	76.7	57%	0.571	42%	0.423	S	S	*	.	S	Bend	trans	-81.6	142.2	176.4	62.2	0	0	0	0	110.8	S434 S438 P439	S434-T436 VanDerWaalsContact C-N 3.32Å; S434-T436 PolarHBondContact O-N 2.97Å; T436-S438 PolarHBondContact O-N 3.28Å; T436-P439 WeakPolarHBondContact O-CD 3.48Å; T436-P439 WeakPolarHBondContact OG1-CG 3.41Å
437	Q	47.6	Very low	51.1	Low	185 Å²	185	78.4 Å²	78.4	86%	0.864	43%	0.431	S	S	*	.	S	Bend	trans	-72.7	0.2	-168.2	-140.4	152.8	28.4	0	0	114.8
438	S	44.4	Very low	51.1	Low	102 Å²	102	78.2 Å²	78.2	71%	0.713	43%	0.432	S	S	*	.			trans	-176.9	82.4	167.8	53.2	0	0	0	0	109.7	T436	T436-S438 PolarHBondContact O-N 3.28Å
439	P	42.9	Very low	50.4	Low	35 Å²	35	76.7 Å²	76.7	23%	0.227	42%	0.423	C	S	.	.			trans	-73.8	130.9	166.6	16.3	-2.5	0	0	0	107.4	S434 T436	S434-P439 WeakPolarHBondContact OG-CG 3.46Å; T436-P439 WeakPolarHBondContact O-CD 3.48Å; T436-P439 WeakPolarHBondContact OG1-CG 3.41Å
440	S	52.7	Low	50	Low	61 Å²	61	77.5 Å²	77.5	43%	0.427	43%	0.425	S	S	.	.			trans	-67.1	147.1	165.1	81.9	0	0	0	0	108.2	T442 S443 C444	S440-T442 PolarHBondContact O-N 3.19Å; S440-T442 WeakPolarHBondContact OG-CB 3.42Å; S440-T442 PolarHBondContact OG-N 3.37Å; S440-S443 WeakPolarHBondContact O-CA 3.46Å; S440-S443 WeakPolarHBondContact O-CB 3.5Å; S440-S443 PolarHBondContact O-N 3.15Å; S440-S443 PolarHBondContact OG-N 3.35Å; S440-S443 VanDerWaalsContact OG-N 3.1Å; S440-C444 PolarHBondContact O-N 3.21Å
441	I	51.7	Low	49.6	Very low	95 Å²	95	80.7 Å²	80.7	49%	0.487	44%	0.442	S	S	.	.	H	α-helix	trans	-47.6	-37.7	171.1	-73.7	168.3	0	0	0	110.1	T241 V431 S443 C444 V445	T241-I441 HydrophobicContact CG2-CG2 4.32Å; V431-I441 HydrophobicContact CG2-CG1 4.37Å; I441-S443 PolarHBondContact O-N 3.02Å; I441-C444 PolarHBondContact O-N 2.93Å; I441-V445 HydrophobicContact CG2-CG2 4.16Å; I441-V445 WeakPolarHBondContact O-CB 3.4Å; I441-V445 WeakPolarHBondContact O-CG2 3.35Å; I441-V445 PolarHBondContact O-N 2.87Å
442	T	47.7	Very low	48.9	Very low	39 Å²	39	81.3 Å²	81.3	24%	0.239	44%	0.443	C	S	.	.	H	α-helix	trans	-64.5	-35.1	176.7	-39.6	0	0	0	0	113.7	T206 S440 F446	T206-T442 HydrophobicContact CG2-CG2 3.62Å; S440-T442 PolarHBondContact O-N 3.19Å; S440-T442 WeakPolarHBondContact OG-CB 3.42Å; S440-T442 PolarHBondContact OG-N 3.37Å; T442-F446 PolarHBondContact O-N 3.4Å
443	S	50.1	Low	48	Very low	56 Å²	56	80.7 Å²	80.7	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-68.6	-44.2	175.7	-166.6	0	0	0	0	111.7	S440 I441 F446 E447	S440-S443 WeakPolarHBondContact O-CA 3.46Å; S440-S443 WeakPolarHBondContact O-CB 3.5Å; S440-S443 PolarHBondContact O-N 3.15Å; S440-S443 PolarHBondContact OG-N 3.35Å; S440-S443 VanDerWaalsContact OG-N 3.1Å; I441-S443 PolarHBondContact O-N 3.02Å; S443-F446 PolarHBondContact O-N 3.01Å; S443-E447 PolarHBondContact O-N 2.84Å
444	C	53.6	Low	47.3	Very low	4 Å²	4	79.8 Å²	79.8	3%	0.027	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-43.5	174.8	-68.4	0	0	0	0	111.1	L427 D430 V431 S440 I441 F446 E447 S448	L427-C444 VanDerWaalsContact CD2-C 3.46Å; L427-C444 VanDerWaalsContact CD2-O 3.3Å; L427-C444 WeakPolarHBondContact CD2-O 3.32Å; D430-C444 HydrophobicContact CB-CB 4.45Å; V431-C444 HydrophobicContact CG2-CB 3.49Å; V431-C444 VanDerWaalsContact CG2-CB 3.49Å; S440-C444 PolarHBondContact O-N 3.21Å; I441-C444 PolarHBondContact O-N 2.93Å; C444-F446 PolarHBondContact O-N 3.3Å; C444-F446 VanDerWaalsContact O-N 3.07Å; C444-E447 PolarHBondContact O-N 3.09Å; C444-S448 PolarHBondContact O-N 2.98Å; C444-S448 PolarHBondContact O-OG 3.3Å
445	V	51.5	Low	46.6	Very low	26 Å²	26	83.8 Å²	83.8	16%	0.158	45%	0.451	C	S	.	.	H	α-helix	trans	-48.4	-38.2	171.8	175.1	0	0	0	0	111.5	L245 L427 I441 M449	L245-V445 HydrophobicContact CD2-CG1 4.44Å; L427-V445 HydrophobicContact CD1-CB 4.2Å; L427-V445 HydrophobicContact CD1-CG1 4.3Å; L427-V445 HydrophobicContact CD1-CG2 3.62Å; L427-V445 HydrophobicContact CD2-CB 4.26Å; L427-V445 HydrophobicContact CD2-CG2 4.16Å; L427-V445 HydrophobicContact CG-CG2 4.44Å; I441-V445 HydrophobicContact CG2-CG2 4.16Å; I441-V445 WeakPolarHBondContact O-CB 3.4Å; I441-V445 WeakPolarHBondContact O-CG2 3.35Å; I441-V445 PolarHBondContact O-N 2.87Å; V445-M449 HydrophobicContact CG1-SD 3.85Å; V445-M449 WeakPolarHBondContact O-CB 3.5Å; V445-M449 WeakPolarHBondContact O-CG 3.3Å; V445-M449 PolarHBondContact O-N 2.95Å
446	F	52.8	Low	46.1	Very low	82 Å²	82	80 Å²	80	36%	0.36	44%	0.436	S	S	.	.	H	α-helix	trans	-88.6	-36.8	-173.9	-163.3	-100.1	0	0	0	114.8	T442 S443 C444 S448 M449 N450	T442-F446 PolarHBondContact O-N 3.4Å; S443-F446 PolarHBondContact O-N 3.01Å; C444-F446 PolarHBondContact O-N 3.3Å; C444-F446 VanDerWaalsContact O-N 3.07Å; F446-S448 VanDerWaalsContact C-N 3.31Å; F446-S448 PolarHBondContact O-N 3.21Å; F446-M449 PolarHBondContact O-N 3.05Å; F446-M449 VanDerWaalsContact O-N 3.09Å; F446-N450 WeakPolarHBondContact CE1-ND2 3.28Å; F446-N450 PolarHBondContact O-N 3.38Å
447	E	54.6	Low	45.4	Very low	134 Å²	134	81.8 Å²	81.8	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-58.1	-46.3	172.7	-78.9	-174.6	168.6	0	0	110.6	S443 C444 M449 N450 D451	S443-E447 PolarHBondContact O-N 2.84Å; C444-E447 PolarHBondContact O-N 3.09Å; E447-M449 VanDerWaalsContact C-N 3.26Å; E447-M449 PolarHBondContact O-N 3.42Å; E447-N450 PolarHBondContact O-N 3.36Å; E447-D451 PolarHBondContact O-N 3.03Å
448	S	52.7	Low	44.4	Very low	13 Å²	13	81.5 Å²	81.5	9%	0.091	44%	0.437	C	S	.	.	H	α-helix	trans	-66.2	-27.6	176	-30.6	0	0	0	0	112.3	L427 D430 C444 F446 I452	L427-S448 VanDerWaalsContact CD2-OG 3.28Å; L427-S448 WeakPolarHBondContact CD2-OG 3.25Å; D430-S448 PolarHBondContact OD2-OG 3.09Å; C444-S448 PolarHBondContact O-N 2.98Å; C444-S448 PolarHBondContact O-OG 3.3Å; F446-S448 VanDerWaalsContact C-N 3.31Å; F446-S448 PolarHBondContact O-N 3.21Å; S448-I452 WeakPolarHBondContact O-CD1 3.33Å; S448-I452 WeakPolarHBondContact O-CG1 3.25Å; S448-I452 PolarHBondContact O-N 3.26Å
449	M	43.9	Very low	43.4	Very low	61 Å²	61	81.5 Å²	81.5	30%	0.3	44%	0.437	S	S	.	.	H	α-helix	trans	-75.7	-34.8	174.5	-80.3	173.6	65.7	0	0	113.8	V445 F446 E447 D451 I452 H453	V445-M449 HydrophobicContact CG1-SD 3.85Å; V445-M449 WeakPolarHBondContact O-CB 3.5Å; V445-M449 WeakPolarHBondContact O-CG 3.3Å; V445-M449 PolarHBondContact O-N 2.95Å; F446-M449 PolarHBondContact O-N 3.05Å; F446-M449 VanDerWaalsContact O-N 3.09Å; E447-M449 VanDerWaalsContact C-N 3.26Å; E447-M449 PolarHBondContact O-N 3.42Å; M449-D451 VanDerWaalsContact C-N 3.33Å; M449-I452 PolarHBondContact O-N 3.07Å; M449-H453 PolarHBondContact O-N 3.36Å
450	N	48.3	Very low	42.6	Very low	82 Å²	82	85.6 Å²	85.6	44%	0.439	46%	0.464	S	S	.	.	H	α-helix	trans	-66.3	-36	176.6	-98	-9.4	0	0	0	111.8	F446 E447 I452 H453 S454	F446-N450 WeakPolarHBondContact CE1-ND2 3.28Å; F446-N450 PolarHBondContact O-N 3.38Å; E447-N450 PolarHBondContact O-N 3.36Å; N450-I452 VanDerWaalsContact C-N 3.33Å; N450-H453 PolarHBondContact O-N 3.24Å; N450-S454 PolarHBondContact O-N 3.01Å; N450-S454 VanDerWaalsContact O-N 3.08Å; N450-S454 PolarHBondContact O-OG 2.91Å
451	D	43.4	Very low	41.2	Very low	110 Å²	110	90.3 Å²	90.3	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-64	-39.6	173.9	-74	-16.5	0	0	0	111.4	E447 M449 S454 I455	E447-D451 PolarHBondContact O-N 3.03Å; M449-D451 VanDerWaalsContact C-N 3.33Å; D451-S454 WeakPolarHBondContact O-CB 3.48Å; D451-S454 PolarHBondContact O-N 3.14Å; D451-I455 VanDerWaalsContact O-CG1 3.32Å; D451-I455 WeakPolarHBondContact O-CG1 3.36Å; D451-I455 PolarHBondContact O-N 3.41Å; D451-I455 VanDerWaalsContact O-N 3.12Å
452	I	43.6	Very low	39.9	Very low	64 Å²	64	92.4 Å²	92.4	33%	0.328	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-40	176.4	-65.2	167.2	0	0	0	111.5	I423 S448 M449 N450 S454 I455 I456	I423-I452 HydrophobicContact CD1-CD1 4.12Å; I423-I452 HydrophobicContact CG1-CD1 4.09Å; S448-I452 WeakPolarHBondContact O-CD1 3.33Å; S448-I452 WeakPolarHBondContact O-CG1 3.25Å; S448-I452 PolarHBondContact O-N 3.26Å; M449-I452 PolarHBondContact O-N 3.07Å; N450-I452 VanDerWaalsContact C-N 3.33Å; I452-S454 PolarHBondContact O-N 3.14Å; I452-I455 PolarHBondContact O-N 3.5Å; I452-I455 VanDerWaalsContact O-N 3.15Å; I452-I456 HydrophobicContact CG2-CD1 3.69Å; I452-I456 HydrophobicContact CG2-CG1 4.32Å; I452-I456 WeakPolarHBondContact O-CG1 3.49Å; I452-I456 PolarHBondContact O-N 2.82Å
453	H	36.6	Very low	38.6	Very low	118 Å²	118	95.8 Å²	95.8	55%	0.546	53%	0.526	S	S	.	.	H	α-helix	trans	-61.6	-32.1	174.7	-115.8	-67.1	0	0	0	112.3	M449 N450 I457	M449-H453 PolarHBondContact O-N 3.36Å; N450-H453 PolarHBondContact O-N 3.24Å; H453-I457 WeakPolarHBondContact O-CG1 3.47Å; H453-I457 PolarHBondContact O-N 2.89Å
454	S	37.2	Very low	37.4	Very low	73 Å²	73	98.3 Å²	98.3	51%	0.51	54%	0.544	S	S	.	.	H	α-helix	trans	-70.8	-36.1	175.7	-54.2	0	0	0	0	112.6	N450 D451 I452	N450-S454 PolarHBondContact O-N 3.01Å; N450-S454 VanDerWaalsContact O-N 3.08Å; N450-S454 PolarHBondContact O-OG 2.91Å; D451-S454 WeakPolarHBondContact O-CB 3.48Å; D451-S454 PolarHBondContact O-N 3.14Å; I452-S454 PolarHBondContact O-N 3.14Å
455	I	36.5	Very low	36	Very low	123 Å²	123	105.2 Å²	105.2	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-72.8	-39.5	178.3	-67.2	163.7	0	0	0	110.9	D451 I452 I457	D451-I455 VanDerWaalsContact O-CG1 3.32Å; D451-I455 WeakPolarHBondContact O-CG1 3.36Å; D451-I455 PolarHBondContact O-N 3.41Å; D451-I455 VanDerWaalsContact O-N 3.12Å; I452-I455 PolarHBondContact O-N 3.5Å; I452-I455 VanDerWaalsContact O-N 3.15Å; I455-I457 PolarHBondContact O-N 3.44Å
456	I	32.8	Very low	34.6	Very low	123 Å²	123	109.4 Å²	109.4	63%	0.631	61%	0.611	S	S	*	*	H	α-helix	trans	-71.8	-30.1	-177.8	-65.9	170.4	0	0	0	112.2	I452	I452-I456 HydrophobicContact CG2-CD1 3.69Å; I452-I456 HydrophobicContact CG2-CG1 4.32Å; I452-I456 WeakPolarHBondContact O-CG1 3.49Å; I452-I456 PolarHBondContact O-N 2.82Å
457	I	29	Very low	33.8	Very low	132 Å²	132	111 Å²	111	68%	0.677	63%	0.63	S	S	*	*	H	α-helix	trans	-82.9	-20.6	-177.9	-64.5	173	0	0	0	112.6	H453 I455 S459	H453-I457 WeakPolarHBondContact O-CG1 3.47Å; H453-I457 PolarHBondContact O-N 2.89Å; I455-I457 PolarHBondContact O-N 3.44Å; I457-S459 PolarHBondContact O-N 3.23Å
458	K	25.7	Very low	32.2	Very low	178 Å²	178	108.6 Å²	108.6	77%	0.774	63%	0.633	S	S	*	*	S	Bend	trans	-102.6	63.6	176.6	-72.1	-176.4	-179.2	173.3	0	112.4
459	S	24.7	Very low	31	Very low	103 Å²	103	114.7 Å²	114.7	72%	0.72	67%	0.67	S	S	*	*			trans	-157.4	94.6	154.3	-83.2	0	0	0	0	110.3	I457	I457-S459 PolarHBondContact O-N 3.23Å
460	P	26	Very low	30	Very low	121 Å²	121	119 Å²	119	79%	0.786	69%	0.694	S	S	*	*			trans	-78.7	133.4	167.3	12.9	1.4	0	0	0	110.3	T462	P460-T462 PolarHBondContact O-N 3.27Å
461	N	23.3	Very low	29	Very low	160 Å²	160	122.6 Å²	122.6	86%	0.856	71%	0.711	S	S	*	*			trans	-27.9	120.5	161.2	-69.1	-27.5	0	0	0	112.9
462	T	24	Very low	27.9	Very low	139 Å²	139	122.8 Å²	122.8	85%	0.853	72%	0.717	S	S	*	*			trans	-157.2	129.4	136.6	33.3	0	0	0	0	111.2	P460	P460-T462 PolarHBondContact O-N 3.27Å
463	S	20.9	Very low	26.9	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	74%	0.738	S	S	*	*			trans	-72.1	162	168.3	42.7	0	0	0	0	112
464	S	24.1	Very low	26.3	Very low	109 Å²	109	125.7 Å²	125.7	76%	0.762	75%	0.746	S	S	*	*			trans	97.1	112.2	158.4	77.3	0	0	0	0	119.9
465	N	23.7	Very low	25.5	Very low	150 Å²	150	128.4 Å²	128.4	80%	0.802	76%	0.759	S	S	*	*			trans	56.1	108.5	136.2	-69.8	-9.4	0	0	0	122.6
466	S	23.7	Very low	24.8	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	76%	0.764	S	S	*	*			trans	72.3	160.7	137	75.1	0	0	0	0	119.4
467	P	34.4	Very low	24.1	Very low	115 Å²	115	127 Å²	127	75%	0.747	77%	0.766	S	S	*	*			cis	-130.1	173.3	-38.1	33.7	-16.9	0	0	0	113
468	A	22.2	Very low	23.8	Very low	83 Å²	83	127.9 Å²	127.9	69%	0.686	77%	0.772	S	S	*	*			trans	70.6	106.5	154.6	0	0	0	0	0	118.9
469	T	27.2	Very low	23.5	Very low	142 Å²	142	123.9 Å²	123.9	87%	0.871	77%	0.767	S	S	*	*			trans	-148.3	97.1	132.3	-8.6	0	0	0	0	108.8	I471	T469-I471 PolarHBondContact O-N 3Å
470	N	22.4	Very low	23.2	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	77%	0.769	S	S	*	*			trans	-61.2	111.6	169.6	-74.1	-28.1	0	0	0	108.7
471	I	27.1	Very low	22.9	Very low	156 Å²	156	125 Å²	125	80%	0.8	76%	0.763	S	S	*	*			trans	-92.1	102.3	156.5	-64.6	177.9	0	0	0	106.4	T469 T473	T469-I471 PolarHBondContact O-N 3Å; I471-T473 PolarHBondContact O-N 3.48Å
472	T	20	Very low	22.8	Very low	115 Å²	115	125 Å²	125	71%	0.706	76%	0.755	S	S	*	*			trans	-61.5	115.3	171.4	-56.4	0	0	0	0	109.6	T474	T472-T474 HydrophobicContact CG2-CG2 4.33Å
473	T	24.6	Very low	22.5	Very low	126 Å²	126	124.7 Å²	124.7	77%	0.773	75%	0.753	S	S	*	*			trans	-119.5	114.2	156.7	-1.3	0	0	0	0	107.5	I471 V475	I471-T473 PolarHBondContact O-N 3.48Å; T473-V475 PolarHBondContact O-N 3.07Å
474	T	22.2	Very low	22.6	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	76%	0.758	S	S	*	*			trans	-63.4	120	-173.8	33.1	0	0	0	0	111.5	T472 V476	T472-T474 HydrophobicContact CG2-CG2 4.33Å; T474-V476 PolarHBondContact O-N 3.32Å
475	V	20.4	Very low	22.4	Very low	129 Å²	129	131.5 Å²	131.5	78%	0.782	76%	0.761	S	S	*	*			trans	-74.3	107.8	161.6	175.1	0	0	0	0	107.2	T473	T473-V475 PolarHBondContact O-N 3.07Å
476	V	21.6	Very low	22.5	Very low	121 Å²	121	131 Å²	131	73%	0.733	76%	0.762	S	S	*	*			trans	-100.5	106.9	157.6	177.4	0	0	0	0	107	T474	T474-V476 PolarHBondContact O-N 3.32Å
477	S	18.7	Very low	22.3	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	76%	0.755	S	S	*	*			trans	-66.6	121.6	165	-39.2	0	0	0	0	108.6
478	N	22.1	Very low	21.6	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	76%	0.762	S	S	*	*			trans	-121.8	111.9	155.6	-96.5	-10.4	0	0	0	109
479	S	20	Very low	21.6	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	77%	0.767	S	S	*	*			trans	-25.7	139.5	156	42.2	0	0	0	0	117.5
480	T	18.2	Very low	21.3	Very low	125 Å²	125	138 Å²	138	77%	0.767	77%	0.767	S	S	*	*			trans	12.3	121.4	132.5	43.3	0	0	0	0	117.7
481	D	21	Very low	21.3	Very low	124 Å²	124	134.1 Å²	134.1	66%	0.663	76%	0.762	S	S	*	*				-173.4	137.7	112.5	-108.5	-12.6	0	0	0	113.7
482	K	20.6	Very low	21	Very low	160 Å²	160	134 Å²	134	70%	0.696	76%	0.763	S	S	*	*			trans	65.5	101.9	139.2	-66.8	165.9	-175	142.9	0	120.2
483	T	18	Very low	21.3	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	77%	0.766	S	S	*	*				-4.6	115.6	120.6	49.4	0	0	0	0	116.3
484	E	22.3	Very low	21.2	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	76%	0.762	S	S	*	*			trans	-126	124	147.8	-86.3	-170.3	165.3	0	0	110.4
485	H	20.2	Very low	21.6	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.815	77%	0.767	S	S	*	*			trans	-60.3	124.1	170.9	-90.8	-94.9	0	0	0	110.9
486	V	24.8	Very low	21.7	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	77%	0.773	S	S	*	*			trans	-127.2	108.6	147.7	-177.7	0	0	0	0	108.1
487	T	20.2	Very low	21.9	Very low	106 Å²	106	142.1 Å²	142.1	65%	0.65	78%	0.775	S	S	*	*			trans	-60.6	125.6	-179.9	39.8	0	0	0	0	112	V489	T487-V489 PolarHBondContact O-N 3.45Å
488	K	20.4	Very low	22	Very low	205 Å²	205	148 Å²	148	89%	0.891	78%	0.783	S	S	*	*			trans	-60.4	112.1	159.1	-77	175.1	173.9	175.8	0	109.1
489	V	21.9	Very low	22.1	Very low	129 Å²	129	149.5 Å²	149.5	78%	0.782	79%	0.785	S	S	*	*			trans	-95.3	116.2	161.8	175.3	0	0	0	0	107.6	T487 G491	T487-V489 PolarHBondContact O-N 3.45Å; V489-G491 PolarHBondContact O-N 3.34Å
490	N	19.8	Very low	22.1	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	78%	0.783	S	S	*	*			trans	-63.9	117.7	167.9	-78.7	-21	0	0	0	109.5
491	G	22.4	Very low	22.4	Very low	69 Å²	69	151.6 Å²	151.6	71%	0.711	79%	0.786	S	S	*	*			trans	-131	95.7	170.8	0	0	0	0	0	109.4	V489 V493	V489-G491 PolarHBondContact O-N 3.34Å; G491-V493 PolarHBondContact O-N 2.87Å
492	N	20.8	Very low	22.2	Very low	155 Å²	155	150.6 Å²	150.6	83%	0.829	78%	0.784	S	S	*	*			trans	-61.4	120.7	173.6	-149.4	28.5	0	0	0	109.2
493	V	27.2	Very low	22.3	Very low	127 Å²	127	151.2 Å²	151.2	77%	0.77	79%	0.789	S	S	*	*			trans	-129	104.6	165.6	-178.5	0	0	0	0	108.4	G491 N495	G491-V493 PolarHBondContact O-N 2.87Å; V493-N495 PolarHBondContact O-N 3.47Å
494	D	22.9	Very low	22.9	Very low	129 Å²	129	150.7 Å²	150.7	69%	0.69	79%	0.788	S	S	*	*			trans	-52.3	123.3	167.2	-76.4	-55	0	0	0	111.1
495	N	30.1	Very low	22.7	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	79%	0.787	S	S	*	*			trans	-117.4	83.8	157.7	-98.5	-16.3	0	0	0	109.1	V493 V497	V493-N495 PolarHBondContact O-N 3.47Å; N495-V497 PolarHBondContact O-N 3.47Å
496	R	21.9	Very low	22.8	Very low	240 Å²	240	153 Å²	153	91%	0.906	79%	0.792	S	S	*	*			trans	-71.8	105	157.2	-91.6	178.2	168	173.9	-2	108.2
497	V	25.5	Very low	22.6	Very low	128 Å²	128	154.1 Å²	154.1	78%	0.776	79%	0.789	S	S	*	*			trans	-109.9	118.7	157	179	0	0	0	0	108.2	N495	N495-V497 PolarHBondContact O-N 3.47Å
498	R	20.8	Very low	22.6	Very low	221 Å²	221	157.4 Å²	157.4	83%	0.834	80%	0.801	S	S	*	*			trans	-93.7	106.9	-176	175.2	-176.9	-176.4	160.6	1.6	107.2
499	E	25.3	Very low	22.5	Very low	181 Å²	181	154.2 Å²	154.2	85%	0.846	79%	0.794	S	S	*	*			trans	-89.5	121.9	164.9	-81.7	-175.4	166.4	0	0	109.9
500	T	18.7	Very low	22.5	Very low	100 Å²	100	154.4 Å²	154.4	61%	0.613	80%	0.795	S	S	*	*			trans	-108.6	115.4	177.4	-58.1	0	0	0	0	106.3
501	I	24.5	Very low	22.6	Very low	162 Å²	162	151.8 Å²	151.8	83%	0.831	79%	0.79	S	S	*	*			trans	-130.5	123.2	164.2	-62.1	-178.3	0	0	0	109
502	V	17.6	Very low	22.4	Very low	102 Å²	102	157.7 Å²	157.7	62%	0.618	80%	0.799	S	S	*	*			trans	-88.1	153.4	-179.7	168.8	0	0	0	0	109.4
503	H	22.9	Very low	22.4	Very low	174 Å²	174	156.3 Å²	156.3	81%	0.806	80%	0.796	S	S	*	*			trans	150.8	154.9	142.5	-74.3	-52.8	0	0	0	111.6
504	P	30.6	Very low	22.1	Very low	119 Å²	119	156.8 Å²	156.8	77%	0.773	80%	0.8	S	S	*	*				-130.8	170.4	-62.8	33.9	-14.7	0	0	0	114.3
505	K	18.3	Very low	22	Very low	196 Å²	196	159.4 Å²	159.4	85%	0.852	81%	0.808	S	S	*	*			trans	-40.9	133.5	175.3	-59.8	168.9	-176.7	179.7	0	116.1
506	K	22.4	Very low	21.7	Very low	214 Å²	214	160.5 Å²	160.5	93%	0.93	81%	0.808	S	S	*	*			trans	-140.3	120.2	134.3	-107.2	-179.1	-178.8	-179.4	0	109.7
507	Q	19.7	Very low	21.8	Very low	164 Å²	164	159.2 Å²	159.2	77%	0.766	81%	0.809	S	S	*	*			trans	-70.8	139.1	175	-74.5	161.9	-25.3	0	0	110.2
508	L	21.8	Very low	21.6	Very low	174 Å²	174	158.3 Å²	158.3	91%	0.911	81%	0.808	S	S	*	*			trans	-140.8	111.3	139.1	-153	72.9	0	0	0	107.5
509	N	17.5	Very low	21.7	Very low	139 Å²	139	152.7 Å²	152.7	74%	0.743	80%	0.803	S	S	*	*			trans	-85.2	133.1	171.6	-76.8	-14.4	0	0	0	108.5
510	T	21.2	Very low	21.8	Very low	132 Å²	132	150.5 Å²	150.5	81%	0.81	80%	0.801	S	S	*	*			trans	-153.8	103.7	136.3	45.1	0	0	0	0	108.9
511	S	21.5	Very low	22	Very low	107 Å²	107	150.1 Å²	150.1	75%	0.748	80%	0.799	S	S	*	*			trans	25.6	124.3	143.3	46.4	0	0	0	0	120.9
512	E	20.2	Very low	22.1	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	80%	0.8	S	S	*	*			trans	-40.6	126.7	155.4	-63.4	163.8	155.8	0	0	114.2
513	T	19.9	Very low	22.3	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	81%	0.805	S	S	*	*			trans	-146.5	119.4	137.9	30.2	0	0	0	0	109	E515	T513-E515 PolarHBondContact O-N 2.88Å
514	T	20.3	Very low	22.4	Very low	137 Å²	137	150.5 Å²	150.5	84%	0.84	80%	0.803	S	S	*	*			trans	-67	111.8	168	42.6	0	0	0	0	109.7
515	E	22	Very low	22.4	Very low	185 Å²	185	152 Å²	152	86%	0.864	80%	0.804	S	S	*	*			trans	-106.1	124.3	169.5	-79.7	-169.7	167	0	0	111.7	T513	T513-E515 PolarHBondContact O-N 2.88Å
516	H	22.2	Very low	22.6	Very low	177 Å²	177	151.4 Å²	151.4	82%	0.819	80%	0.802	S	S	*	*			trans	-65.1	138.4	178.6	-85.2	-93	0	0	0	111.9	S518	H516-S518 PolarHBondContact O-N 2.68Å; H516-S518 VanDerWaalsContact O-N 3.16Å
517	K	25.3	Very low	22.8	Very low	212 Å²	212	147.6 Å²	147.6	92%	0.922	79%	0.791	S	S	*	*			trans	-54.8	114.1	164.2	-72	176.2	175.3	177.4	0	109.6
518	S	21.7	Very low	23.4	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	79%	0.791	S	S	*	*			trans	-75.1	121.1	170.9	47.8	0	0	0	0	110.3	H516	H516-S518 PolarHBondContact O-N 2.68Å; H516-S518 VanDerWaalsContact O-N 3.16Å
519	S	21.3	Very low	23.7	Very low	103 Å²	103	143 Å²	143	72%	0.72	79%	0.786	S	S	*	*			trans	-66.6	125.8	161.2	52.4	0	0	0	0	109.9
520	V	27.7	Very low	24.2	Very low	134 Å²	134	141.7 Å²	141.7	81%	0.812	79%	0.788	S	S	*	*			trans	-91.6	113.3	159.6	175.6	0	0	0	0	107.2
521	V	22.5	Very low	24.4	Very low	92 Å²	92	140.1 Å²	140.1	56%	0.558	78%	0.782	S	S	*	*			trans	-75.6	128.5	172	175.9	0	0	0	0	108.1	D523	V521-D523 WeakPolarHBondContact CG1-OD2 3.43Å
522	N	27.7	Very low	24.4	Very low	163 Å²	163	140.4 Å²	140.4	87%	0.872	78%	0.784	S	S	*	*			trans	-130.9	107.4	151.7	-91.4	-18.3	0	0	0	106.6
523	D	22.4	Very low	24.7	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	78%	0.781	S	S	*	*			trans	-83.7	166.9	176.7	-82.2	-44.8	0	0	0	112.1	V521	V521-D523 WeakPolarHBondContact CG1-OD2 3.43Å
524	I	25	Very low	24.8	Very low	148 Å²	148	136.8 Å²	136.8	76%	0.759	78%	0.782	S	S	*	*			trans	100.2	123	145.6	-32	-176.1	0	0	0	119.3
525	L	29.7	Very low	25.1	Very low	152 Å²	152	134.3 Å²	134.3	80%	0.796	78%	0.776	S	S	*	*			trans	95.5	105.5	157.3	-72.4	119.2	0	0	0	117.3
526	K	22.9	Very low	25.3	Very low	183 Å²	183	131.3 Å²	131.3	80%	0.796	77%	0.77	S	S	*	*				54.3	126.2	68	-78	-166.6	174.2	-175.7	0	112.4
527	D	25.7	Very low	25.4	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	77%	0.767	S	S	*	*			cis	-158.1	-156.3	19.2	-78	-44.8	0	0	0	107.9
528	P	31.9	Very low	25.5	Very low	117 Å²	117	129.4 Å²	129.4	76%	0.76	77%	0.767	S	S	*	*				-120.9	-176.2	-80.7	39.9	-23	0	0	0	113.7
529	P	30	Very low	25.7	Very low	125 Å²	125	132.2 Å²	132.2	81%	0.812	77%	0.767	S	S	*	*			trans	-106.4	151.5	-168.2	38	-28.1	0	0	0	115.2
530	S	26.8	Very low	26	Very low	110 Å²	110	133.2 Å²	133.2	77%	0.769	77%	0.765	S	S	*	*			trans	-156.1	104	158.2	53.2	0	0	0	0	108.9
531	S	25.6	Very low	25.9	Very low	100 Å²	100	133 Å²	133	70%	0.699	76%	0.759	S	S	*	*				62.3	98.1	101	70.1	0	0	0	0	115.4
532	S	20.7	Very low	26.2	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	77%	0.772	S	S	*	*			trans	16.3	135.7	135.9	55.2	0	0	0	0	119
533	P	28.4	Very low	26.2	Very low	128 Å²	128	135.5 Å²	135.5	83%	0.831	77%	0.769	S	S	*	*				-134.2	145.1	112.7	32.3	-18.7	0	0	0	114.3
534	S	20.9	Very low	26.5	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	78%	0.78	S	S	*	*			trans	-67.3	148.7	167.4	43.4	0	0	0	0	113.6
535	A	27	Very low	26.6	Very low	86 Å²	86	137.7 Å²	137.7	71%	0.711	78%	0.78	S	S	*	*			trans	131.9	125	133	0	0	0	0	0	115.4
536	T	25.5	Very low	26.5	Very low	122 Å²	122	140.2 Å²	140.2	75%	0.748	79%	0.785	S	S	*	*			trans	74.8	110.2	148.1	53.8	0	0	0	0	120.2
537	D	23.8	Very low	26.7	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	78%	0.784	S	S	*	*				48	112.8	126.6	-58.2	-22.1	0	0	0	117.9
538	F	28.6	Very low	26.8	Very low	211 Å²	211	137 Å²	137	93%	0.925	79%	0.785	S	S	*	*				-171.4	147.3	106.9	-103.5	-78.5	0	0	0	110.3
539	H	25.4	Very low	26.7	Very low	168 Å²	168	138.2 Å²	138.2	78%	0.778	78%	0.784	S	S	*	*			trans	-61.3	157.2	-175.8	-98	-93.6	0	0	0	115.3
540	D	27.6	Very low	26.5	Very low	125 Å²	125	136.1 Å²	136.1	67%	0.668	77%	0.772	S	S	*	*			trans	91.5	115.7	145.2	-80.3	8.1	0	0	0	121.5
541	N	26.3	Very low	26.8	Very low	130 Å²	130	136.9 Å²	136.9	70%	0.695	77%	0.774	S	S	*	*			trans	67.2	89.7	133.9	-64.2	-30.4	0	0	0	117.5
542	N	28.4	Very low	27.1	Very low	156 Å²	156	139.8 Å²	139.8	83%	0.834	78%	0.781	S	S	*	*				-163.3	116	112.7	-103.8	-37.3	0	0	0	113.5	K544	N542-K544 PolarHBondContact O-N 2.81Å
543	N	27.2	Very low	27.8	Very low	151 Å²	151	144 Å²	144	81%	0.807	79%	0.786	S	S	*	*			trans	-9.7	114.2	142.7	-77.2	-30.6	0	0	0	115.3
544	K	28.8	Very low	28.1	Very low	218 Å²	218	148.7 Å²	148.7	95%	0.948	79%	0.787	S	S	*	*			trans	173.9	64.4	137.9	-95.8	164.8	-174.8	179.2	0	110.2	N542	N542-K544 PolarHBondContact O-N 2.81Å
545	S	26.7	Very low	29.1	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	79%	0.789	S	S	*	*			trans	-115.1	100	164.4	53.5	0	0	0	0	108.9	V547	S545-V547 PolarHBondContact O-N 2.93Å
546	K	27.3	Very low	29.7	Very low	205 Å²	205	152.8 Å²	152.8	89%	0.891	78%	0.781	S	S	*	*			trans	-18.7	102.8	159.7	-80.8	169	168.8	173.4	0	111.2	V548	K546-V548 PolarHBondContact O-N 3.26Å
547	V	28.5	Very low	30.8	Very low	127 Å²	127	148 Å²	148	77%	0.77	75%	0.753	S	S	*	*			trans	-62.3	106.6	165.8	175.7	0	0	0	0	106	S545 I549	S545-V547 PolarHBondContact O-N 2.93Å; V547-I549 HydrophobicContact CG1-CG1 4.25Å; V547-I549 PolarHBondContact O-N 2.99Å
548	V	28	Very low	32.4	Very low	122 Å²	122	142.7 Å²	142.7	74%	0.739	73%	0.729	S	S	*	*			trans	-64.4	93.9	164.4	176.2	0	0	0	0	105.3	K546 S550	K546-V548 PolarHBondContact O-N 3.26Å; V548-S550 PolarHBondContact O-N 3.38Å
549	I	29.7	Very low	33.8	Very low	144 Å²	144	138.6 Å²	138.6	74%	0.738	71%	0.708	S	S	*	*			trans	-63.8	95.3	170.3	-58.6	174.7	0	0	0	105.6	V547	V547-I549 HydrophobicContact CG1-CG1 4.25Å; V547-I549 PolarHBondContact O-N 2.99Å
550	S	26.4	Very low	35.3	Very low	81 Å²	81	133.7 Å²	133.7	57%	0.566	68%	0.682	S	S	*	*			trans	-58.9	127.3	162.3	-52.7	0	0	0	0	105.7	V548 L552	V548-S550 PolarHBondContact O-N 3.38Å; S550-L552 VanDerWaalsContact C-N 3.26Å; S550-L552 PolarHBondContact O-N 3.46Å
551	P	32.7	Very low	37.2	Very low	125 Å²	125	128.9 Å²	128.9	81%	0.812	66%	0.658	S	S	*	*			trans	-66.5	95.8	176.7	-2.2	14.8	0	0	0	106.8	K553	P551-K553 PolarHBondContact O-N 3.36Å
552	L	31.4	Very low	39.1	Very low	162 Å²	162	126.3 Å²	126.3	85%	0.848	64%	0.638	S	S	*	*			trans	-53.9	108.9	167.8	-82.3	145.1	0	0	0	105.7	S550 R554	S550-L552 VanDerWaalsContact C-N 3.26Å; S550-L552 PolarHBondContact O-N 3.46Å; L552-R554 PolarHBondContact O-N 3.47Å
553	K	35.2	Very low	41.4	Very low	201 Å²	201	119.3 Å²	119.3	87%	0.874	60%	0.601	S	S	*	*			trans	-48	105.3	172.2	-85.5	175.7	169.9	178.1	0	107.6	P551 Q555	P551-K553 PolarHBondContact O-N 3.36Å; K553-Q555 PolarHBondContact O-N 2.9Å
554	R	34.8	Very low	43.6	Very low	226 Å²	226	114.3 Å²	114.3	85%	0.853	57%	0.571	S	S	*	*			trans	-49.5	115.3	170.8	-68	-177.9	177.3	-158.8	-3.3	107	L552 N556	L552-R554 PolarHBondContact O-N 3.47Å; R554-N556 PolarHBondContact O-N 3.33Å
555	Q	41.5	Very low	45.7	Very low	181 Å²	181	105.2 Å²	105.2	85%	0.846	53%	0.533	S	S	*	.			trans	-69.4	112.3	169	-72.9	-173.3	-21.2	0	0	105.8	K553 S557	K553-Q555 PolarHBondContact O-N 2.9Å; Q555-S557 PolarHBondContact O-N 3.06Å
556	N	40.5	Very low	48.2	Very low	105 Å²	105	100.3 Å²	100.3	56%	0.561	50%	0.498	S	S	*	.			trans	-52	114.3	176.2	-68.9	-2.7	0	0	0	108.4	R554	R554-N556 PolarHBondContact O-N 3.33Å
557	S	48.7	Very low	50.5	Low	22 Å²	22	97.1 Å²	97.1	15%	0.154	48%	0.481	C	S	.	.			trans	-61.8	139.4	168.6	58.6	0	0	0	0	107.7	F321 Q555 Y559	F321-S557 VanDerWaalsContact O-CB 3.29Å; F321-S557 WeakPolarHBondContact O-CB 3.48Å; F321-S557 PolarHBondContact O-OG 2.97Å; Q555-S557 PolarHBondContact O-N 3.06Å; S557-Y559 PolarHBondContact O-N 2.78Å; S557-Y559 PolarHBondContact OG-O 3.46Å
558	A	56.2	Low	53	Low	27 Å²	27	91.8 Å²	91.8	22%	0.223	45%	0.447	C	S	.	.	S	Bend	trans	-70.2	6	-178.1	0	0	0	0	0	112.4	N584 T585	A558-N584 CarbonylContact O-C 3.51Å; A558-N584 VanDerWaalsContact O-C 3.24Å; A558-N584 WeakPolarHBondContact O-CA 3.29Å; A558-N584 WeakPolarHBondContact O-CB 3.41Å; A558-N584 PolarHBondContact O-OD1 3.17Å; A558-T585 PolarHBondContact O-N 2.89Å
559	Y	58.4	Low	55.2	Low	124 Å²	124	90 Å²	90	49%	0.486	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.5	-177.7	-62.1	-87.7	0	0	0	110.7	F321 S557 I582 V583 N584	F321-Y559 WeakPolarHBondContact CB-O 3.44Å; F321-Y559 PolarHBondContact N-O 3Å; F321-Y559 VanDerWaalsContact N-O 3.13Å; S557-Y559 PolarHBondContact O-N 2.78Å; S557-Y559 PolarHBondContact OG-O 3.46Å; Y559-I582 HydrophobicContact CD1-CG2 3.91Å; Y559-I582 HydrophobicContact CG-CG2 4.28Å; Y559-V583 CarbonylContact C-O 3.55Å; Y559-N584 HydrophobicContact CD1-CB 3.98Å; Y559-N584 HydrophobicContact CE1-CB 4.03Å
560	R	58	Low	57.4	Low	65 Å²	65	83.4 Å²	83.4	25%	0.245	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.7	-175.9	-172.3	97.6	-161	-175.5	18.6	108	V318 E319 D320 V583 T585	V318-R560 HydrophobicContact CB-CG 4.48Å; V318-R560 HydrophobicContact CG1-CB 4.46Å; V318-R560 HydrophobicContact CG1-CG 3.2Å; V318-R560 PolarHBondContact O-NE 2.91Å; V318-R560 PolarHBondContact O-NH2 3.33Å; E319-R560 VanDerWaalsContact CA-NH2 3.29Å; E319-R560 VanDerWaalsContact N-NE 3.18Å; E319-R560 CarbonylContact O-C 3.54Å; E319-R560 VanDerWaalsContact O-CA 3.24Å; E319-R560 WeakPolarHBondContact O-CA 3.44Å; E319-R560 WeakPolarHBondContact O-CD 3.43Å; E319-R560 WeakPolarHBondContact O-CG 3.4Å; E319-R560 PolarHBondContact O-NE 3.27Å; E319-R560 VanDerWaalsContact O-NE 3.17Å; D320-R560 WeakPolarHBondContact OD1-CD 3.46Å; D320-R560 IonicContact OD1-CZ 2.87Å; D320-R560 VanDerWaalsContact OD1-CZ 3.3Å; D320-R560 IonicContact OD1-NE 2.69Å; D320-R560 IonicContact OD1-NH1 2.98Å; D320-R560 PolarHBondContact OD1-NH1 3.28Å; D320-R560 IonicContact OD2-CZ 2.99Å; D320-R560 IonicContact OD2-NH1 3.11Å; D320-R560 PolarHBondContact OD2-NH1 3.39Å; D320-R560 IonicContact OD2-NH2 2.69Å; R560-V583 WeakPolarHBondContact CA-O 3.34Å; R560-V583 PolarHBondContact N-O 3.19Å; R560-V583 WeakPolarHBondContact O-CA 3.31Å; R560-V583 PolarHBondContact O-N 2.95Å; R560-T585 HydrophobicContact CB-CG2 3.57Å; R560-T585 WeakPolarHBondContact CB-OG1 3.34Å; R560-T585 HydrophobicContact CG-CG2 4.18Å
561	T	66.5	Low	59.9	Low	24 Å²	24	84.9 Å²	84.9	15%	0.147	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.9	179.9	-59.8	0	0	0	0	109	V318 E319 K580 R581	V318-T561 CarbonylContact C-O 3.57Å; V318-T561 WeakPolarHBondContact CA-O 3.25Å; E319-T561 PolarHBondContact N-O 2.62Å; E319-T561 PolarHBondContact O-N 2.94Å; T561-K580 HydrophobicContact CG2-CB 3.75Å; T561-K580 HydrophobicContact CG2-CD 4.14Å; T561-K580 HydrophobicContact CG2-CG 4.02Å; T561-R581 CarbonylContact C-O 3.58Å
562	R	66.1	Low	61.9	Low	76 Å²	76	82.1 Å²	82.1	29%	0.287	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.8	169.7	-174.6	-174.5	-171.6	-168.8	4.8	108.2	E316 V318 K580 R581 V583	E316-R562 VanDerWaalsContact CD-CZ 3.49Å; E316-R562 HydrophobicContact CG-CG 4.13Å; E316-R562 IonicContact OE1-CZ 2.78Å; E316-R562 IonicContact OE1-NE 3.99Å; E316-R562 PolarHBondContact OE1-NE 3.47Å; E316-R562 IonicContact OE1-NH2 3.99Å; E316-R562 PolarHBondContact OE1-NH2 3.49Å; E316-R562 IonicContact OE2-CZ 3.8Å; E316-R562 IonicContact OE2-NE 3.76Å; E316-R562 IonicContact OE2-NH2 3.34Å; E316-R562 PolarHBondContact OE2-NH2 2.92Å; V318-R562 HydrophobicContact CG2-CG 4.24Å; R562-K580 CarbonylContact O-C 3.59Å; R562-K580 WeakPolarHBondContact O-CA 3.45Å; R562-R581 PolarHBondContact N-O 2.93Å; R562-R581 PolarHBondContact O-N 3.26Å; R562-V583 HydrophobicContact CB-CG2 4.2Å
563	T	76.4	Confident	64.1	Low	9 Å²	9	79.2 Å²	79.2	6%	0.055	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115	-176.8	-59.5	0	0	0	0	108.1	E316 T317 T578 S579 K580	E316-T563 WeakPolarHBondContact CA-O 3.44Å; T317-T563 PolarHBondContact N-O 3.35Å; T317-T563 PolarHBondContact O-N 3.3Å; T317-T563 WeakPolarHBondContact OG1-CB 3.41Å; T563-T578 HydrophobicContact CG2-CG2 3.15Å; T563-S579 CarbonylContact C-O 3.52Å; T563-S579 WeakPolarHBondContact CA-O 3.37Å; T563-K580 HydrophobicContact CG2-CG 4.16Å
564	R	74.5	Confident	66.2	Low	47 Å²	47	73.9 Å²	73.9	18%	0.177	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.3	172.6	-72	-175.4	-177.5	136.1	-22.9	108.8	E124 I314 I315 E316 T578 S579	E124-R564 IonicContact OE1-CZ 3.95Å; E124-R564 IonicContact OE1-NH1 2.81Å; E124-R564 PolarHBondContact OE1-NH1 2.87Å; E124-R564 IonicContact OE1-NH2 2.68Å; E124-R564 PolarHBondContact OE1-NH2 3.44Å; E124-R564 IonicContact OE2-CZ 3.86Å; E124-R564 IonicContact OE2-NH1 3.96Å; E124-R564 PolarHBondContact OE2-NH1 3.02Å; I314-R564 HydrophobicContact CG2-CB 4.18Å; I314-R564 HydrophobicContact CG2-CG 4.15Å; I315-R564 CarbonylContact O-C 3.58Å; I315-R564 WeakPolarHBondContact O-CA 3.44Å; E316-R564 HydrophobicContact CG-CG 4.32Å; R564-T578 CarbonylContact O-C 3.59Å; R564-T578 WeakPolarHBondContact O-CA 3.22Å; R564-S579 PolarHBondContact N-O 3.34Å; R564-S579 PolarHBondContact O-N 3.16Å
565	T	73.4	Confident	68.2	Low	26 Å²	26	64.7 Å²	64.7	16%	0.16	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.5	177.3	-62.6	0	0	0	0	109.2	I315 R567 T576 T577 T578	I315-T565 PolarHBondContact N-O 2.85Å; I315-T565 PolarHBondContact O-N 3.42Å; T565-R567 HydrophobicContact CG2-CG 4.37Å; T565-T576 HydrophobicContact CG2-CG2 3.19Å; T565-T577 CarbonylContact C-O 3.57Å; T565-T577 WeakPolarHBondContact CA-O 3.3Å; T565-T578 PolarHBondContact OG1-OG1 2.75Å; T565-T578 VanDerWaalsContact OG1-OG1 3.04Å
566	R	78.9	Confident	69.9	Low	8 Å²	8	59.1 Å²	59.1	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.9	175	-69.4	-175.4	-172.7	94.1	-5.6	108.9	L123 E309 A312 D313 I314 T576 T577 S579	L123-R566 PolarHBondContact O-NH2 3.47Å; L123-R566 VanDerWaalsContact O-NH2 3.1Å; E309-R566 WeakPolarHBondContact O-CD 3.38Å; E309-R566 IonicContact OE1-NH1 3.14Å; A312-R566 HydrophobicContact CB-CB 3.72Å; A312-R566 HydrophobicContact CB-CG 4.27Å; D313-R566 WeakPolarHBondContact O-CA 3.47Å; I314-R566 HydrophobicContact CG1-CG 4.2Å; R566-T576 CarbonylContact O-C 3.19Å; R566-T576 VanDerWaalsContact O-CA 3.32Å; R566-T576 WeakPolarHBondContact O-CA 3.21Å; R566-T577 PolarHBondContact N-O 2.93Å; R566-T577 PolarHBondContact O-N 3.14Å; R566-S579 PolarHBondContact NH1-OG 2.91Å
567	R	74.2	Confident	71.6	Confident	138 Å²	138	55.3 Å²	55.3	52%	0.521	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.9	174	-63.6	-169.1	-61.9	-169.7	4.3	109.9	D313 I315 T565 I575 T576	D313-R567 PolarHBondContact N-O 3.03Å; D313-R567 PolarHBondContact O-N 3.1Å; I315-R567 VanDerWaalsContact CD1-NE 3.33Å; I315-R567 VanDerWaalsContact CD1-NH2 3.32Å; T565-R567 HydrophobicContact CG2-CG 4.37Å; R567-I575 WeakPolarHBondContact CA-O 3.19Å; R567-T576 HydrophobicContact CG-CG2 3.96Å
568	F	80.9	Confident	72.8	Confident	14 Å²	14	57.6 Å²	57.6	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.9	179.9	52.1	-84.6	0	0	0	110.2	I305 C308 E309 A312 I570 T574 I575	I305-F568 HydrophobicContact CG2-CE2 4.33Å; C308-F568 HydrophobicContact CB-CB 4.15Å; C308-F568 HydrophobicContact CB-CD2 3.41Å; C308-F568 VanDerWaalsContact CB-CD2 3.41Å; C308-F568 HydrophobicContact CB-CE2 4.04Å; C308-F568 HydrophobicContact CB-CG 4Å; C308-F568 WeakPolarHBondContact O-CB 3.5Å; E309-F568 HydrophobicContact CB-CD1 4.45Å; E309-F568 HydrophobicContact CB-CE1 3.85Å; E309-F568 HydrophobicContact CB-CZ 3.91Å; E309-F568 HydrophobicContact CG-CE1 3.87Å; E309-F568 HydrophobicContact CG-CZ 4.26Å; A312-F568 HydrophobicContact CB-CB 3.83Å; A312-F568 HydrophobicContact CB-CD1 3.58Å; A312-F568 HydrophobicContact CB-CG 4.11Å; F568-I570 HydrophobicContact CD2-CD1 3.89Å; F568-I570 HydrophobicContact CD2-CG1 3.89Å; F568-I570 HydrophobicContact CE2-CD1 3.67Å; F568-I570 HydrophobicContact CE2-CG1 4.17Å; F568-T574 CarbonylContact O-C 3.54Å; F568-T574 WeakPolarHBondContact O-CA 3.42Å; F568-I575 HydrophobicContact CD2-CB 4.08Å; F568-I575 HydrophobicContact CE1-CG2 4.27Å; F568-I575 HydrophobicContact CE2-CB 3.65Å; F568-I575 HydrophobicContact CE2-CD1 4.17Å; F568-I575 HydrophobicContact CE2-CG1 4.38Å; F568-I575 HydrophobicContact CE2-CG2 3.8Å; F568-I575 HydrophobicContact CZ-CB 3.9Å; F568-I575 HydrophobicContact CZ-CG2 3.58Å; F568-I575 PolarHBondContact N-O 3.37Å; F568-I575 PolarHBondContact O-N 3.19Å; F568-I575 VanDerWaalsContact O-O 3.13Å
569	V	74.6	Confident	73.5	Confident	84 Å²	84	57.5 Å²	57.5	51%	0.509	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.3	-177.1	-179.3	0	0	0	0	109.5	Q573	V569-Q573 CarbonylContact C-O 3.56Å; V569-Q573 WeakPolarHBondContact CA-O 3.33Å
570	I	76.6	Confident	73.9	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.2	174.6	-58.6	-171.5	0	0	0	107.9	I305 C308 F568 G572 Q573 I575	I305-I570 VanDerWaalsContact CA-CD1 3.5Å; I305-I570 HydrophobicContact CB-CD1 3.88Å; I305-I570 HydrophobicContact CG1-CD1 3.38Å; I305-I570 HydrophobicContact CG2-CD1 4.27Å; C308-I570 HydrophobicContact CB-CD1 3.97Å; C308-I570 HydrophobicContact CB-CG1 4Å; F568-I570 HydrophobicContact CD2-CD1 3.89Å; F568-I570 HydrophobicContact CD2-CG1 3.89Å; F568-I570 HydrophobicContact CE2-CD1 3.67Å; F568-I570 HydrophobicContact CE2-CG1 4.17Å; I570-G572 PolarHBondContact O-N 3.01Å; I570-G572 VanDerWaalsContact O-N 3.08Å; I570-Q573 PolarHBondContact N-O 3Å; I570-Q573 WeakPolarHBondContact O-CA 3.45Å; I570-Q573 WeakPolarHBondContact O-CB 3.44Å; I570-Q573 PolarHBondContact O-N 3.04Å; I570-I575 HydrophobicContact CB-CD1 4.23Å; I570-I575 HydrophobicContact CD1-CD1 3.78Å; I570-I575 HydrophobicContact CG1-CD1 4.16Å
571	D	78.8	Confident	74.2	Confident	112 Å²	112	61.6 Å²	61.6	60%	0.599	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.9	-178.5	-49.7	-25.8	0	0	0	113.1	K301 Q304 Q573	K301-D571 WeakPolarHBondContact CE-OD2 3.46Å; K301-D571 IonicContact NZ-OD2 3.3Å; K301-D571 PolarHBondContact NZ-OD2 3.49Å; Q304-D571 PolarHBondContact NE2-OD1 3.03Å; D571-Q573 VanDerWaalsContact C-N 3.28Å; D571-Q573 PolarHBondContact O-N 3.41Å
572	G	75.4	Confident	73.9	Confident	68 Å²	68	65 Å²	65	70%	0.701	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-8.8	-175.9	0	0	0	0	0	115.5	I570	I570-G572 PolarHBondContact O-N 3.01Å; I570-G572 VanDerWaalsContact O-N 3.08Å
573	Q	75.9	Confident	73.3	Confident	101 Å²	101	63.7 Å²	63.7	47%	0.472	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.2	176.5	-166.4	174.6	30	0	0	110.9	V569 I570 D571 I575	V569-Q573 CarbonylContact C-O 3.56Å; V569-Q573 WeakPolarHBondContact CA-O 3.33Å; I570-Q573 PolarHBondContact N-O 3Å; I570-Q573 WeakPolarHBondContact O-CA 3.45Å; I570-Q573 WeakPolarHBondContact O-CB 3.44Å; I570-Q573 PolarHBondContact O-N 3.04Å; D571-Q573 VanDerWaalsContact C-N 3.28Å; D571-Q573 PolarHBondContact O-N 3.41Å; Q573-I575 PolarHBondContact O-N 3.24Å
574	T	78.9	Confident	71.9	Confident	89 Å²	89	65.7 Å²	65.7	55%	0.546	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.8	175.6	-56.2	0	0	0	0	110.1	F568	F568-T574 CarbonylContact O-C 3.54Å; F568-T574 WeakPolarHBondContact O-CA 3.42Å
575	I	77.1	Confident	70.7	Confident	33 Å²	33	65.4 Å²	65.4	17%	0.169	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.7	172.6	-56.3	-174.2	0	0	0	108.5	R567 F568 I570 Q573	R567-I575 WeakPolarHBondContact CA-O 3.19Å; F568-I575 HydrophobicContact CD2-CB 4.08Å; F568-I575 HydrophobicContact CE1-CG2 4.27Å; F568-I575 HydrophobicContact CE2-CB 3.65Å; F568-I575 HydrophobicContact CE2-CD1 4.17Å; F568-I575 HydrophobicContact CE2-CG1 4.38Å; F568-I575 HydrophobicContact CE2-CG2 3.8Å; F568-I575 HydrophobicContact CZ-CB 3.9Å; F568-I575 HydrophobicContact CZ-CG2 3.58Å; F568-I575 PolarHBondContact N-O 3.37Å; F568-I575 PolarHBondContact O-N 3.19Å; F568-I575 VanDerWaalsContact O-O 3.13Å; I570-I575 HydrophobicContact CB-CD1 4.23Å; I570-I575 HydrophobicContact CD1-CD1 3.78Å; I570-I575 HydrophobicContact CG1-CD1 4.16Å; Q573-I575 PolarHBondContact O-N 3.24Å
576	T	77.7	Confident	69.3	Low	64 Å²	64	67.4 Å²	67.4	39%	0.393	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.1	177.7	-58.8	0	0	0	0	109.2	T565 R566 R567	T565-T576 HydrophobicContact CG2-CG2 3.19Å; R566-T576 CarbonylContact O-C 3.19Å; R566-T576 VanDerWaalsContact O-CA 3.32Å; R566-T576 WeakPolarHBondContact O-CA 3.21Å; R567-T576 HydrophobicContact CG-CG2 3.96Å
577	T	75.5	Confident	68	Low	24 Å²	24	73.6 Å²	73.6	15%	0.147	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127	176.7	-52.5	0	0	0	0	109.4	E309 T565 R566	E309-T577 WeakPolarHBondContact OE1-CG2 3.09Å; T565-T577 CarbonylContact C-O 3.57Å; T565-T577 WeakPolarHBondContact CA-O 3.3Å; R566-T577 PolarHBondContact N-O 2.93Å; R566-T577 PolarHBondContact O-N 3.14Å
578	T	75.2	Confident	66.8	Low	70 Å²	70	74.3 Å²	74.3	43%	0.429	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.5	-177	-63.6	0	0	0	0	110.4	T563 R564 T565	T563-T578 HydrophobicContact CG2-CG2 3.15Å; R564-T578 CarbonylContact O-C 3.59Å; R564-T578 WeakPolarHBondContact O-CA 3.22Å; T565-T578 PolarHBondContact OG1-OG1 2.75Å; T565-T578 VanDerWaalsContact OG1-OG1 3.04Å
579	S	70.9	Confident	65.5	Low	26 Å²	26	76.3 Å²	76.3	18%	0.182	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.6	173.9	-52.7	0	0	0	0	109.7	T563 R564 R566	T563-S579 CarbonylContact C-O 3.52Å; T563-S579 WeakPolarHBondContact CA-O 3.37Å; R564-S579 PolarHBondContact N-O 3.34Å; R564-S579 PolarHBondContact O-N 3.16Å; R566-S579 PolarHBondContact NH1-OG 2.91Å
580	K	66.6	Low	64.6	Low	117 Å²	117	78 Å²	78	51%	0.509	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143	178.6	-67.5	-179	-178.8	174.1	0	111	T561 R562 T563	T561-K580 HydrophobicContact CG2-CB 3.75Å; T561-K580 HydrophobicContact CG2-CD 4.14Å; T561-K580 HydrophobicContact CG2-CG 4.02Å; R562-K580 CarbonylContact O-C 3.59Å; R562-K580 WeakPolarHBondContact O-CA 3.45Å; T563-K580 HydrophobicContact CG2-CG 4.16Å
581	R	64.2	Low	64	Low	157 Å²	157	84.1 Å²	84.1	59%	0.592	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.3	171.9	-174.2	177	-177.5	177.1	2	110.8	T561 R562	T561-R581 CarbonylContact C-O 3.58Å; R562-R581 PolarHBondContact N-O 2.93Å; R562-R581 PolarHBondContact O-N 3.26Å
582	I	60.5	Low	63.2	Low	97 Å²	97	81.5 Å²	81.5	50%	0.497	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.4	178.5	-56.1	172.6	0	0	0	110.8	Y559	Y559-I582 HydrophobicContact CD1-CG2 3.91Å; Y559-I582 HydrophobicContact CG-CG2 4.28Å
583	V	52.7	Low	62.6	Low	48 Å²	48	82 Å²	82	29%	0.291	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.9	-176.3	-177.9	0	0	0	0	110.4	Y559 R560 R562	Y559-V583 CarbonylContact C-O 3.55Å; R560-V583 WeakPolarHBondContact CA-O 3.34Å; R560-V583 PolarHBondContact N-O 3.19Å; R560-V583 WeakPolarHBondContact O-CA 3.31Å; R560-V583 PolarHBondContact O-N 2.95Å; R562-V583 HydrophobicContact CB-CG2 4.2Å
584	N	47.4	Very low	62.4	Low	50 Å²	50	81.6 Å²	81.6	27%	0.267	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.3	-179.1	-175.4	-41.2	0	0	0	112.9	A558 Y559 R593	A558-N584 CarbonylContact O-C 3.51Å; A558-N584 VanDerWaalsContact O-C 3.24Å; A558-N584 WeakPolarHBondContact O-CA 3.29Å; A558-N584 WeakPolarHBondContact O-CB 3.41Å; A558-N584 PolarHBondContact O-OD1 3.17Å; Y559-N584 HydrophobicContact CD1-CB 3.98Å; Y559-N584 HydrophobicContact CE1-CB 4.03Å; N584-R593 PolarHBondContact O-NH1 2.99Å; N584-R593 PolarHBondContact O-NH2 3.35Å
585	T	49.6	Very low	62.1	Low	42 Å²	42	80.8 Å²	80.8	26%	0.258	40%	0.395	S	S	.	.			trans	-140.2	65.1	-177.8	59.5	0	0	0	0	115.3	A558 R560	A558-T585 PolarHBondContact O-N 2.89Å; R560-T585 HydrophobicContact CB-CG2 3.57Å; R560-T585 WeakPolarHBondContact CB-OG1 3.34Å; R560-T585 HydrophobicContact CG-CG2 4.18Å
586	N	44.6	Very low	61.9	Low	68 Å²	68	83.1 Å²	83.1	36%	0.364	41%	0.405	S	S	.	.			trans	-73.6	145.6	155.1	-71.4	-45.5	0	0	0	110.9	E588 D589 K590	N586-E588 VanDerWaalsContact C-N 3.26Å; N586-E588 PolarHBondContact O-N 3.18Å; N586-D589 HydrophobicContact CB-CB 4Å; N586-D589 WeakPolarHBondContact CB-OD2 3.15Å; N586-D589 PolarHBondContact ND2-OD2 3.39Å; N586-D589 CarbonylContact O-C 3.39Å; N586-D589 WeakPolarHBondContact O-CA 3.49Å; N586-D589 WeakPolarHBondContact O-CB 3.36Å; N586-D589 PolarHBondContact O-N 3.28Å; N586-K590 PolarHBondContact O-N 2.97Å
587	L	51.4	Low	61.8	Low	138 Å²	138	85 Å²	85	72%	0.723	41%	0.41	S	S	*	.	H	α-helix	trans	-60.6	-35	174.6	-95.2	147.7	0	0	0	112.4	D589 K590 K591	L587-D589 VanDerWaalsContact C-N 3.35Å; L587-K590 PolarHBondContact O-N 3.32Å; L587-K591 PolarHBondContact O-N 3.1Å
588	E	49.4	Very low	62	Low	153 Å²	153	88.6 Å²	88.6	72%	0.715	43%	0.427	S	S	*	.	H	α-helix	trans	-67.7	-35.1	170.9	-64.9	-62.2	148.9	0	0	111.5	N586 K591 F592	N586-E588 VanDerWaalsContact C-N 3.26Å; N586-E588 PolarHBondContact O-N 3.18Å; E588-K591 PolarHBondContact O-N 3.27Å; E588-F592 WeakPolarHBondContact O-CB 3.4Å; E588-F592 PolarHBondContact O-N 3.31Å
589	D	52.4	Low	62.1	Low	55 Å²	55	89.6 Å²	89.6	29%	0.294	43%	0.426	S	S	.	.	H	α-helix	trans	-74.9	-26.9	176.6	-73.8	-32.7	0	0	0	112.9	N586 L587 F592 R593	N586-D589 HydrophobicContact CB-CB 4Å; N586-D589 WeakPolarHBondContact CB-OD2 3.15Å; N586-D589 PolarHBondContact ND2-OD2 3.39Å; N586-D589 CarbonylContact O-C 3.39Å; N586-D589 WeakPolarHBondContact O-CA 3.49Å; N586-D589 WeakPolarHBondContact O-CB 3.36Å; N586-D589 PolarHBondContact O-N 3.28Å; L587-D589 VanDerWaalsContact C-N 3.35Å; D589-F592 PolarHBondContact O-N 2.92Å; D589-R593 WeakPolarHBondContact O-CB 3.36Å; D589-R593 VanDerWaalsContact O-CG 3.23Å; D589-R593 WeakPolarHBondContact O-CG 3.44Å; D589-R593 PolarHBondContact O-N 3.46Å
590	K	55.6	Low	62.5	Low	120 Å²	120	96.6 Å²	96.6	52%	0.522	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-47.7	172.3	-174.9	176.3	174	179.4	0	110.4	N586 L587 R593 E594	N586-K590 PolarHBondContact O-N 2.97Å; L587-K590 PolarHBondContact O-N 3.32Å; K590-R593 PolarHBondContact O-N 3.4Å; K590-E594 WeakPolarHBondContact CE-OE1 3.36Å; K590-E594 WeakPolarHBondContact O-CB 3.39Å; K590-E594 WeakPolarHBondContact O-CG 3.32Å; K590-E594 PolarHBondContact O-N 3.06Å
591	K	63.5	Low	62.9	Low	134 Å²	134	96.6 Å²	96.6	58%	0.583	45%	0.448	S	S	*	.	H	α-helix	trans	-64.2	-43.3	175.6	-168.6	-179.6	178.4	-174.5	0	111.2	L587 E588 R593 E594 D595	L587-K591 PolarHBondContact O-N 3.1Å; E588-K591 PolarHBondContact O-N 3.27Å; K591-R593 PolarHBondContact O-N 3Å; K591-E594 PolarHBondContact O-N 3.28Å; K591-D595 WeakPolarHBondContact O-CB 3.44Å; K591-D595 VanDerWaalsContact O-CG 3.28Å; K591-D595 PolarHBondContact O-N 2.9Å
592	F	62.5	Low	63.6	Low	58 Å²	58	91.6 Å²	91.6	25%	0.254	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.7	-174	-88.2	0	0	0	112.3	E588 D589 D595 E596 M849 K853	E588-F592 WeakPolarHBondContact O-CB 3.4Å; E588-F592 PolarHBondContact O-N 3.31Å; D589-F592 PolarHBondContact O-N 2.92Å; F592-D595 PolarHBondContact O-N 3.16Å; F592-E596 HydrophobicContact CE1-CB 4.42Å; F592-E596 WeakPolarHBondContact CE1-OE2 3.2Å; F592-E596 VanDerWaalsContact O-CB 3.31Å; F592-E596 WeakPolarHBondContact O-CB 3.26Å; F592-E596 PolarHBondContact O-N 2.97Å; F592-M849 HydrophobicContact CZ-SD 4.27Å; F592-K853 VanDerWaalsContact CE1-NZ 3.26Å; F592-K853 HydrophobicContact CZ-CD 4.37Å
593	R	63.1	Low	64.5	Low	79 Å²	79	87.9 Å²	87.9	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-68.6	-38.6	176.7	-76.4	-169.3	-62	-157.4	-4.7	112.5	N584 D589 K590 K591 E596 Q597	N584-R593 PolarHBondContact O-NH1 2.99Å; N584-R593 PolarHBondContact O-NH2 3.35Å; D589-R593 WeakPolarHBondContact O-CB 3.36Å; D589-R593 VanDerWaalsContact O-CG 3.23Å; D589-R593 WeakPolarHBondContact O-CG 3.44Å; D589-R593 PolarHBondContact O-N 3.46Å; K590-R593 PolarHBondContact O-N 3.4Å; K591-R593 PolarHBondContact O-N 3Å; R593-E596 PolarHBondContact O-N 3.45Å; R593-Q597 VanDerWaalsContact O-CB 3.24Å; R593-Q597 WeakPolarHBondContact O-CB 3.44Å; R593-Q597 WeakPolarHBondContact O-CG 3.27Å; R593-Q597 PolarHBondContact O-N 2.66Å
594	E	71.3	Confident	65.7	Low	91 Å²	91	89.7 Å²	89.7	43%	0.425	43%	0.431	S	S	.	.	H	α-helix	trans	-62.4	-45.6	173.3	-77.8	174.2	-172.7	0	0	110.2	K590 K591 Q597 I598	K590-E594 WeakPolarHBondContact CE-OE1 3.36Å; K590-E594 WeakPolarHBondContact O-CB 3.39Å; K590-E594 WeakPolarHBondContact O-CG 3.32Å; K590-E594 PolarHBondContact O-N 3.06Å; K591-E594 PolarHBondContact O-N 3.28Å; E594-Q597 PolarHBondContact O-N 3.47Å; E594-I598 WeakPolarHBondContact O-CB 3.37Å; E594-I598 WeakPolarHBondContact O-CD1 3.26Å; E594-I598 WeakPolarHBondContact O-CG1 3.35Å; E594-I598 PolarHBondContact O-N 3.2Å
595	D	72.4	Confident	67.4	Low	73 Å²	73	94.3 Å²	94.3	39%	0.39	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175.7	-73	-18.8	0	0	0	111.8	K591 F592 I598 K599	K591-D595 WeakPolarHBondContact O-CB 3.44Å; K591-D595 VanDerWaalsContact O-CG 3.28Å; K591-D595 PolarHBondContact O-N 2.9Å; F592-D595 PolarHBondContact O-N 3.16Å; D595-I598 PolarHBondContact O-N 3.02Å; D595-K599 WeakPolarHBondContact O-CB 3.47Å; D595-K599 VanDerWaalsContact O-CG 3.3Å; D595-K599 WeakPolarHBondContact O-CG 3.28Å; D595-K599 PolarHBondContact O-N 3.44Å
596	E	73.9	Confident	68.9	Low	81 Å²	81	93.8 Å²	93.8	38%	0.379	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-41.9	175.5	-174	174.2	-169.3	0	0	111.7	F592 R593 K599 R600	F592-E596 HydrophobicContact CE1-CB 4.42Å; F592-E596 WeakPolarHBondContact CE1-OE2 3.2Å; F592-E596 VanDerWaalsContact O-CB 3.31Å; F592-E596 WeakPolarHBondContact O-CB 3.26Å; F592-E596 PolarHBondContact O-N 2.97Å; R593-E596 PolarHBondContact O-N 3.45Å; E596-K599 PolarHBondContact O-N 3.01Å; E596-R600 WeakPolarHBondContact O-CB 3.32Å; E596-R600 PolarHBondContact O-N 3.48Å
597	Q	76.2	Confident	70.8	Confident	104 Å²	104	92.6 Å²	92.6	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-65.7	-39.7	173.9	-76.4	177.7	19.2	0	0	112	R593 E594 R600 K601	R593-Q597 VanDerWaalsContact O-CB 3.24Å; R593-Q597 WeakPolarHBondContact O-CB 3.44Å; R593-Q597 WeakPolarHBondContact O-CG 3.27Å; R593-Q597 PolarHBondContact O-N 2.66Å; E594-Q597 PolarHBondContact O-N 3.47Å; Q597-R600 PolarHBondContact O-N 3.13Å; Q597-K601 VanDerWaalsContact O-CB 3.24Å; Q597-K601 WeakPolarHBondContact O-CB 3.3Å; Q597-K601 WeakPolarHBondContact O-CG 3.48Å; Q597-K601 PolarHBondContact O-N 2.92Å
598	I	77.7	Confident	72.3	Confident	99 Å²	99	94.7 Å²	94.7	51%	0.508	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-45.6	176.6	-72.3	162.5	0	0	0	109.6	E594 D595 K601 A602	E594-I598 WeakPolarHBondContact O-CB 3.37Å; E594-I598 WeakPolarHBondContact O-CD1 3.26Å; E594-I598 WeakPolarHBondContact O-CG1 3.35Å; E594-I598 PolarHBondContact O-N 3.2Å; D595-I598 PolarHBondContact O-N 3.02Å; I598-K601 PolarHBondContact O-N 2.97Å; I598-A602 WeakPolarHBondContact O-CB 3.38Å; I598-A602 PolarHBondContact O-N 2.76Å
599	K	78.9	Confident	74	Confident	92 Å²	92	92.8 Å²	92.8	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-62.9	-46.5	175.3	-72	174.8	-174.1	177.5	0	112	D595 E596 K601 A602 A603 M849	D595-K599 WeakPolarHBondContact O-CB 3.47Å; D595-K599 VanDerWaalsContact O-CG 3.3Å; D595-K599 WeakPolarHBondContact O-CG 3.28Å; D595-K599 PolarHBondContact O-N 3.44Å; E596-K599 PolarHBondContact O-N 3.01Å; K599-K601 VanDerWaalsContact C-N 3.34Å; K599-K601 PolarHBondContact O-N 3.22Å; K599-A602 CarbonylContact O-C 3.41Å; K599-A602 WeakPolarHBondContact O-CA 3.29Å; K599-A602 WeakPolarHBondContact O-CB 3.48Å; K599-A602 PolarHBondContact O-N 3.37Å; K599-A603 PolarHBondContact O-N 3.15Å; K599-M849 HydrophobicContact CD-SD 4.29Å
600	R	77.6	Confident	75.5	Confident	173 Å²	173	91.1 Å²	91.1	65%	0.653	42%	0.42	S	S	*	.	H	α-helix	trans	-61.5	-41.3	176	-172.4	171.8	-177.5	147.3	1.4	111.9	E596 Q597 A602 A603 L604	E596-R600 WeakPolarHBondContact O-CB 3.32Å; E596-R600 PolarHBondContact O-N 3.48Å; Q597-R600 PolarHBondContact O-N 3.13Å; R600-A602 VanDerWaalsContact C-N 3.3Å; R600-A602 PolarHBondContact O-N 2.86Å; R600-A603 PolarHBondContact O-N 2.78Å; R600-L604 HydrophobicContact CG-CD1 4.27Å; R600-L604 WeakPolarHBondContact O-CB 3.42Å; R600-L604 VanDerWaalsContact O-CG 3.29Å; R600-L604 WeakPolarHBondContact O-CG 3.5Å; R600-L604 PolarHBondContact O-N 2.93Å
601	K	76.7	Confident	76.9	Confident	117 Å²	117	87.3 Å²	87.3	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-31.6	173	-75.2	173.1	-178.3	175.3	0	112.1	Q597 I598 K599 R605	Q597-K601 VanDerWaalsContact O-CB 3.24Å; Q597-K601 WeakPolarHBondContact O-CB 3.3Å; Q597-K601 WeakPolarHBondContact O-CG 3.48Å; Q597-K601 PolarHBondContact O-N 2.92Å; I598-K601 PolarHBondContact O-N 2.97Å; K599-K601 VanDerWaalsContact C-N 3.34Å; K599-K601 PolarHBondContact O-N 3.22Å; K601-R605 VanDerWaalsContact O-CB 3.3Å; K601-R605 WeakPolarHBondContact O-CB 3.37Å; K601-R605 WeakPolarHBondContact O-CG 3.19Å; K601-R605 PolarHBondContact O-N 3.29Å; K601-R605 VanDerWaalsContact O-N 3.08Å; K601-R605 PolarHBondContact O-NE 3.33Å; K601-R605 VanDerWaalsContact O-NE 3.13Å
602	A	78	Confident	78	Confident	51 Å²	51	88.7 Å²	88.7	42%	0.421	42%	0.417	S	S	.	.	H	α-helix	trans	-71.4	-44.9	174.4	0	0	0	0	0	111.2	I598 K599 R600 R605 A606	I598-A602 WeakPolarHBondContact O-CB 3.38Å; I598-A602 PolarHBondContact O-N 2.76Å; K599-A602 CarbonylContact O-C 3.41Å; K599-A602 WeakPolarHBondContact O-CA 3.29Å; K599-A602 WeakPolarHBondContact O-CB 3.48Å; K599-A602 PolarHBondContact O-N 3.37Å; R600-A602 VanDerWaalsContact C-N 3.3Å; R600-A602 PolarHBondContact O-N 2.86Å; A602-R605 WeakPolarHBondContact O-CB 3.5Å; A602-R605 PolarHBondContact O-N 3.46Å; A602-A606 PolarHBondContact O-N 3.35Å
603	A	80.2	Confident	79.1	Confident	20 Å²	20	90.3 Å²	90.3	17%	0.165	43%	0.425	C	S	.	.	H	α-helix	trans	-59.5	-50.5	174.4	0	0	0	0	0	111.6	K599 R600 R605 A606 F607	K599-A603 PolarHBondContact O-N 3.15Å; R600-A603 PolarHBondContact O-N 2.78Å; A603-R605 PolarHBondContact O-N 2.84Å; A603-A606 WeakPolarHBondContact O-CB 3.24Å; A603-A606 PolarHBondContact O-N 2.98Å; A603-F607 VanDerWaalsContact O-CD2 3.26Å; A603-F607 WeakPolarHBondContact O-CD2 3.23Å; A603-F607 PolarHBondContact O-N 3.05Å
604	L	77.6	Confident	80.3	Confident	85 Å²	85	89 Å²	89	45%	0.445	42%	0.423	S	S	.	.	H	α-helix	trans	-59.8	-34.5	175.3	-71.9	173	0	0	0	112.5	R600 R608	R600-L604 HydrophobicContact CG-CD1 4.27Å; R600-L604 WeakPolarHBondContact O-CB 3.42Å; R600-L604 VanDerWaalsContact O-CG 3.29Å; R600-L604 WeakPolarHBondContact O-CG 3.5Å; R600-L604 PolarHBondContact O-N 2.93Å; L604-R608 WeakPolarHBondContact O-CB 3.4Å; L604-R608 WeakPolarHBondContact O-CG 3.13Å; L604-R608 PolarHBondContact O-N 2.89Å
605	R	81.8	Confident	81.1	Confident	147 Å²	147	87.2 Å²	87.2	56%	0.555	42%	0.423	S	S	*	.	H	α-helix	trans	-67.7	-42.3	173.3	-83.7	-176.2	-85.2	-156.2	2.2	111.9	K601 A602 A603 R608 I609	K601-R605 VanDerWaalsContact O-CB 3.3Å; K601-R605 WeakPolarHBondContact O-CB 3.37Å; K601-R605 WeakPolarHBondContact O-CG 3.19Å; K601-R605 PolarHBondContact O-N 3.29Å; K601-R605 VanDerWaalsContact O-N 3.08Å; K601-R605 PolarHBondContact O-NE 3.33Å; K601-R605 VanDerWaalsContact O-NE 3.13Å; A602-R605 WeakPolarHBondContact O-CB 3.5Å; A602-R605 PolarHBondContact O-N 3.46Å; A603-R605 PolarHBondContact O-N 2.84Å; R605-R608 PolarHBondContact O-N 2.99Å; R605-I609 VanDerWaalsContact O-CG1 3.26Å; R605-I609 WeakPolarHBondContact O-CG1 3.49Å; R605-I609 PolarHBondContact O-N 2.92Å
606	A	82.9	Confident	82	Confident	32 Å²	32	89 Å²	89	26%	0.264	43%	0.429	S	S	.	.	H	α-helix	trans	-60.6	-48.1	176.5	0	0	0	0	0	111.6	A602 A603 R608 I609 L610 L838	A602-A606 PolarHBondContact O-N 3.35Å; A603-A606 WeakPolarHBondContact O-CB 3.24Å; A603-A606 PolarHBondContact O-N 2.98Å; A606-R608 VanDerWaalsContact C-N 3.32Å; A606-R608 PolarHBondContact O-N 3.23Å; A606-I609 PolarHBondContact O-N 3.37Å; A606-L610 WeakPolarHBondContact O-CB 3.5Å; A606-L610 PolarHBondContact O-N 3.29Å; A606-L838 HydrophobicContact CB-CD1 4.1Å; A606-L838 HydrophobicContact CB-CD2 4.01Å
607	F	83.3	Confident	82.9	Confident	42 Å²	42	87.3 Å²	87.3	18%	0.184	42%	0.421	C	S	.	.	H	α-helix	trans	-60.8	-38.7	175.4	-75.5	-63.7	0	0	0	113	A603 L610 A611 L838 E839	A603-F607 VanDerWaalsContact O-CD2 3.26Å; A603-F607 WeakPolarHBondContact O-CD2 3.23Å; A603-F607 PolarHBondContact O-N 3.05Å; F607-L610 PolarHBondContact O-N 3.06Å; F607-A611 WeakPolarHBondContact O-CB 3.27Å; F607-A611 PolarHBondContact O-N 3.13Å; F607-L838 HydrophobicContact CD1-CD1 3.96Å; F607-L838 HydrophobicContact CE1-CB 3.77Å; F607-L838 HydrophobicContact CE1-CD1 4.04Å; F607-L838 HydrophobicContact CG-CD1 4.47Å; F607-L838 HydrophobicContact CZ-CB 3.79Å; F607-E839 HydrophobicContact CE1-CG 4.42Å; F607-E839 HydrophobicContact CZ-CG 4.09Å
608	R	84	Confident	83.6	Confident	182 Å²	182	84.4 Å²	84.4	69%	0.687	41%	0.41	S	S	*	.	H	α-helix	trans	-66.9	-39.9	175.9	-78	174.3	177.1	176.9	-0.6	112.9	L604 R605 A606 L610 K612	L604-R608 WeakPolarHBondContact O-CB 3.4Å; L604-R608 WeakPolarHBondContact O-CG 3.13Å; L604-R608 PolarHBondContact O-N 2.89Å; R605-R608 PolarHBondContact O-N 2.99Å; A606-R608 VanDerWaalsContact C-N 3.32Å; A606-R608 PolarHBondContact O-N 3.23Å; R608-L610 VanDerWaalsContact C-N 3.35Å; R608-K612 WeakPolarHBondContact O-CB 3.44Å; R608-K612 PolarHBondContact O-N 3.41Å
609	I	85.2	Confident	84.3	Confident	113 Å²	113	87.1 Å²	87.1	58%	0.579	41%	0.414	S	S	*	.	H	α-helix	trans	-63.9	-44.9	176.9	-70.3	164.8	0	0	0	109.7	R605 A606 K612 Q613	R605-I609 VanDerWaalsContact O-CG1 3.26Å; R605-I609 WeakPolarHBondContact O-CG1 3.49Å; R605-I609 PolarHBondContact O-N 2.92Å; A606-I609 PolarHBondContact O-N 3.37Å; I609-K612 WeakPolarHBondContact O-CB 3.33Å; I609-K612 PolarHBondContact O-N 2.72Å; I609-Q613 PolarHBondContact O-N 3.17Å
610	L	82.8	Confident	85	Confident	21 Å²	21	86.1 Å²	86.1	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-63.1	-45.1	179	-167.1	148.6	0	0	0	111.7	A606 F607 R608 K612 Q613 E614 Q831 R835 L838	A606-L610 WeakPolarHBondContact O-CB 3.5Å; A606-L610 PolarHBondContact O-N 3.29Å; F607-L610 PolarHBondContact O-N 3.06Å; R608-L610 VanDerWaalsContact C-N 3.35Å; L610-K612 VanDerWaalsContact C-N 3.31Å; L610-K612 PolarHBondContact O-N 2.99Å; L610-Q613 WeakPolarHBondContact O-CB 3.48Å; L610-Q613 PolarHBondContact O-N 3.08Å; L610-Q613 VanDerWaalsContact O-N 3.14Å; L610-E614 PolarHBondContact O-N 3.11Å; L610-Q831 HydrophobicContact CD2-CB 4.35Å; L610-R835 HydrophobicContact CD1-CG 4.45Å; L610-R835 HydrophobicContact CD2-CG 3.59Å; L610-L838 HydrophobicContact CD1-CD1 3.9Å
611	A	85.7	Confident	85.8	Confident	40 Å²	40	78.9 Å²	78.9	33%	0.331	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-37.4	173.6	0	0	0	0	0	112.9	F607 Q613 A615	F607-A611 WeakPolarHBondContact O-CB 3.27Å; F607-A611 PolarHBondContact O-N 3.13Å; A611-Q613 VanDerWaalsContact C-N 3.35Å; A611-A615 WeakPolarHBondContact O-CB 3.48Å; A611-A615 PolarHBondContact O-N 3.07Å
612	K	86.7	Confident	86.6	Confident	163 Å²	163	75.7 Å²	75.7	71%	0.709	37%	0.373	S	S	*	.	H	α-helix	trans	-67.4	-36.9	175.3	-172.8	176.5	179.1	-179.6	0	111.8	R608 I609 L610 H616	R608-K612 WeakPolarHBondContact O-CB 3.44Å; R608-K612 PolarHBondContact O-N 3.41Å; I609-K612 WeakPolarHBondContact O-CB 3.33Å; I609-K612 PolarHBondContact O-N 2.72Å; L610-K612 VanDerWaalsContact C-N 3.31Å; L610-K612 PolarHBondContact O-N 2.99Å; K612-H616 WeakPolarHBondContact O-CB 3.31Å; K612-H616 PolarHBondContact O-N 2.87Å
613	Q	86.2	Confident	87.4	Confident	92 Å²	92	78.1 Å²	78.1	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-66.8	-44.1	175.8	-174.1	174.5	-15.6	0	0	111.3	I609 L610 A611 A615 H616 Q617	I609-Q613 PolarHBondContact O-N 3.17Å; L610-Q613 WeakPolarHBondContact O-CB 3.48Å; L610-Q613 PolarHBondContact O-N 3.08Å; L610-Q613 VanDerWaalsContact O-N 3.14Å; A611-Q613 VanDerWaalsContact C-N 3.35Å; Q613-A615 PolarHBondContact O-N 2.8Å; Q613-H616 PolarHBondContact O-N 2.97Å; Q613-Q617 HydrophobicContact CG-CG 4.43Å; Q613-Q617 WeakPolarHBondContact O-CB 3.37Å; Q613-Q617 WeakPolarHBondContact O-CG 3.14Å; Q613-Q617 PolarHBondContact O-N 2.78Å
614	E	86.7	Confident	88	Confident	52 Å²	52	84 Å²	84	24%	0.243	39%	0.394	C	S	.	.	H	α-helix	trans	-56	-50.2	173.1	178.8	179.5	-176.8	0	0	111.6	L610 H616 Q617 T618 Q831 R835	L610-E614 PolarHBondContact O-N 3.11Å; E614-H616 VanDerWaalsContact C-N 3.33Å; E614-H616 PolarHBondContact O-N 3.07Å; E614-Q617 PolarHBondContact O-N 2.87Å; E614-T618 VanDerWaalsContact O-CB 3.25Å; E614-T618 WeakPolarHBondContact O-CB 3.44Å; E614-T618 PolarHBondContact O-N 2.77Å; E614-T618 PolarHBondContact O-OG1 3.11Å; E614-Q831 HydrophobicContact CB-CG 3.89Å; E614-Q831 HydrophobicContact CG-CG 4.03Å; E614-R835 IonicContact OE2-CZ 3.68Å; E614-R835 IonicContact OE2-NE 3.7Å; E614-R835 IonicContact OE2-NH2 2.73Å; E614-R835 PolarHBondContact OE2-NH2 2.81Å
615	A	88.9	Confident	88.7	Confident	52 Å²	52	80.5 Å²	80.5	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-39	179.4	0	0	0	0	0	112.3	A611 Q613 R619	A611-A615 WeakPolarHBondContact O-CB 3.48Å; A611-A615 PolarHBondContact O-N 3.07Å; Q613-A615 PolarHBondContact O-N 2.8Å; A615-R619 WeakPolarHBondContact O-CB 3.34Å; A615-R619 PolarHBondContact O-N 3.37Å; A615-R619 VanDerWaalsContact O-N 3.07Å
616	H	91.2	Very high	89.3	Confident	111 Å²	111	77.9 Å²	77.9	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-52.2	176.4	179.7	-77.6	0	0	0	111.8	K612 Q613 E614 T618 R619 E620	K612-H616 WeakPolarHBondContact O-CB 3.31Å; K612-H616 PolarHBondContact O-N 2.87Å; Q613-H616 PolarHBondContact O-N 2.97Å; E614-H616 VanDerWaalsContact C-N 3.33Å; E614-H616 PolarHBondContact O-N 3.07Å; H616-T618 VanDerWaalsContact C-N 3.31Å; H616-T618 PolarHBondContact O-N 3.48Å; H616-R619 PolarHBondContact O-N 2.78Å; H616-E620 IonicContact CE1-OE2 3.37Å; H616-E620 PolarHBondContact CE1-OE2 3.41Å; H616-E620 IonicContact ND1-OE2 3.04Å; H616-E620 WeakPolarHBondContact O-CB 3.42Å; H616-E620 PolarHBondContact O-N 3.46Å
617	Q	92.1	Very high	89.8	Confident	46 Å²	46	81.7 Å²	81.7	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-41.4	179.7	-71.2	176.4	-41.5	0	0	111.5	Q613 E614 R619 E620 L621 I827	Q613-Q617 HydrophobicContact CG-CG 4.43Å; Q613-Q617 WeakPolarHBondContact O-CB 3.37Å; Q613-Q617 WeakPolarHBondContact O-CG 3.14Å; Q613-Q617 PolarHBondContact O-N 2.78Å; E614-Q617 PolarHBondContact O-N 2.87Å; Q617-R619 PolarHBondContact O-N 3.09Å; Q617-E620 PolarHBondContact O-N 3.25Å; Q617-L621 VanDerWaalsContact O-CB 3.3Å; Q617-L621 WeakPolarHBondContact O-CB 3.36Å; Q617-L621 PolarHBondContact O-N 2.66Å; Q617-I827 HydrophobicContact CB-CD1 3.92Å; Q617-I827 HydrophobicContact CB-CG1 4.47Å; Q617-I827 HydrophobicContact CB-CG2 4.31Å
618	T	92	Very high	90.4	Very high	42 Å²	42	84.4 Å²	84.4	26%	0.258	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177	-59.6	0	0	0	0	111.7	E614 H616 N622 L824	E614-T618 VanDerWaalsContact O-CB 3.25Å; E614-T618 WeakPolarHBondContact O-CB 3.44Å; E614-T618 PolarHBondContact O-N 2.77Å; E614-T618 PolarHBondContact O-OG1 3.11Å; H616-T618 VanDerWaalsContact C-N 3.31Å; H616-T618 PolarHBondContact O-N 3.48Å; T618-N622 WeakPolarHBondContact O-CB 3.49Å; T618-N622 VanDerWaalsContact O-CG 3.32Å; T618-N622 PolarHBondContact O-N 2.94Å; T618-N622 PolarHBondContact O-ND2 3.16Å; T618-N622 VanDerWaalsContact O-ND2 3.14Å; T618-L824 HydrophobicContact CG2-CD2 3.86Å
619	R	92	Very high	90.8	Very high	156 Å²	156	77 Å²	77	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-64.4	-49.3	177	-173.5	-175.5	-59.1	157.4	2.2	111.5	A615 H616 Q617 L621 N622 E623	A615-R619 WeakPolarHBondContact O-CB 3.34Å; A615-R619 PolarHBondContact O-N 3.37Å; A615-R619 VanDerWaalsContact O-N 3.07Å; H616-R619 PolarHBondContact O-N 2.78Å; Q617-R619 PolarHBondContact O-N 3.09Å; R619-L621 VanDerWaalsContact C-N 3.31Å; R619-L621 PolarHBondContact O-N 3.11Å; R619-N622 PolarHBondContact O-N 3.18Å; R619-E623 WeakPolarHBondContact CG-OE1 3.4Å; R619-E623 WeakPolarHBondContact O-CG 3.4Å; R619-E623 PolarHBondContact O-N 2.9Å
620	E	94	Very high	91.2	Very high	71 Å²	71	74.7 Å²	74.7	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-40.3	-180	-174.8	176.8	-175.1	0	0	112	H616 Q617 E623 R624	H616-E620 IonicContact CE1-OE2 3.37Å; H616-E620 PolarHBondContact CE1-OE2 3.41Å; H616-E620 IonicContact ND1-OE2 3.04Å; H616-E620 WeakPolarHBondContact O-CB 3.42Å; H616-E620 PolarHBondContact O-N 3.46Å; Q617-E620 PolarHBondContact O-N 3.25Å; E620-E623 PolarHBondContact O-N 3.01Å; E620-R624 VanDerWaalsContact O-CG 3.31Å; E620-R624 WeakPolarHBondContact O-CG 3.48Å; E620-R624 PolarHBondContact O-N 3.17Å; E620-R624 IonicContact OE1-CZ 2.62Å; E620-R624 IonicContact OE1-NE 3.72Å; E620-R624 IonicContact OE1-NH2 3.49Å; E620-R624 PolarHBondContact OE1-NH2 3.44Å
621	L	93.1	Very high	91.8	Very high	21 Å²	21	78.1 Å²	78.1	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-62.3	-47.6	174	-176.5	166.5	0	0	0	111.2	Q617 R619 E623 R624 A625 R820 D823 L824 I827	Q617-L621 VanDerWaalsContact O-CB 3.3Å; Q617-L621 WeakPolarHBondContact O-CB 3.36Å; Q617-L621 PolarHBondContact O-N 2.66Å; R619-L621 VanDerWaalsContact C-N 3.31Å; R619-L621 PolarHBondContact O-N 3.11Å; L621-E623 VanDerWaalsContact C-N 3.33Å; L621-E623 PolarHBondContact O-N 2.9Å; L621-R624 PolarHBondContact O-N 3.2Å; L621-A625 WeakPolarHBondContact O-CB 3.44Å; L621-A625 PolarHBondContact O-N 2.91Å; L621-R820 HydrophobicContact CD2-CG 3.77Å; L621-D823 HydrophobicContact CD1-CB 3.46Å; L621-D823 VanDerWaalsContact CD1-CB 3.46Å; L621-D823 HydrophobicContact CG-CB 4.26Å; L621-L824 HydrophobicContact CD1-CD2 4.05Å; L621-L824 HydrophobicContact CD1-CG 4.13Å; L621-L824 HydrophobicContact CD2-CD2 3.98Å; L621-L824 HydrophobicContact CD2-CG 3.89Å; L621-I827 HydrophobicContact CB-CD1 4.37Å; L621-I827 HydrophobicContact CD1-CD1 3.49Å; L621-I827 VanDerWaalsContact CD1-CD1 3.49Å
622	N	93.6	Very high	92.2	Very high	50 Å²	50	76.9 Å²	76.9	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-39.9	178.3	-76.9	-36.2	0	0	0	112.1	T618 R619 A625 Q626 R820	T618-N622 WeakPolarHBondContact O-CB 3.49Å; T618-N622 VanDerWaalsContact O-CG 3.32Å; T618-N622 PolarHBondContact O-N 2.94Å; T618-N622 PolarHBondContact O-ND2 3.16Å; T618-N622 VanDerWaalsContact O-ND2 3.14Å; R619-N622 PolarHBondContact O-N 3.18Å; N622-A625 PolarHBondContact O-N 3.05Å; N622-Q626 WeakPolarHBondContact O-CB 3.41Å; N622-Q626 PolarHBondContact O-N 3.32Å; N622-R820 PolarHBondContact OD1-NE 2.92Å; N622-R820 VanDerWaalsContact OD1-NE 3.14Å; N622-R820 PolarHBondContact OD1-NH2 3.21Å
623	E	94.5	Very high	92.5	Very high	103 Å²	103	73 Å²	73	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-45.5	174.7	-73.4	172.6	-166.8	0	0	111.7	R619 E620 L621 A625 Q626 Q627	R619-E623 WeakPolarHBondContact CG-OE1 3.4Å; R619-E623 WeakPolarHBondContact O-CG 3.4Å; R619-E623 PolarHBondContact O-N 2.9Å; E620-E623 PolarHBondContact O-N 3.01Å; L621-E623 VanDerWaalsContact C-N 3.33Å; L621-E623 PolarHBondContact O-N 2.9Å; E623-A625 PolarHBondContact O-N 2.97Å; E623-Q626 PolarHBondContact O-N 3.34Å; E623-Q627 VanDerWaalsContact O-CG 3.3Å; E623-Q627 WeakPolarHBondContact O-CG 3.23Å; E623-Q627 PolarHBondContact O-N 2.93Å
624	R	94.3	Very high	93	Very high	144 Å²	144	73.8 Å²	73.8	54%	0.543	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-41.3	175.5	-71.9	175.2	-173	176.8	1.2	112.1	E620 L621 Q627 Q628	E620-R624 VanDerWaalsContact O-CG 3.31Å; E620-R624 WeakPolarHBondContact O-CG 3.48Å; E620-R624 PolarHBondContact O-N 3.17Å; E620-R624 IonicContact OE1-CZ 2.62Å; E620-R624 IonicContact OE1-NE 3.72Å; E620-R624 IonicContact OE1-NH2 3.49Å; E620-R624 PolarHBondContact OE1-NH2 3.44Å; L621-R624 PolarHBondContact O-N 3.2Å; R624-Q627 PolarHBondContact O-N 3.29Å; R624-Q628 WeakPolarHBondContact O-CG 3.47Å; R624-Q628 PolarHBondContact O-N 3.31Å
625	A	92.4	Very high	93.3	Very high	11 Å²	11	77.3 Å²	77.3	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-42.2	177.4	0	0	0	0	0	111.2	L621 N622 E623 Q628 I629 R820	L621-A625 WeakPolarHBondContact O-CB 3.44Å; L621-A625 PolarHBondContact O-N 2.91Å; N622-A625 PolarHBondContact O-N 3.05Å; E623-A625 PolarHBondContact O-N 2.97Å; A625-Q628 WeakPolarHBondContact O-CB 3.43Å; A625-Q628 PolarHBondContact O-N 3.27Å; A625-I629 WeakPolarHBondContact O-CG1 3.2Å; A625-I629 PolarHBondContact O-N 2.95Å; A625-R820 HydrophobicContact CB-CB 4.31Å; A625-R820 HydrophobicContact CB-CG 3.84Å
626	Q	93	Very high	93.6	Very high	91 Å²	91	77.1 Å²	77.1	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-44	175.8	-170.4	59.3	49.6	0	0	111.5	N622 E623 Q628 I629 D630	N622-Q626 WeakPolarHBondContact O-CB 3.41Å; N622-Q626 PolarHBondContact O-N 3.32Å; E623-Q626 PolarHBondContact O-N 3.34Å; Q626-Q628 VanDerWaalsContact C-N 3.26Å; Q626-Q628 PolarHBondContact O-N 3.44Å; Q626-I629 WeakPolarHBondContact O-CB 3.5Å; Q626-I629 PolarHBondContact O-N 3.46Å; Q626-I629 VanDerWaalsContact O-N 3.1Å; Q626-D630 PolarHBondContact NE2-OD1 2.98Å; Q626-D630 VanDerWaalsContact O-CG 3.23Å; Q626-D630 PolarHBondContact O-N 3.36Å
627	Q	94.6	Very high	93.7	Very high	113 Å²	113	76.1 Å²	76.1	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-58	-38.7	174.5	-71	169.5	17.4	0	0	112.2	E623 R624 D630 I631	E623-Q627 VanDerWaalsContact O-CG 3.3Å; E623-Q627 WeakPolarHBondContact O-CG 3.23Å; E623-Q627 PolarHBondContact O-N 2.93Å; R624-Q627 PolarHBondContact O-N 3.29Å; Q627-D630 PolarHBondContact O-N 3.46Å; Q627-I631 WeakPolarHBondContact O-CB 3.4Å; Q627-I631 WeakPolarHBondContact O-CD1 3.43Å; Q627-I631 WeakPolarHBondContact O-CG1 3.4Å; Q627-I631 PolarHBondContact O-N 3.14Å
628	Q	94.6	Very high	93.9	Very high	99 Å²	99	76.5 Å²	76.5	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-39.6	176.1	-71.5	176.8	4	0	0	112.4	R624 A625 Q626 I631 L632 L816	R624-Q628 WeakPolarHBondContact O-CG 3.47Å; R624-Q628 PolarHBondContact O-N 3.31Å; A625-Q628 WeakPolarHBondContact O-CB 3.43Å; A625-Q628 PolarHBondContact O-N 3.27Å; Q626-Q628 VanDerWaalsContact C-N 3.26Å; Q626-Q628 PolarHBondContact O-N 3.44Å; Q628-I631 PolarHBondContact O-N 3.18Å; Q628-L632 WeakPolarHBondContact O-CB 3.46Å; Q628-L632 PolarHBondContact O-N 3.37Å; Q628-L816 HydrophobicContact CB-CD1 4.22Å
629	I	92.2	Very high	94.1	Very high	25 Å²	25	78.4 Å²	78.4	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-62.4	-48.7	173.9	-68.4	168.9	0	0	0	110	A625 Q626 I631 L632 E633	A625-I629 WeakPolarHBondContact O-CG1 3.2Å; A625-I629 PolarHBondContact O-N 2.95Å; Q626-I629 WeakPolarHBondContact O-CB 3.5Å; Q626-I629 PolarHBondContact O-N 3.46Å; Q626-I629 VanDerWaalsContact O-N 3.1Å; I629-I631 VanDerWaalsContact C-N 3.32Å; I629-I631 PolarHBondContact O-N 2.93Å; I629-L632 WeakPolarHBondContact O-CA 3.34Å; I629-L632 WeakPolarHBondContact O-CB 3.45Å; I629-L632 PolarHBondContact O-N 3.48Å; I629-E633 HydrophobicContact CG2-CG 4.32Å; I629-E633 WeakPolarHBondContact O-CG 3.49Å; I629-E633 PolarHBondContact O-N 3.41Å
630	D	94	Very high	94.3	Very high	66 Å²	66	72.5 Å²	72.5	35%	0.353	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-40.5	-180	-61.9	-11.2	0	0	0	111.6	Q626 Q627 L632 E633 N634	Q626-D630 PolarHBondContact NE2-OD1 2.98Å; Q626-D630 VanDerWaalsContact O-CG 3.23Å; Q626-D630 PolarHBondContact O-N 3.36Å; Q627-D630 PolarHBondContact O-N 3.46Å; D630-L632 VanDerWaalsContact C-N 3.34Å; D630-E633 PolarHBondContact O-N 3.49Å; D630-N634 WeakPolarHBondContact O-CB 3.39Å; D630-N634 PolarHBondContact O-N 2.95Å; D630-N634 PolarHBondContact O-ND2 2.89Å
631	I	95.9	Very high	94.4	Very high	92 Å²	92	71.6 Å²	71.6	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-41.9	174.3	-70.8	164.8	0	0	0	110.7	Q627 Q628 I629 K635	Q627-I631 WeakPolarHBondContact O-CB 3.4Å; Q627-I631 WeakPolarHBondContact O-CD1 3.43Å; Q627-I631 WeakPolarHBondContact O-CG1 3.4Å; Q627-I631 PolarHBondContact O-N 3.14Å; Q628-I631 PolarHBondContact O-N 3.18Å; I629-I631 VanDerWaalsContact C-N 3.32Å; I629-I631 PolarHBondContact O-N 2.93Å; I631-K635 HydrophobicContact CG2-CD 4.32Å; I631-K635 WeakPolarHBondContact O-CG 3.33Å; I631-K635 PolarHBondContact O-N 3.42Å
632	L	94.1	Very high	94.6	Very high	15 Å²	15	74.5 Å²	74.5	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-45.5	178.8	-174.8	69.2	0	0	0	111.3	Q628 I629 D630 K635 M636 F809 M812 K813 L816	Q628-L632 WeakPolarHBondContact O-CB 3.46Å; Q628-L632 PolarHBondContact O-N 3.37Å; I629-L632 WeakPolarHBondContact O-CA 3.34Å; I629-L632 WeakPolarHBondContact O-CB 3.45Å; I629-L632 PolarHBondContact O-N 3.48Å; D630-L632 VanDerWaalsContact C-N 3.34Å; L632-K635 WeakPolarHBondContact O-CB 3.31Å; L632-K635 PolarHBondContact O-N 3.14Å; L632-M636 WeakPolarHBondContact O-CB 3.5Å; L632-M636 PolarHBondContact O-N 3.38Å; L632-F809 HydrophobicContact CD1-CD1 3.62Å; L632-F809 HydrophobicContact CD1-CE1 3.67Å; L632-F809 HydrophobicContact CD2-CD1 4.5Å; L632-F809 HydrophobicContact CG-CD1 3.82Å; L632-F809 HydrophobicContact CG-CE1 4.17Å; L632-M812 HydrophobicContact CD1-CB 4.13Å; L632-M812 HydrophobicContact CD1-CE 3.55Å; L632-M812 HydrophobicContact CD1-SD 4.08Å; L632-M812 HydrophobicContact CD2-CB 4.04Å; L632-K813 HydrophobicContact CD2-CB 4.17Å; L632-L816 HydrophobicContact CB-CD1 4.41Å; L632-L816 HydrophobicContact CD2-CD1 3.91Å
633	E	93.4	Very high	94.8	Very high	82 Å²	82	73.3 Å²	73.3	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-40.3	177.5	-71.5	-177.3	175.9	0	0	112.1	I629 D630 K635 M636 N637	I629-E633 HydrophobicContact CG2-CG 4.32Å; I629-E633 WeakPolarHBondContact O-CG 3.49Å; I629-E633 PolarHBondContact O-N 3.41Å; D630-E633 PolarHBondContact O-N 3.49Å; E633-K635 PolarHBondContact O-N 3.35Å; E633-M636 WeakPolarHBondContact O-CB 3.5Å; E633-M636 PolarHBondContact O-N 3.26Å; E633-N637 WeakPolarHBondContact O-CB 3.14Å; E633-N637 VanDerWaalsContact O-CG 3.22Å; E633-N637 PolarHBondContact O-N 3.35Å; E633-N637 PolarHBondContact O-ND2 3.32Å
634	N	95.5	Very high	94.8	Very high	108 Å²	108	71 Å²	71	58%	0.578	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-41	174.8	-76.1	-41.3	0	0	0	112.2	D630 N637 A638	D630-N634 WeakPolarHBondContact O-CB 3.39Å; D630-N634 PolarHBondContact O-N 2.95Å; D630-N634 PolarHBondContact O-ND2 2.89Å; N634-N637 PolarHBondContact O-N 3.36Å; N634-A638 WeakPolarHBondContact O-CB 3.38Å; N634-A638 PolarHBondContact O-N 3.25Å
635	K	94.3	Very high	95	Very high	126 Å²	126	70.7 Å²	70.7	55%	0.548	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-44.2	173.3	-75.1	175.9	-179.4	179.6	0	111.4	I631 L632 E633 N637 A638 E639 F809	I631-K635 HydrophobicContact CG2-CD 4.32Å; I631-K635 WeakPolarHBondContact O-CG 3.33Å; I631-K635 PolarHBondContact O-N 3.42Å; L632-K635 WeakPolarHBondContact O-CB 3.31Å; L632-K635 PolarHBondContact O-N 3.14Å; E633-K635 PolarHBondContact O-N 3.35Å; K635-N637 PolarHBondContact O-N 3.47Å; K635-A638 PolarHBondContact O-N 3.3Å; K635-E639 PolarHBondContact O-N 3.41Å; K635-F809 HydrophobicContact CB-CE1 4.33Å; K635-F809 HydrophobicContact CB-CZ 4.48Å
636	M	94.8	Very high	95.2	Very high	47 Å²	47	73.4 Å²	73.4	23%	0.232	38%	0.38	C	S	.	.	H	α-helix	trans	-57.5	-49.9	176.4	-176.9	-174	72.3	0	0	111.8	L632 E633 A638 E639 F640 F809	L632-M636 WeakPolarHBondContact O-CB 3.5Å; L632-M636 PolarHBondContact O-N 3.38Å; E633-M636 WeakPolarHBondContact O-CB 3.5Å; E633-M636 PolarHBondContact O-N 3.26Å; M636-A638 VanDerWaalsContact C-N 3.31Å; M636-A638 PolarHBondContact O-N 3.17Å; M636-E639 PolarHBondContact O-N 2.92Å; M636-F640 HydrophobicContact CE-CE2 4.33Å; M636-F640 HydrophobicContact CG-CD2 3.77Å; M636-F640 HydrophobicContact CG-CE2 3.26Å; M636-F640 HydrophobicContact CG-CZ 4.12Å; M636-F640 VanDerWaalsContact O-CD2 3.29Å; M636-F640 WeakPolarHBondContact O-CD2 3.43Å; M636-F640 PolarHBondContact O-N 3.42Å; M636-F640 HydrophobicContact SD-CE2 3.81Å; M636-F809 HydrophobicContact CB-CD1 3.63Å; M636-F809 HydrophobicContact CB-CD2 3.93Å; M636-F809 HydrophobicContact CB-CE1 3.56Å; M636-F809 HydrophobicContact CB-CE2 3.89Å; M636-F809 HydrophobicContact CB-CG 3.84Å; M636-F809 HydrophobicContact CB-CZ 3.72Å; M636-F809 HydrophobicContact CG-CB 4.28Å; M636-F809 HydrophobicContact CG-CD1 4.05Å; M636-F809 HydrophobicContact CG-CD2 3.61Å; M636-F809 HydrophobicContact CG-CE1 4.31Å; M636-F809 HydrophobicContact CG-CE2 3.94Å; M636-F809 HydrophobicContact CG-CG 3.7Å; M636-F809 HydrophobicContact CG-CZ 4.29Å; M636-F809 HydrophobicContact SD-CB 4.03Å; M636-F809 HydrophobicContact SD-CD2 4.44Å; M636-F809 HydrophobicContact SD-CG 4.09Å
637	N	93.9	Very high	95.5	Very high	90 Å²	90	69.6 Å²	69.6	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-37.8	179.1	-70.3	-28.3	0	0	0	112.2	E633 N634 K635 S641	E633-N637 WeakPolarHBondContact O-CB 3.14Å; E633-N637 VanDerWaalsContact O-CG 3.22Å; E633-N637 PolarHBondContact O-N 3.35Å; E633-N637 PolarHBondContact O-ND2 3.32Å; N634-N637 PolarHBondContact O-N 3.36Å; K635-N637 PolarHBondContact O-N 3.47Å; N637-S641 WeakPolarHBondContact O-CB 3.38Å; N637-S641 PolarHBondContact O-N 3.38Å
638	A	95.8	Very high	95.5	Very high	55 Å²	55	68.1 Å²	68.1	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-46.1	174.1	0	0	0	0	0	111.5	N634 K635 M636 S641 T642	N634-A638 WeakPolarHBondContact O-CB 3.38Å; N634-A638 PolarHBondContact O-N 3.25Å; K635-A638 PolarHBondContact O-N 3.3Å; M636-A638 VanDerWaalsContact C-N 3.31Å; M636-A638 PolarHBondContact O-N 3.17Å; A638-S641 WeakPolarHBondContact O-CB 3.16Å; A638-S641 PolarHBondContact O-N 3.32Å; A638-T642 WeakPolarHBondContact O-CG2 3.35Å; A638-T642 PolarHBondContact O-N 3.42Å
639	E	96	Very high	95.7	Very high	82 Å²	82	68.4 Å²	68.4	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-45.9	176.2	-75.5	-173.6	-152.4	0	0	111.6	K635 M636 S641 T642 L643 T805	K635-E639 PolarHBondContact O-N 3.41Å; M636-E639 PolarHBondContact O-N 2.92Å; E639-S641 VanDerWaalsContact C-N 3.33Å; E639-S641 PolarHBondContact O-N 2.85Å; E639-T642 WeakPolarHBondContact CA-OG1 3.25Å; E639-T642 PolarHBondContact O-N 3.39Å; E639-T642 VanDerWaalsContact O-N 3.13Å; E639-T642 PolarHBondContact O-OG1 2.9Å; E639-L643 WeakPolarHBondContact O-CB 3.25Å; E639-L643 PolarHBondContact O-N 3.46Å; E639-T805 HydrophobicContact CB-CG2 4.3Å
640	F	96.6	Very high	96	Very high	31 Å²	31	71.4 Å²	71.4	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-41.9	173.9	-74.2	-49.8	0	0	0	112.7	M636 T642 L643 T644 K802 T805 E806	M636-F640 HydrophobicContact CE-CE2 4.33Å; M636-F640 HydrophobicContact CG-CD2 3.77Å; M636-F640 HydrophobicContact CG-CE2 3.26Å; M636-F640 HydrophobicContact CG-CZ 4.12Å; M636-F640 VanDerWaalsContact O-CD2 3.29Å; M636-F640 WeakPolarHBondContact O-CD2 3.43Å; M636-F640 PolarHBondContact O-N 3.42Å; M636-F640 HydrophobicContact SD-CE2 3.81Å; F640-T642 VanDerWaalsContact C-N 3.3Å; F640-T642 PolarHBondContact O-N 2.83Å; F640-L643 PolarHBondContact O-N 2.83Å; F640-T644 WeakPolarHBondContact O-CB 3.24Å; F640-T644 PolarHBondContact O-N 3.47Å; F640-T644 PolarHBondContact O-OG1 3.02Å; F640-K802 HydrophobicContact CD1-CG 3.87Å; F640-K802 HydrophobicContact CE1-CB 4.39Å; F640-K802 HydrophobicContact CE1-CG 3.52Å; F640-K802 HydrophobicContact CZ-CG 4.5Å; F640-T805 HydrophobicContact CE1-CG2 3.95Å; F640-T805 HydrophobicContact CZ-CG2 4.06Å; F640-E806 HydrophobicContact CE1-CG 3.92Å; F640-E806 HydrophobicContact CE2-CG 4.12Å; F640-E806 HydrophobicContact CZ-CB 4.34Å; F640-E806 HydrophobicContact CZ-CG 3.26Å
641	S	95.9	Very high	96.1	Very high	53 Å²	53	70.1 Å²	70.1	37%	0.371	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-42.2	175.5	-169.2	0	0	0	0	111.7	N637 A638 E639 K645	N637-S641 WeakPolarHBondContact O-CB 3.38Å; N637-S641 PolarHBondContact O-N 3.38Å; A638-S641 WeakPolarHBondContact O-CB 3.16Å; A638-S641 PolarHBondContact O-N 3.32Å; E639-S641 VanDerWaalsContact C-N 3.33Å; E639-S641 PolarHBondContact O-N 2.85Å; S641-K645 WeakPolarHBondContact O-CB 3.39Å; S641-K645 WeakPolarHBondContact O-CD 3.46Å; S641-K645 VanDerWaalsContact O-CG 3.26Å; S641-K645 WeakPolarHBondContact O-CG 2.98Å; S641-K645 PolarHBondContact O-N 3.13Å; S641-K645 VanDerWaalsContact O-N 3.11Å
642	T	97.5	Very high	96.2	Very high	82 Å²	82	70.2 Å²	70.2	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-39	177	61.8	0	0	0	0	112.6	A638 E639 F640 T646	A638-T642 WeakPolarHBondContact O-CG2 3.35Å; A638-T642 PolarHBondContact O-N 3.42Å; E639-T642 WeakPolarHBondContact CA-OG1 3.25Å; E639-T642 PolarHBondContact O-N 3.39Å; E639-T642 VanDerWaalsContact O-N 3.13Å; E639-T642 PolarHBondContact O-OG1 2.9Å; F640-T642 VanDerWaalsContact C-N 3.3Å; F640-T642 PolarHBondContact O-N 2.83Å; T642-T646 WeakPolarHBondContact O-CB 3.37Å; T642-T646 PolarHBondContact O-N 2.82Å; T642-T646 PolarHBondContact O-OG1 2.98Å
643	L	97.1	Very high	96.3	Very high	25 Å²	25	72.5 Å²	72.5	13%	0.131	37%	0.374	C	S	.	.	H	α-helix	trans	-64.9	-48.7	178.7	-172.2	65.4	0	0	0	111	E639 F640 K645 T646 Y647 F798 D801 K802	E639-L643 WeakPolarHBondContact O-CB 3.25Å; E639-L643 PolarHBondContact O-N 3.46Å; F640-L643 PolarHBondContact O-N 2.83Å; L643-K645 PolarHBondContact O-N 3.14Å; L643-T646 WeakPolarHBondContact O-CB 3.48Å; L643-T646 PolarHBondContact O-N 2.88Å; L643-T646 VanDerWaalsContact O-N 3.16Å; L643-Y647 HydrophobicContact CD1-CD2 3.81Å; L643-Y647 HydrophobicContact CD1-CE2 3.64Å; L643-Y647 HydrophobicContact CG-CD2 4.15Å; L643-Y647 HydrophobicContact CG-CE2 4.34Å; L643-Y647 PolarHBondContact O-N 2.92Å; L643-F798 HydrophobicContact CD2-CD2 4.4Å; L643-F798 HydrophobicContact CD2-CE2 4.26Å; L643-F798 HydrophobicContact CG-CD2 4.13Å; L643-F798 HydrophobicContact CG-CE2 4.05Å; L643-D801 HydrophobicContact CD1-CB 3.94Å; L643-D801 HydrophobicContact CD2-CB 4.04Å; L643-K802 HydrophobicContact CD2-CB 3.98Å
644	T	95.3	Very high	96.5	Very high	53 Å²	53	68.6 Å²	68.6	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-56.6	-51	176	-60.4	0	0	0	0	111	F640 T646 Y647 D648	F640-T644 WeakPolarHBondContact O-CB 3.24Å; F640-T644 PolarHBondContact O-N 3.47Å; F640-T644 PolarHBondContact O-OG1 3.02Å; T644-T646 VanDerWaalsContact C-N 3.27Å; T644-T646 PolarHBondContact O-N 3.17Å; T644-Y647 PolarHBondContact O-N 2.96Å; T644-D648 WeakPolarHBondContact O-CB 3.48Å; T644-D648 VanDerWaalsContact O-CG 3.23Å; T644-D648 PolarHBondContact O-N 2.93Å
645	K	97.3	Very high	96.5	Very high	138 Å²	138	66 Å²	66	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-58.3	-39	177.1	-72.6	169.6	-176.8	168.5	0	112.7	S641 L643 H649	S641-K645 WeakPolarHBondContact O-CB 3.39Å; S641-K645 WeakPolarHBondContact O-CD 3.46Å; S641-K645 VanDerWaalsContact O-CG 3.26Å; S641-K645 WeakPolarHBondContact O-CG 2.98Å; S641-K645 PolarHBondContact O-N 3.13Å; S641-K645 VanDerWaalsContact O-N 3.11Å; L643-K645 PolarHBondContact O-N 3.14Å; K645-H649 WeakPolarHBondContact O-CB 3.32Å; K645-H649 PolarHBondContact O-N 2.88Å
646	T	97.9	Very high	96.6	Very high	68 Å²	68	65.2 Å²	65.2	42%	0.417	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-44.7	179.9	-60	0	0	0	0	111.5	T642 L643 T644 K650	T642-T646 WeakPolarHBondContact O-CB 3.37Å; T642-T646 PolarHBondContact O-N 2.82Å; T642-T646 PolarHBondContact O-OG1 2.98Å; L643-T646 WeakPolarHBondContact O-CB 3.48Å; L643-T646 PolarHBondContact O-N 2.88Å; L643-T646 VanDerWaalsContact O-N 3.16Å; T644-T646 VanDerWaalsContact C-N 3.27Å; T644-T646 PolarHBondContact O-N 3.17Å; T646-K650 WeakPolarHBondContact O-CG 3.3Å; T646-K650 PolarHBondContact O-N 3.2Å; T646-K650 VanDerWaalsContact O-N 3.09Å
647	Y	98.2	Very high	96.7	Very high	11 Å²	11	66 Å²	66	4%	0.043	34%	0.34	C	S	.	.	H	α-helix	trans	-74.6	-37	179.1	-86.5	-83.9	0	0	0	112.7	L643 T644 H649 K650 M651 L794 N797 F798 D801	L643-Y647 HydrophobicContact CD1-CD2 3.81Å; L643-Y647 HydrophobicContact CD1-CE2 3.64Å; L643-Y647 HydrophobicContact CG-CD2 4.15Å; L643-Y647 HydrophobicContact CG-CE2 4.34Å; L643-Y647 PolarHBondContact O-N 2.92Å; T644-Y647 PolarHBondContact O-N 2.96Å; Y647-H649 VanDerWaalsContact C-N 3.29Å; Y647-H649 PolarHBondContact O-N 3.48Å; Y647-K650 HydrophobicContact CD1-CD 4.34Å; Y647-K650 HydrophobicContact CE1-CD 4.44Å; Y647-K650 PolarHBondContact O-N 3.13Å; Y647-M651 WeakPolarHBondContact O-CG 3.37Å; Y647-M651 PolarHBondContact O-N 3.45Å; Y647-L794 HydrophobicContact CD1-CD2 4.44Å; Y647-L794 WeakPolarHBondContact CD1-O 3.49Å; Y647-L794 HydrophobicContact CE1-CD2 4.37Å; Y647-L794 WeakPolarHBondContact CE1-O 3.26Å; Y647-N797 HydrophobicContact CE1-CB 3.83Å; Y647-N797 WeakPolarHBondContact OH-CB 3.09Å; Y647-N797 PolarHBondContact OH-O 3.42Å; Y647-F798 HydrophobicContact CD1-CB 3.72Å; Y647-F798 HydrophobicContact CD2-CB 4.02Å; Y647-F798 AromaticContact CD2-CD2 3.61Å; Y647-F798 HydrophobicContact CD2-CD2 3.61Å; Y647-F798 HydrophobicContact CD2-CG 4.31Å; Y647-F798 HydrophobicContact CE1-CB 4.07Å; Y647-F798 HydrophobicContact CE2-CB 4.32Å; Y647-F798 HydrophobicContact CE2-CD2 4.37Å; Y647-F798 HydrophobicContact CG-CB 3.68Å; Y647-F798 AromaticContact CG-CD2 3.75Å; Y647-F798 HydrophobicContact CG-CD2 3.75Å; Y647-F798 HydrophobicContact CG-CG 4.15Å; Y647-D801 HydrophobicContact CE2-CB 4.35Å; Y647-D801 WeakPolarHBondContact CE2-OD2 3.38Å; Y647-D801 PolarHBondContact OH-OD2 2.91Å
648	D	96.3	Very high	96.8	Very high	83 Å²	83	64 Å²	64	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-56.7	-45.2	170.8	-74.2	-17.5	0	0	0	110.9	T644 M651 E652	T644-D648 WeakPolarHBondContact O-CB 3.48Å; T644-D648 VanDerWaalsContact O-CG 3.23Å; T644-D648 PolarHBondContact O-N 2.93Å; D648-M651 PolarHBondContact O-N 2.84Å; D648-M651 VanDerWaalsContact OD1-CE 3.27Å; D648-M651 WeakPolarHBondContact OD1-CE 3.3Å; D648-E652 WeakPolarHBondContact O-CB 3.1Å; D648-E652 PolarHBondContact O-N 2.87Å
649	H	97.8	Very high	96.7	Very high	105 Å²	105	67.7 Å²	67.7	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-43.2	176.6	-173.9	58.9	0	0	0	112.7	K645 Y647 M651 E652 I653	K645-H649 WeakPolarHBondContact O-CB 3.32Å; K645-H649 PolarHBondContact O-N 2.88Å; Y647-H649 VanDerWaalsContact C-N 3.29Å; Y647-H649 PolarHBondContact O-N 3.48Å; H649-M651 VanDerWaalsContact C-N 3.35Å; H649-M651 PolarHBondContact O-N 2.86Å; H649-E652 WeakPolarHBondContact O-CB 3.35Å; H649-E652 PolarHBondContact O-N 3.21Å; H649-I653 WeakPolarHBondContact O-CG1 3.22Å; H649-I653 PolarHBondContact O-N 2.92Å
650	K	98.3	Very high	96.7	Very high	88 Å²	88	68.2 Å²	68.2	38%	0.383	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-43.4	175	-72.9	175.9	-178.3	177.3	0	111.7	T646 Y647 I653 A654 L794	T646-K650 WeakPolarHBondContact O-CG 3.3Å; T646-K650 PolarHBondContact O-N 3.2Å; T646-K650 VanDerWaalsContact O-N 3.09Å; Y647-K650 HydrophobicContact CD1-CD 4.34Å; Y647-K650 HydrophobicContact CE1-CD 4.44Å; Y647-K650 PolarHBondContact O-N 3.13Å; K650-I653 PolarHBondContact O-N 2.79Å; K650-A654 PolarHBondContact O-N 2.77Å; K650-L794 HydrophobicContact CB-CD1 4.13Å; K650-L794 HydrophobicContact CB-CD2 3.96Å; K650-L794 HydrophobicContact CD-CD2 4.01Å
651	M	97.4	Very high	96.7	Very high	39 Å²	39	70.7 Å²	70.7	19%	0.192	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-39.8	176.4	-71	-174.5	-67.1	0	0	111.6	Y647 D648 H649 I653 A654 I655 I791 L794 R795	Y647-M651 WeakPolarHBondContact O-CG 3.37Å; Y647-M651 PolarHBondContact O-N 3.45Å; D648-M651 PolarHBondContact O-N 2.84Å; D648-M651 VanDerWaalsContact OD1-CE 3.27Å; D648-M651 WeakPolarHBondContact OD1-CE 3.3Å; H649-M651 VanDerWaalsContact C-N 3.35Å; H649-M651 PolarHBondContact O-N 2.86Å; M651-I653 VanDerWaalsContact C-N 3.32Å; M651-I653 PolarHBondContact O-N 2.78Å; M651-A654 PolarHBondContact O-N 2.89Å; M651-I655 VanDerWaalsContact O-CG1 3.27Å; M651-I655 WeakPolarHBondContact O-CG1 2.93Å; M651-I655 PolarHBondContact O-N 3.33Å; M651-I791 HydrophobicContact CB-CD1 4.01Å; M651-I791 HydrophobicContact CG-CD1 4.13Å; M651-L794 HydrophobicContact CG-CB 4.13Å; M651-L794 HydrophobicContact CG-CD1 4.04Å; M651-R795 HydrophobicContact SD-CG 4.19Å
652	E	96.5	Very high	96.5	Very high	94 Å²	94	69.1 Å²	69.1	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-39.4	175.5	-162.7	-163.8	151.2	0	0	112.1	D648 H649 I655 R656	D648-E652 WeakPolarHBondContact O-CB 3.1Å; D648-E652 PolarHBondContact O-N 2.87Å; H649-E652 WeakPolarHBondContact O-CB 3.35Å; H649-E652 PolarHBondContact O-N 3.21Å; E652-I655 PolarHBondContact O-N 3.25Å; E652-R656 WeakPolarHBondContact O-CB 3.47Å; E652-R656 PolarHBondContact O-N 3.46Å; E652-R656 IonicContact OE1-CZ 3.74Å; E652-R656 IonicContact OE1-NH1 3.78Å; E652-R656 IonicContact OE1-NH2 3.74Å; E652-R656 PolarHBondContact OE1-NH2 2.92Å
653	I	97.5	Very high	96.4	Very high	63 Å²	63	69.7 Å²	69.7	32%	0.323	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-47.9	173	-68.6	165.9	0	0	0	110.7	H649 K650 M651 I655 R656 N657	H649-I653 WeakPolarHBondContact O-CG1 3.22Å; H649-I653 PolarHBondContact O-N 2.92Å; K650-I653 PolarHBondContact O-N 2.79Å; M651-I653 VanDerWaalsContact C-N 3.32Å; M651-I653 PolarHBondContact O-N 2.78Å; I653-I655 VanDerWaalsContact C-N 3.33Å; I653-I655 PolarHBondContact O-N 2.95Å; I653-R656 WeakPolarHBondContact O-CB 3.5Å; I653-R656 PolarHBondContact O-N 2.59Å; I653-R656 VanDerWaalsContact O-N 3.13Å; I653-N657 WeakPolarHBondContact O-CB 3.36Å; I653-N657 VanDerWaalsContact O-CG 3.28Å; I653-N657 PolarHBondContact O-N 3.37Å
654	A	96.9	Very high	96.3	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-43.5	177.3	0	0	0	0	0	111.9	K650 M651 R656 N657 Y658 E790 I791 L794	K650-A654 PolarHBondContact O-N 2.77Å; M651-A654 PolarHBondContact O-N 2.89Å; A654-R656 PolarHBondContact O-N 3.46Å; A654-N657 PolarHBondContact O-N 3.25Å; A654-Y658 WeakPolarHBondContact O-CB 3.39Å; A654-Y658 PolarHBondContact O-N 2.99Å; A654-E790 HydrophobicContact CB-CG 4.07Å; A654-I791 HydrophobicContact CB-CD1 3.8Å; A654-L794 HydrophobicContact CB-CD1 4.28Å
655	I	95.1	Very high	96.3	Very high	53 Å²	53	74.6 Å²	74.6	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-43.8	174.6	-67.3	164.8	0	0	0	111.2	M651 E652 I653 Y658 K659 Y787 I791	M651-I655 VanDerWaalsContact O-CG1 3.27Å; M651-I655 WeakPolarHBondContact O-CG1 2.93Å; M651-I655 PolarHBondContact O-N 3.33Å; E652-I655 PolarHBondContact O-N 3.25Å; I653-I655 VanDerWaalsContact C-N 3.33Å; I653-I655 PolarHBondContact O-N 2.95Å; I655-Y658 PolarHBondContact O-N 3.48Å; I655-K659 HydrophobicContact CG2-CD 4.39Å; I655-K659 WeakPolarHBondContact O-CG 3.34Å; I655-K659 PolarHBondContact O-N 3.32Å; I655-Y787 HydrophobicContact CB-CE2 4.45Å; I655-Y787 HydrophobicContact CG1-CE2 3.83Å; I655-I791 HydrophobicContact CG1-CD1 4.25Å
656	R	96.5	Very high	96.1	Very high	110 Å²	110	71.3 Å²	71.3	42%	0.415	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-43.7	178.6	-173.4	-176	-71.3	97.9	0	111.2	E652 I653 A654 K659 L660	E652-R656 WeakPolarHBondContact O-CB 3.47Å; E652-R656 PolarHBondContact O-N 3.46Å; E652-R656 IonicContact OE1-CZ 3.74Å; E652-R656 IonicContact OE1-NH1 3.78Å; E652-R656 IonicContact OE1-NH2 3.74Å; E652-R656 PolarHBondContact OE1-NH2 2.92Å; I653-R656 WeakPolarHBondContact O-CB 3.5Å; I653-R656 PolarHBondContact O-N 2.59Å; I653-R656 VanDerWaalsContact O-N 3.13Å; A654-R656 PolarHBondContact O-N 3.46Å; R656-K659 PolarHBondContact O-N 3.46Å; R656-L660 HydrophobicContact CG-CD1 4.34Å; R656-L660 WeakPolarHBondContact O-CG 3.38Å; R656-L660 PolarHBondContact O-N 3.33Å
657	N	97	Very high	96	Very high	64 Å²	64	73.9 Å²	73.9	34%	0.342	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-45.6	176.9	-71.7	-15.8	0	0	0	111.4	I653 A654 K659 L660 Q661	I653-N657 WeakPolarHBondContact O-CB 3.36Å; I653-N657 VanDerWaalsContact O-CG 3.28Å; I653-N657 PolarHBondContact O-N 3.37Å; A654-N657 PolarHBondContact O-N 3.25Å; N657-K659 PolarHBondContact O-N 2.88Å; N657-L660 PolarHBondContact O-N 3.5Å; N657-Q661 WeakPolarHBondContact O-CG 3.41Å; N657-Q661 PolarHBondContact O-N 2.72Å
658	Y	95.4	Very high	95.9	Very high	47 Å²	47	77.6 Å²	77.6	18%	0.184	36%	0.357	C	S	.	.	H	α-helix	trans	-57.1	-47.8	174.4	169.8	-110.4	0	0	0	112.1	A654 I655 L660 Q661 M662 I783 H784 Y787	A654-Y658 WeakPolarHBondContact O-CB 3.39Å; A654-Y658 PolarHBondContact O-N 2.99Å; I655-Y658 PolarHBondContact O-N 3.48Å; Y658-L660 VanDerWaalsContact C-N 3.34Å; Y658-L660 PolarHBondContact O-N 2.86Å; Y658-Q661 PolarHBondContact O-N 2.96Å; Y658-M662 HydrophobicContact CD2-CG 4.05Å; Y658-M662 HydrophobicContact CE1-CG 4.2Å; Y658-M662 HydrophobicContact CE2-CG 3.56Å; Y658-M662 HydrophobicContact CE2-SD 3.95Å; Y658-M662 WeakPolarHBondContact O-CB 3.48Å; Y658-M662 WeakPolarHBondContact O-CG 3.18Å; Y658-M662 PolarHBondContact O-N 3.41Å; Y658-I783 HydrophobicContact CD2-CG2 3.87Å; Y658-I783 HydrophobicContact CE2-CG2 4.07Å; Y658-H784 HydrophobicContact CE2-CB 4.15Å; Y658-H784 AromaticContact CE2-ND1 3.81Å; Y658-H784 AromaticContact CZ-ND1 3.61Å; Y658-H784 PolarHBondContact OH-ND1 3.47Å; Y658-Y787 VanDerWaalsContact CB-CD2 3.49Å; Y658-Y787 HydrophobicContact CD1-CD1 4.37Å; Y658-Y787 HydrophobicContact CD1-CD2 4.28Å; Y658-Y787 HydrophobicContact CD1-CE2 4.48Å; Y658-Y787 HydrophobicContact CD1-CG 4.21Å; Y658-Y787 HydrophobicContact CD2-CD1 4.29Å; Y658-Y787 HydrophobicContact CD2-CD2 4.37Å; Y658-Y787 AromaticContact CD2-CG 3.81Å; Y658-Y787 HydrophobicContact CD2-CG 3.81Å; Y658-Y787 HydrophobicContact CE2-CG 4.46Å; Y658-Y787 HydrophobicContact CG-CD1 4.21Å; Y658-Y787 AromaticContact CG-CD2 3.8Å; Y658-Y787 HydrophobicContact CG-CD2 3.8Å; Y658-Y787 HydrophobicContact CG-CE2 4.42Å; Y658-Y787 AromaticContact CG-CG 3.67Å; Y658-Y787 HydrophobicContact CG-CG 3.67Å
659	K	94.3	Very high	95.8	Very high	132 Å²	132	74.5 Å²	74.5	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-59.5	-42.9	177.5	-74	177.3	180	179.2	0	112.4	I655 R656 N657 M662 E663	I655-K659 HydrophobicContact CG2-CD 4.39Å; I655-K659 WeakPolarHBondContact O-CG 3.34Å; I655-K659 PolarHBondContact O-N 3.32Å; R656-K659 PolarHBondContact O-N 3.46Å; N657-K659 PolarHBondContact O-N 2.88Å; K659-M662 PolarHBondContact O-N 3.09Å; K659-E663 PolarHBondContact O-N 3.17Å
660	L	96.3	Very high	95.6	Very high	94 Å²	94	73.4 Å²	73.4	49%	0.492	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-40	178.3	-72.1	171.3	0	0	0	112.4	R656 N657 Y658 R664	R656-L660 HydrophobicContact CG-CD1 4.34Å; R656-L660 WeakPolarHBondContact O-CG 3.38Å; R656-L660 PolarHBondContact O-N 3.33Å; N657-L660 PolarHBondContact O-N 3.5Å; Y658-L660 VanDerWaalsContact C-N 3.34Å; Y658-L660 PolarHBondContact O-N 2.86Å; L660-R664 WeakPolarHBondContact O-CB 3.26Å; L660-R664 PolarHBondContact O-N 3.02Å
661	Q	96.3	Very high	95.4	Very high	82 Å²	82	73.8 Å²	73.8	38%	0.383	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-42.5	175.3	-72.7	-168.6	65.4	0	0	111.7	N657 Y658 R664 L665 I783	N657-Q661 WeakPolarHBondContact O-CG 3.41Å; N657-Q661 PolarHBondContact O-N 2.72Å; Y658-Q661 PolarHBondContact O-N 2.96Å; Q661-R664 PolarHBondContact O-N 2.98Å; Q661-L665 WeakPolarHBondContact O-CB 3.47Å; Q661-L665 PolarHBondContact O-N 3.35Å; Q661-I783 HydrophobicContact CB-CD1 4.41Å; Q661-I783 HydrophobicContact CB-CG2 3.9Å
662	M	92.5	Very high	95.3	Very high	20 Å²	20	75 Å²	75	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-46.2	175.4	-75.1	-55.3	-47.6	0	0	112.2	Y658 K659 R664 L665 D666 R780 I783	Y658-M662 HydrophobicContact CD2-CG 4.05Å; Y658-M662 HydrophobicContact CE1-CG 4.2Å; Y658-M662 HydrophobicContact CE2-CG 3.56Å; Y658-M662 HydrophobicContact CE2-SD 3.95Å; Y658-M662 WeakPolarHBondContact O-CB 3.48Å; Y658-M662 WeakPolarHBondContact O-CG 3.18Å; Y658-M662 PolarHBondContact O-N 3.41Å; K659-M662 PolarHBondContact O-N 3.09Å; M662-R664 VanDerWaalsContact C-N 3.3Å; M662-R664 PolarHBondContact O-N 3.32Å; M662-L665 PolarHBondContact O-N 2.86Å; M662-D666 WeakPolarHBondContact O-CB 3.46Å; M662-D666 VanDerWaalsContact O-CG 3.28Å; M662-D666 PolarHBondContact O-N 3.12Å; M662-R780 HydrophobicContact CE-CB 4.48Å; M662-R780 HydrophobicContact CE-CG 3.8Å; M662-R780 HydrophobicContact SD-CG 4.14Å; M662-I783 HydrophobicContact SD-CG2 4.22Å
663	E	93.8	Very high	95.1	Very high	95 Å²	95	71 Å²	71	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-38.8	177.2	-171.4	-171.1	162.6	0	0	112	K659 D666 K667	K659-E663 PolarHBondContact O-N 3.17Å; E663-D666 PolarHBondContact O-N 3.42Å; E663-K667 WeakPolarHBondContact O-CG 3.48Å; E663-K667 PolarHBondContact O-N 3.41Å; E663-K667 WeakPolarHBondContact OE1-CE 3.48Å; E663-K667 IonicContact OE1-NZ 3.71Å; E663-K667 PolarHBondContact OE1-NZ 3.37Å
664	R	95.6	Very high	94.9	Very high	170 Å²	170	73.3 Å²	73.3	64%	0.642	34%	0.338	S	S	*	.	H	α-helix	trans	-63	-48	175.2	-175.5	-177.2	-64.4	180	-0.1	111.1	L660 Q661 M662 D666 K667 E668	L660-R664 WeakPolarHBondContact O-CB 3.26Å; L660-R664 PolarHBondContact O-N 3.02Å; Q661-R664 PolarHBondContact O-N 2.98Å; M662-R664 VanDerWaalsContact C-N 3.3Å; M662-R664 PolarHBondContact O-N 3.32Å; R664-D666 VanDerWaalsContact C-N 3.31Å; R664-D666 PolarHBondContact O-N 3.3Å; R664-K667 PolarHBondContact O-N 3.01Å; R664-E668 WeakPolarHBondContact CG-OE1 3.47Å; R664-E668 WeakPolarHBondContact O-CG 3.47Å; R664-E668 PolarHBondContact O-N 2.76Å
665	L	95.7	Very high	94.8	Very high	10 Å²	10	79.7 Å²	79.7	5%	0.052	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-40.6	178.6	-176.4	67.8	0	0	0	111.7	Q661 M662 E668 F669 Y776 R779 R780 I783	Q661-L665 WeakPolarHBondContact O-CB 3.47Å; Q661-L665 PolarHBondContact O-N 3.35Å; M662-L665 PolarHBondContact O-N 2.86Å; L665-E668 PolarHBondContact O-N 3.08Å; L665-F669 WeakPolarHBondContact O-CB 3.46Å; L665-F669 PolarHBondContact O-N 3.32Å; L665-Y776 HydrophobicContact CD1-CD2 4.23Å; L665-Y776 HydrophobicContact CD2-CD2 3.93Å; L665-Y776 HydrophobicContact CD2-CE2 3.86Å; L665-Y776 HydrophobicContact CG-CD2 3.69Å; L665-Y776 HydrophobicContact CG-CE2 3.71Å; L665-R779 HydrophobicContact CD1-CB 3.89Å; L665-R779 HydrophobicContact CD2-CB 4.09Å; L665-R780 HydrophobicContact CD2-CB 3.83Å; L665-I783 HydrophobicContact CB-CD1 4.47Å; L665-I783 HydrophobicContact CD2-CD1 4.07Å
666	D	93.7	Very high	94.7	Very high	70 Å²	70	77.4 Å²	77.4	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.3	-72.4	-16.4	0	0	0	111.9	M662 E663 R664 F669 E670 Y776	M662-D666 WeakPolarHBondContact O-CB 3.46Å; M662-D666 VanDerWaalsContact O-CG 3.28Å; M662-D666 PolarHBondContact O-N 3.12Å; E663-D666 PolarHBondContact O-N 3.42Å; R664-D666 VanDerWaalsContact C-N 3.31Å; R664-D666 PolarHBondContact O-N 3.3Å; D666-F669 PolarHBondContact O-N 3.39Å; D666-E670 WeakPolarHBondContact O-CB 3.37Å; D666-E670 PolarHBondContact O-N 3.02Å; D666-Y776 VanDerWaalsContact OD1-CE2 3.28Å; D666-Y776 WeakPolarHBondContact OD1-CE2 3.39Å; D666-Y776 VanDerWaalsContact OD1-CZ 3.29Å; D666-Y776 PolarHBondContact OD1-OH 2.76Å
667	K	95.1	Very high	94.3	Very high	121 Å²	121	78.5 Å²	78.5	53%	0.526	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-44.6	174.9	-75.2	174.2	-175.1	168.6	0	112	E663 R664 F669 E670 V671	E663-K667 WeakPolarHBondContact O-CG 3.48Å; E663-K667 PolarHBondContact O-N 3.41Å; E663-K667 WeakPolarHBondContact OE1-CE 3.48Å; E663-K667 IonicContact OE1-NZ 3.71Å; E663-K667 PolarHBondContact OE1-NZ 3.37Å; R664-K667 PolarHBondContact O-N 3.01Å; K667-F669 VanDerWaalsContact C-N 3.33Å; K667-F669 PolarHBondContact O-N 3.12Å; K667-E670 PolarHBondContact O-N 3.21Å; K667-V671 WeakPolarHBondContact O-CB 3.35Å; K667-V671 VanDerWaalsContact O-CG2 3.26Å; K667-V671 WeakPolarHBondContact O-CG2 3.5Å; K667-V671 PolarHBondContact O-N 3.36Å
668	E	95.1	Very high	94.1	Very high	90 Å²	90	78.8 Å²	78.8	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-58.3	-46.4	175.9	-73.9	173.6	-162.3	0	0	111.1	R664 L665 V671 E672 R779	R664-E668 WeakPolarHBondContact CG-OE1 3.47Å; R664-E668 WeakPolarHBondContact O-CG 3.47Å; R664-E668 PolarHBondContact O-N 2.76Å; L665-E668 PolarHBondContact O-N 3.08Å; E668-V671 PolarHBondContact O-N 3.02Å; E668-E672 PolarHBondContact O-N 2.85Å; E668-R779 IonicContact OE2-NH1 3.01Å; E668-R779 PolarHBondContact OE2-NH1 3.24Å
669	F	94.5	Very high	94	Very high	17 Å²	17	79.3 Å²	79.3	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-45.9	177.1	178.5	-96.5	0	0	0	112.4	L665 D666 K667 V671 E672 M673 L772 H773 Y776	L665-F669 WeakPolarHBondContact O-CB 3.46Å; L665-F669 PolarHBondContact O-N 3.32Å; D666-F669 PolarHBondContact O-N 3.39Å; K667-F669 VanDerWaalsContact C-N 3.33Å; K667-F669 PolarHBondContact O-N 3.12Å; F669-V671 PolarHBondContact O-N 3.36Å; F669-E672 PolarHBondContact O-N 2.88Å; F669-M673 HydrophobicContact CD1-CG 4.13Å; F669-M673 HydrophobicContact CE1-CG 3.6Å; F669-M673 HydrophobicContact CE1-SD 4.47Å; F669-M673 HydrophobicContact CE2-CG 4.08Å; F669-M673 HydrophobicContact CE2-SD 4.41Å; F669-M673 HydrophobicContact CZ-CG 3.56Å; F669-M673 HydrophobicContact CZ-SD 3.91Å; F669-M673 WeakPolarHBondContact O-CB 3.38Å; F669-M673 VanDerWaalsContact O-CG 3.28Å; F669-M673 WeakPolarHBondContact O-CG 3.34Å; F669-M673 PolarHBondContact O-N 3.12Å; F669-L772 HydrophobicContact CD2-CD1 4.28Å; F669-L772 HydrophobicContact CD2-CD2 4.09Å; F669-L772 HydrophobicContact CD2-CG 3.81Å; F669-L772 HydrophobicContact CE2-CD2 3.94Å; F669-L772 HydrophobicContact CE2-CG 3.71Å; F669-H773 AromaticContact CE1-CE1 3.95Å; F669-H773 AromaticContact CE2-CE1 3.8Å; F669-H773 AromaticContact CE2-ND1 3.82Å; F669-H773 AromaticContact CZ-CE1 3.18Å; F669-H773 WeakPolarHBondContact CZ-CE1 3.34Å; F669-H773 AromaticContact CZ-ND1 3.68Å; F669-H773 AromaticContact CZ-NE2 3.45Å; F669-H773 WeakPolarHBondContact CZ-NE2 3.02Å; F669-Y776 HydrophobicContact CB-CD2 3.58Å; F669-Y776 HydrophobicContact CB-CE2 4.02Å; F669-Y776 HydrophobicContact CB-CG 4.31Å; F669-Y776 HydrophobicContact CD2-CD1 4.49Å; F669-Y776 AromaticContact CD2-CD2 3.89Å; F669-Y776 HydrophobicContact CD2-CD2 3.89Å; F669-Y776 AromaticContact CD2-CG 3.72Å; F669-Y776 HydrophobicContact CD2-CG 3.72Å; F669-Y776 HydrophobicContact CE2-CG 4.32Å; F669-Y776 AromaticContact CG-CD2 3.79Å; F669-Y776 HydrophobicContact CG-CD2 3.79Å; F669-Y776 HydrophobicContact CG-CE2 4.3Å; F669-Y776 HydrophobicContact CG-CG 4.05Å
670	E	93.2	Very high	93.7	Very high	82 Å²	82	73.6 Å²	73.6	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-37.8	179.4	-176.6	61.4	-158.6	0	0	112.3	D666 K667 K674	D666-E670 WeakPolarHBondContact O-CB 3.37Å; D666-E670 PolarHBondContact O-N 3.02Å; K667-E670 PolarHBondContact O-N 3.21Å; E670-K674 WeakPolarHBondContact O-CB 3.33Å; E670-K674 WeakPolarHBondContact O-CG 3.36Å; E670-K674 PolarHBondContact O-N 3.34Å; E670-K674 WeakPolarHBondContact OE1-CE 3.32Å; E670-K674 IonicContact OE1-NZ 3.12Å
671	V	94.9	Very high	93.4	Very high	96 Å²	96	72.6 Å²	72.6	58%	0.582	34%	0.34	S	S	*	.	H	α-helix	trans	-65	-46.1	175.5	168.9	0	0	0	0	110.8	K667 E668 F669 K674 R675	K667-V671 WeakPolarHBondContact O-CB 3.35Å; K667-V671 VanDerWaalsContact O-CG2 3.26Å; K667-V671 WeakPolarHBondContact O-CG2 3.5Å; K667-V671 PolarHBondContact O-N 3.36Å; E668-V671 PolarHBondContact O-N 3.02Å; F669-V671 PolarHBondContact O-N 3.36Å; V671-K674 PolarHBondContact O-N 3.39Å; V671-R675 WeakPolarHBondContact O-CB 3.23Å; V671-R675 PolarHBondContact O-N 3.36Å
672	E	94.3	Very high	93.1	Very high	64 Å²	64	75.3 Å²	75.3	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-68.9	-37.9	179.9	-167.4	56.8	-147.9	0	0	111.7	E668 F669 K674 R675 I676 L772	E668-E672 PolarHBondContact O-N 2.85Å; F669-E672 PolarHBondContact O-N 2.88Å; E672-K674 PolarHBondContact O-N 3.19Å; E672-R675 WeakPolarHBondContact O-CB 3.21Å; E672-R675 PolarHBondContact O-N 3.11Å; E672-R675 VanDerWaalsContact O-N 3.17Å; E672-R675 WeakPolarHBondContact OE2-CD 3.42Å; E672-R675 IonicContact OE2-NH1 3.02Å; E672-I676 WeakPolarHBondContact O-CG1 3.24Å; E672-I676 PolarHBondContact O-N 3.32Å; E672-L772 HydrophobicContact CB-CD1 4.03Å; E672-L772 HydrophobicContact CB-CD2 3.91Å; E672-L772 HydrophobicContact CG-CD1 3.74Å; E672-L772 HydrophobicContact CG-CD2 3.84Å; E672-L772 HydrophobicContact CG-CG 4.42Å
673	M	92.9	Very high	93	Very high	12 Å²	12	76.8 Å²	76.8	6%	0.059	36%	0.357	C	S	.	.	H	α-helix	trans	-58.6	-44.6	170.9	-80.1	-65.1	-67.3	0	0	112.3	F669 R677 I769 L772	F669-M673 HydrophobicContact CD1-CG 4.13Å; F669-M673 HydrophobicContact CE1-CG 3.6Å; F669-M673 HydrophobicContact CE1-SD 4.47Å; F669-M673 HydrophobicContact CE2-CG 4.08Å; F669-M673 HydrophobicContact CE2-SD 4.41Å; F669-M673 HydrophobicContact CZ-CG 3.56Å; F669-M673 HydrophobicContact CZ-SD 3.91Å; F669-M673 WeakPolarHBondContact O-CB 3.38Å; F669-M673 VanDerWaalsContact O-CG 3.28Å; F669-M673 WeakPolarHBondContact O-CG 3.34Å; F669-M673 PolarHBondContact O-N 3.12Å; M673-R677 WeakPolarHBondContact O-CG 3.3Å; M673-R677 PolarHBondContact O-N 2.91Å; M673-I769 HydrophobicContact CE-CD1 4.24Å; M673-I769 HydrophobicContact CE-CG1 4.19Å; M673-I769 HydrophobicContact CE-CG2 4.05Å; M673-I769 HydrophobicContact SD-CB 4.47Å; M673-I769 HydrophobicContact SD-CG1 4.05Å; M673-I769 HydrophobicContact SD-CG2 4.03Å; M673-L772 HydrophobicContact CG-CD2 3.73Å; M673-L772 HydrophobicContact SD-CD2 3.74Å
674	K	93.6	Very high	92.7	Very high	111 Å²	111	74.1 Å²	74.1	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-42	174.3	-77.5	171.9	179.4	162.3	0	111.2	E670 V671 E672 R677 T678	E670-K674 WeakPolarHBondContact O-CB 3.33Å; E670-K674 WeakPolarHBondContact O-CG 3.36Å; E670-K674 PolarHBondContact O-N 3.34Å; E670-K674 WeakPolarHBondContact OE1-CE 3.32Å; E670-K674 IonicContact OE1-NZ 3.12Å; V671-K674 PolarHBondContact O-N 3.39Å; E672-K674 PolarHBondContact O-N 3.19Å; K674-R677 PolarHBondContact O-N 3.34Å; K674-T678 WeakPolarHBondContact O-CG2 3.32Å; K674-T678 PolarHBondContact O-N 3.17Å; K674-T678 PolarHBondContact O-OG1 3.33Å
675	R	94.6	Very high	92.4	Very high	133 Å²	133	74.5 Å²	74.5	50%	0.502	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-52.4	177.2	-174.8	-175.2	179.3	167.6	1.6	111.2	V671 E672 R677 T678 E679	V671-R675 WeakPolarHBondContact O-CB 3.23Å; V671-R675 PolarHBondContact O-N 3.36Å; E672-R675 WeakPolarHBondContact O-CB 3.21Å; E672-R675 PolarHBondContact O-N 3.11Å; E672-R675 VanDerWaalsContact O-N 3.17Å; E672-R675 WeakPolarHBondContact OE2-CD 3.42Å; E672-R675 IonicContact OE2-NH1 3.02Å; R675-R677 VanDerWaalsContact C-N 3.28Å; R675-R677 PolarHBondContact O-N 3.49Å; R675-T678 PolarHBondContact O-N 3.4Å; R675-T678 VanDerWaalsContact O-N 3.08Å; R675-T678 PolarHBondContact O-OG1 3.26Å; R675-E679 HydrophobicContact CG-CG 4.35Å; R675-E679 WeakPolarHBondContact CG-OE1 3.28Å; R675-E679 IonicContact CZ-OE1 3.7Å; R675-E679 IonicContact NE-OE1 3.97Å; R675-E679 PolarHBondContact NE-OE1 3.47Å; R675-E679 IonicContact NH2-OE1 2.7Å; R675-E679 WeakPolarHBondContact O-CB 3.44Å; R675-E679 WeakPolarHBondContact O-CG 3.35Å; R675-E679 PolarHBondContact O-N 2.83Å
676	I	92.3	Very high	92.1	Very high	6 Å²	6	77.1 Å²	77.1	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-52.7	-47.1	176.3	-67.7	168	0	0	0	110.5	E672 E679 T680 M765 R768 I769 L772	E672-I676 WeakPolarHBondContact O-CG1 3.24Å; E672-I676 PolarHBondContact O-N 3.32Å; I676-E679 PolarHBondContact O-N 2.86Å; I676-T680 VanDerWaalsContact O-CG2 3.28Å; I676-T680 WeakPolarHBondContact O-CG2 3.3Å; I676-T680 PolarHBondContact O-N 3.33Å; I676-T680 PolarHBondContact O-OG1 2.8Å; I676-M765 HydrophobicContact CG2-CG 3.98Å; I676-R768 HydrophobicContact CD1-CB 4.1Å; I676-I769 HydrophobicContact CD1-CG1 4.46Å; I676-I769 HydrophobicContact CG2-CG1 4.21Å; I676-L772 HydrophobicContact CD1-CD2 3.86Å
677	R	89.9	Confident	92	Very high	132 Å²	132	75.4 Å²	75.4	50%	0.498	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-40.2	178.7	-69.6	175.6	-175	169.7	4.4	113.5	M673 K674 R675 T680 S681	M673-R677 WeakPolarHBondContact O-CG 3.3Å; M673-R677 PolarHBondContact O-N 2.91Å; K674-R677 PolarHBondContact O-N 3.34Å; R675-R677 VanDerWaalsContact C-N 3.28Å; R675-R677 PolarHBondContact O-N 3.49Å; R677-T680 WeakPolarHBondContact CA-OG1 3.22Å; R677-T680 PolarHBondContact O-OG1 3.46Å; R677-S681 WeakPolarHBondContact O-CB 3.36Å; R677-S681 PolarHBondContact O-N 3.35Å; R677-S681 PolarHBondContact O-OG 2.9Å
678	T	92.1	Very high	91.6	Very high	71 Å²	71	71.3 Å²	71.3	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-71.1	-37.7	178.4	61.1	0	0	0	0	112	K674 R675 S681 K682	K674-T678 WeakPolarHBondContact O-CG2 3.32Å; K674-T678 PolarHBondContact O-N 3.17Å; K674-T678 PolarHBondContact O-OG1 3.33Å; R675-T678 PolarHBondContact O-N 3.4Å; R675-T678 VanDerWaalsContact O-N 3.08Å; R675-T678 PolarHBondContact O-OG1 3.26Å; T678-S681 PolarHBondContact O-N 2.78Å; T678-K682 VanDerWaalsContact O-CG 3.27Å; T678-K682 WeakPolarHBondContact O-CG 3.48Å; T678-K682 PolarHBondContact O-N 3.09Å
679	E	92.2	Very high	91.3	Very high	58 Å²	58	70.7 Å²	70.7	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175	-74.4	179.2	-174.3	0	0	111	R675 I676 S681 K682 E683 R768	R675-E679 HydrophobicContact CG-CG 4.35Å; R675-E679 WeakPolarHBondContact CG-OE1 3.28Å; R675-E679 IonicContact CZ-OE1 3.7Å; R675-E679 IonicContact NE-OE1 3.97Å; R675-E679 PolarHBondContact NE-OE1 3.47Å; R675-E679 IonicContact NH2-OE1 2.7Å; R675-E679 WeakPolarHBondContact O-CB 3.44Å; R675-E679 WeakPolarHBondContact O-CG 3.35Å; R675-E679 PolarHBondContact O-N 2.83Å; I676-E679 PolarHBondContact O-N 2.86Å; E679-S681 PolarHBondContact O-N 3.48Å; E679-K682 WeakPolarHBondContact O-CB 3.37Å; E679-K682 PolarHBondContact O-N 2.86Å; E679-E683 WeakPolarHBondContact O-CG 3.46Å; E679-E683 PolarHBondContact O-N 3.33Å; E679-R768 IonicContact OE2-NH1 2.78Å
680	T	89.9	Confident	91.1	Very high	12 Å²	12	77.4 Å²	77.4	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-41.3	176.4	55.8	0	0	0	0	111.8	I676 R677 K682 E683 E684 Q761 M765	I676-T680 VanDerWaalsContact O-CG2 3.28Å; I676-T680 WeakPolarHBondContact O-CG2 3.3Å; I676-T680 PolarHBondContact O-N 3.33Å; I676-T680 PolarHBondContact O-OG1 2.8Å; R677-T680 WeakPolarHBondContact CA-OG1 3.22Å; R677-T680 PolarHBondContact O-OG1 3.46Å; T680-K682 VanDerWaalsContact C-N 3.32Å; T680-K682 PolarHBondContact O-N 2.79Å; T680-E683 WeakPolarHBondContact O-CB 3.3Å; T680-E683 PolarHBondContact O-N 2.9Å; T680-E684 PolarHBondContact O-N 2.82Å; T680-Q761 PolarHBondContact O-NE2 3.2Å; T680-M765 HydrophobicContact CG2-CB 3.88Å; T680-M765 HydrophobicContact CG2-CG 3.85Å; T680-M765 HydrophobicContact CG2-SD 3.97Å
681	S	88.1	Confident	90.8	Very high	72 Å²	72	73.6 Å²	73.6	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-37.9	174.8	-63.9	0	0	0	0	112.6	R677 T678 E679 E684 R685	R677-S681 WeakPolarHBondContact O-CB 3.36Å; R677-S681 PolarHBondContact O-N 3.35Å; R677-S681 PolarHBondContact O-OG 2.9Å; T678-S681 PolarHBondContact O-N 2.78Å; E679-S681 PolarHBondContact O-N 3.48Å; S681-E684 PolarHBondContact O-N 3.44Å; S681-R685 PolarHBondContact O-N 2.81Å; S681-R685 VanDerWaalsContact O-N 3.11Å
682	K	91.5	Very high	90.4	Very high	139 Å²	139	74.2 Å²	74.2	60%	0.604	34%	0.335	S	S	*	.	H	α-helix	trans	-65.6	-45.1	173.1	-74	170.7	-177.1	176.7	0	111.4	T678 E679 T680 E684 R685 T686	T678-K682 VanDerWaalsContact O-CG 3.27Å; T678-K682 WeakPolarHBondContact O-CG 3.48Å; T678-K682 PolarHBondContact O-N 3.09Å; E679-K682 WeakPolarHBondContact O-CB 3.37Å; E679-K682 PolarHBondContact O-N 2.86Å; T680-K682 VanDerWaalsContact C-N 3.32Å; T680-K682 PolarHBondContact O-N 2.79Å; K682-E684 VanDerWaalsContact C-N 3.31Å; K682-E684 PolarHBondContact O-N 2.82Å; K682-R685 PolarHBondContact O-N 2.84Å; K682-T686 WeakPolarHBondContact O-CG2 3.46Å; K682-T686 PolarHBondContact O-N 3.48Å
683	E	89.7	Confident	90.1	Very high	51 Å²	51	76.4 Å²	76.4	24%	0.238	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-45	175.1	-74.5	-175.6	-166.2	0	0	111.4	E679 T680 R685 T686 F687 R764	E679-E683 WeakPolarHBondContact O-CG 3.46Å; E679-E683 PolarHBondContact O-N 3.33Å; T680-E683 WeakPolarHBondContact O-CB 3.3Å; T680-E683 PolarHBondContact O-N 2.9Å; E683-R685 PolarHBondContact O-N 3.31Å; E683-T686 PolarHBondContact O-N 3.35Å; E683-T686 PolarHBondContact O-OG1 2.7Å; E683-F687 PolarHBondContact O-N 2.76Å; E683-R764 IonicContact OE1-NH1 3.02Å; E683-R764 IonicContact OE2-CZ 2.78Å; E683-R764 VanDerWaalsContact OE2-CZ 3.32Å; E683-R764 IonicContact OE2-NH1 3.66Å; E683-R764 PolarHBondContact OE2-NH1 2.65Å; E683-R764 IonicContact OE2-NH2 2.73Å; E683-R764 PolarHBondContact OE2-NH2 2.69Å
684	E	88.4	Confident	89.9	Confident	40 Å²	40	79.1 Å²	79.1	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-59.4	-46.9	177.2	-169.8	-171.6	158.7	0	0	111.3	T680 S681 K682 T686 F687 K688 I717 F757	T680-E684 PolarHBondContact O-N 2.82Å; S681-E684 PolarHBondContact O-N 3.44Å; K682-E684 VanDerWaalsContact C-N 3.31Å; K682-E684 PolarHBondContact O-N 2.82Å; E684-T686 PolarHBondContact O-N 3.03Å; E684-F687 PolarHBondContact O-N 3.47Å; E684-K688 WeakPolarHBondContact O-CG 3.28Å; E684-K688 PolarHBondContact O-N 2.87Å; E684-K688 WeakPolarHBondContact OE1-CE 3.44Å; E684-K688 IonicContact OE1-NZ 2.71Å; E684-K688 PolarHBondContact OE1-NZ 3.23Å; E684-I717 VanDerWaalsContact OE1-CD1 3.28Å; E684-I717 WeakPolarHBondContact OE1-CD1 3Å; E684-F757 HydrophobicContact CB-CE1 4.32Å; E684-F757 HydrophobicContact CG-CE1 4.29Å
685	R	88.6	Confident	89.5	Confident	178 Å²	178	73.9 Å²	73.9	67%	0.672	34%	0.339	S	S	*	.	H	α-helix	trans	-59.6	-47.5	177.9	-172.9	175.9	178.2	178.7	1.1	111.7	S681 K682 E683 F687 K688 D689	S681-R685 PolarHBondContact O-N 2.81Å; S681-R685 VanDerWaalsContact O-N 3.11Å; K682-R685 PolarHBondContact O-N 2.84Å; E683-R685 PolarHBondContact O-N 3.31Å; R685-F687 VanDerWaalsContact C-N 3.3Å; R685-F687 PolarHBondContact O-N 3.37Å; R685-K688 PolarHBondContact O-N 2.87Å; R685-D689 VanDerWaalsContact O-CG 3.28Å; R685-D689 PolarHBondContact O-N 3.3Å
686	T	90.3	Very high	89.2	Confident	65 Å²	65	70.7 Å²	70.7	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-32.3	178.3	65.1	0	0	0	0	113.2	K682 E683 E684 R690	K682-T686 WeakPolarHBondContact O-CG2 3.46Å; K682-T686 PolarHBondContact O-N 3.48Å; E683-T686 PolarHBondContact O-N 3.35Å; E683-T686 PolarHBondContact O-OG1 2.7Å; E684-T686 PolarHBondContact O-N 3.03Å; T686-R690 WeakPolarHBondContact O-CB 3.4Å; T686-R690 WeakPolarHBondContact O-CG 3.42Å; T686-R690 PolarHBondContact O-N 3.06Å; T686-R690 PolarHBondContact O-NE 3.01Å; T686-R690 VanDerWaalsContact O-NE 3.1Å; T686-R690 PolarHBondContact OG1-NH2 3.29Å
687	F	90.7	Very high	88.9	Confident	33 Å²	33	75.6 Å²	75.6	15%	0.145	36%	0.363	C	S	.	.	H	α-helix	trans	-69.3	-45.7	173.9	179.3	-98.9	0	0	0	111	E683 E684 R685 D689 R690 L691 L754 F757	E683-F687 PolarHBondContact O-N 2.76Å; E684-F687 PolarHBondContact O-N 3.47Å; R685-F687 VanDerWaalsContact C-N 3.3Å; R685-F687 PolarHBondContact O-N 3.37Å; F687-D689 PolarHBondContact O-N 2.96Å; F687-R690 PolarHBondContact O-N 2.84Å; F687-L691 HydrophobicContact CE1-CD2 4.12Å; F687-L691 WeakPolarHBondContact O-CB 3.48Å; F687-L691 PolarHBondContact O-N 3.34Å; F687-L754 HydrophobicContact CE1-CD2 4.05Å; F687-F757 HydrophobicContact CB-CD1 4.37Å; F687-F757 HydrophobicContact CB-CD2 4.06Å; F687-F757 HydrophobicContact CB-CE1 3.93Å; F687-F757 HydrophobicContact CB-CE2 3.57Å; F687-F757 HydrophobicContact CB-CG 4.44Å; F687-F757 HydrophobicContact CB-CZ 3.5Å; F687-F757 VanDerWaalsContact CB-CZ 3.5Å; F687-F757 HydrophobicContact CD1-CB 4.12Å; F687-F757 AromaticContact CD1-CD1 3.63Å; F687-F757 HydrophobicContact CD1-CD1 3.63Å; F687-F757 AromaticContact CD1-CD2 3.92Å; F687-F757 HydrophobicContact CD1-CD2 3.92Å; F687-F757 HydrophobicContact CD1-CE1 4.01Å; F687-F757 HydrophobicContact CD1-CE2 4.26Å; F687-F757 AromaticContact CD1-CG 3.58Å; F687-F757 HydrophobicContact CD1-CG 3.58Å; F687-F757 HydrophobicContact CD1-CZ 4.31Å; F687-F757 HydrophobicContact CD2-CB 4.5Å; F687-F757 AromaticContact CD2-CD2 3.41Å; F687-F757 HydrophobicContact CD2-CD2 3.41Å; F687-F757 VanDerWaalsContact CD2-CD2 3.41Å; F687-F757 AromaticContact CD2-CE2 3.7Å; F687-F757 HydrophobicContact CD2-CE2 3.7Å; F687-F757 AromaticContact CD2-CG 3.91Å; F687-F757 HydrophobicContact CD2-CG 3.91Å; F687-F757 HydrophobicContact CD2-CZ 4.43Å; F687-F757 HydrophobicContact CE1-CB 3.66Å; F687-F757 HydrophobicContact CE1-CD1 4.03Å; F687-F757 HydrophobicContact CE1-CD2 4.2Å; F687-F757 AromaticContact CE1-CG 3.68Å; F687-F757 HydrophobicContact CE1-CG 3.68Å; F687-F757 HydrophobicContact CE2-CB 4.08Å; F687-F757 AromaticContact CE2-CD2 3.72Å; F687-F757 HydrophobicContact CE2-CD2 3.72Å; F687-F757 HydrophobicContact CE2-CE2 4.46Å; F687-F757 AromaticContact CE2-CG 4Å; F687-F757 HydrophobicContact CE2-CG 4Å; F687-F757 AromaticContact CG-CD1 3.95Å; F687-F757 HydrophobicContact CG-CD1 3.95Å; F687-F757 AromaticContact CG-CD2 3.51Å; F687-F757 HydrophobicContact CG-CD2 3.51Å; F687-F757 HydrophobicContact CG-CE1 4.03Å; F687-F757 AromaticContact CG-CE2 3.58Å; F687-F757 HydrophobicContact CG-CE2 3.58Å; F687-F757 AromaticContact CG-CG 3.7Å; F687-F757 HydrophobicContact CG-CG 3.7Å; F687-F757 AromaticContact CG-CZ 3.84Å; F687-F757 HydrophobicContact CG-CZ 3.84Å; F687-F757 HydrophobicContact CZ-CB 3.64Å; F687-F757 HydrophobicContact CZ-CD2 4.11Å; F687-F757 AromaticContact CZ-CG 3.88Å; F687-F757 HydrophobicContact CZ-CG 3.88Å
688	K	86.7	Confident	88.8	Confident	36 Å²	36	71.4 Å²	71.4	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-45.1	175.3	-75.2	-175	-178.4	179.8	0	112.3	E684 R685 R690 L691 K692 D714	E684-K688 WeakPolarHBondContact O-CG 3.28Å; E684-K688 PolarHBondContact O-N 2.87Å; E684-K688 WeakPolarHBondContact OE1-CE 3.44Å; E684-K688 IonicContact OE1-NZ 2.71Å; E684-K688 PolarHBondContact OE1-NZ 3.23Å; R685-K688 PolarHBondContact O-N 2.87Å; K688-R690 PolarHBondContact O-N 2.91Å; K688-L691 PolarHBondContact O-N 3.44Å; K688-K692 VanDerWaalsContact O-CB 3.31Å; K688-K692 WeakPolarHBondContact O-CB 3.22Å; K688-K692 PolarHBondContact O-N 2.86Å; K688-D714 IonicContact NZ-OD1 3.31Å; K688-D714 PolarHBondContact NZ-OD1 3.08Å
689	D	89	Confident	88.4	Confident	77 Å²	77	74.4 Å²	74.4	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-42.4	179.4	-70	-25.3	0	0	0	111.2	R685 F687 K692 N693	R685-D689 VanDerWaalsContact O-CG 3.28Å; R685-D689 PolarHBondContact O-N 3.3Å; F687-D689 PolarHBondContact O-N 2.96Å; D689-K692 PolarHBondContact O-N 3.21Å; D689-N693 VanDerWaalsContact O-CG 3.26Å; D689-N693 PolarHBondContact O-N 2.72Å
690	R	89.4	Confident	88	Confident	157 Å²	157	82.3 Å²	82.3	59%	0.592	39%	0.388	S	S	*	.	H	α-helix	trans	-61.9	-46.5	173.3	-78	-177.9	-75.8	-168.5	-2.5	112.2	T686 F687 K688 K692 N693 E694	T686-R690 WeakPolarHBondContact O-CB 3.4Å; T686-R690 WeakPolarHBondContact O-CG 3.42Å; T686-R690 PolarHBondContact O-N 3.06Å; T686-R690 PolarHBondContact O-NE 3.01Å; T686-R690 VanDerWaalsContact O-NE 3.1Å; T686-R690 PolarHBondContact OG1-NH2 3.29Å; F687-R690 PolarHBondContact O-N 2.84Å; K688-R690 PolarHBondContact O-N 2.91Å; R690-K692 VanDerWaalsContact C-N 3.31Å; R690-K692 PolarHBondContact O-N 3.3Å; R690-N693 PolarHBondContact O-N 3.48Å; R690-E694 PolarHBondContact O-N 2.99Å
691	L	87.7	Confident	87.7	Confident	2 Å²	2	85.6 Å²	85.6	1%	0.01	42%	0.416	C	S	.	.	H	α-helix	trans	-64.4	-37.5	179.2	-167.4	65.7	0	0	0	111.4	F687 K688 E694 I695 L710 V750 L754	F687-L691 HydrophobicContact CE1-CD2 4.12Å; F687-L691 WeakPolarHBondContact O-CB 3.48Å; F687-L691 PolarHBondContact O-N 3.34Å; K688-L691 PolarHBondContact O-N 3.44Å; L691-E694 PolarHBondContact O-N 3.42Å; L691-I695 HydrophobicContact CG-CD1 4.13Å; L691-I695 WeakPolarHBondContact O-CB 3.02Å; L691-I695 WeakPolarHBondContact O-CD1 3.24Å; L691-I695 WeakPolarHBondContact O-CG1 3.35Å; L691-I695 PolarHBondContact O-N 2.92Å; L691-L710 HydrophobicContact CD2-CD1 4.42Å; L691-V750 HydrophobicContact CD2-CG1 4.05Å; L691-L754 HydrophobicContact CD2-CD1 4.34Å; L691-L754 HydrophobicContact CD2-CD2 3.93Å; L691-L754 HydrophobicContact CD2-CG 3.88Å
692	K	86.9	Confident	87.4	Confident	109 Å²	109	87.8 Å²	87.8	47%	0.474	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-46.2	175.5	-175.2	179.2	177.6	-177	0	111.8	K688 D689 R690 E694 I695 D696 L710	K688-K692 VanDerWaalsContact O-CB 3.31Å; K688-K692 WeakPolarHBondContact O-CB 3.22Å; K688-K692 PolarHBondContact O-N 2.86Å; D689-K692 PolarHBondContact O-N 3.21Å; R690-K692 VanDerWaalsContact C-N 3.31Å; R690-K692 PolarHBondContact O-N 3.3Å; K692-E694 VanDerWaalsContact C-N 3.28Å; K692-E694 PolarHBondContact O-N 3.28Å; K692-I695 PolarHBondContact O-N 3.12Å; K692-D696 PolarHBondContact O-N 2.89Å; K692-L710 HydrophobicContact CB-CD2 4.43Å
693	N	88.4	Confident	87	Confident	111 Å²	111	85.1 Å²	85.1	59%	0.594	41%	0.406	S	S	*	.	H	α-helix	trans	-60.4	-39.6	175.1	-68.7	-13.6	0	0	0	111.5	D689 R690 D696	D689-N693 VanDerWaalsContact O-CG 3.26Å; D689-N693 PolarHBondContact O-N 2.72Å; R690-N693 PolarHBondContact O-N 3.48Å; N693-D696 PolarHBondContact O-N 3.12Å
694	E	87.3	Confident	86.8	Confident	69 Å²	69	89.7 Å²	89.7	32%	0.322	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-46.7	175.5	-170.4	-179.5	165.2	0	0	111.8	R690 L691 K692 D696 T697 Y698 R753	R690-E694 PolarHBondContact O-N 2.99Å; L691-E694 PolarHBondContact O-N 3.42Å; K692-E694 VanDerWaalsContact C-N 3.28Å; K692-E694 PolarHBondContact O-N 3.28Å; E694-D696 PolarHBondContact O-N 3Å; E694-T697 WeakPolarHBondContact O-CB 3.5Å; E694-T697 PolarHBondContact O-N 2.98Å; E694-T697 PolarHBondContact O-OG1 3.45Å; E694-Y698 HydrophobicContact CG-CE1 4.25Å; E694-Y698 PolarHBondContact OE1-OH 3.3Å; E694-R753 IonicContact OE1-CZ 3.38Å; E694-R753 IonicContact OE1-NH1 2.72Å; E694-R753 PolarHBondContact OE1-NH1 3.42Å; E694-R753 IonicContact OE1-NH2 3.95Å; E694-R753 IonicContact OE2-CZ 3.09Å; E694-R753 VanDerWaalsContact OE2-CZ 3.31Å; E694-R753 IonicContact OE2-NH1 3.93Å; E694-R753 PolarHBondContact OE2-NH1 2.9Å; E694-R753 IonicContact OE2-NH2 3.73Å; E694-R753 PolarHBondContact OE2-NH2 3.26Å
695	I	86.5	Confident	86.5	Confident	1 Å²	1	89.7 Å²	89.7	1%	0.005	43%	0.432	C	S	.	.	H	α-helix	trans	-57.5	-34.7	175.9	-70.8	167.3	0	0	0	111.8	L691 K692 T697 Y698 R703 A706 K707 L710 V750	L691-I695 HydrophobicContact CG-CD1 4.13Å; L691-I695 WeakPolarHBondContact O-CB 3.02Å; L691-I695 WeakPolarHBondContact O-CD1 3.24Å; L691-I695 WeakPolarHBondContact O-CG1 3.35Å; L691-I695 PolarHBondContact O-N 2.92Å; K692-I695 PolarHBondContact O-N 3.12Å; I695-T697 PolarHBondContact O-N 3.14Å; I695-Y698 HydrophobicContact CB-CD2 4.44Å; I695-Y698 HydrophobicContact CG1-CD2 4.35Å; I695-Y698 HydrophobicContact CG1-CE2 4Å; I695-Y698 HydrophobicContact CG2-CD2 4.48Å; I695-Y698 WeakPolarHBondContact O-CB 3.47Å; I695-Y698 PolarHBondContact O-N 2.96Å; I695-Y698 VanDerWaalsContact O-N 3.1Å; I695-R703 HydrophobicContact CG2-CG 3.98Å; I695-R703 WeakPolarHBondContact O-CG 3.34Å; I695-A706 HydrophobicContact CB-CB 4.37Å; I695-A706 HydrophobicContact CD1-CB 3.94Å; I695-A706 HydrophobicContact CG1-CB 3.8Å; I695-A706 HydrophobicContact CG2-CB 3.7Å; I695-K707 HydrophobicContact CG2-CG 3.78Å; I695-L710 HydrophobicContact CD1-CD2 4.48Å; I695-V750 HydrophobicContact CD1-CG1 4.08Å; I695-V750 HydrophobicContact CD1-CG2 4.28Å; I695-V750 HydrophobicContact CG1-CG2 4.35Å
696	D	87.5	Confident	86.3	Confident	65 Å²	65	81.3 Å²	81.3	35%	0.348	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-17.4	176.2	-75.6	-29.3	0	0	0	113	K692 N693 E694 R703 K707	K692-D696 PolarHBondContact O-N 2.89Å; N693-D696 PolarHBondContact O-N 3.12Å; E694-D696 PolarHBondContact O-N 3Å; D696-R703 VanDerWaalsContact O-CZ 3.25Å; D696-R703 PolarHBondContact O-NE 3.31Å; D696-R703 VanDerWaalsContact O-NE 3.17Å; D696-R703 PolarHBondContact O-NH2 2.92Å; D696-K707 WeakPolarHBondContact OD1-CE 3.48Å; D696-K707 IonicContact OD1-NZ 3.75Å; D696-K707 PolarHBondContact OD1-NZ 2.86Å
697	T	87.1	Confident	86	Confident	110 Å²	110	82 Å²	82	68%	0.675	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.5	172.7	69.9	0	0	0	0	114.3	E694 I695	E694-T697 WeakPolarHBondContact O-CB 3.5Å; E694-T697 PolarHBondContact O-N 2.98Å; E694-T697 PolarHBondContact O-OG1 3.45Å; I695-T697 PolarHBondContact O-N 3.14Å
698	Y	86.7	Confident	85.6	Confident	44 Å²	44	87.8 Å²	87.8	17%	0.173	42%	0.419	C	S	.	.	S	Bend	trans	-71.4	153.2	-177.7	-63.8	-12	0	0	0	113.9	E694 I695 M702 R703 A706 V750	E694-Y698 HydrophobicContact CG-CE1 4.25Å; E694-Y698 PolarHBondContact OE1-OH 3.3Å; I695-Y698 HydrophobicContact CB-CD2 4.44Å; I695-Y698 HydrophobicContact CG1-CD2 4.35Å; I695-Y698 HydrophobicContact CG1-CE2 4Å; I695-Y698 HydrophobicContact CG2-CD2 4.48Å; I695-Y698 WeakPolarHBondContact O-CB 3.47Å; I695-Y698 PolarHBondContact O-N 2.96Å; I695-Y698 VanDerWaalsContact O-N 3.1Å; Y698-M702 HydrophobicContact CD2-CB 4.43Å; Y698-M702 HydrophobicContact CG-CB 4.49Å; Y698-R703 PolarHBondContact O-NE 2.7Å; Y698-R703 PolarHBondContact O-NH2 2.6Å; Y698-A706 HydrophobicContact CD2-CB 4.07Å; Y698-A706 HydrophobicContact CE2-CB 4.18Å; Y698-V750 HydrophobicContact CE2-CG2 4.31Å
699	D	84.6	Confident	85.3	Confident	134 Å²	134	87.5 Å²	87.5	72%	0.717	42%	0.419	S	S	*	.			trans	-55.4	150.5	171.2	-72.2	-32.9	0	0	0	112.4	A701 M702 R703	D699-A701 VanDerWaalsContact C-N 3.25Å; D699-A701 PolarHBondContact O-N 3.01Å; D699-M702 PolarHBondContact O-N 3.46Å; D699-R703 WeakPolarHBondContact O-CB 3.38Å; D699-R703 PolarHBondContact O-N 3.25Å
700	R	83.4	Confident	85	Confident	223 Å²	223	84.6 Å²	84.6	84%	0.842	40%	0.403	S	S	*	.	H	α-helix	trans	-48.6	-41.9	-169.9	-172.6	179.9	-175.6	-168.4	2.2	114.2	K704	R700-K704 PolarHBondContact O-N 2.83Å
701	A	83.1	Confident	84.5	Confident	81 Å²	81	81.7 Å²	81.7	67%	0.669	40%	0.4	S	S	*	.	H	α-helix	trans	-68.8	-48.3	178.7	0	0	0	0	0	112	D699 K704 A705	D699-A701 VanDerWaalsContact C-N 3.25Å; D699-A701 PolarHBondContact O-N 3.01Å; A701-K704 PolarHBondContact O-N 2.99Å; A701-A705 PolarHBondContact O-N 3.32Å; A701-A705 VanDerWaalsContact O-N 3.16Å
702	M	82	Confident	84.1	Confident	118 Å²	118	88.1 Å²	88.1	58%	0.581	43%	0.428	S	S	*	.	H	α-helix	trans	-62.8	-42.8	177.5	-72.6	-62	-74.1	0	0	111.8	Y698 D699 K704 A705 A706	Y698-M702 HydrophobicContact CD2-CB 4.43Å; Y698-M702 HydrophobicContact CG-CB 4.49Å; D699-M702 PolarHBondContact O-N 3.46Å; M702-K704 VanDerWaalsContact C-N 3.33Å; M702-K704 PolarHBondContact O-N 2.98Å; M702-A705 PolarHBondContact O-N 3.5Å; M702-A706 VanDerWaalsContact O-CB 3.26Å; M702-A706 WeakPolarHBondContact O-CB 3.04Å; M702-A706 PolarHBondContact O-N 3.12Å
703	R	83.9	Confident	83.4	Confident	83 Å²	83	83.9 Å²	83.9	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-42.4	175.4	-170.6	-178.1	-58.7	137.8	-4.2	112	I695 D696 Y698 D699 K707	I695-R703 HydrophobicContact CG2-CG 3.98Å; I695-R703 WeakPolarHBondContact O-CG 3.34Å; D696-R703 VanDerWaalsContact O-CZ 3.25Å; D696-R703 PolarHBondContact O-NE 3.31Å; D696-R703 VanDerWaalsContact O-NE 3.17Å; D696-R703 PolarHBondContact O-NH2 2.92Å; Y698-R703 PolarHBondContact O-NE 2.7Å; Y698-R703 PolarHBondContact O-NH2 2.6Å; D699-R703 WeakPolarHBondContact O-CB 3.38Å; D699-R703 PolarHBondContact O-N 3.25Å; R703-K707 HydrophobicContact CG-CD 4.23Å; R703-K707 WeakPolarHBondContact O-CB 3.28Å; R703-K707 WeakPolarHBondContact O-CG 3.44Å; R703-K707 PolarHBondContact O-N 3.44Å
704	K	84.4	Confident	82.5	Confident	148 Å²	148	81.4 Å²	81.4	64%	0.643	40%	0.396	S	S	*	.	H	α-helix	trans	-67	-39	178.8	-169.3	177.3	-177.4	-179.7	0	112	R700 A701 M702 R708	R700-K704 PolarHBondContact O-N 2.83Å; A701-K704 PolarHBondContact O-N 2.99Å; M702-K704 VanDerWaalsContact C-N 3.33Å; M702-K704 PolarHBondContact O-N 2.98Å; K704-R708 WeakPolarHBondContact O-CB 3.47Å; K704-R708 PolarHBondContact O-N 2.78Å
705	A	81.4	Confident	81.5	Confident	39 Å²	39	84.4 Å²	84.4	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-51.8	174.8	0	0	0	0	0	111.3	A701 M702 K707 R708 D709	A701-A705 PolarHBondContact O-N 3.32Å; A701-A705 VanDerWaalsContact O-N 3.16Å; M702-A705 PolarHBondContact O-N 3.5Å; A705-K707 PolarHBondContact O-N 3.39Å; A705-R708 WeakPolarHBondContact O-CA 3.46Å; A705-R708 VanDerWaalsContact O-CB 3.32Å; A705-R708 WeakPolarHBondContact O-CB 3.49Å; A705-R708 PolarHBondContact O-N 3.49Å; A705-D709 PolarHBondContact O-N 2.94Å
706	A	84.5	Confident	80.5	Confident	3 Å²	3	87.9 Å²	87.9	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-58.1	-42.5	178.9	0	0	0	0	0	114	I695 Y698 M702 R708 D709 L710 V750	I695-A706 HydrophobicContact CB-CB 4.37Å; I695-A706 HydrophobicContact CD1-CB 3.94Å; I695-A706 HydrophobicContact CG1-CB 3.8Å; I695-A706 HydrophobicContact CG2-CB 3.7Å; Y698-A706 HydrophobicContact CD2-CB 4.07Å; Y698-A706 HydrophobicContact CE2-CB 4.18Å; M702-A706 VanDerWaalsContact O-CB 3.26Å; M702-A706 WeakPolarHBondContact O-CB 3.04Å; M702-A706 PolarHBondContact O-N 3.12Å; A706-R708 VanDerWaalsContact C-N 3.33Å; A706-D709 PolarHBondContact O-N 3.5Å; A706-L710 PolarHBondContact O-N 3.39Å; A706-V750 HydrophobicContact CB-CG2 3.72Å
707	K	84.6	Confident	79.3	Confident	80 Å²	80	87.2 Å²	87.2	35%	0.348	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-34.4	174.2	-73.7	-175.4	-178.4	-174.2	0	112.3	I695 D696 R703 A705 D709 L710 N711	I695-K707 HydrophobicContact CG2-CG 3.78Å; D696-K707 WeakPolarHBondContact OD1-CE 3.48Å; D696-K707 IonicContact OD1-NZ 3.75Å; D696-K707 PolarHBondContact OD1-NZ 2.86Å; R703-K707 HydrophobicContact CG-CD 4.23Å; R703-K707 WeakPolarHBondContact O-CB 3.28Å; R703-K707 WeakPolarHBondContact O-CG 3.44Å; R703-K707 PolarHBondContact O-N 3.44Å; A705-K707 PolarHBondContact O-N 3.39Å; K707-D709 VanDerWaalsContact C-N 3.34Å; K707-L710 PolarHBondContact O-N 3.47Å; K707-N711 WeakPolarHBondContact O-CB 3.46Å; K707-N711 PolarHBondContact O-N 2.63Å; K707-N711 PolarHBondContact O-OD1 3.46Å
708	R	82.3	Confident	77.8	Confident	154 Å²	154	88 Å²	88	58%	0.581	42%	0.419	S	S	*	.	H	α-helix	trans	-64.6	-41.3	174.1	-173	-174.2	-77.8	115.9	-13.3	110.7	K704 A705 A706 N711 K712	K704-R708 WeakPolarHBondContact O-CB 3.47Å; K704-R708 PolarHBondContact O-N 2.78Å; A705-R708 WeakPolarHBondContact O-CA 3.46Å; A705-R708 VanDerWaalsContact O-CB 3.32Å; A705-R708 WeakPolarHBondContact O-CB 3.49Å; A705-R708 PolarHBondContact O-N 3.49Å; A706-R708 VanDerWaalsContact C-N 3.33Å; R708-N711 PolarHBondContact O-N 2.9Å; R708-K712 WeakPolarHBondContact O-CB 3.37Å; R708-K712 PolarHBondContact O-N 3.32Å
709	D	81.2	Confident	76.4	Confident	29 Å²	29	88.8 Å²	88.8	16%	0.155	43%	0.431	C	S	.	.	H	α-helix	trans	-66	-42	177.1	-64.2	-40.3	0	0	0	112.3	A705 A706 K707 K712 Y713 S748 V750	A705-D709 PolarHBondContact O-N 2.94Å; A706-D709 PolarHBondContact O-N 3.5Å; K707-D709 VanDerWaalsContact C-N 3.34Å; D709-K712 WeakPolarHBondContact O-CB 3.37Å; D709-K712 PolarHBondContact O-N 3.5Å; D709-Y713 PolarHBondContact O-N 2.91Å; D709-S748 WeakPolarHBondContact OD2-CB 3.42Å; D709-S748 PolarHBondContact OD2-OG 2.97Å; D709-V750 HydrophobicContact CB-CB 4.47Å; D709-V750 HydrophobicContact CB-CG1 4.25Å
710	L	81.9	Confident	74.8	Confident	16 Å²	16	87.3 Å²	87.3	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-43.2	174.5	-170.4	66.8	0	0	0	111.8	L691 K692 I695 A706 K707 Y713 D714 L754	L691-L710 HydrophobicContact CD2-CD1 4.42Å; K692-L710 HydrophobicContact CB-CD2 4.43Å; I695-L710 HydrophobicContact CD1-CD2 4.48Å; A706-L710 PolarHBondContact O-N 3.39Å; K707-L710 PolarHBondContact O-N 3.47Å; L710-Y713 VanDerWaalsContact O-CB 3.31Å; L710-Y713 WeakPolarHBondContact O-CB 3.43Å; L710-Y713 PolarHBondContact O-N 3.02Å; L710-D714 PolarHBondContact O-N 3.17Å; L710-D714 VanDerWaalsContact O-N 3.12Å; L710-L754 HydrophobicContact CD1-CD1 4.2Å; L710-L754 HydrophobicContact CD1-CD2 4.36Å
711	N	79.3	Confident	73.2	Confident	97 Å²	97	80.7 Å²	80.7	52%	0.519	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-35.4	176.1	-70.1	-4.4	0	0	0	112.3	K707 R708 Y713 D714 H715	K707-N711 WeakPolarHBondContact O-CB 3.46Å; K707-N711 PolarHBondContact O-N 2.63Å; K707-N711 PolarHBondContact O-OD1 3.46Å; R708-N711 PolarHBondContact O-N 2.9Å; N711-Y713 VanDerWaalsContact C-N 3.27Å; N711-Y713 PolarHBondContact O-N 3.09Å; N711-D714 PolarHBondContact O-N 3.45Å; N711-H715 PolarHBondContact O-N 3.32Å
712	K	78.7	Confident	71.2	Confident	137 Å²	137	80.6 Å²	80.6	60%	0.596	41%	0.406	S	S	*	.	H	α-helix	trans	-62.8	-38.7	173.9	-169.6	-179.9	-178.5	-175.8	0	110.5	R708 D709 H715 I716	R708-K712 WeakPolarHBondContact O-CB 3.37Å; R708-K712 PolarHBondContact O-N 3.32Å; D709-K712 WeakPolarHBondContact O-CB 3.37Å; D709-K712 PolarHBondContact O-N 3.5Å; K712-H715 PolarHBondContact O-N 3.25Å; K712-I716 HydrophobicContact CG-CD1 4.43Å; K712-I716 WeakPolarHBondContact O-CG1 3.12Å; K712-I716 PolarHBondContact O-N 2.83Å; K712-I716 VanDerWaalsContact O-N 3.14Å
713	Y	72.6	Confident	69.1	Low	19 Å²	19	81.7 Å²	81.7	8%	0.075	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-44.3	173.8	-174.8	-93.7	0	0	0	112.3	D709 L710 N711 H715 I716 I717 L754 R758	D709-Y713 PolarHBondContact O-N 2.91Å; L710-Y713 VanDerWaalsContact O-CB 3.31Å; L710-Y713 WeakPolarHBondContact O-CB 3.43Å; L710-Y713 PolarHBondContact O-N 3.02Å; N711-Y713 VanDerWaalsContact C-N 3.27Å; N711-Y713 PolarHBondContact O-N 3.09Å; Y713-H715 PolarHBondContact O-N 2.88Å; Y713-I716 PolarHBondContact O-N 2.66Å; Y713-I717 HydrophobicContact CD1-CD1 3.67Å; Y713-I717 HydrophobicContact CE1-CD1 3.22Å; Y713-I717 HydrophobicContact CE1-CG1 4.29Å; Y713-I717 WeakPolarHBondContact O-CG1 3.36Å; Y713-I717 PolarHBondContact O-N 2.9Å; Y713-I717 VanDerWaalsContact O-N 3.17Å; Y713-L754 HydrophobicContact CD1-CD2 4.16Å; Y713-L754 HydrophobicContact CD2-CB 3.99Å; Y713-L754 HydrophobicContact CD2-CD1 4.04Å; Y713-L754 HydrophobicContact CD2-CD2 4.24Å; Y713-L754 HydrophobicContact CD2-CG 4.33Å; Y713-L754 HydrophobicContact CE1-CD2 4.13Å; Y713-L754 HydrophobicContact CE2-CB 3.99Å; Y713-L754 HydrophobicContact CE2-CD2 4.22Å; Y713-L754 HydrophobicContact CG-CD1 3.98Å; Y713-L754 HydrophobicContact CG-CD2 4.2Å; Y713-R758 PolarHBondContact OH-NE 3.08Å; Y713-R758 PolarHBondContact OH-NH2 3.45Å
714	D	69.8	Low	66.9	Low	59 Å²	59	84 Å²	84	32%	0.316	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-38.3	176.5	-76.3	-22.2	0	0	0	112.8	K688 L710 N711 I716 I717 Q718	K688-D714 IonicContact NZ-OD1 3.31Å; K688-D714 PolarHBondContact NZ-OD1 3.08Å; L710-D714 PolarHBondContact O-N 3.17Å; L710-D714 VanDerWaalsContact O-N 3.12Å; N711-D714 PolarHBondContact O-N 3.45Å; D714-I716 PolarHBondContact O-N 3.02Å; D714-I717 PolarHBondContact O-N 2.99Å; D714-Q718 PolarHBondContact O-N 3.39Å
715	H	66.2	Low	64.5	Low	133 Å²	133	81.3 Å²	81.3	62%	0.616	44%	0.437	S	S	*	.	H	α-helix	trans	-63.1	-39.9	175.1	-91.4	-62.3	0	0	0	112.9	N711 K712 Y713 I717 Q718 S719	N711-H715 PolarHBondContact O-N 3.32Å; K712-H715 PolarHBondContact O-N 3.25Å; Y713-H715 PolarHBondContact O-N 2.88Å; H715-I717 VanDerWaalsContact C-N 3.28Å; H715-I717 PolarHBondContact O-N 3.46Å; H715-Q718 PolarHBondContact O-N 2.92Å; H715-S719 WeakPolarHBondContact O-CB 3.36Å; H715-S719 PolarHBondContact O-N 3.39Å; H715-S719 PolarHBondContact O-OG 2.92Å
716	I	65.5	Low	62	Low	73 Å²	73	87.1 Å²	87.1	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-64.9	-34.9	176.1	-67	165.4	0	0	0	110.9	K712 Y713 D714 S719 N720	K712-I716 HydrophobicContact CG-CD1 4.43Å; K712-I716 WeakPolarHBondContact O-CG1 3.12Å; K712-I716 PolarHBondContact O-N 2.83Å; K712-I716 VanDerWaalsContact O-N 3.14Å; Y713-I716 PolarHBondContact O-N 2.66Å; D714-I716 PolarHBondContact O-N 3.02Å; I716-S719 WeakPolarHBondContact CA-OG 3.24Å; I716-S719 PolarHBondContact O-OG 3.36Å; I716-N720 PolarHBondContact O-N 3.07Å
717	I	61.1	Low	59.5	Low	51 Å²	51	96.6 Å²	96.6	26%	0.262	50%	0.502	S	S	.	.	H	α-helix	trans	-69.2	-45.8	176.1	-69.2	173.9	0	0	0	110.9	E684 Y713 D714 H715 S719 N720 S721	E684-I717 VanDerWaalsContact OE1-CD1 3.28Å; E684-I717 WeakPolarHBondContact OE1-CD1 3Å; Y713-I717 HydrophobicContact CD1-CD1 3.67Å; Y713-I717 HydrophobicContact CE1-CD1 3.22Å; Y713-I717 HydrophobicContact CE1-CG1 4.29Å; Y713-I717 WeakPolarHBondContact O-CG1 3.36Å; Y713-I717 PolarHBondContact O-N 2.9Å; Y713-I717 VanDerWaalsContact O-N 3.17Å; D714-I717 PolarHBondContact O-N 2.99Å; H715-I717 VanDerWaalsContact C-N 3.28Å; H715-I717 PolarHBondContact O-N 3.46Å; I717-S719 VanDerWaalsContact C-N 3.35Å; I717-S719 PolarHBondContact O-N 3.4Å; I717-N720 PolarHBondContact O-N 2.82Å; I717-S721 PolarHBondContact O-N 3.02Å
718	Q	57.1	Low	57	Low	126 Å²	126	97.4 Å²	97.4	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-65.2	-36.6	178.1	-74.8	179	-0.9	0	0	112.5	D714 H715 N720 S721 S722	D714-Q718 PolarHBondContact O-N 3.39Å; H715-Q718 PolarHBondContact O-N 2.92Å; Q718-N720 VanDerWaalsContact C-N 3.34Å; Q718-N720 PolarHBondContact O-N 2.98Å; Q718-S721 PolarHBondContact O-N 3.18Å; Q718-S722 PolarHBondContact O-N 3.5Å; Q718-S722 PolarHBondContact O-OG 3.47Å
719	S	56.4	Low	54.4	Low	62 Å²	62	97.9 Å²	97.9	43%	0.434	53%	0.532	S	S	.	.	H	α-helix	trans	-65.6	-37.4	175.7	65	0	0	0	0	112.2	H715 I716 I717 S722	H715-S719 WeakPolarHBondContact O-CB 3.36Å; H715-S719 PolarHBondContact O-N 3.39Å; H715-S719 PolarHBondContact O-OG 2.92Å; I716-S719 WeakPolarHBondContact CA-OG 3.24Å; I716-S719 PolarHBondContact O-OG 3.36Å; I717-S719 VanDerWaalsContact C-N 3.35Å; I717-S719 PolarHBondContact O-N 3.4Å; S719-S722 PolarHBondContact O-N 3.1Å
720	N	50.8	Low	52	Low	103 Å²	103	101.3 Å²	101.3	55%	0.551	55%	0.55	S	S	*	*	H	α-helix	trans	-75.8	-31.9	177.1	-72.4	-5.9	0	0	0	112.7	I716 I717 Q718 S722 L723	I716-N720 PolarHBondContact O-N 3.07Å; I717-N720 PolarHBondContact O-N 2.82Å; Q718-N720 VanDerWaalsContact C-N 3.34Å; Q718-N720 PolarHBondContact O-N 2.98Å; N720-S722 VanDerWaalsContact C-N 3.26Å; N720-S722 PolarHBondContact O-N 3.43Å; N720-L723 PolarHBondContact O-N 3.25Å
721	S	49.5	Very low	49.6	Very low	84 Å²	84	105.3 Å²	105.3	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-65.8	-27.4	173.2	179.7	0	0	0	0	113	I717 Q718 L723 T724	I717-S721 PolarHBondContact O-N 3.02Å; Q718-S721 PolarHBondContact O-N 3.18Å; S721-L723 VanDerWaalsContact C-N 3.33Å; S721-T724 PolarHBondContact O-OG1 3.4Å
722	S	41.6	Very low	47.2	Very low	79 Å²	79	105.9 Å²	105.9	55%	0.552	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-84.5	-8	-176.8	-52.5	0	0	0	0	113.2	Q718 S719 N720	Q718-S722 PolarHBondContact O-N 3.5Å; Q718-S722 PolarHBondContact O-OG 3.47Å; S719-S722 PolarHBondContact O-N 3.1Å; N720-S722 VanDerWaalsContact C-N 3.26Å; N720-S722 PolarHBondContact O-N 3.43Å
723	L	38.1	Very low	44.7	Very low	140 Å²	140	105.1 Å²	105.1	73%	0.733	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-87.1	0.1	-177.3	-122.4	78.3	0	0	0	114.3	N720 S721 S725	N720-L723 PolarHBondContact O-N 3.25Å; S721-L723 VanDerWaalsContact C-N 3.33Å; L723-S725 VanDerWaalsContact C-N 3.26Å; L723-S725 PolarHBondContact O-N 2.81Å
724	T	38.4	Very low	42.6	Very low	132 Å²	132	109.4 Å²	109.4	81%	0.81	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-84.4	6.2	179.1	58.1	0	0	0	0	113.9	S721	S721-T724 PolarHBondContact O-OG1 3.4Å
725	S	33	Very low	40.8	Very low	92 Å²	92	111.4 Å²	111.4	64%	0.643	64%	0.636	S	S	*	*	S	Bend	trans	-132.6	49.6	-179.1	67.8	0	0	0	0	113.5	L723	L723-S725 VanDerWaalsContact C-N 3.26Å; L723-S725 PolarHBondContact O-N 2.81Å
726	L	29.5	Very low	39	Very low	160 Å²	160	112.4 Å²	112.4	84%	0.838	65%	0.646	S	S	*	*			trans	-138.8	118.5	159.2	-86.2	122.2	0	0	0	111.5
727	K	32.2	Very low	37.3	Very low	202 Å²	202	114.8 Å²	114.8	88%	0.878	66%	0.664	S	S	*	*			trans	-49.5	138.8	171.4	-78.5	168	170	173.8	0	111.9
728	S	31.9	Very low	35.7	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	68%	0.682	S	S	*	*			trans	33.8	104.1	132.6	169.2	0	0	0	0	116.4
729	N	28.3	Very low	34.3	Very low	164 Å²	164	116.9 Å²	116.9	88%	0.877	69%	0.688	S	S	*	*				-140.5	115.2	126.6	-90	-24.9	0	0	0	109.5	S731	N729-S731 PolarHBondContact O-N 3.48Å
730	N	30.8	Very low	33.1	Very low	101 Å²	101	120.7 Å²	120.7	54%	0.54	71%	0.709	S	S	.	*			trans	-68	113.7	164.1	-90.2	-35.3	0	0	0	108.7	K1001	N730-K1001 WeakPolarHBondContact OD1-CE 3.37Å
731	S	30.2	Very low	32.1	Very low	100 Å²	100	121.9 Å²	121.9	70%	0.699	72%	0.716	S	S	*	*			trans	-152	133.6	138.3	58.9	0	0	0	0	109.3	N729 T733	N729-S731 PolarHBondContact O-N 3.48Å; S731-T733 PolarHBondContact O-N 2.88Å
732	T	29.8	Very low	31.3	Very low	110 Å²	110	124.6 Å²	124.6	68%	0.675	72%	0.724	S	S	*	*			trans	-80.4	99.4	-174.8	-34	0	0	0	0	107	K1001	T732-K1001 PolarHBondContact OG1-NZ 3.47Å
733	T	25.9	Very low	30.9	Very low	121 Å²	121	128.3 Å²	128.3	74%	0.742	74%	0.737	S	S	*	*			trans	-123	98.3	165	-38.9	0	0	0	0	109	S731	S731-T733 PolarHBondContact O-N 2.88Å
734	T	29.2	Very low	31	Very low	108 Å²	108	128.2 Å²	128.2	66%	0.663	74%	0.737	S	S	*	*			trans	-36.1	127.8	156.8	-47.7	0	0	0	0	111.2
735	T	31.1	Very low	31	Very low	101 Å²	101	128.9 Å²	128.9	62%	0.62	74%	0.736	S	S	*	*			trans	49.9	88.7	153.7	62	0	0	0	0	117.9	T737	T735-T737 VanDerWaalsContact C-N 3.34Å
736	N	28.7	Very low	31.7	Very low	155 Å²	155	130 Å²	130	83%	0.829	74%	0.744	S	S	*	*			trans	-98.7	69	141	-78.4	-8.2	0	0	0	109	T738	N736-T738 VanDerWaalsContact C-N 3.31Å; N736-T738 PolarHBondContact O-N 3.26Å
737	T	29.3	Very low	32.7	Very low	122 Å²	122	126.3 Å²	126.3	75%	0.748	73%	0.732	S	S	*	*			trans	-77.3	89.9	143.2	28	0	0	0	0	106.7	T735	T735-T737 VanDerWaalsContact C-N 3.34Å
738	T	27.7	Very low	34.4	Very low	103 Å²	103	118.4 Å²	118.4	63%	0.632	70%	0.702	S	S	*	*			trans	-139.6	88.8	166.5	-15.8	0	0	0	0	108.6	N736	N736-T738 VanDerWaalsContact C-N 3.31Å; N736-T738 PolarHBondContact O-N 3.26Å
739	T	28.3	Very low	36.7	Very low	118 Å²	118	118.9 Å²	118.9	72%	0.724	70%	0.696	S	S	*	*				44.3	86.6	128.3	-42.8	0	0	0	0	115.4
740	T	30.1	Very low	39.2	Very low	143 Å²	143	111.2 Å²	111.2	88%	0.877	66%	0.655	S	S	*	*			trans	-111.6	97.5	146.5	-19.7	0	0	0	0	107.6
741	N	30	Very low	41.6	Very low	128 Å²	128	107.8 Å²	107.8	68%	0.684	64%	0.639	S	S	*	*			trans	-6.2	125.3	164	-68.7	-23.7	0	0	0	117	N743	N741-N743 PolarHBondContact O-N 2.89Å; N741-N743 VanDerWaalsContact O-N 3.16Å
742	N	32.8	Very low	44	Very low	141 Å²	141	108 Å²	108	75%	0.754	63%	0.629	S	S	*	*				13.9	92.9	121.9	-76.4	-13	0	0	0	114.6
743	N	34.5	Very low	46.7	Very low	157 Å²	157	106.6 Å²	106.6	84%	0.84	61%	0.612	S	S	*	*			trans	-140.3	74.8	138.7	-93.6	-23.1	0	0	0	106.8	N741 N745	N741-N743 PolarHBondContact O-N 2.89Å; N741-N743 VanDerWaalsContact O-N 3.16Å; N743-N745 PolarHBondContact O-N 3.45Å
744	N	40	Very low	49.5	Very low	137 Å²	137	101 Å²	101	73%	0.733	58%	0.577	S	S	*	*			trans	-51.1	113.8	145.7	-74	-24.7	0	0	0	106.3
745	N	38.2	Very low	52.1	Low	147 Å²	147	99.3 Å²	99.3	79%	0.786	57%	0.566	S	S	*	*			trans	-177.1	112.4	146.6	-87	-23.6	0	0	0	108.9	N743	N743-N745 PolarHBondContact O-N 3.45Å
746	S	47.3	Very low	54.9	Low	115 Å²	115	98.2 Å²	98.2	80%	0.804	56%	0.556	S	S	*	*			trans	68.2	64	162.6	-43.1	0	0	0	0	116	S748	S746-S748 PolarHBondContact O-N 3.41Å; S746-S748 VanDerWaalsContact O-N 3.07Å
747	S	49.6	Very low	57.7	Low	83 Å²	83	92.3 Å²	92.3	58%	0.58	52%	0.523	S	S	*	.			trans	-55.8	116.6	153.1	177.9	0	0	0	0	107.3	L749	S747-L749 PolarHBondContact O-N 3.49Å
748	S	69.1	Low	60.4	Low	36 Å²	36	90.3 Å²	90.3	25%	0.252	50%	0.502	S	S	.	.			trans	-48.4	138.1	173.2	168.4	0	0	0	0	110.3	D709 S746 V750 S751 Q752	D709-S748 WeakPolarHBondContact OD2-CB 3.42Å; D709-S748 PolarHBondContact OD2-OG 2.97Å; S746-S748 PolarHBondContact O-N 3.41Å; S746-S748 VanDerWaalsContact O-N 3.07Å; S748-V750 PolarHBondContact O-N 3.44Å; S748-V750 PolarHBondContact OG-N 3.01Å; S748-S751 WeakPolarHBondContact O-CA 3.26Å; S748-S751 WeakPolarHBondContact O-CB 3.29Å; S748-S751 PolarHBondContact O-N 3.23Å; S748-Q752 PolarHBondContact O-N 3.08Å
749	L	79	Confident	63.2	Low	107 Å²	107	91 Å²	91	56%	0.56	50%	0.498	S	S	*	.	H	α-helix	trans	-49.2	-34.3	177.3	-169.2	99.4	0	0	0	111.5	S747 R753	S747-L749 PolarHBondContact O-N 3.49Å; L749-R753 WeakPolarHBondContact O-CB 3.44Å; L749-R753 VanDerWaalsContact O-CG 3.26Å; L749-R753 WeakPolarHBondContact O-CG 3.46Å; L749-R753 PolarHBondContact O-N 3.14Å
750	V	82.3	Confident	66.2	Low	3 Å²	3	89.7 Å²	89.7	2%	0.018	49%	0.487	C	S	.	.	H	α-helix	trans	-66.3	-47	176.4	175.7	0	0	0	0	111.6	L691 I695 Y698 A706 D709 S748 Q752 R753 L754	L691-V750 HydrophobicContact CD2-CG1 4.05Å; I695-V750 HydrophobicContact CD1-CG1 4.08Å; I695-V750 HydrophobicContact CD1-CG2 4.28Å; I695-V750 HydrophobicContact CG1-CG2 4.35Å; Y698-V750 HydrophobicContact CE2-CG2 4.31Å; A706-V750 HydrophobicContact CB-CG2 3.72Å; D709-V750 HydrophobicContact CB-CB 4.47Å; D709-V750 HydrophobicContact CB-CG1 4.25Å; S748-V750 PolarHBondContact O-N 3.44Å; S748-V750 PolarHBondContact OG-N 3.01Å; V750-Q752 PolarHBondContact O-N 2.99Å; V750-R753 PolarHBondContact O-N 3.27Å; V750-L754 HydrophobicContact CG1-CD1 4.03Å; V750-L754 WeakPolarHBondContact O-CG 3.42Å; V750-L754 PolarHBondContact O-N 3.46Å
751	S	80.5	Confident	69	Low	29 Å²	29	83.8 Å²	83.8	20%	0.203	45%	0.449	C	S	.	.	H	α-helix	trans	-61.1	-43.2	175.9	-66.3	0	0	0	0	111.8	S748 L754 T755	S748-S751 WeakPolarHBondContact O-CA 3.26Å; S748-S751 WeakPolarHBondContact O-CB 3.29Å; S748-S751 PolarHBondContact O-N 3.23Å; S751-L754 PolarHBondContact O-N 3.24Å; S751-T755 PolarHBondContact O-N 2.86Å; S751-T755 PolarHBondContact O-OG1 2.93Å; S751-T755 VanDerWaalsContact O-OG1 3.13Å
752	Q	81.4	Confident	71.7	Confident	105 Å²	105	82.4 Å²	82.4	49%	0.491	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-44.8	176.7	-173.6	177.4	1.2	0	0	111.9	S748 V750 L754 T755 I756	S748-Q752 PolarHBondContact O-N 3.08Å; V750-Q752 PolarHBondContact O-N 2.99Å; Q752-L754 VanDerWaalsContact C-N 3.34Å; Q752-L754 PolarHBondContact O-N 3.1Å; Q752-T755 PolarHBondContact O-N 2.98Å; Q752-I756 HydrophobicContact CG-CD1 3.95Å; Q752-I756 WeakPolarHBondContact O-CG1 3.36Å; Q752-I756 PolarHBondContact O-N 2.98Å
753	R	86.5	Confident	74.5	Confident	80 Å²	80	79.4 Å²	79.4	30%	0.302	43%	0.429	S	S	.	.	H	α-helix	trans	-62.3	-39	176.5	-74.3	174.8	69	-175.6	-2.3	112.4	E694 L749 V750 F757	E694-R753 IonicContact OE1-CZ 3.38Å; E694-R753 IonicContact OE1-NH1 2.72Å; E694-R753 PolarHBondContact OE1-NH1 3.42Å; E694-R753 IonicContact OE1-NH2 3.95Å; E694-R753 IonicContact OE2-CZ 3.09Å; E694-R753 VanDerWaalsContact OE2-CZ 3.31Å; E694-R753 IonicContact OE2-NH1 3.93Å; E694-R753 PolarHBondContact OE2-NH1 2.9Å; E694-R753 IonicContact OE2-NH2 3.73Å; E694-R753 PolarHBondContact OE2-NH2 3.26Å; L749-R753 WeakPolarHBondContact O-CB 3.44Å; L749-R753 VanDerWaalsContact O-CG 3.26Å; L749-R753 WeakPolarHBondContact O-CG 3.46Å; L749-R753 PolarHBondContact O-N 3.14Å; V750-R753 PolarHBondContact O-N 3.27Å; R753-F757 WeakPolarHBondContact O-CB 3.49Å; R753-F757 PolarHBondContact O-N 2.79Å
754	L	85.1	Confident	77.2	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.016	41%	0.407	C	S	.	.	H	α-helix	trans	-64.6	-42.1	175.5	-78.5	163.6	0	0	0	112.3	F687 L691 L710 Y713 V750 S751 Q752 R758	F687-L754 HydrophobicContact CE1-CD2 4.05Å; L691-L754 HydrophobicContact CD2-CD1 4.34Å; L691-L754 HydrophobicContact CD2-CD2 3.93Å; L691-L754 HydrophobicContact CD2-CG 3.88Å; L710-L754 HydrophobicContact CD1-CD1 4.2Å; L710-L754 HydrophobicContact CD1-CD2 4.36Å; Y713-L754 HydrophobicContact CD1-CD2 4.16Å; Y713-L754 HydrophobicContact CD2-CB 3.99Å; Y713-L754 HydrophobicContact CD2-CD1 4.04Å; Y713-L754 HydrophobicContact CD2-CD2 4.24Å; Y713-L754 HydrophobicContact CD2-CG 4.33Å; Y713-L754 HydrophobicContact CE1-CD2 4.13Å; Y713-L754 HydrophobicContact CE2-CB 3.99Å; Y713-L754 HydrophobicContact CE2-CD2 4.22Å; Y713-L754 HydrophobicContact CG-CD1 3.98Å; Y713-L754 HydrophobicContact CG-CD2 4.2Å; V750-L754 HydrophobicContact CG1-CD1 4.03Å; V750-L754 WeakPolarHBondContact O-CG 3.42Å; V750-L754 PolarHBondContact O-N 3.46Å; S751-L754 PolarHBondContact O-N 3.24Å; Q752-L754 VanDerWaalsContact C-N 3.34Å; Q752-L754 PolarHBondContact O-N 3.1Å; L754-R758 WeakPolarHBondContact O-CB 3.18Å; L754-R758 PolarHBondContact O-N 2.81Å
755	T	83.9	Confident	79.6	Confident	72 Å²	72	72.6 Å²	72.6	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-50.6	177.2	-59.2	0	0	0	0	111.6	S751 Q752 F757 R758 E759	S751-T755 PolarHBondContact O-N 2.86Å; S751-T755 PolarHBondContact O-OG1 2.93Å; S751-T755 VanDerWaalsContact O-OG1 3.13Å; Q752-T755 PolarHBondContact O-N 2.98Å; T755-F757 VanDerWaalsContact C-N 3.32Å; T755-F757 PolarHBondContact O-N 3.22Å; T755-R758 PolarHBondContact O-N 3.38Å; T755-R758 VanDerWaalsContact O-N 3.12Å; T755-E759 HydrophobicContact CG2-CG 4.46Å; T755-E759 WeakPolarHBondContact O-CG 3.34Å; T755-E759 PolarHBondContact O-N 3.48Å
756	I	87.9	Confident	82.1	Confident	79 Å²	79	69.3 Å²	69.3	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-42.9	179.5	-66.8	169	0	0	0	111	Q752 R758 E759 N760	Q752-I756 HydrophobicContact CG-CD1 3.95Å; Q752-I756 WeakPolarHBondContact O-CG1 3.36Å; Q752-I756 PolarHBondContact O-N 2.98Å; I756-R758 VanDerWaalsContact C-N 3.35Å; I756-R758 PolarHBondContact O-N 3.47Å; I756-E759 PolarHBondContact O-N 3.13Å; I756-N760 WeakPolarHBondContact O-CB 3.47Å; I756-N760 VanDerWaalsContact O-CG 3.32Å; I756-N760 PolarHBondContact O-N 3.44Å; I756-N760 PolarHBondContact O-ND2 2.64Å
757	F	89.1	Confident	84.3	Confident	31 Å²	31	66.9 Å²	66.9	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-45.5	175.6	174.2	-93.9	0	0	0	111.6	E684 F687 R753 T755 N760 Q761	E684-F757 HydrophobicContact CB-CE1 4.32Å; E684-F757 HydrophobicContact CG-CE1 4.29Å; F687-F757 HydrophobicContact CB-CD1 4.37Å; F687-F757 HydrophobicContact CB-CD2 4.06Å; F687-F757 HydrophobicContact CB-CE1 3.93Å; F687-F757 HydrophobicContact CB-CE2 3.57Å; F687-F757 HydrophobicContact CB-CG 4.44Å; F687-F757 HydrophobicContact CB-CZ 3.5Å; F687-F757 VanDerWaalsContact CB-CZ 3.5Å; F687-F757 HydrophobicContact CD1-CB 4.12Å; F687-F757 AromaticContact CD1-CD1 3.63Å; F687-F757 HydrophobicContact CD1-CD1 3.63Å; F687-F757 AromaticContact CD1-CD2 3.92Å; F687-F757 HydrophobicContact CD1-CD2 3.92Å; F687-F757 HydrophobicContact CD1-CE1 4.01Å; F687-F757 HydrophobicContact CD1-CE2 4.26Å; F687-F757 AromaticContact CD1-CG 3.58Å; F687-F757 HydrophobicContact CD1-CG 3.58Å; F687-F757 HydrophobicContact CD1-CZ 4.31Å; F687-F757 HydrophobicContact CD2-CB 4.5Å; F687-F757 AromaticContact CD2-CD2 3.41Å; F687-F757 HydrophobicContact CD2-CD2 3.41Å; F687-F757 VanDerWaalsContact CD2-CD2 3.41Å; F687-F757 AromaticContact CD2-CE2 3.7Å; F687-F757 HydrophobicContact CD2-CE2 3.7Å; F687-F757 AromaticContact CD2-CG 3.91Å; F687-F757 HydrophobicContact CD2-CG 3.91Å; F687-F757 HydrophobicContact CD2-CZ 4.43Å; F687-F757 HydrophobicContact CE1-CB 3.66Å; F687-F757 HydrophobicContact CE1-CD1 4.03Å; F687-F757 HydrophobicContact CE1-CD2 4.2Å; F687-F757 AromaticContact CE1-CG 3.68Å; F687-F757 HydrophobicContact CE1-CG 3.68Å; F687-F757 HydrophobicContact CE2-CB 4.08Å; F687-F757 AromaticContact CE2-CD2 3.72Å; F687-F757 HydrophobicContact CE2-CD2 3.72Å; F687-F757 HydrophobicContact CE2-CE2 4.46Å; F687-F757 AromaticContact CE2-CG 4Å; F687-F757 HydrophobicContact CE2-CG 4Å; F687-F757 AromaticContact CG-CD1 3.95Å; F687-F757 HydrophobicContact CG-CD1 3.95Å; F687-F757 AromaticContact CG-CD2 3.51Å; F687-F757 HydrophobicContact CG-CD2 3.51Å; F687-F757 HydrophobicContact CG-CE1 4.03Å; F687-F757 AromaticContact CG-CE2 3.58Å; F687-F757 HydrophobicContact CG-CE2 3.58Å; F687-F757 AromaticContact CG-CG 3.7Å; F687-F757 HydrophobicContact CG-CG 3.7Å; F687-F757 AromaticContact CG-CZ 3.84Å; F687-F757 HydrophobicContact CG-CZ 3.84Å; F687-F757 HydrophobicContact CZ-CB 3.64Å; F687-F757 HydrophobicContact CZ-CD2 4.11Å; F687-F757 AromaticContact CZ-CG 3.88Å; F687-F757 HydrophobicContact CZ-CG 3.88Å; R753-F757 WeakPolarHBondContact O-CB 3.49Å; R753-F757 PolarHBondContact O-N 2.79Å; T755-F757 VanDerWaalsContact C-N 3.32Å; T755-F757 PolarHBondContact O-N 3.22Å; F757-N760 PolarHBondContact O-N 2.82Å; F757-Q761 HydrophobicContact CE1-CB 4.42Å; F757-Q761 VanDerWaalsContact O-CB 3.24Å; F757-Q761 WeakPolarHBondContact O-CB 3.42Å; F757-Q761 PolarHBondContact O-N 2.68Å
758	R	85.7	Confident	86.4	Confident	80 Å²	80	67.8 Å²	67.8	30%	0.302	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-49	178.5	178.9	-174.9	-84.9	179.1	-4.1	111.4	Y713 L754 T755 I756 N760 Q761 E762	Y713-R758 PolarHBondContact OH-NE 3.08Å; Y713-R758 PolarHBondContact OH-NH2 3.45Å; L754-R758 WeakPolarHBondContact O-CB 3.18Å; L754-R758 PolarHBondContact O-N 2.81Å; T755-R758 PolarHBondContact O-N 3.38Å; T755-R758 VanDerWaalsContact O-N 3.12Å; I756-R758 VanDerWaalsContact C-N 3.35Å; I756-R758 PolarHBondContact O-N 3.47Å; R758-N760 VanDerWaalsContact C-N 3.33Å; R758-N760 PolarHBondContact O-N 2.78Å; R758-Q761 PolarHBondContact O-N 3.06Å; R758-E762 VanDerWaalsContact O-CB 3.28Å; R758-E762 WeakPolarHBondContact O-CB 3.31Å; R758-E762 PolarHBondContact O-N 3.29Å
759	E	87	Confident	87.5	Confident	116 Å²	116	67.7 Å²	67.7	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-44.8	179.6	-72.1	174.4	173.6	0	0	111.3	T755 I756 E762 S763	T755-E759 HydrophobicContact CG2-CG 4.46Å; T755-E759 WeakPolarHBondContact O-CG 3.34Å; T755-E759 PolarHBondContact O-N 3.48Å; I756-E759 PolarHBondContact O-N 3.13Å; E759-E762 PolarHBondContact O-N 3.28Å; E759-S763 VanDerWaalsContact O-CB 3.29Å; E759-S763 WeakPolarHBondContact O-CB 3.46Å; E759-S763 PolarHBondContact O-N 3.17Å
760	N	90.6	Very high	88.1	Confident	92 Å²	92	68.9 Å²	68.9	49%	0.492	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-36.7	176.6	-73.8	-22.8	0	0	0	112.7	I756 F757 R758 R764	I756-N760 WeakPolarHBondContact O-CB 3.47Å; I756-N760 VanDerWaalsContact O-CG 3.32Å; I756-N760 PolarHBondContact O-N 3.44Å; I756-N760 PolarHBondContact O-ND2 2.64Å; F757-N760 PolarHBondContact O-N 2.82Å; R758-N760 VanDerWaalsContact C-N 3.33Å; R758-N760 PolarHBondContact O-N 2.78Å; N760-R764 WeakPolarHBondContact O-CB 3.36Å; N760-R764 VanDerWaalsContact O-CG 3.26Å; N760-R764 WeakPolarHBondContact O-CG 3.37Å; N760-R764 PolarHBondContact O-N 3.24Å; N760-R764 VanDerWaalsContact O-N 3.08Å; N760-R764 PolarHBondContact O-NE 2.96Å
761	Q	88.6	Confident	88.6	Confident	19 Å²	19	73 Å²	73	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-45.9	175.4	-178.6	-175.4	57.8	0	0	111.3	T680 F757 R758 R764 M765	T680-Q761 PolarHBondContact O-NE2 3.2Å; F757-Q761 HydrophobicContact CE1-CB 4.42Å; F757-Q761 VanDerWaalsContact O-CB 3.24Å; F757-Q761 WeakPolarHBondContact O-CB 3.42Å; F757-Q761 PolarHBondContact O-N 2.68Å; R758-Q761 PolarHBondContact O-N 3.06Å; Q761-R764 PolarHBondContact O-N 3.05Å; Q761-M765 VanDerWaalsContact O-CB 3.24Å; Q761-M765 WeakPolarHBondContact O-CB 3.5Å; Q761-M765 PolarHBondContact O-N 3.27Å
762	E	87.1	Confident	89.2	Confident	99 Å²	99	72.7 Å²	72.7	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-45	177.2	-178.3	173.9	-179.7	0	0	110.8	R758 E759 M765 N766	R758-E762 VanDerWaalsContact O-CB 3.28Å; R758-E762 WeakPolarHBondContact O-CB 3.31Å; R758-E762 PolarHBondContact O-N 3.29Å; E759-E762 PolarHBondContact O-N 3.28Å; E762-M765 PolarHBondContact O-N 3.09Å; E762-N766 WeakPolarHBondContact CG-ND2 3.29Å; E762-N766 VanDerWaalsContact O-CB 3.25Å; E762-N766 WeakPolarHBondContact O-CB 3.22Å; E762-N766 PolarHBondContact O-N 3.2Å; E762-N766 PolarHBondContact O-ND2 2.94Å
763	S	90.4	Very high	89.7	Confident	78 Å²	78	69.2 Å²	69.2	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-50.9	175.2	-179.1	0	0	0	0	112.2	E759 M765 N766 S767	E759-S763 VanDerWaalsContact O-CB 3.29Å; E759-S763 WeakPolarHBondContact O-CB 3.46Å; E759-S763 PolarHBondContact O-N 3.17Å; S763-M765 PolarHBondContact O-N 3.13Å; S763-N766 PolarHBondContact O-N 2.96Å; S763-S767 WeakPolarHBondContact O-CB 3.3Å; S763-S767 PolarHBondContact O-N 3.23Å
764	R	92.4	Very high	90	Very high	104 Å²	104	68 Å²	68	39%	0.392	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-43.1	177.4	-72.6	-178.6	-61.1	137.1	6.6	112.3	E683 N760 Q761 S767 R768	E683-R764 IonicContact OE1-NH1 3.02Å; E683-R764 IonicContact OE2-CZ 2.78Å; E683-R764 VanDerWaalsContact OE2-CZ 3.32Å; E683-R764 IonicContact OE2-NH1 3.66Å; E683-R764 PolarHBondContact OE2-NH1 2.65Å; E683-R764 IonicContact OE2-NH2 2.73Å; E683-R764 PolarHBondContact OE2-NH2 2.69Å; N760-R764 WeakPolarHBondContact O-CB 3.36Å; N760-R764 VanDerWaalsContact O-CG 3.26Å; N760-R764 WeakPolarHBondContact O-CG 3.37Å; N760-R764 PolarHBondContact O-N 3.24Å; N760-R764 VanDerWaalsContact O-N 3.08Å; N760-R764 PolarHBondContact O-NE 2.96Å; Q761-R764 PolarHBondContact O-N 3.05Å; R764-S767 PolarHBondContact O-N 2.81Å; R764-R768 WeakPolarHBondContact O-CG 2.97Å; R764-R768 PolarHBondContact O-N 3.46Å
765	M	90.6	Very high	90.3	Very high	46 Å²	46	72 Å²	72	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-48.7	178.2	-179	-179.1	67.2	0	0	111.2	I676 T680 Q761 E762 S763 S767 R768 I769	I676-M765 HydrophobicContact CG2-CG 3.98Å; T680-M765 HydrophobicContact CG2-CB 3.88Å; T680-M765 HydrophobicContact CG2-CG 3.85Å; T680-M765 HydrophobicContact CG2-SD 3.97Å; Q761-M765 VanDerWaalsContact O-CB 3.24Å; Q761-M765 WeakPolarHBondContact O-CB 3.5Å; Q761-M765 PolarHBondContact O-N 3.27Å; E762-M765 PolarHBondContact O-N 3.09Å; S763-M765 PolarHBondContact O-N 3.13Å; M765-S767 VanDerWaalsContact C-N 3.3Å; M765-S767 PolarHBondContact O-N 3.28Å; M765-R768 PolarHBondContact O-N 3.41Å; M765-I769 HydrophobicContact CG-CD1 3.81Å; M765-I769 HydrophobicContact CG-CG1 4.45Å; M765-I769 WeakPolarHBondContact O-CG1 3.35Å; M765-I769 PolarHBondContact O-N 3.45Å; M765-I769 HydrophobicContact SD-CD1 4.47Å
766	N	90.3	Very high	90.8	Very high	79 Å²	79	69.8 Å²	69.8	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-38.7	179.5	-72.9	-20.1	0	0	0	111.4	E762 S763 I769 Y770	E762-N766 WeakPolarHBondContact CG-ND2 3.29Å; E762-N766 VanDerWaalsContact O-CB 3.25Å; E762-N766 WeakPolarHBondContact O-CB 3.22Å; E762-N766 PolarHBondContact O-N 3.2Å; E762-N766 PolarHBondContact O-ND2 2.94Å; S763-N766 PolarHBondContact O-N 2.96Å; N766-I769 PolarHBondContact O-N 3.29Å; N766-Y770 WeakPolarHBondContact O-CB 3.28Å; N766-Y770 PolarHBondContact O-N 2.73Å
767	S	92.5	Very high	90.9	Very high	64 Å²	64	67.4 Å²	67.4	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-49.7	172.7	-168.2	0	0	0	0	111.7	S763 R764 M765 I769 Y770 D771	S763-S767 WeakPolarHBondContact O-CB 3.3Å; S763-S767 PolarHBondContact O-N 3.23Å; R764-S767 PolarHBondContact O-N 2.81Å; M765-S767 VanDerWaalsContact C-N 3.3Å; M765-S767 PolarHBondContact O-N 3.28Å; S767-I769 VanDerWaalsContact C-N 3.33Å; S767-I769 PolarHBondContact O-N 2.73Å; S767-Y770 WeakPolarHBondContact O-CB 3.28Å; S767-Y770 PolarHBondContact O-N 2.82Å; S767-Y770 VanDerWaalsContact O-N 3.16Å; S767-D771 PolarHBondContact O-N 3.37Å
768	R	94.3	Very high	91	Very high	102 Å²	102	73.4 Å²	73.4	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-40.9	177.9	-71.8	-178.5	-177	176.8	3.6	112.5	I676 E679 R764 M765 Y770 D771 L772	I676-R768 HydrophobicContact CD1-CB 4.1Å; E679-R768 IonicContact OE2-NH1 2.78Å; R764-R768 WeakPolarHBondContact O-CG 2.97Å; R764-R768 PolarHBondContact O-N 3.46Å; M765-R768 PolarHBondContact O-N 3.41Å; R768-Y770 VanDerWaalsContact C-N 3.33Å; R768-D771 PolarHBondContact O-N 3.46Å; R768-L772 WeakPolarHBondContact O-CB 3.43Å; R768-L772 PolarHBondContact O-N 3.11Å
769	I	91.6	Very high	91.4	Very high	33 Å²	33	74.6 Å²	74.6	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-40.3	176.6	-70.5	171.2	0	0	0	110.7	M673 I676 M765 N766 S767 H773	M673-I769 HydrophobicContact CE-CD1 4.24Å; M673-I769 HydrophobicContact CE-CG1 4.19Å; M673-I769 HydrophobicContact CE-CG2 4.05Å; M673-I769 HydrophobicContact SD-CB 4.47Å; M673-I769 HydrophobicContact SD-CG1 4.05Å; M673-I769 HydrophobicContact SD-CG2 4.03Å; I676-I769 HydrophobicContact CD1-CG1 4.46Å; I676-I769 HydrophobicContact CG2-CG1 4.21Å; M765-I769 HydrophobicContact CG-CD1 3.81Å; M765-I769 HydrophobicContact CG-CG1 4.45Å; M765-I769 WeakPolarHBondContact O-CG1 3.35Å; M765-I769 PolarHBondContact O-N 3.45Å; M765-I769 HydrophobicContact SD-CD1 4.47Å; N766-I769 PolarHBondContact O-N 3.29Å; S767-I769 VanDerWaalsContact C-N 3.33Å; S767-I769 PolarHBondContact O-N 2.73Å; I769-H773 WeakPolarHBondContact O-CB 3.42Å; I769-H773 PolarHBondContact O-N 3.44Å
770	Y	92.2	Very high	91.6	Very high	133 Å²	133	71.9 Å²	71.9	52%	0.522	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-46.9	177.2	178.6	-97.7	0	0	0	111.8	N766 S767 R768 H773 N774	N766-Y770 WeakPolarHBondContact O-CB 3.28Å; N766-Y770 PolarHBondContact O-N 2.73Å; S767-Y770 WeakPolarHBondContact O-CB 3.28Å; S767-Y770 PolarHBondContact O-N 2.82Å; S767-Y770 VanDerWaalsContact O-N 3.16Å; R768-Y770 VanDerWaalsContact C-N 3.33Å; Y770-H773 WeakPolarHBondContact O-CB 3.48Å; Y770-H773 PolarHBondContact O-N 2.91Å; Y770-N774 WeakPolarHBondContact CD1-ND2 3.45Å; Y770-N774 WeakPolarHBondContact CE1-ND2 3.41Å; Y770-N774 VanDerWaalsContact CZ-ND2 3.31Å; Y770-N774 PolarHBondContact O-N 2.99Å
771	D	93	Very high	91.6	Very high	89 Å²	89	70 Å²	70	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-45.2	178.3	-65.5	-31	0	0	0	111.7	S767 R768 H773 N774 E775	S767-D771 PolarHBondContact O-N 3.37Å; R768-D771 PolarHBondContact O-N 3.46Å; D771-H773 VanDerWaalsContact C-N 3.29Å; D771-H773 PolarHBondContact O-N 3.5Å; D771-N774 PolarHBondContact O-N 2.96Å; D771-E775 PolarHBondContact O-N 2.86Å
772	L	93.3	Very high	91.8	Very high	22 Å²	22	74 Å²	74	12%	0.115	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-40.7	174.8	179.4	64	0	0	0	111.6	F669 E672 M673 I676 R768 E775 Y776	F669-L772 HydrophobicContact CD2-CD1 4.28Å; F669-L772 HydrophobicContact CD2-CD2 4.09Å; F669-L772 HydrophobicContact CD2-CG 3.81Å; F669-L772 HydrophobicContact CE2-CD2 3.94Å; F669-L772 HydrophobicContact CE2-CG 3.71Å; E672-L772 HydrophobicContact CB-CD1 4.03Å; E672-L772 HydrophobicContact CB-CD2 3.91Å; E672-L772 HydrophobicContact CG-CD1 3.74Å; E672-L772 HydrophobicContact CG-CD2 3.84Å; E672-L772 HydrophobicContact CG-CG 4.42Å; M673-L772 HydrophobicContact CG-CD2 3.73Å; M673-L772 HydrophobicContact SD-CD2 3.74Å; I676-L772 HydrophobicContact CD1-CD2 3.86Å; R768-L772 WeakPolarHBondContact O-CB 3.43Å; R768-L772 PolarHBondContact O-N 3.11Å; L772-E775 PolarHBondContact O-N 2.85Å; L772-Y776 WeakPolarHBondContact O-CB 3.33Å; L772-Y776 PolarHBondContact O-N 2.92Å
773	H	92.5	Very high	92	Very high	33 Å²	33	70.4 Å²	70.4	15%	0.153	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-44.5	175.8	-106.4	-51.7	0	0	0	112.6	F669 I769 Y770 D771 E775 N777 R993	F669-H773 AromaticContact CE1-CE1 3.95Å; F669-H773 AromaticContact CE2-CE1 3.8Å; F669-H773 AromaticContact CE2-ND1 3.82Å; F669-H773 AromaticContact CZ-CE1 3.18Å; F669-H773 WeakPolarHBondContact CZ-CE1 3.34Å; F669-H773 AromaticContact CZ-ND1 3.68Å; F669-H773 AromaticContact CZ-NE2 3.45Å; F669-H773 WeakPolarHBondContact CZ-NE2 3.02Å; I769-H773 WeakPolarHBondContact O-CB 3.42Å; I769-H773 PolarHBondContact O-N 3.44Å; Y770-H773 WeakPolarHBondContact O-CB 3.48Å; Y770-H773 PolarHBondContact O-N 2.91Å; D771-H773 VanDerWaalsContact C-N 3.29Å; D771-H773 PolarHBondContact O-N 3.5Å; H773-E775 VanDerWaalsContact C-N 3.34Å; H773-N777 VanDerWaalsContact O-CB 3.29Å; H773-N777 WeakPolarHBondContact O-CB 3.46Å; H773-N777 PolarHBondContact O-N 3.19Å; H773-N777 PolarHBondContact O-ND2 3.33Å; H773-R993 PolarHBondContact CE1-NE 3.37Å; H773-R993 PolarHBondContact CE1-NH1 3.06Å; H773-R993 VanDerWaalsContact CE1-NH1 3.31Å; H773-R993 PolarHBondContact CE1-NH2 2.94Å; H773-R993 PolarHBondContact NE2-NH2 3.3Å; H773-R993 VanDerWaalsContact NE2-NH2 3.14Å
774	N	91.6	Very high	92.1	Very high	53 Å²	53	68.3 Å²	68.3	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-41.7	177.6	-72.5	-21.3	0	0	0	111.5	Y770 D771 N777 K778	Y770-N774 WeakPolarHBondContact CD1-ND2 3.45Å; Y770-N774 WeakPolarHBondContact CE1-ND2 3.41Å; Y770-N774 VanDerWaalsContact CZ-ND2 3.31Å; Y770-N774 PolarHBondContact O-N 2.99Å; D771-N774 PolarHBondContact O-N 2.96Å; N774-N777 PolarHBondContact O-N 3.04Å; N774-K778 VanDerWaalsContact O-CG 3.28Å; N774-K778 WeakPolarHBondContact O-CG 3.45Å; N774-K778 PolarHBondContact O-N 2.85Å
775	E	92.7	Very high	92	Very high	87 Å²	87	65.5 Å²	65.5	41%	0.407	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-48.8	176.6	-173.4	179.4	-167.2	0	0	112.1	D771 L772 H773 N777 K778 R779	D771-E775 PolarHBondContact O-N 2.86Å; L772-E775 PolarHBondContact O-N 2.85Å; H773-E775 VanDerWaalsContact C-N 3.34Å; E775-N777 VanDerWaalsContact C-N 3.29Å; E775-N777 PolarHBondContact O-N 3.31Å; E775-K778 PolarHBondContact O-N 2.9Å; E775-R779 WeakPolarHBondContact O-CG 3.43Å; E775-R779 PolarHBondContact O-N 3.11Å; E775-R779 IonicContact OE1-CZ 2.6Å; E775-R779 VanDerWaalsContact OE1-CZ 3.29Å; E775-R779 IonicContact OE1-NE 2.99Å; E775-R779 PolarHBondContact OE1-NE 3.45Å; E775-R779 IonicContact OE1-NH2 2.83Å; E775-R779 PolarHBondContact OE1-NH2 3.1Å
776	Y	93.2	Very high	92.1	Very high	27 Å²	27	68 Å²	68	11%	0.106	32%	0.324	C	S	.	.	H	α-helix	trans	-55	-46.5	174.9	167.4	-93.8	0	0	0	111.5	L665 D666 F669 L772 R779 R780	L665-Y776 HydrophobicContact CD1-CD2 4.23Å; L665-Y776 HydrophobicContact CD2-CD2 3.93Å; L665-Y776 HydrophobicContact CD2-CE2 3.86Å; L665-Y776 HydrophobicContact CG-CD2 3.69Å; L665-Y776 HydrophobicContact CG-CE2 3.71Å; D666-Y776 VanDerWaalsContact OD1-CE2 3.28Å; D666-Y776 WeakPolarHBondContact OD1-CE2 3.39Å; D666-Y776 VanDerWaalsContact OD1-CZ 3.29Å; D666-Y776 PolarHBondContact OD1-OH 2.76Å; F669-Y776 HydrophobicContact CB-CD2 3.58Å; F669-Y776 HydrophobicContact CB-CE2 4.02Å; F669-Y776 HydrophobicContact CB-CG 4.31Å; F669-Y776 HydrophobicContact CD2-CD1 4.49Å; F669-Y776 AromaticContact CD2-CD2 3.89Å; F669-Y776 HydrophobicContact CD2-CD2 3.89Å; F669-Y776 AromaticContact CD2-CG 3.72Å; F669-Y776 HydrophobicContact CD2-CG 3.72Å; F669-Y776 HydrophobicContact CE2-CG 4.32Å; F669-Y776 AromaticContact CG-CD2 3.79Å; F669-Y776 HydrophobicContact CG-CD2 3.79Å; F669-Y776 HydrophobicContact CG-CE2 4.3Å; F669-Y776 HydrophobicContact CG-CG 4.05Å; L772-Y776 WeakPolarHBondContact O-CB 3.33Å; L772-Y776 PolarHBondContact O-N 2.92Å; Y776-R779 PolarHBondContact O-N 2.85Å; Y776-R780 VanDerWaalsContact O-CB 3.26Å; Y776-R780 WeakPolarHBondContact O-CB 3.12Å; Y776-R780 PolarHBondContact O-N 2.94Å
777	N	90.3	Very high	92.3	Very high	28 Å²	28	66.3 Å²	66.3	15%	0.15	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-43.7	178.6	-74.7	-28.3	0	0	0	111.9	H773 N774 E775 R779 R780 N781 H990	H773-N777 VanDerWaalsContact O-CB 3.29Å; H773-N777 WeakPolarHBondContact O-CB 3.46Å; H773-N777 PolarHBondContact O-N 3.19Å; H773-N777 PolarHBondContact O-ND2 3.33Å; N774-N777 PolarHBondContact O-N 3.04Å; E775-N777 VanDerWaalsContact C-N 3.29Å; E775-N777 PolarHBondContact O-N 3.31Å; N777-R779 PolarHBondContact O-N 3.05Å; N777-R780 PolarHBondContact O-N 2.95Å; N777-N781 WeakPolarHBondContact O-CB 3.14Å; N777-N781 PolarHBondContact O-N 2.98Å; N777-N781 PolarHBondContact O-ND2 2.75Å; N777-N781 PolarHBondContact O-OD1 3.21Å; N777-H990 VanDerWaalsContact CG-CE1 3.45Å; N777-H990 PolarHBondContact ND2-CE1 2.63Å
778	K	91.7	Very high	92.3	Very high	157 Å²	157	63.9 Å²	63.9	68%	0.683	29%	0.294	S	S	*	.	H	α-helix	trans	-59	-48	175.5	-75.6	172.6	-177.8	179.6	0	111.6	N774 E775 N781 L782	N774-K778 VanDerWaalsContact O-CG 3.28Å; N774-K778 WeakPolarHBondContact O-CG 3.45Å; N774-K778 PolarHBondContact O-N 2.85Å; E775-K778 PolarHBondContact O-N 2.9Å; K778-N781 PolarHBondContact O-N 2.67Å; K778-L782 PolarHBondContact O-N 3.31Å
779	R	94.4	Very high	92.2	Very high	105 Å²	105	63 Å²	63	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-43.1	178.4	-68.9	-176	-169.8	178.5	0.8	112	L665 E668 E775 Y776 N777 N781 L782 I783	L665-R779 HydrophobicContact CD1-CB 3.89Å; L665-R779 HydrophobicContact CD2-CB 4.09Å; E668-R779 IonicContact OE2-NH1 3.01Å; E668-R779 PolarHBondContact OE2-NH1 3.24Å; E775-R779 WeakPolarHBondContact O-CG 3.43Å; E775-R779 PolarHBondContact O-N 3.11Å; E775-R779 IonicContact OE1-CZ 2.6Å; E775-R779 VanDerWaalsContact OE1-CZ 3.29Å; E775-R779 IonicContact OE1-NE 2.99Å; E775-R779 PolarHBondContact OE1-NE 3.45Å; E775-R779 IonicContact OE1-NH2 2.83Å; E775-R779 PolarHBondContact OE1-NH2 3.1Å; Y776-R779 PolarHBondContact O-N 2.85Å; N777-R779 PolarHBondContact O-N 3.05Å; R779-N781 VanDerWaalsContact C-N 3.32Å; R779-N781 PolarHBondContact O-N 3.12Å; R779-L782 PolarHBondContact O-N 2.97Å; R779-I783 WeakPolarHBondContact O-CG1 3.36Å; R779-I783 PolarHBondContact O-N 3.18Å
780	R	91.4	Very high	92.5	Very high	60 Å²	60	65.5 Å²	65.5	23%	0.226	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-46.5	174.9	173	176.3	177.1	-147.2	-1.4	111.4	M662 L665 Y776 N777 L782 I783 H784	M662-R780 HydrophobicContact CE-CB 4.48Å; M662-R780 HydrophobicContact CE-CG 3.8Å; M662-R780 HydrophobicContact SD-CG 4.14Å; L665-R780 HydrophobicContact CD2-CB 3.83Å; Y776-R780 VanDerWaalsContact O-CB 3.26Å; Y776-R780 WeakPolarHBondContact O-CB 3.12Å; Y776-R780 PolarHBondContact O-N 2.94Å; N777-R780 PolarHBondContact O-N 2.95Å; R780-L782 VanDerWaalsContact C-N 3.33Å; R780-I783 PolarHBondContact O-N 3.49Å; R780-H784 WeakPolarHBondContact O-CB 3.31Å; R780-H784 PolarHBondContact O-N 2.98Å
781	N	88.9	Confident	92.6	Very high	52 Å²	52	59.4 Å²	59.4	28%	0.278	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-38	-179.2	-62.8	0.5	0	0	0	111.4	N777 K778 R779 S785 L986	N777-N781 WeakPolarHBondContact O-CB 3.14Å; N777-N781 PolarHBondContact O-N 2.98Å; N777-N781 PolarHBondContact O-ND2 2.75Å; N777-N781 PolarHBondContact O-OD1 3.21Å; K778-N781 PolarHBondContact O-N 2.67Å; R779-N781 VanDerWaalsContact C-N 3.32Å; R779-N781 PolarHBondContact O-N 3.12Å; N781-S785 WeakPolarHBondContact O-CB 3.38Å; N781-S785 PolarHBondContact O-N 3.44Å; N781-L986 HydrophobicContact CB-CD2 4.15Å; N781-L986 WeakPolarHBondContact OD1-CD2 3.36Å
782	L	92.5	Very high	92.7	Very high	103 Å²	103	55.5 Å²	55.5	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-53.7	175.1	-179.6	62.5	0	0	0	111.5	K778 R779 R780 H784 S785 E786	K778-L782 PolarHBondContact O-N 3.31Å; R779-L782 PolarHBondContact O-N 2.97Å; R780-L782 VanDerWaalsContact C-N 3.33Å; L782-H784 PolarHBondContact O-N 2.76Å; L782-S785 PolarHBondContact O-N 2.83Å; L782-S785 VanDerWaalsContact O-N 3.09Å; L782-E786 HydrophobicContact CD1-CG 4.46Å; L782-E786 WeakPolarHBondContact O-CG 3.26Å; L782-E786 PolarHBondContact O-N 3.3Å
783	I	93.1	Very high	92.8	Very high	23 Å²	23	57.9 Å²	57.9	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-40.5	178.4	-68	169	0	0	0	110.9	Y658 Q661 M662 L665 R779 R780 E786 Y787	Y658-I783 HydrophobicContact CD2-CG2 3.87Å; Y658-I783 HydrophobicContact CE2-CG2 4.07Å; Q661-I783 HydrophobicContact CB-CD1 4.41Å; Q661-I783 HydrophobicContact CB-CG2 3.9Å; M662-I783 HydrophobicContact SD-CG2 4.22Å; L665-I783 HydrophobicContact CB-CD1 4.47Å; L665-I783 HydrophobicContact CD2-CD1 4.07Å; R779-I783 WeakPolarHBondContact O-CG1 3.36Å; R779-I783 PolarHBondContact O-N 3.18Å; R780-I783 PolarHBondContact O-N 3.49Å; I783-E786 PolarHBondContact O-N 3.21Å; I783-Y787 WeakPolarHBondContact O-CB 3.44Å; I783-Y787 PolarHBondContact O-N 3.06Å
784	H	91.1	Very high	93.1	Very high	35 Å²	35	57.5 Å²	57.5	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-41.6	177.9	-172.5	58.4	0	0	0	112.7	Y658 R780 L782 E786 Y787 L788 D982	Y658-H784 HydrophobicContact CE2-CB 4.15Å; Y658-H784 AromaticContact CE2-ND1 3.81Å; Y658-H784 AromaticContact CZ-ND1 3.61Å; Y658-H784 PolarHBondContact OH-ND1 3.47Å; R780-H784 WeakPolarHBondContact O-CB 3.31Å; R780-H784 PolarHBondContact O-N 2.98Å; L782-H784 PolarHBondContact O-N 2.76Å; H784-E786 VanDerWaalsContact C-N 3.35Å; H784-Y787 PolarHBondContact O-N 3.36Å; H784-L788 PolarHBondContact O-N 3.47Å; H784-D982 IonicContact NE2-OD2 2.86Å
785	S	90.7	Very high	93.3	Very high	45 Å²	45	58.9 Å²	58.9	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-37.8	175.3	-173	0	0	0	0	112.4	N781 L782 N789 Y979	N781-S785 WeakPolarHBondContact O-CB 3.38Å; N781-S785 PolarHBondContact O-N 3.44Å; L782-S785 PolarHBondContact O-N 2.83Å; L782-S785 VanDerWaalsContact O-N 3.09Å; S785-N789 WeakPolarHBondContact O-CB 3.4Å; S785-N789 PolarHBondContact O-N 3.47Å; S785-N789 PolarHBondContact O-ND2 3.49Å; S785-Y979 PolarHBondContact O-OH 3.33Å
786	E	93.1	Very high	93.4	Very high	97 Å²	97	56.2 Å²	56.2	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-45.2	174.8	-72.3	172.9	175.7	0	0	111.2	L782 I783 H784 N789 E790	L782-E786 HydrophobicContact CD1-CG 4.46Å; L782-E786 WeakPolarHBondContact O-CG 3.26Å; L782-E786 PolarHBondContact O-N 3.3Å; I783-E786 PolarHBondContact O-N 3.21Å; H784-E786 VanDerWaalsContact C-N 3.35Å; E786-N789 PolarHBondContact O-N 3.46Å; E786-E790 WeakPolarHBondContact O-CB 3.26Å; E786-E790 PolarHBondContact O-N 3.04Å
787	Y	94.1	Very high	93.5	Very high	45 Å²	45	58 Å²	58	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-47.5	174.7	159.1	-101.4	0	0	0	112.7	I655 Y658 I783 H784 N789 E790 I791	I655-Y787 HydrophobicContact CB-CE2 4.45Å; I655-Y787 HydrophobicContact CG1-CE2 3.83Å; Y658-Y787 VanDerWaalsContact CB-CD2 3.49Å; Y658-Y787 HydrophobicContact CD1-CD1 4.37Å; Y658-Y787 HydrophobicContact CD1-CD2 4.28Å; Y658-Y787 HydrophobicContact CD1-CE2 4.48Å; Y658-Y787 HydrophobicContact CD1-CG 4.21Å; Y658-Y787 HydrophobicContact CD2-CD1 4.29Å; Y658-Y787 HydrophobicContact CD2-CD2 4.37Å; Y658-Y787 AromaticContact CD2-CG 3.81Å; Y658-Y787 HydrophobicContact CD2-CG 3.81Å; Y658-Y787 HydrophobicContact CE2-CG 4.46Å; Y658-Y787 HydrophobicContact CG-CD1 4.21Å; Y658-Y787 AromaticContact CG-CD2 3.8Å; Y658-Y787 HydrophobicContact CG-CD2 3.8Å; Y658-Y787 HydrophobicContact CG-CE2 4.42Å; Y658-Y787 AromaticContact CG-CG 3.67Å; Y658-Y787 HydrophobicContact CG-CG 3.67Å; I783-Y787 WeakPolarHBondContact O-CB 3.44Å; I783-Y787 PolarHBondContact O-N 3.06Å; H784-Y787 PolarHBondContact O-N 3.36Å; Y787-N789 VanDerWaalsContact C-N 3.35Å; Y787-N789 PolarHBondContact O-N 3.26Å; Y787-E790 PolarHBondContact O-N 3.45Å; Y787-I791 HydrophobicContact CD2-CG1 3.98Å; Y787-I791 HydrophobicContact CE2-CD1 4Å; Y787-I791 HydrophobicContact CE2-CG1 3.46Å; Y787-I791 VanDerWaalsContact CE2-CG1 3.46Å; Y787-I791 WeakPolarHBondContact O-CG1 3.3Å; Y787-I791 PolarHBondContact O-N 3.32Å
788	L	92.3	Very high	93.8	Very high	13 Å²	13	59 Å²	59	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-45	178.3	-74.6	176.4	0	0	0	110.9	H784 E790 I791 H792 Y979 D982	H784-L788 PolarHBondContact O-N 3.47Å; L788-E790 VanDerWaalsContact C-N 3.32Å; L788-E790 PolarHBondContact O-N 3.49Å; L788-I791 PolarHBondContact O-N 3.2Å; L788-H792 VanDerWaalsContact O-CB 3.32Å; L788-H792 WeakPolarHBondContact O-CB 3.39Å; L788-H792 PolarHBondContact O-N 3.17Å; L788-H792 PolarHBondContact O-ND1 2.83Å; L788-Y979 HydrophobicContact CB-CE1 3.82Å; L788-Y979 WeakPolarHBondContact CB-OH 3.5Å; L788-Y979 HydrophobicContact CD1-CD1 3.99Å; L788-Y979 HydrophobicContact CD1-CE1 3.76Å; L788-Y979 HydrophobicContact CG-CE1 4.47Å; L788-D982 HydrophobicContact CD1-CB 4.47Å
789	N	93.1	Very high	93.9	Very high	83 Å²	83	53 Å²	53	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-41.9	176.1	-82.9	-37.5	0	0	0	112.2	S785 E786 Y787 T793 Y979	S785-N789 WeakPolarHBondContact O-CB 3.4Å; S785-N789 PolarHBondContact O-N 3.47Å; S785-N789 PolarHBondContact O-ND2 3.49Å; E786-N789 PolarHBondContact O-N 3.46Å; Y787-N789 VanDerWaalsContact C-N 3.35Å; Y787-N789 PolarHBondContact O-N 3.26Å; N789-T793 VanDerWaalsContact O-CB 3.27Å; N789-T793 WeakPolarHBondContact O-CB 3.48Å; N789-T793 PolarHBondContact O-N 3.25Å; N789-T793 PolarHBondContact O-OG1 3.3Å; N789-Y979 WeakPolarHBondContact CA-OH 3.5Å; N789-Y979 PolarHBondContact N-OH 3.33Å; N789-Y979 PolarHBondContact ND2-OH 2.99Å; N789-Y979 PolarHBondContact OD1-OH 3.46Å
790	E	96.4	Very high	94	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-48.7	177.6	-171.7	178.2	-172.8	0	0	111.2	A654 E786 Y787 L788 T793 L794	A654-E790 HydrophobicContact CB-CG 4.07Å; E786-E790 WeakPolarHBondContact O-CB 3.26Å; E786-E790 PolarHBondContact O-N 3.04Å; Y787-E790 PolarHBondContact O-N 3.45Å; L788-E790 VanDerWaalsContact C-N 3.32Å; L788-E790 PolarHBondContact O-N 3.49Å; E790-T793 PolarHBondContact O-N 2.96Å; E790-L794 HydrophobicContact CG-CD1 4.45Å; E790-L794 WeakPolarHBondContact O-CG 3.49Å; E790-L794 PolarHBondContact O-N 3.09Å
791	I	95.7	Very high	94.2	Very high	6 Å²	6	50 Å²	50	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-45.7	177.6	-68.4	-65.6	0	0	0	111.8	M651 A654 I655 Y787 L788 T793 L794 R795	M651-I791 HydrophobicContact CB-CD1 4.01Å; M651-I791 HydrophobicContact CG-CD1 4.13Å; A654-I791 HydrophobicContact CB-CD1 3.8Å; I655-I791 HydrophobicContact CG1-CD1 4.25Å; Y787-I791 HydrophobicContact CD2-CG1 3.98Å; Y787-I791 HydrophobicContact CE2-CD1 4Å; Y787-I791 HydrophobicContact CE2-CG1 3.46Å; Y787-I791 VanDerWaalsContact CE2-CG1 3.46Å; Y787-I791 WeakPolarHBondContact O-CG1 3.3Å; Y787-I791 PolarHBondContact O-N 3.32Å; L788-I791 PolarHBondContact O-N 3.2Å; I791-T793 VanDerWaalsContact C-N 3.31Å; I791-T793 PolarHBondContact O-N 2.69Å; I791-L794 PolarHBondContact O-N 2.96Å; I791-R795 WeakPolarHBondContact O-CG 3.43Å; I791-R795 PolarHBondContact O-N 2.84Å
792	H	94.7	Very high	94.5	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.032	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-40.4	178.1	-67.7	168.8	0	0	0	111.8	L788 R795 L796 F975 E978 Y979	L788-H792 VanDerWaalsContact O-CB 3.32Å; L788-H792 WeakPolarHBondContact O-CB 3.39Å; L788-H792 PolarHBondContact O-N 3.17Å; L788-H792 PolarHBondContact O-ND1 2.83Å; H792-R795 PolarHBondContact O-N 2.94Å; H792-L796 WeakPolarHBondContact O-CG 3.44Å; H792-L796 PolarHBondContact O-N 2.94Å; H792-F975 HydrophobicContact CB-CD1 4.38Å; H792-F975 HydrophobicContact CB-CD2 3.59Å; H792-F975 HydrophobicContact CB-CE1 4.48Å; H792-F975 HydrophobicContact CB-CE2 3.67Å; H792-F975 HydrophobicContact CB-CG 3.96Å; H792-F975 HydrophobicContact CB-CZ 4.13Å; H792-F975 AromaticContact CD2-CD1 3.37Å; H792-F975 WeakPolarHBondContact CD2-CD1 3.47Å; H792-F975 AromaticContact CD2-CE1 3.68Å; H792-F975 AromaticContact CD2-CG 3.65Å; H792-F975 AromaticContact CE1-CD1 3.99Å; H792-F975 AromaticContact CE1-CG 3.82Å; H792-F975 AromaticContact CG-CD1 3.73Å; H792-F975 AromaticContact CG-CD2 3.68Å; H792-F975 AromaticContact CG-CG 3.48Å; H792-F975 VanDerWaalsContact CG-CG 3.48Å; H792-F975 WeakPolarHBondContact ND1-CB 3.48Å; H792-F975 AromaticContact ND1-CG 3.61Å; H792-F975 AromaticContact NE2-CD1 3.55Å; H792-F975 AromaticContact NE2-CG 3.85Å; H792-E978 IonicContact CD2-OE2 2.69Å; H792-E978 IonicContact CE1-OE2 3.63Å; H792-E978 IonicContact NE2-OE2 3.99Å; H792-E978 PolarHBondContact NE2-OE2 3.5Å; H792-Y979 AromaticContact CE1-CD2 3.97Å; H792-Y979 AromaticContact CE1-CE2 3.55Å; H792-Y979 AromaticContact ND1-CE2 3.37Å; H792-Y979 WeakPolarHBondContact ND1-CE2 3.13Å
793	T	95.7	Very high	94.5	Very high	72 Å²	72	47.5 Å²	47.5	44%	0.442	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-45.3	175.1	-59.2	0	0	0	0	111.3	N789 E790 I791 R795 L796 N797	N789-T793 VanDerWaalsContact O-CB 3.27Å; N789-T793 WeakPolarHBondContact O-CB 3.48Å; N789-T793 PolarHBondContact O-N 3.25Å; N789-T793 PolarHBondContact O-OG1 3.3Å; E790-T793 PolarHBondContact O-N 2.96Å; I791-T793 VanDerWaalsContact C-N 3.31Å; I791-T793 PolarHBondContact O-N 2.69Å; T793-R795 VanDerWaalsContact C-N 3.32Å; T793-R795 PolarHBondContact O-N 3.2Å; T793-L796 PolarHBondContact O-N 3.33Å; T793-N797 VanDerWaalsContact O-CG 3.27Å; T793-N797 PolarHBondContact O-N 3.36Å; T793-N797 PolarHBondContact O-ND2 3.34Å
794	L	97.7	Very high	94.5	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-40.1	176.1	-73	172.1	0	0	0	112.2	Y647 K650 M651 A654 E790 I791 N797 F798	Y647-L794 HydrophobicContact CD1-CD2 4.44Å; Y647-L794 WeakPolarHBondContact CD1-O 3.49Å; Y647-L794 HydrophobicContact CE1-CD2 4.37Å; Y647-L794 WeakPolarHBondContact CE1-O 3.26Å; K650-L794 HydrophobicContact CB-CD1 4.13Å; K650-L794 HydrophobicContact CB-CD2 3.96Å; K650-L794 HydrophobicContact CD-CD2 4.01Å; M651-L794 HydrophobicContact CG-CB 4.13Å; M651-L794 HydrophobicContact CG-CD1 4.04Å; A654-L794 HydrophobicContact CB-CD1 4.28Å; E790-L794 HydrophobicContact CG-CD1 4.45Å; E790-L794 WeakPolarHBondContact O-CG 3.49Å; E790-L794 PolarHBondContact O-N 3.09Å; I791-L794 PolarHBondContact O-N 2.96Å; L794-N797 PolarHBondContact O-N 3.22Å; L794-F798 WeakPolarHBondContact O-CB 3.07Å; L794-F798 PolarHBondContact O-N 3.37Å
795	R	95.7	Very high	94.6	Very high	82 Å²	82	52.1 Å²	52.1	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-42	175.4	-71.5	177.2	-175	174.1	2.7	112.5	M651 I791 H792 T793 F798 E799 M971 F975 E978	M651-R795 HydrophobicContact SD-CG 4.19Å; I791-R795 WeakPolarHBondContact O-CG 3.43Å; I791-R795 PolarHBondContact O-N 2.84Å; H792-R795 PolarHBondContact O-N 2.94Å; T793-R795 VanDerWaalsContact C-N 3.32Å; T793-R795 PolarHBondContact O-N 3.2Å; R795-F798 PolarHBondContact O-N 3.47Å; R795-E799 PolarHBondContact O-N 2.91Å; R795-E799 VanDerWaalsContact O-N 3.16Å; R795-M971 HydrophobicContact CB-CE 3.91Å; R795-F975 HydrophobicContact CB-CZ 3.96Å; R795-E978 IonicContact NH1-OE1 3.32Å; R795-E978 PolarHBondContact NH1-OE1 3.45Å; R795-E978 IonicContact NH1-OE2 3.62Å
796	L	94.8	Very high	94.7	Very high	32 Å²	32	52.2 Å²	52.2	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-40.5	176.5	-73.2	167.7	0	0	0	112.3	H792 T793 E799 E800 K968 M971 F975	H792-L796 WeakPolarHBondContact O-CG 3.44Å; H792-L796 PolarHBondContact O-N 2.94Å; T793-L796 PolarHBondContact O-N 3.33Å; L796-E799 PolarHBondContact O-N 3.38Å; L796-E800 PolarHBondContact O-N 3.28Å; L796-K968 HydrophobicContact CD2-CB 4.32Å; L796-K968 HydrophobicContact CD2-CG 4.05Å; L796-M971 HydrophobicContact CD2-CB 4.11Å; L796-M971 HydrophobicContact CD2-SD 4.14Å; L796-F975 HydrophobicContact CD1-CE2 4.11Å; L796-F975 HydrophobicContact CD2-CE2 4.25Å; L796-F975 HydrophobicContact CG-CE2 3.88Å
797	N	96.2	Very high	94.6	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-38.6	178.3	-68.9	-13.6	0	0	0	111.4	Y647 T793 L794 E799 E800 D801	Y647-N797 HydrophobicContact CE1-CB 3.83Å; Y647-N797 WeakPolarHBondContact OH-CB 3.09Å; Y647-N797 PolarHBondContact OH-O 3.42Å; T793-N797 VanDerWaalsContact O-CG 3.27Å; T793-N797 PolarHBondContact O-N 3.36Å; T793-N797 PolarHBondContact O-ND2 3.34Å; L794-N797 PolarHBondContact O-N 3.22Å; N797-E799 PolarHBondContact O-N 3Å; N797-E800 PolarHBondContact O-N 3.45Å; N797-D801 PolarHBondContact O-N 3.36Å
798	F	96.9	Very high	94.6	Very high	48 Å²	48	56.1 Å²	56.1	21%	0.211	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-49.5	172.6	171.6	-107.4	0	0	0	111.5	L643 Y647 L794 R795 E800 D801 K802	L643-F798 HydrophobicContact CD2-CD2 4.4Å; L643-F798 HydrophobicContact CD2-CE2 4.26Å; L643-F798 HydrophobicContact CG-CD2 4.13Å; L643-F798 HydrophobicContact CG-CE2 4.05Å; Y647-F798 HydrophobicContact CD1-CB 3.72Å; Y647-F798 HydrophobicContact CD2-CB 4.02Å; Y647-F798 AromaticContact CD2-CD2 3.61Å; Y647-F798 HydrophobicContact CD2-CD2 3.61Å; Y647-F798 HydrophobicContact CD2-CG 4.31Å; Y647-F798 HydrophobicContact CE1-CB 4.07Å; Y647-F798 HydrophobicContact CE2-CB 4.32Å; Y647-F798 HydrophobicContact CE2-CD2 4.37Å; Y647-F798 HydrophobicContact CG-CB 3.68Å; Y647-F798 AromaticContact CG-CD2 3.75Å; Y647-F798 HydrophobicContact CG-CD2 3.75Å; Y647-F798 HydrophobicContact CG-CG 4.15Å; L794-F798 WeakPolarHBondContact O-CB 3.07Å; L794-F798 PolarHBondContact O-N 3.37Å; R795-F798 PolarHBondContact O-N 3.47Å; F798-E800 VanDerWaalsContact C-N 3.31Å; F798-E800 PolarHBondContact O-N 3.25Å; F798-D801 PolarHBondContact O-N 3.47Å; F798-K802 HydrophobicContact CE1-CD 4.41Å; F798-K802 HydrophobicContact CZ-CD 4.44Å; F798-K802 WeakPolarHBondContact O-CB 3.27Å; F798-K802 PolarHBondContact O-N 2.9Å
799	E	94	Very high	94.7	Very high	31 Å²	31	56 Å²	56	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-36.7	-179.4	-163.5	62	-151	0	0	111.9	R795 L796 N797 W803 L964 I967 M971	R795-E799 PolarHBondContact O-N 2.91Å; R795-E799 VanDerWaalsContact O-N 3.16Å; L796-E799 PolarHBondContact O-N 3.38Å; N797-E799 PolarHBondContact O-N 3Å; E799-W803 VanDerWaalsContact O-CB 3.27Å; E799-W803 WeakPolarHBondContact O-CB 3.2Å; E799-W803 PolarHBondContact O-N 3.42Å; E799-L964 HydrophobicContact CG-CD1 4.28Å; E799-I967 HydrophobicContact CG-CG2 3.81Å; E799-M971 HydrophobicContact CB-SD 4.22Å; E799-M971 HydrophobicContact CG-SD 4.27Å
800	E	94.9	Very high	94.7	Very high	48 Å²	48	53.1 Å²	53.1	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-46.2	174.8	-178.5	168.2	174.4	0	0	113	L796 N797 F798 K802 W803 R804 K968	L796-E800 PolarHBondContact O-N 3.28Å; N797-E800 PolarHBondContact O-N 3.45Å; F798-E800 VanDerWaalsContact C-N 3.31Å; F798-E800 PolarHBondContact O-N 3.25Å; E800-K802 VanDerWaalsContact C-N 3.33Å; E800-W803 PolarHBondContact O-N 3.41Å; E800-R804 VanDerWaalsContact O-CG 3.31Å; E800-R804 WeakPolarHBondContact O-CG 3.39Å; E800-R804 PolarHBondContact O-N 3.21Å; E800-R804 IonicContact OE1-CZ 2.65Å; E800-R804 IonicContact OE1-NE 2.82Å; E800-R804 IonicContact OE1-NH2 3.43Å; E800-R804 PolarHBondContact OE1-NH2 3.31Å; E800-K968 IonicContact OE2-NZ 3.29Å; E800-K968 PolarHBondContact OE2-NZ 3.05Å
801	D	96.2	Very high	94.7	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-67.3	-37	178	-74.2	-16.5	0	0	0	111.7	L643 Y647 N797 F798 R804 T805	L643-D801 HydrophobicContact CD1-CB 3.94Å; L643-D801 HydrophobicContact CD2-CB 4.04Å; Y647-D801 HydrophobicContact CE2-CB 4.35Å; Y647-D801 WeakPolarHBondContact CE2-OD2 3.38Å; Y647-D801 PolarHBondContact OH-OD2 2.91Å; N797-D801 PolarHBondContact O-N 3.36Å; F798-D801 PolarHBondContact O-N 3.47Å; D801-R804 PolarHBondContact O-N 2.91Å; D801-T805 WeakPolarHBondContact O-CB 3.48Å; D801-T805 PolarHBondContact O-N 2.87Å; D801-T805 PolarHBondContact O-OG1 3.3Å
802	K	94.6	Very high	94.7	Very high	62 Å²	62	54.4 Å²	54.4	27%	0.27	25%	0.252	S	S	.	.	H	α-helix	trans	-60.4	-50.4	173.9	-176.3	-169.3	170.9	-156.4	0	109.6	F640 L643 F798 E800 R804 T805 E806	F640-K802 HydrophobicContact CD1-CG 3.87Å; F640-K802 HydrophobicContact CE1-CB 4.39Å; F640-K802 HydrophobicContact CE1-CG 3.52Å; F640-K802 HydrophobicContact CZ-CG 4.5Å; L643-K802 HydrophobicContact CD2-CB 3.98Å; F798-K802 HydrophobicContact CE1-CD 4.41Å; F798-K802 HydrophobicContact CZ-CD 4.44Å; F798-K802 WeakPolarHBondContact O-CB 3.27Å; F798-K802 PolarHBondContact O-N 2.9Å; E800-K802 VanDerWaalsContact C-N 3.33Å; K802-R804 PolarHBondContact O-N 2.86Å; K802-T805 WeakPolarHBondContact O-CB 3.49Å; K802-T805 PolarHBondContact O-N 3.05Å; K802-T805 VanDerWaalsContact O-N 3.12Å; K802-E806 WeakPolarHBondContact CE-OE1 3.26Å; K802-E806 IonicContact NZ-OE1 3.98Å; K802-E806 PolarHBondContact O-N 3.26Å
803	W	93.3	Very high	94.7	Very high	40 Å²	40	59.2 Å²	59.2	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-42.4	177.3	-175.6	91.6	0	0	0	112.6	E799 E800 T805 E806 H807 Y960 L964	E799-W803 VanDerWaalsContact O-CB 3.27Å; E799-W803 WeakPolarHBondContact O-CB 3.2Å; E799-W803 PolarHBondContact O-N 3.42Å; E800-W803 PolarHBondContact O-N 3.41Å; W803-T805 VanDerWaalsContact C-N 3.27Å; W803-T805 PolarHBondContact O-N 3.3Å; W803-E806 PolarHBondContact O-N 2.84Å; W803-H807 HydrophobicContact CE3-CB 4.42Å; W803-H807 HydrophobicContact CH2-CB 4.33Å; W803-H807 AromaticContact CH2-CD2 3.43Å; W803-H807 VanDerWaalsContact CH2-CD2 3.43Å; W803-H807 WeakPolarHBondContact CH2-CD2 3.5Å; W803-H807 AromaticContact CZ2-CD2 3.93Å; W803-H807 HydrophobicContact CZ3-CB 4.22Å; W803-H807 AromaticContact CZ3-CD2 3.99Å; W803-H807 WeakPolarHBondContact O-CB 3.46Å; W803-H807 PolarHBondContact O-N 2.84Å; W803-Y960 PolarHBondContact NE1-O 3.22Å; W803-L964 HydrophobicContact CB-CD1 3.99Å; W803-L964 HydrophobicContact CB-CD2 4.18Å; W803-L964 HydrophobicContact CD2-CB 4.2Å; W803-L964 HydrophobicContact CD2-CD2 3.76Å; W803-L964 HydrophobicContact CD2-CG 4.48Å; W803-L964 HydrophobicContact CE3-CD2 3.97Å; W803-L964 HydrophobicContact CG-CB 3.95Å; W803-L964 HydrophobicContact CG-CD1 4.12Å; W803-L964 HydrophobicContact CG-CD2 3.85Å; W803-L964 HydrophobicContact CG-CG 4.18Å
804	R	93.5	Very high	94.7	Very high	133 Å²	133	57.4 Å²	57.4	50%	0.502	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-37.7	175.5	-74	174.5	-173.2	-74.1	-1.9	112.3	E800 D801 K802 R808	E800-R804 VanDerWaalsContact O-CG 3.31Å; E800-R804 WeakPolarHBondContact O-CG 3.39Å; E800-R804 PolarHBondContact O-N 3.21Å; E800-R804 IonicContact OE1-CZ 2.65Å; E800-R804 IonicContact OE1-NE 2.82Å; E800-R804 IonicContact OE1-NH2 3.43Å; E800-R804 PolarHBondContact OE1-NH2 3.31Å; D801-R804 PolarHBondContact O-N 2.91Å; K802-R804 PolarHBondContact O-N 2.86Å; R804-R808 PolarHBondContact O-N 3.26Å
805	T	93.1	Very high	94.6	Very high	21 Å²	21	61.9 Å²	61.9	13%	0.129	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-52.6	176.4	-54	0	0	0	0	109.6	E639 F640 D801 K802 W803 H807 R808 F809	E639-T805 HydrophobicContact CB-CG2 4.3Å; F640-T805 HydrophobicContact CE1-CG2 3.95Å; F640-T805 HydrophobicContact CZ-CG2 4.06Å; D801-T805 WeakPolarHBondContact O-CB 3.48Å; D801-T805 PolarHBondContact O-N 2.87Å; D801-T805 PolarHBondContact O-OG1 3.3Å; K802-T805 WeakPolarHBondContact O-CB 3.49Å; K802-T805 PolarHBondContact O-N 3.05Å; K802-T805 VanDerWaalsContact O-N 3.12Å; W803-T805 VanDerWaalsContact C-N 3.27Å; W803-T805 PolarHBondContact O-N 3.3Å; T805-H807 PolarHBondContact O-N 3.09Å; T805-R808 WeakPolarHBondContact O-CB 3.47Å; T805-R808 PolarHBondContact O-N 3.12Å; T805-R808 VanDerWaalsContact O-N 3.12Å; T805-F809 HydrophobicContact CG2-CD2 3.75Å; T805-F809 HydrophobicContact CG2-CE2 3.56Å; T805-F809 VanDerWaalsContact O-CD2 3.23Å; T805-F809 WeakPolarHBondContact O-CD2 3.46Å; T805-F809 PolarHBondContact O-N 3.07Å
806	E	92.8	Very high	94.5	Very high	48 Å²	48	60 Å²	60	22%	0.224	28%	0.276	C	S	.	.	H	α-helix	trans	-53.4	-48.6	175.5	-69.6	-179.6	175.1	0	0	112.4	F640 K802 W803 R808 F809 L810	F640-E806 HydrophobicContact CE1-CG 3.92Å; F640-E806 HydrophobicContact CE2-CG 4.12Å; F640-E806 HydrophobicContact CZ-CB 4.34Å; F640-E806 HydrophobicContact CZ-CG 3.26Å; K802-E806 WeakPolarHBondContact CE-OE1 3.26Å; K802-E806 IonicContact NZ-OE1 3.98Å; K802-E806 PolarHBondContact O-N 3.26Å; W803-E806 PolarHBondContact O-N 2.84Å; E806-R808 VanDerWaalsContact C-N 3.29Å; E806-R808 PolarHBondContact O-N 2.97Å; E806-F809 PolarHBondContact O-N 2.98Å; E806-F809 VanDerWaalsContact O-N 3.12Å; E806-L810 WeakPolarHBondContact O-CB 3.27Å; E806-L810 PolarHBondContact O-N 2.82Å
807	H	91.8	Very high	94.5	Very high	67 Å²	67	60 Å²	60	31%	0.31	28%	0.276	S	S	.	.	H	α-helix	trans	-56.4	-41.7	178.5	177.9	-73.3	0	0	0	112.6	W803 T805 S811 M957	W803-H807 HydrophobicContact CE3-CB 4.42Å; W803-H807 HydrophobicContact CH2-CB 4.33Å; W803-H807 AromaticContact CH2-CD2 3.43Å; W803-H807 VanDerWaalsContact CH2-CD2 3.43Å; W803-H807 WeakPolarHBondContact CH2-CD2 3.5Å; W803-H807 AromaticContact CZ2-CD2 3.93Å; W803-H807 HydrophobicContact CZ3-CB 4.22Å; W803-H807 AromaticContact CZ3-CD2 3.99Å; W803-H807 WeakPolarHBondContact O-CB 3.46Å; W803-H807 PolarHBondContact O-N 2.84Å; T805-H807 PolarHBondContact O-N 3.09Å; H807-S811 PolarHBondContact O-N 3.11Å; H807-S811 VanDerWaalsContact O-N 3.14Å; H807-S811 PolarHBondContact O-OG 3.4Å; H807-M957 WeakPolarHBondContact CD2-CE 3.35Å; H807-M957 VanDerWaalsContact CE1-CE 3.41Å; H807-M957 WeakPolarHBondContact CE1-CE 3.31Å; H807-M957 WeakPolarHBondContact NE2-CE 3.48Å
808	R	93.3	Very high	94.5	Very high	156 Å²	156	61 Å²	61	59%	0.589	28%	0.275	S	S	*	.	H	α-helix	trans	-65.3	-46.4	176.1	-172.6	-169.7	-52.8	-156.5	2.3	111.1	R804 T805 E806 L810 S811 M812	R804-R808 PolarHBondContact O-N 3.26Å; T805-R808 WeakPolarHBondContact O-CB 3.47Å; T805-R808 PolarHBondContact O-N 3.12Å; T805-R808 VanDerWaalsContact O-N 3.12Å; E806-R808 VanDerWaalsContact C-N 3.29Å; E806-R808 PolarHBondContact O-N 2.97Å; R808-L810 VanDerWaalsContact C-N 3.33Å; R808-L810 PolarHBondContact O-N 3.47Å; R808-S811 WeakPolarHBondContact O-CB 3.44Å; R808-S811 PolarHBondContact O-N 3.38Å; R808-M812 HydrophobicContact CG-SD 4.33Å; R808-M812 WeakPolarHBondContact O-CG 3.08Å; R808-M812 PolarHBondContact O-N 3.45Å
809	F	94.8	Very high	94.5	Very high	11 Å²	11	62 Å²	62	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-38.4	178.8	-82.6	-75.1	0	0	0	112.4	L632 K635 M636 T805 E806 S811 M812 K813	L632-F809 HydrophobicContact CD1-CD1 3.62Å; L632-F809 HydrophobicContact CD1-CE1 3.67Å; L632-F809 HydrophobicContact CD2-CD1 4.5Å; L632-F809 HydrophobicContact CG-CD1 3.82Å; L632-F809 HydrophobicContact CG-CE1 4.17Å; K635-F809 HydrophobicContact CB-CE1 4.33Å; K635-F809 HydrophobicContact CB-CZ 4.48Å; M636-F809 HydrophobicContact CB-CD1 3.63Å; M636-F809 HydrophobicContact CB-CD2 3.93Å; M636-F809 HydrophobicContact CB-CE1 3.56Å; M636-F809 HydrophobicContact CB-CE2 3.89Å; M636-F809 HydrophobicContact CB-CG 3.84Å; M636-F809 HydrophobicContact CB-CZ 3.72Å; M636-F809 HydrophobicContact CG-CB 4.28Å; M636-F809 HydrophobicContact CG-CD1 4.05Å; M636-F809 HydrophobicContact CG-CD2 3.61Å; M636-F809 HydrophobicContact CG-CE1 4.31Å; M636-F809 HydrophobicContact CG-CE2 3.94Å; M636-F809 HydrophobicContact CG-CG 3.7Å; M636-F809 HydrophobicContact CG-CZ 4.29Å; M636-F809 HydrophobicContact SD-CB 4.03Å; M636-F809 HydrophobicContact SD-CD2 4.44Å; M636-F809 HydrophobicContact SD-CG 4.09Å; T805-F809 HydrophobicContact CG2-CD2 3.75Å; T805-F809 HydrophobicContact CG2-CE2 3.56Å; T805-F809 VanDerWaalsContact O-CD2 3.23Å; T805-F809 WeakPolarHBondContact O-CD2 3.46Å; T805-F809 PolarHBondContact O-N 3.07Å; E806-F809 PolarHBondContact O-N 2.98Å; E806-F809 VanDerWaalsContact O-N 3.12Å; F809-S811 VanDerWaalsContact C-N 3.34Å; F809-S811 PolarHBondContact O-N 3.34Å; F809-M812 PolarHBondContact O-N 2.98Å; F809-K813 WeakPolarHBondContact O-CB 3.4Å; F809-K813 PolarHBondContact O-N 3.27Å
810	L	93.5	Very high	94.5	Very high	22 Å²	22	64 Å²	64	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-42.4	174.5	-171.6	58.4	0	0	0	111.9	E806 R808 K813 H814 E956 M957 Y960	E806-L810 WeakPolarHBondContact O-CB 3.27Å; E806-L810 PolarHBondContact O-N 2.82Å; R808-L810 VanDerWaalsContact C-N 3.33Å; R808-L810 PolarHBondContact O-N 3.47Å; L810-K813 PolarHBondContact O-N 2.82Å; L810-H814 PolarHBondContact O-N 2.99Å; L810-E956 WeakPolarHBondContact CD1-OE2 3.37Å; L810-E956 HydrophobicContact CD2-CB 4.23Å; L810-M957 HydrophobicContact CB-SD 4.32Å; L810-M957 HydrophobicContact CD2-CG 4.49Å; L810-M957 HydrophobicContact CD2-SD 3.49Å; L810-M957 WeakPolarHBondContact CD2-SD 3.46Å; L810-M957 HydrophobicContact CG-SD 3.88Å; L810-Y960 HydrophobicContact CD2-CD2 3.39Å; L810-Y960 HydrophobicContact CD2-CE2 3.65Å; L810-Y960 HydrophobicContact CD2-CG 4.08Å
811	S	94.7	Very high	94.6	Very high	39 Å²	39	63.4 Å²	63.4	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175	-55.3	0	0	0	0	112.1	H807 R808 F809 H814 Q815	H807-S811 PolarHBondContact O-N 3.11Å; H807-S811 VanDerWaalsContact O-N 3.14Å; H807-S811 PolarHBondContact O-OG 3.4Å; R808-S811 WeakPolarHBondContact O-CB 3.44Å; R808-S811 PolarHBondContact O-N 3.38Å; F809-S811 VanDerWaalsContact C-N 3.34Å; F809-S811 PolarHBondContact O-N 3.34Å; S811-H814 PolarHBondContact O-N 2.95Å; S811-Q815 PolarHBondContact O-N 2.97Å
812	M	95.8	Very high	94.6	Very high	79 Å²	79	63.4 Å²	63.4	39%	0.389	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-41	176.3	-70.2	177.9	72.1	0	0	112.1	L632 R808 F809 Q815 L816	L632-M812 HydrophobicContact CD1-CB 4.13Å; L632-M812 HydrophobicContact CD1-CE 3.55Å; L632-M812 HydrophobicContact CD1-SD 4.08Å; L632-M812 HydrophobicContact CD2-CB 4.04Å; R808-M812 HydrophobicContact CG-SD 4.33Å; R808-M812 WeakPolarHBondContact O-CG 3.08Å; R808-M812 PolarHBondContact O-N 3.45Å; F809-M812 PolarHBondContact O-N 2.98Å; M812-Q815 PolarHBondContact O-N 3.39Å; M812-L816 WeakPolarHBondContact O-CG 3.43Å; M812-L816 PolarHBondContact O-N 2.99Å
813	K	94.5	Very high	94.6	Very high	108 Å²	108	63.9 Å²	63.9	47%	0.47	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-45.7	176.1	-176.4	-179.8	179.6	177.3	0	111	L632 F809 L810 Q815 L816 D817	L632-K813 HydrophobicContact CD2-CB 4.17Å; F809-K813 WeakPolarHBondContact O-CB 3.4Å; F809-K813 PolarHBondContact O-N 3.27Å; L810-K813 PolarHBondContact O-N 2.82Å; K813-Q815 VanDerWaalsContact C-N 3.32Å; K813-Q815 PolarHBondContact O-N 2.82Å; K813-L816 PolarHBondContact O-N 3.22Å; K813-D817 PolarHBondContact O-N 2.82Å
814	H	95.7	Very high	94.7	Very high	34 Å²	34	63.3 Å²	63.3	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-43.4	174.3	170.4	62.7	0	0	0	112.1	L810 S811 L816 D817 R818 D950 H953	L810-H814 PolarHBondContact O-N 2.99Å; S811-H814 PolarHBondContact O-N 2.95Å; H814-L816 PolarHBondContact O-N 2.91Å; H814-D817 PolarHBondContact O-N 3.48Å; H814-R818 WeakPolarHBondContact O-CB 3.35Å; H814-R818 PolarHBondContact O-N 3.22Å; H814-D950 IonicContact CE1-OD1 2.85Å; H814-D950 PolarHBondContact CE1-OD1 3.12Å; H814-D950 IonicContact NE2-OD1 2.86Å; H814-D950 PolarHBondContact NE2-OD1 3.35Å; H814-H953 HydrophobicContact CB-CB 4.24Å; H814-H953 WeakPolarHBondContact CB-ND1 3.44Å; H814-H953 AromaticContact CD2-CD2 3.37Å; H814-H953 PolarHBondContact CD2-CD2 3.4Å; H814-H953 AromaticContact CD2-CG 3.68Å; H814-H953 AromaticContact CD2-NE2 3.78Å; H814-H953 AromaticContact CG-CD2 3.58Å; H814-H953 AromaticContact CG-CG 3.38Å; H814-H953 AromaticContact CG-ND1 3.74Å; H814-H953 WeakPolarHBondContact ND1-CB 3.35Å; H814-H953 AromaticContact ND1-CG 3.66Å; H814-H953 AromaticContact NE2-CD2 3.77Å
815	Q	95.7	Very high	94.9	Very high	119 Å²	119	57.1 Å²	57.1	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-62.8	-39.9	177.2	-171.3	175	12.7	0	0	112.7	S811 M812 K813 R818 N819	S811-Q815 PolarHBondContact O-N 2.97Å; M812-Q815 PolarHBondContact O-N 3.39Å; K813-Q815 VanDerWaalsContact C-N 3.32Å; K813-Q815 PolarHBondContact O-N 2.82Å; Q815-R818 PolarHBondContact O-N 2.86Å; Q815-N819 VanDerWaalsContact O-CG 3.25Å; Q815-N819 PolarHBondContact O-N 3.05Å; Q815-N819 PolarHBondContact O-ND2 2.89Å
816	L	94.9	Very high	95	Very high	41 Å²	41	60.7 Å²	60.7	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-44.3	174.8	-70.4	-179.9	0	0	0	111.9	Q628 L632 M812 K813 H814 R818 N819 R820	Q628-L816 HydrophobicContact CB-CD1 4.22Å; L632-L816 HydrophobicContact CB-CD1 4.41Å; L632-L816 HydrophobicContact CD2-CD1 3.91Å; M812-L816 WeakPolarHBondContact O-CG 3.43Å; M812-L816 PolarHBondContact O-N 2.99Å; K813-L816 PolarHBondContact O-N 3.22Å; H814-L816 PolarHBondContact O-N 2.91Å; L816-R818 VanDerWaalsContact C-N 3.32Å; L816-R818 PolarHBondContact O-N 3.49Å; L816-N819 PolarHBondContact O-N 2.94Å; L816-R820 WeakPolarHBondContact O-CB 3.38Å; L816-R820 PolarHBondContact O-N 2.87Å
817	D	95.3	Very high	95	Very high	33 Å²	33	59 Å²	59	18%	0.176	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-37	178.3	-158.8	36	0	0	0	111.3	K813 H814 R820 Q821 L949 R952	K813-D817 PolarHBondContact O-N 2.82Å; H814-D817 PolarHBondContact O-N 3.48Å; D817-R820 WeakPolarHBondContact O-CB 3.45Å; D817-R820 PolarHBondContact O-N 3.37Å; D817-R820 IonicContact OD1-NH1 3.08Å; D817-Q821 WeakPolarHBondContact O-CG 2.96Å; D817-Q821 PolarHBondContact O-N 3.42Å; D817-L949 HydrophobicContact CB-CD1 4.23Å; D817-L949 HydrophobicContact CB-CD2 4.44Å; D817-L949 WeakPolarHBondContact OD2-CD1 3.41Å; D817-R952 IonicContact OD2-NH2 3.46Å
818	R	96.2	Very high	95.2	Very high	85 Å²	85	59.4 Å²	59.4	32%	0.321	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-48	173.9	-172.3	-176.8	-179.9	103.9	2.7	111.8	H814 Q815 L816 R820 Q821 L822 L946 L949 D950	H814-R818 WeakPolarHBondContact O-CB 3.35Å; H814-R818 PolarHBondContact O-N 3.22Å; Q815-R818 PolarHBondContact O-N 2.86Å; L816-R818 VanDerWaalsContact C-N 3.32Å; L816-R818 PolarHBondContact O-N 3.49Å; R818-R820 VanDerWaalsContact C-N 3.34Å; R818-Q821 PolarHBondContact O-N 3.07Å; R818-L822 HydrophobicContact CG-CD1 4.5Å; R818-L822 WeakPolarHBondContact O-CG 3.2Å; R818-L822 PolarHBondContact O-N 3.05Å; R818-L946 HydrophobicContact CG-CD2 4.01Å; R818-L949 VanDerWaalsContact CA-CD2 3.49Å; R818-L949 HydrophobicContact CB-CD2 3.88Å; R818-L949 HydrophobicContact CG-CD2 4.43Å; R818-D950 IonicContact CZ-OD2 2.71Å; R818-D950 IonicContact NH1-OD1 3.6Å; R818-D950 PolarHBondContact NH1-OD1 3.37Å; R818-D950 IonicContact NH1-OD2 3.96Å; R818-D950 PolarHBondContact NH1-OD2 2.83Å
819	N	95.1	Very high	95.2	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177.1	-70.3	-13.7	0	0	0	111.4	Q815 L816 Q821 L822 D823	Q815-N819 VanDerWaalsContact O-CG 3.25Å; Q815-N819 PolarHBondContact O-N 3.05Å; Q815-N819 PolarHBondContact O-ND2 2.89Å; L816-N819 PolarHBondContact O-N 2.94Å; N819-Q821 VanDerWaalsContact C-N 3.31Å; N819-Q821 PolarHBondContact O-N 2.91Å; N819-L822 PolarHBondContact O-N 3.36Å; N819-D823 PolarHBondContact O-N 2.79Å
820	R	95.1	Very high	95.2	Very high	72 Å²	72	60.6 Å²	60.6	27%	0.272	29%	0.286	S	S	.	.	H	α-helix	trans	-55.9	-45.7	174.4	178.8	-166.6	175.9	-171.9	-0.3	111.5	L621 N622 A625 L816 D817 R818 D823 L824	L621-R820 HydrophobicContact CD2-CG 3.77Å; N622-R820 PolarHBondContact OD1-NE 2.92Å; N622-R820 VanDerWaalsContact OD1-NE 3.14Å; N622-R820 PolarHBondContact OD1-NH2 3.21Å; A625-R820 HydrophobicContact CB-CB 4.31Å; A625-R820 HydrophobicContact CB-CG 3.84Å; L816-R820 WeakPolarHBondContact O-CB 3.38Å; L816-R820 PolarHBondContact O-N 2.87Å; D817-R820 WeakPolarHBondContact O-CB 3.45Å; D817-R820 PolarHBondContact O-N 3.37Å; D817-R820 IonicContact OD1-NH1 3.08Å; R818-R820 VanDerWaalsContact C-N 3.34Å; R820-D823 PolarHBondContact O-N 2.76Å; R820-L824 HydrophobicContact CG-CD1 4.33Å; R820-L824 WeakPolarHBondContact O-CG 3.39Å; R820-L824 PolarHBondContact O-N 3.38Å
821	Q	95.9	Very high	95	Very high	35 Å²	35	59.9 Å²	59.9	16%	0.164	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-45.4	177.6	-67.9	-64.8	0.6	0	0	111.6	D817 R818 N819 D823 L824 F825 L946 L949	D817-Q821 WeakPolarHBondContact O-CG 2.96Å; D817-Q821 PolarHBondContact O-N 3.42Å; R818-Q821 PolarHBondContact O-N 3.07Å; N819-Q821 VanDerWaalsContact C-N 3.31Å; N819-Q821 PolarHBondContact O-N 2.91Å; Q821-D823 VanDerWaalsContact C-N 3.32Å; Q821-D823 PolarHBondContact O-N 2.97Å; Q821-L824 WeakPolarHBondContact O-CB 3.35Å; Q821-L824 PolarHBondContact O-N 2.89Å; Q821-F825 VanDerWaalsContact O-CD2 3.23Å; Q821-F825 WeakPolarHBondContact O-CD2 3.33Å; Q821-F825 PolarHBondContact O-N 3.02Å; Q821-L946 HydrophobicContact CB-CD2 4.15Å; Q821-L949 HydrophobicContact CG-CD2 4.28Å
822	L	96.8	Very high	95	Very high	57 Å²	57	59.9 Å²	59.9	30%	0.298	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-42.4	177	-71.8	170	0	0	0	112.3	R818 N819 F825 M826 L946	R818-L822 HydrophobicContact CG-CD1 4.5Å; R818-L822 WeakPolarHBondContact O-CG 3.2Å; R818-L822 PolarHBondContact O-N 3.05Å; N819-L822 PolarHBondContact O-N 3.36Å; L822-F825 PolarHBondContact O-N 2.75Å; L822-M826 WeakPolarHBondContact O-CB 3.43Å; L822-M826 PolarHBondContact O-N 3.34Å; L822-L946 HydrophobicContact CD2-CD1 3.84Å; L822-L946 HydrophobicContact CD2-CD2 4.41Å; L822-L946 HydrophobicContact CG-CD2 4.38Å
823	D	95.5	Very high	94.9	Very high	72 Å²	72	59 Å²	59	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-37.9	177.8	-70.2	-25.1	0	0	0	111.9	L621 N819 R820 Q821 M826 I827	L621-D823 HydrophobicContact CD1-CB 3.46Å; L621-D823 VanDerWaalsContact CD1-CB 3.46Å; L621-D823 HydrophobicContact CG-CB 4.26Å; N819-D823 PolarHBondContact O-N 2.79Å; R820-D823 PolarHBondContact O-N 2.76Å; Q821-D823 VanDerWaalsContact C-N 3.32Å; Q821-D823 PolarHBondContact O-N 2.97Å; D823-M826 WeakPolarHBondContact O-CB 3.44Å; D823-M826 PolarHBondContact O-N 2.85Å; D823-I827 WeakPolarHBondContact O-CG1 3.48Å; D823-I827 PolarHBondContact O-N 3Å
824	L	95.6	Very high	94.8	Very high	27 Å²	27	54.6 Å²	54.6	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-43.7	173.6	-75.8	170.2	0	0	0	111.5	T618 L621 R820 Q821 M826 I827 K828	T618-L824 HydrophobicContact CG2-CD2 3.86Å; L621-L824 HydrophobicContact CD1-CD2 4.05Å; L621-L824 HydrophobicContact CD1-CG 4.13Å; L621-L824 HydrophobicContact CD2-CD2 3.98Å; L621-L824 HydrophobicContact CD2-CG 3.89Å; R820-L824 HydrophobicContact CG-CD1 4.33Å; R820-L824 WeakPolarHBondContact O-CG 3.39Å; R820-L824 PolarHBondContact O-N 3.38Å; Q821-L824 WeakPolarHBondContact O-CB 3.35Å; Q821-L824 PolarHBondContact O-N 2.89Å; L824-M826 VanDerWaalsContact C-N 3.34Å; L824-I827 PolarHBondContact O-N 2.72Å; L824-K828 WeakPolarHBondContact O-CG 3.24Å; L824-K828 PolarHBondContact O-N 2.74Å
825	F	96.2	Very high	94.6	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-32.8	175.7	-81	-74.3	0	0	0	112.5	Q821 L822 K828 R829 L938 Q941 E942 R945	Q821-F825 VanDerWaalsContact O-CD2 3.23Å; Q821-F825 WeakPolarHBondContact O-CD2 3.33Å; Q821-F825 PolarHBondContact O-N 3.02Å; L822-F825 PolarHBondContact O-N 2.75Å; F825-K828 HydrophobicContact CD1-CD 4.14Å; F825-K828 HydrophobicContact CE1-CD 4.31Å; F825-K828 PolarHBondContact O-N 3.26Å; F825-R829 WeakPolarHBondContact O-CG 3.38Å; F825-R829 PolarHBondContact O-N 3.1Å; F825-L938 HydrophobicContact CD1-CD1 3.89Å; F825-L938 HydrophobicContact CD1-CG 4.42Å; F825-L938 HydrophobicContact CE1-CD1 3.96Å; F825-Q941 HydrophobicContact CE1-CB 4.19Å; F825-Q941 HydrophobicContact CE1-CG 4.04Å; F825-Q941 HydrophobicContact CZ-CB 4.5Å; F825-Q941 HydrophobicContact CZ-CG 4.02Å; F825-E942 HydrophobicContact CB-CB 4.48Å; F825-E942 HydrophobicContact CB-CG 4.05Å; F825-E942 HydrophobicContact CD1-CB 3.66Å; F825-E942 HydrophobicContact CD1-CG 4.13Å; F825-E942 HydrophobicContact CD2-CB 4.03Å; F825-E942 HydrophobicContact CD2-CG 3.79Å; F825-E942 HydrophobicContact CE1-CB 3.78Å; F825-E942 HydrophobicContact CE2-CB 4.16Å; F825-E942 HydrophobicContact CE2-CG 4.29Å; F825-E942 HydrophobicContact CG-CB 3.8Å; F825-E942 HydrophobicContact CG-CG 3.72Å; F825-E942 VanDerWaalsContact CZ-CA 3.45Å; F825-E942 HydrophobicContact CZ-CB 4.05Å; F825-R945 HydrophobicContact CE2-CB 3.99Å; F825-R945 HydrophobicContact CE2-CG 4.29Å; F825-R945 HydrophobicContact CZ-CB 4.14Å; F825-R945 HydrophobicContact CZ-CG 4.03Å
826	M	95.4	Very high	94.4	Very high	96 Å²	96	52.2 Å²	52.2	47%	0.473	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-47.8	171.4	-178.3	-178.2	62.1	0	0	111.5	L822 D823 L824 R829 E830	L822-M826 WeakPolarHBondContact O-CB 3.43Å; L822-M826 PolarHBondContact O-N 3.34Å; D823-M826 WeakPolarHBondContact O-CB 3.44Å; D823-M826 PolarHBondContact O-N 2.85Å; L824-M826 VanDerWaalsContact C-N 3.34Å; M826-R829 PolarHBondContact O-N 2.82Å; M826-E830 PolarHBondContact O-N 3.21Å; M826-E830 VanDerWaalsContact O-N 3.09Å
827	I	93.6	Very high	94.3	Very high	13 Å²	13	56 Å²	56	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-48.8	174.4	-66.6	166.8	0	0	0	109.9	Q617 L621 D823 L824 R829 E830 Q831	Q617-I827 HydrophobicContact CB-CD1 3.92Å; Q617-I827 HydrophobicContact CB-CG1 4.47Å; Q617-I827 HydrophobicContact CB-CG2 4.31Å; L621-I827 HydrophobicContact CB-CD1 4.37Å; L621-I827 HydrophobicContact CD1-CD1 3.49Å; L621-I827 VanDerWaalsContact CD1-CD1 3.49Å; D823-I827 WeakPolarHBondContact O-CG1 3.48Å; D823-I827 PolarHBondContact O-N 3Å; L824-I827 PolarHBondContact O-N 2.72Å; I827-R829 VanDerWaalsContact C-N 3.29Å; I827-R829 PolarHBondContact O-N 3.38Å; I827-E830 PolarHBondContact O-N 2.84Å; I827-E830 VanDerWaalsContact O-N 3.16Å; I827-Q831 HydrophobicContact CG2-CG 4.04Å; I827-Q831 VanDerWaalsContact O-CG 3.25Å; I827-Q831 WeakPolarHBondContact O-CG 3.47Å; I827-Q831 PolarHBondContact O-N 3.04Å
828	K	94.8	Very high	94.1	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-39.7	179.2	-73.4	-179.8	176	-179	0	113	L824 F825 Q831 L832 L938	L824-K828 WeakPolarHBondContact O-CG 3.24Å; L824-K828 PolarHBondContact O-N 2.74Å; F825-K828 HydrophobicContact CD1-CD 4.14Å; F825-K828 HydrophobicContact CE1-CD 4.31Å; F825-K828 PolarHBondContact O-N 3.26Å; K828-Q831 PolarHBondContact O-N 3.15Å; K828-L832 WeakPolarHBondContact O-CB 3.44Å; K828-L832 PolarHBondContact O-N 2.75Å; K828-L938 HydrophobicContact CB-CD1 4.04Å; K828-L938 HydrophobicContact CB-CD2 4.03Å; K828-L938 HydrophobicContact CD-CD1 3.91Å
829	R	94.6	Very high	93.8	Very high	88 Å²	88	55.3 Å²	55.3	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-44.8	176.4	-73.6	-173.5	-60.1	-104	0.8	112.2	F825 M826 I827 Q831 L832 T833 L938 E942	F825-R829 WeakPolarHBondContact O-CG 3.38Å; F825-R829 PolarHBondContact O-N 3.1Å; M826-R829 PolarHBondContact O-N 2.82Å; I827-R829 VanDerWaalsContact C-N 3.29Å; I827-R829 PolarHBondContact O-N 3.38Å; R829-Q831 VanDerWaalsContact C-N 3.33Å; R829-L832 PolarHBondContact O-N 3.16Å; R829-T833 WeakPolarHBondContact O-CB 3.4Å; R829-T833 PolarHBondContact O-N 2.95Å; R829-T833 PolarHBondContact O-OG1 3.45Å; R829-L938 HydrophobicContact CB-CD2 4.47Å; R829-L938 HydrophobicContact CG-CD2 3.75Å; R829-E942 IonicContact CZ-OE1 3.63Å; R829-E942 IonicContact CZ-OE2 2.63Å; R829-E942 IonicContact NH1-OE1 3.34Å; R829-E942 PolarHBondContact NH1-OE1 2.89Å; R829-E942 IonicContact NH1-OE2 3.51Å; R829-E942 PolarHBondContact NH1-OE2 2.82Å
830	E	93.5	Very high	93.7	Very high	105 Å²	105	54.8 Å²	54.8	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-45.7	175.9	-173.4	-177	179.5	0	0	110.6	M826 I827 T833 G834	M826-E830 PolarHBondContact O-N 3.21Å; M826-E830 VanDerWaalsContact O-N 3.09Å; I827-E830 PolarHBondContact O-N 2.84Å; I827-E830 VanDerWaalsContact O-N 3.16Å; E830-T833 WeakPolarHBondContact O-CB 3.37Å; E830-T833 PolarHBondContact O-N 2.88Å; E830-G834 PolarHBondContact O-N 2.64Å
831	Q	90.7	Very high	93.5	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-40.4	179.8	-62.5	-58.5	-27.3	0	0	112.7	L610 E614 I827 K828 R829 T833 G834 R835	L610-Q831 HydrophobicContact CD2-CB 4.35Å; E614-Q831 HydrophobicContact CB-CG 3.89Å; E614-Q831 HydrophobicContact CG-CG 4.03Å; I827-Q831 HydrophobicContact CG2-CG 4.04Å; I827-Q831 VanDerWaalsContact O-CG 3.25Å; I827-Q831 WeakPolarHBondContact O-CG 3.47Å; I827-Q831 PolarHBondContact O-N 3.04Å; K828-Q831 PolarHBondContact O-N 3.15Å; R829-Q831 VanDerWaalsContact C-N 3.33Å; Q831-T833 VanDerWaalsContact C-N 3.29Å; Q831-T833 PolarHBondContact O-N 3.17Å; Q831-G834 PolarHBondContact O-N 2.6Å; Q831-R835 WeakPolarHBondContact O-CB 3.44Å; Q831-R835 VanDerWaalsContact O-CG 3.29Å; Q831-R835 WeakPolarHBondContact O-CG 3.4Å; Q831-R835 PolarHBondContact O-N 2.82Å
832	L	93.9	Very high	93.1	Very high	39 Å²	39	56.5 Å²	56.5	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-42.3	173.7	179	62.7	0	0	0	111.1	K828 R829 R835 S836 K934 R935 L938	K828-L832 WeakPolarHBondContact O-CB 3.44Å; K828-L832 PolarHBondContact O-N 2.75Å; R829-L832 PolarHBondContact O-N 3.16Å; L832-R835 PolarHBondContact O-N 3.17Å; L832-S836 WeakPolarHBondContact O-CB 3.4Å; L832-S836 PolarHBondContact O-N 2.82Å; L832-S836 PolarHBondContact O-OG 3.48Å; L832-K934 HydrophobicContact CD1-CB 3.87Å; L832-K934 HydrophobicContact CD1-CD 4.12Å; L832-K934 HydrophobicContact CD2-CB 4.16Å; L832-R935 HydrophobicContact CD2-CB 4.31Å; L832-L938 HydrophobicContact CD2-CD2 4.07Å
833	T	93	Very high	92.8	Very high	59 Å²	59	55.1 Å²	55.1	36%	0.362	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-51.4	175.5	-53.8	0	0	0	0	110.2	R829 E830 Q831 R835 S836 E837	R829-T833 WeakPolarHBondContact O-CB 3.4Å; R829-T833 PolarHBondContact O-N 2.95Å; R829-T833 PolarHBondContact O-OG1 3.45Å; E830-T833 WeakPolarHBondContact O-CB 3.37Å; E830-T833 PolarHBondContact O-N 2.88Å; Q831-T833 VanDerWaalsContact C-N 3.29Å; Q831-T833 PolarHBondContact O-N 3.17Å; T833-R835 VanDerWaalsContact C-N 3.33Å; T833-R835 PolarHBondContact O-N 3.01Å; T833-S836 PolarHBondContact O-N 3.44Å; T833-S836 VanDerWaalsContact O-N 3.13Å; T833-S836 PolarHBondContact O-OG 3.34Å; T833-E837 WeakPolarHBondContact O-CG 3.16Å; T833-E837 PolarHBondContact O-N 2.89Å
834	G	92.7	Very high	92.6	Very high	17 Å²	17	56.9 Å²	56.9	18%	0.175	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-37.5	177.5	0	0	0	0	0	113.8	E830 Q831 E837 L838	E830-G834 PolarHBondContact O-N 2.64Å; Q831-G834 PolarHBondContact O-N 2.6Å; G834-E837 PolarHBondContact O-N 3.31Å; G834-L838 WeakPolarHBondContact O-CG 3.11Å; G834-L838 PolarHBondContact O-N 2.9Å; G834-L838 VanDerWaalsContact O-N 3.15Å
835	R	91.2	Very high	92.2	Very high	71 Å²	71	59.7 Å²	59.7	27%	0.268	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-44.2	173.7	-72.1	173.2	-170	-84	3.4	111.6	L610 E614 Q831 L832 T833 E837 L838 E839	L610-R835 HydrophobicContact CD1-CG 4.45Å; L610-R835 HydrophobicContact CD2-CG 3.59Å; E614-R835 IonicContact OE2-CZ 3.68Å; E614-R835 IonicContact OE2-NE 3.7Å; E614-R835 IonicContact OE2-NH2 2.73Å; E614-R835 PolarHBondContact OE2-NH2 2.81Å; Q831-R835 WeakPolarHBondContact O-CB 3.44Å; Q831-R835 VanDerWaalsContact O-CG 3.29Å; Q831-R835 WeakPolarHBondContact O-CG 3.4Å; Q831-R835 PolarHBondContact O-N 2.82Å; L832-R835 PolarHBondContact O-N 3.17Å; T833-R835 VanDerWaalsContact C-N 3.33Å; T833-R835 PolarHBondContact O-N 3.01Å; R835-E837 VanDerWaalsContact C-N 3.32Å; R835-E837 PolarHBondContact O-N 3.39Å; R835-L838 PolarHBondContact O-N 2.85Å; R835-E839 WeakPolarHBondContact O-CG 3.35Å; R835-E839 PolarHBondContact O-N 2.76Å
836	S	92.1	Very high	91.8	Very high	31 Å²	31	61.7 Å²	61.7	22%	0.217	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-37.8	178.4	71.7	0	0	0	0	112.6	L832 T833 E839 L840	L832-S836 WeakPolarHBondContact O-CB 3.4Å; L832-S836 PolarHBondContact O-N 2.82Å; L832-S836 PolarHBondContact O-OG 3.48Å; T833-S836 PolarHBondContact O-N 3.44Å; T833-S836 VanDerWaalsContact O-N 3.13Å; T833-S836 PolarHBondContact O-OG 3.34Å; S836-E839 PolarHBondContact O-N 3.05Å; S836-L840 WeakPolarHBondContact O-CB 3.42Å; S836-L840 PolarHBondContact O-N 2.86Å
837	E	92.8	Very high	91.6	Very high	120 Å²	120	57.4 Å²	57.4	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-65.8	-38.2	175.2	-70.9	177.4	178.4	0	0	112.2	T833 G834 R835 T841	T833-E837 WeakPolarHBondContact O-CG 3.16Å; T833-E837 PolarHBondContact O-N 2.89Å; G834-E837 PolarHBondContact O-N 3.31Å; R835-E837 VanDerWaalsContact C-N 3.32Å; R835-E837 PolarHBondContact O-N 3.39Å; E837-T841 WeakPolarHBondContact O-CB 3.14Å; E837-T841 PolarHBondContact O-N 3.15Å; E837-T841 PolarHBondContact O-OG1 3.47Å
838	L	90.5	Very high	91.4	Very high	49 Å²	49	61 Å²	61	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-68.1	-45.6	174.8	-71.7	176.5	0	0	0	112	A606 F607 L610 G834 R835 L840 T841 E842	A606-L838 HydrophobicContact CB-CD1 4.1Å; A606-L838 HydrophobicContact CB-CD2 4.01Å; F607-L838 HydrophobicContact CD1-CD1 3.96Å; F607-L838 HydrophobicContact CE1-CB 3.77Å; F607-L838 HydrophobicContact CE1-CD1 4.04Å; F607-L838 HydrophobicContact CG-CD1 4.47Å; F607-L838 HydrophobicContact CZ-CB 3.79Å; L610-L838 HydrophobicContact CD1-CD1 3.9Å; G834-L838 WeakPolarHBondContact O-CG 3.11Å; G834-L838 PolarHBondContact O-N 2.9Å; G834-L838 VanDerWaalsContact O-N 3.15Å; R835-L838 PolarHBondContact O-N 2.85Å; L838-L840 VanDerWaalsContact C-N 3.33Å; L838-L840 PolarHBondContact O-N 2.77Å; L838-T841 PolarHBondContact O-N 3.36Å; L838-E842 PolarHBondContact O-N 3.27Å
839	E	91	Very high	91	Very high	55 Å²	55	58.9 Å²	58.9	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-57.6	-45.8	175.2	-72.9	175.8	-176.3	0	0	110.7	F607 R835 S836 T841 E842 L843 L927 K934	F607-E839 HydrophobicContact CE1-CG 4.42Å; F607-E839 HydrophobicContact CZ-CG 4.09Å; R835-E839 WeakPolarHBondContact O-CG 3.35Å; R835-E839 PolarHBondContact O-N 2.76Å; S836-E839 PolarHBondContact O-N 3.05Å; E839-T841 VanDerWaalsContact C-N 3.34Å; E839-T841 PolarHBondContact O-N 2.9Å; E839-E842 PolarHBondContact O-N 2.71Å; E839-L843 WeakPolarHBondContact O-CB 3.38Å; E839-L843 PolarHBondContact O-N 2.84Å; E839-L927 HydrophobicContact CB-CD1 4.07Å; E839-K934 IonicContact OE1-NZ 3.89Å; E839-K934 PolarHBondContact OE1-NZ 3.04Å; E839-K934 VanDerWaalsContact OE1-NZ 3.14Å; E839-K934 IonicContact OE2-NZ 3.59Å; E839-K934 PolarHBondContact OE2-NZ 2.75Å
840	L	93.1	Very high	90.6	Very high	59 Å²	59	57.4 Å²	57.4	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-39.5	176.5	-179.6	61.7	0	0	0	112.2	S836 L838 K844 L924 L927	S836-L840 WeakPolarHBondContact O-CB 3.42Å; S836-L840 PolarHBondContact O-N 2.86Å; L838-L840 VanDerWaalsContact C-N 3.33Å; L838-L840 PolarHBondContact O-N 2.77Å; L840-K844 HydrophobicContact CD1-CD 4.47Å; L840-K844 HydrophobicContact CD1-CG 4.47Å; L840-K844 HydrophobicContact CG-CD 4.26Å; L840-K844 WeakPolarHBondContact O-CB 3.4Å; L840-K844 VanDerWaalsContact O-CG 3.27Å; L840-K844 WeakPolarHBondContact O-CG 3.46Å; L840-K844 PolarHBondContact O-N 2.9Å; L840-L924 HydrophobicContact CD1-CD2 3.96Å; L840-L927 HydrophobicContact CB-CD2 4.16Å; L840-L927 HydrophobicContact CD1-CD2 4.13Å
841	T	90.3	Very high	90.6	Very high	66 Å²	66	56.6 Å²	56.6	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-42.9	177.9	-61.3	0	0	0	0	111.4	E837 L838 E839 K844 Q845	E837-T841 WeakPolarHBondContact O-CB 3.14Å; E837-T841 PolarHBondContact O-N 3.15Å; E837-T841 PolarHBondContact O-OG1 3.47Å; L838-T841 PolarHBondContact O-N 3.36Å; E839-T841 VanDerWaalsContact C-N 3.34Å; E839-T841 PolarHBondContact O-N 2.9Å; T841-K844 PolarHBondContact O-N 2.76Å; T841-Q845 VanDerWaalsContact O-CG 3.32Å; T841-Q845 WeakPolarHBondContact O-CG 3.44Å; T841-Q845 PolarHBondContact O-N 2.99Å
842	E	88.1	Confident	90.5	Very high	78 Å²	78	59.6 Å²	59.6	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.6	-178.3	171.6	-164	0	0	111.5	L838 E839 Q845 T846	L838-E842 PolarHBondContact O-N 3.27Å; E839-E842 PolarHBondContact O-N 2.71Å; E842-Q845 PolarHBondContact O-N 3.35Å; E842-T846 WeakPolarHBondContact O-CB 3.46Å; E842-T846 PolarHBondContact O-N 2.8Å; E842-T846 PolarHBondContact O-OG1 2.97Å
843	L	90.4	Very high	90.2	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-46.3	175.8	-177.4	58.5	0	0	0	111.1	E839 Q845 T846 I847 R923 L924 L927	E839-L843 WeakPolarHBondContact O-CB 3.38Å; E839-L843 PolarHBondContact O-N 2.84Å; L843-Q845 VanDerWaalsContact C-N 3.31Å; L843-Q845 PolarHBondContact O-N 3.43Å; L843-T846 WeakPolarHBondContact O-CB 3.43Å; L843-T846 PolarHBondContact O-N 3.37Å; L843-T846 VanDerWaalsContact O-N 3.12Å; L843-I847 HydrophobicContact CD1-CD1 4.16Å; L843-I847 HydrophobicContact CD1-CG1 4.26Å; L843-I847 HydrophobicContact CG-CD1 3.8Å; L843-I847 HydrophobicContact CG-CG1 4.39Å; L843-I847 WeakPolarHBondContact O-CB 3.35Å; L843-I847 WeakPolarHBondContact O-CD1 3.41Å; L843-I847 WeakPolarHBondContact O-CG1 3.4Å; L843-I847 PolarHBondContact O-N 3.29Å; L843-R923 HydrophobicContact CD1-CB 4.38Å; L843-R923 HydrophobicContact CD2-CB 4.44Å; L843-L924 HydrophobicContact CD2-CD2 3.8Å; L843-L924 HydrophobicContact CD2-CG 4.35Å; L843-L924 HydrophobicContact CG-CD2 4.44Å; L843-L927 HydrophobicContact CB-CD2 4.38Å; L843-L927 HydrophobicContact CD2-CB 4.24Å; L843-L927 HydrophobicContact CD2-CD2 3.74Å
844	K	91.6	Very high	90.1	Very high	109 Å²	109	60.7 Å²	60.7	47%	0.474	31%	0.305	S	S	.	.	H	α-helix	trans	-58.3	-40.7	174.9	-77.6	174.1	179	174.5	0	112.6	L840 T841 N848	L840-K844 HydrophobicContact CD1-CD 4.47Å; L840-K844 HydrophobicContact CD1-CG 4.47Å; L840-K844 HydrophobicContact CG-CD 4.26Å; L840-K844 WeakPolarHBondContact O-CB 3.4Å; L840-K844 VanDerWaalsContact O-CG 3.27Å; L840-K844 WeakPolarHBondContact O-CG 3.46Å; L840-K844 PolarHBondContact O-N 2.9Å; T841-K844 PolarHBondContact O-N 2.76Å; K844-N848 WeakPolarHBondContact O-CB 3.32Å; K844-N848 VanDerWaalsContact O-CG 3.24Å; K844-N848 PolarHBondContact O-N 3.26Å; K844-N848 PolarHBondContact O-ND2 2.91Å
845	Q	87.6	Confident	90	Very high	86 Å²	86	65.9 Å²	65.9	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-42.1	175.3	-73.5	179	15	0	0	111.7	T841 E842 L843 N848 M849	T841-Q845 VanDerWaalsContact O-CG 3.32Å; T841-Q845 WeakPolarHBondContact O-CG 3.44Å; T841-Q845 PolarHBondContact O-N 2.99Å; E842-Q845 PolarHBondContact O-N 3.35Å; L843-Q845 VanDerWaalsContact C-N 3.31Å; L843-Q845 PolarHBondContact O-N 3.43Å; Q845-N848 PolarHBondContact O-N 3.08Å; Q845-M849 WeakPolarHBondContact O-CG 3.35Å; Q845-M849 PolarHBondContact O-N 3.19Å
846	T	86.6	Confident	89.8	Confident	44 Å²	44	64.9 Å²	64.9	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-47.7	177.7	-56.6	0	0	0	0	111.3	E842 L843 N848 M849 E850	E842-T846 WeakPolarHBondContact O-CB 3.46Å; E842-T846 PolarHBondContact O-N 2.8Å; E842-T846 PolarHBondContact O-OG1 2.97Å; L843-T846 WeakPolarHBondContact O-CB 3.43Å; L843-T846 PolarHBondContact O-N 3.37Å; L843-T846 VanDerWaalsContact O-N 3.12Å; T846-N848 VanDerWaalsContact C-N 3.34Å; T846-N848 PolarHBondContact O-N 2.9Å; T846-M849 WeakPolarHBondContact O-CB 3.46Å; T846-M849 PolarHBondContact O-N 3.46Å; T846-M849 VanDerWaalsContact O-N 3.12Å; T846-E850 WeakPolarHBondContact O-CG 3.43Å; T846-E850 PolarHBondContact O-N 3.41Å
847	I	91.3	Very high	89.6	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-55.5	-47.8	174.3	-68.7	165.1	0	0	0	111	L843 M849 E850 R851 I920 L924	L843-I847 HydrophobicContact CD1-CD1 4.16Å; L843-I847 HydrophobicContact CD1-CG1 4.26Å; L843-I847 HydrophobicContact CG-CD1 3.8Å; L843-I847 HydrophobicContact CG-CG1 4.39Å; L843-I847 WeakPolarHBondContact O-CB 3.35Å; L843-I847 WeakPolarHBondContact O-CD1 3.41Å; L843-I847 WeakPolarHBondContact O-CG1 3.4Å; L843-I847 PolarHBondContact O-N 3.29Å; I847-M849 VanDerWaalsContact C-N 3.3Å; I847-M849 PolarHBondContact O-N 2.97Å; I847-E850 PolarHBondContact O-N 3.2Å; I847-R851 HydrophobicContact CG2-CG 4.5Å; I847-R851 WeakPolarHBondContact O-CB 3.49Å; I847-R851 WeakPolarHBondContact O-CG 3.44Å; I847-R851 PolarHBondContact O-N 3.12Å; I847-I920 HydrophobicContact CD1-CG2 3.64Å; I847-I920 HydrophobicContact CG1-CG1 4.09Å; I847-I920 HydrophobicContact CG1-CG2 4Å; I847-I920 HydrophobicContact CG2-CD1 3.65Å; I847-I920 HydrophobicContact CG2-CG1 4Å; I847-I920 HydrophobicContact CG2-CG2 4Å; I847-L924 HydrophobicContact CD1-CD1 4.38Å; I847-L924 HydrophobicContact CD1-CD2 4.23Å; I847-L924 HydrophobicContact CD1-CG 4.23Å
848	N	90	Very high	89.6	Confident	89 Å²	89	62.6 Å²	62.6	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-36.2	179.2	-75	-20.9	0	0	0	112.4	K844 Q845 T846 S852	K844-N848 WeakPolarHBondContact O-CB 3.32Å; K844-N848 VanDerWaalsContact O-CG 3.24Å; K844-N848 PolarHBondContact O-N 3.26Å; K844-N848 PolarHBondContact O-ND2 2.91Å; Q845-N848 PolarHBondContact O-N 3.08Å; T846-N848 VanDerWaalsContact C-N 3.34Å; T846-N848 PolarHBondContact O-N 2.9Å; N848-S852 WeakPolarHBondContact O-CB 3.24Å; N848-S852 PolarHBondContact O-N 3.45Å; N848-S852 VanDerWaalsContact O-N 3.08Å; N848-S852 PolarHBondContact O-OG 3.41Å
849	M	85.2	Confident	89.5	Confident	31 Å²	31	63.3 Å²	63.3	15%	0.153	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-45.1	175	-70.4	-172.5	-57.5	0	0	111.8	F592 K599 Q845 T846 I847 S852 K853	F592-M849 HydrophobicContact CZ-SD 4.27Å; K599-M849 HydrophobicContact CD-SD 4.29Å; Q845-M849 WeakPolarHBondContact O-CG 3.35Å; Q845-M849 PolarHBondContact O-N 3.19Å; T846-M849 WeakPolarHBondContact O-CB 3.46Å; T846-M849 PolarHBondContact O-N 3.46Å; T846-M849 VanDerWaalsContact O-N 3.12Å; I847-M849 VanDerWaalsContact C-N 3.3Å; I847-M849 PolarHBondContact O-N 2.97Å; M849-S852 PolarHBondContact O-N 2.89Å; M849-K853 WeakPolarHBondContact O-CB 3.48Å; M849-K853 WeakPolarHBondContact O-CG 3.44Å; M849-K853 PolarHBondContact O-N 3.07Å
850	E	87.9	Confident	89.3	Confident	56 Å²	56	65.5 Å²	65.5	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-45.1	177.5	-72.1	174.3	-175.7	0	0	111.8	T846 I847 S852 K853 L854 L916 R923	T846-E850 WeakPolarHBondContact O-CG 3.43Å; T846-E850 PolarHBondContact O-N 3.41Å; I847-E850 PolarHBondContact O-N 3.2Å; E850-S852 VanDerWaalsContact C-N 3.34Å; E850-S852 PolarHBondContact O-N 3.35Å; E850-K853 PolarHBondContact O-N 3.49Å; E850-L854 WeakPolarHBondContact O-CB 3.47Å; E850-L854 PolarHBondContact O-N 3.31Å; E850-L916 HydrophobicContact CB-CD1 4.22Å; E850-L916 HydrophobicContact CB-CD2 4.42Å; E850-R923 IonicContact OE1-CZ 3.47Å; E850-R923 IonicContact OE1-NH1 2.77Å; E850-R923 PolarHBondContact OE1-NH1 3.43Å; E850-R923 IonicContact OE1-NH2 3.9Å; E850-R923 IonicContact OE2-CZ 3.66Å; E850-R923 IonicContact OE2-NH1 2.74Å; E850-R923 PolarHBondContact OE2-NH1 2.94Å; E850-R923 VanDerWaalsContact OE2-NH1 3.12Å; E850-R923 IonicContact OE2-NH2 3.81Å; E850-R923 PolarHBondContact OE2-NH2 3.3Å
851	R	91.9	Very high	89.1	Confident	88 Å²	88	64.9 Å²	64.9	33%	0.332	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-46.3	173.4	-76.6	177.6	169.4	162.1	-0.6	111.7	I847 L854 Q855 L916 E917 I920	I847-R851 HydrophobicContact CG2-CG 4.5Å; I847-R851 WeakPolarHBondContact O-CB 3.49Å; I847-R851 WeakPolarHBondContact O-CG 3.44Å; I847-R851 PolarHBondContact O-N 3.12Å; R851-L854 PolarHBondContact O-N 3.06Å; R851-Q855 WeakPolarHBondContact O-CB 3.32Å; R851-Q855 VanDerWaalsContact O-CG 3.26Å; R851-Q855 WeakPolarHBondContact O-CG 3.34Å; R851-Q855 PolarHBondContact O-N 3.48Å; R851-L916 HydrophobicContact CG-CD2 4.25Å; R851-E917 IonicContact CZ-OE1 3.52Å; R851-E917 VanDerWaalsContact CZ-OE1 3.25Å; R851-E917 IonicContact CZ-OE2 3.3Å; R851-E917 IonicContact NE-OE1 3.78Å; R851-E917 PolarHBondContact NE-OE1 3.36Å; R851-E917 IonicContact NE-OE2 2.64Å; R851-E917 VanDerWaalsContact NH2-CD 3.25Å; R851-E917 IonicContact NH2-OE1 2.66Å; R851-E917 PolarHBondContact NH2-OE1 3.19Å; R851-E917 IonicContact NH2-OE2 2.72Å; R851-E917 PolarHBondContact NH2-OE2 3.32Å; R851-I920 HydrophobicContact CG-CD1 4.26Å
852	S	88.6	Confident	89.1	Confident	71 Å²	71	66.6 Å²	66.6	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-40.6	178.8	-58	0	0	0	0	112.2	N848 M849 E850 Q855 A856	N848-S852 WeakPolarHBondContact O-CB 3.24Å; N848-S852 PolarHBondContact O-N 3.45Å; N848-S852 VanDerWaalsContact O-N 3.08Å; N848-S852 PolarHBondContact O-OG 3.41Å; M849-S852 PolarHBondContact O-N 2.89Å; E850-S852 VanDerWaalsContact C-N 3.34Å; E850-S852 PolarHBondContact O-N 3.35Å; S852-Q855 PolarHBondContact O-N 2.89Å; S852-A856 WeakPolarHBondContact O-CB 3.3Å; S852-A856 PolarHBondContact O-N 3.38Å
853	K	87.6	Confident	89.1	Confident	91 Å²	91	70 Å²	70	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-47.8	175.5	-77.2	179.3	-178.1	179	0	111.3	F592 M849 E850 Q855 A856 I857	F592-K853 VanDerWaalsContact CE1-NZ 3.26Å; F592-K853 HydrophobicContact CZ-CD 4.37Å; M849-K853 WeakPolarHBondContact O-CB 3.48Å; M849-K853 WeakPolarHBondContact O-CG 3.44Å; M849-K853 PolarHBondContact O-N 3.07Å; E850-K853 PolarHBondContact O-N 3.49Å; K853-Q855 VanDerWaalsContact C-N 3.34Å; K853-Q855 PolarHBondContact O-N 3.49Å; K853-A856 WeakPolarHBondContact O-CB 3.33Å; K853-A856 PolarHBondContact O-N 2.95Å; K853-I857 WeakPolarHBondContact O-CG1 3.21Å; K853-I857 PolarHBondContact O-N 3.47Å
854	L	92.1	Very high	89	Confident	29 Å²	29	73.3 Å²	73.3	15%	0.152	37%	0.367	C	S	.	.	H	α-helix	trans	-62.6	-43	179.6	-172.8	62.4	0	0	0	111.1	E850 R851 A856 I857 H858 Q912 T913 L916	E850-L854 WeakPolarHBondContact O-CB 3.47Å; E850-L854 PolarHBondContact O-N 3.31Å; R851-L854 PolarHBondContact O-N 3.06Å; L854-A856 VanDerWaalsContact C-N 3.31Å; L854-A856 PolarHBondContact O-N 3.02Å; L854-I857 PolarHBondContact O-N 3.44Å; L854-H858 WeakPolarHBondContact CD1-NE2 3.33Å; L854-H858 WeakPolarHBondContact O-CB 3.33Å; L854-H858 VanDerWaalsContact O-CG 3.28Å; L854-H858 PolarHBondContact O-N 3.28Å; L854-Q912 HydrophobicContact CD1-CB 4.31Å; L854-Q912 HydrophobicContact CD2-CB 4.47Å; L854-T913 HydrophobicContact CD2-CG2 4.06Å; L854-L916 HydrophobicContact CB-CD2 4.22Å; L854-L916 HydrophobicContact CD2-CB 4.13Å; L854-L916 HydrophobicContact CD2-CD2 3.68Å
855	Q	91.1	Very high	88.7	Confident	126 Å²	126	69.4 Å²	69.4	59%	0.589	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-38.6	174	-74.1	174.9	-5.4	0	0	112.9	R851 S852 K853 S859	R851-Q855 WeakPolarHBondContact O-CB 3.32Å; R851-Q855 VanDerWaalsContact O-CG 3.26Å; R851-Q855 WeakPolarHBondContact O-CG 3.34Å; R851-Q855 PolarHBondContact O-N 3.48Å; S852-Q855 PolarHBondContact O-N 2.89Å; K853-Q855 VanDerWaalsContact C-N 3.34Å; K853-Q855 PolarHBondContact O-N 3.49Å; Q855-S859 WeakPolarHBondContact O-CB 3.34Å; Q855-S859 PolarHBondContact O-N 3.16Å; Q855-S859 PolarHBondContact O-OG 3.2Å
856	A	86.6	Confident	88.7	Confident	51 Å²	51	68 Å²	68	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-43.9	175.5	0	0	0	0	0	111.7	S852 K853 L854 S859 I860	S852-A856 WeakPolarHBondContact O-CB 3.3Å; S852-A856 PolarHBondContact O-N 3.38Å; K853-A856 WeakPolarHBondContact O-CB 3.33Å; K853-A856 PolarHBondContact O-N 2.95Å; L854-A856 VanDerWaalsContact C-N 3.31Å; L854-A856 PolarHBondContact O-N 3.02Å; A856-S859 WeakPolarHBondContact O-CB 3.47Å; A856-S859 PolarHBondContact O-N 2.99Å; A856-I860 WeakPolarHBondContact O-CG1 3.13Å; A856-I860 PolarHBondContact O-N 2.97Å
857	I	87.3	Confident	88.7	Confident	85 Å²	85	73.5 Å²	73.5	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-50.2	174.6	-67.9	166.5	0	0	0	110.1	K853 L854 S859 I860 E861	K853-I857 WeakPolarHBondContact O-CG1 3.21Å; K853-I857 PolarHBondContact O-N 3.47Å; L854-I857 PolarHBondContact O-N 3.44Å; I857-S859 VanDerWaalsContact C-N 3.26Å; I857-S859 PolarHBondContact O-N 3.17Å; I857-I860 PolarHBondContact O-N 2.91Å; I857-E861 HydrophobicContact CG2-CG 4.23Å; I857-E861 WeakPolarHBondContact O-CG 3.17Å; I857-E861 PolarHBondContact O-N 2.94Å
858	H	92.9	Very high	88.3	Confident	18 Å²	18	76.3 Å²	76.3	8%	0.083	39%	0.388	C	S	.	.	H	α-helix	trans	-57.6	-39.5	178.1	-72.1	-179.1	0	0	0	112.5	L854 E861 R862 Q909 Q912	L854-H858 WeakPolarHBondContact CD1-NE2 3.33Å; L854-H858 WeakPolarHBondContact O-CB 3.33Å; L854-H858 VanDerWaalsContact O-CG 3.28Å; L854-H858 PolarHBondContact O-N 3.28Å; H858-E861 IonicContact CD2-OE2 3.75Å; H858-R862 VanDerWaalsContact O-CB 3.26Å; H858-R862 WeakPolarHBondContact O-CB 3.47Å; H858-R862 PolarHBondContact O-N 3.06Å; H858-Q909 VanDerWaalsContact CA-NE2 3.33Å; H858-Q909 HydrophobicContact CB-CG 4.26Å; H858-Q909 PolarHBondContact CE1-O 2.9Å; H858-Q909 VanDerWaalsContact CE1-O 3.23Å; H858-Q909 PolarHBondContact O-NE2 2.93Å; H858-Q912 PolarHBondContact CD2-OE1 3.46Å; H858-Q912 PolarHBondContact NE2-OE1 3.46Å
859	S	88.7	Confident	88	Confident	64 Å²	64	72.6 Å²	72.6	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-39.6	176.4	-63.4	0	0	0	0	112.4	Q855 A856 I857 K863	Q855-S859 WeakPolarHBondContact O-CB 3.34Å; Q855-S859 PolarHBondContact O-N 3.16Å; Q855-S859 PolarHBondContact O-OG 3.2Å; A856-S859 WeakPolarHBondContact O-CB 3.47Å; A856-S859 PolarHBondContact O-N 2.99Å; I857-S859 VanDerWaalsContact C-N 3.26Å; I857-S859 PolarHBondContact O-N 3.17Å; S859-K863 VanDerWaalsContact O-CG 3.28Å; S859-K863 WeakPolarHBondContact O-CG 3.42Å; S859-K863 PolarHBondContact O-N 3.11Å
860	I	87.3	Confident	87.9	Confident	100 Å²	100	77.7 Å²	77.7	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-71.4	-48	177.8	-67.4	166.3	0	0	0	110.5	A856 I857 R862 K863 N864	A856-I860 WeakPolarHBondContact O-CG1 3.13Å; A856-I860 PolarHBondContact O-N 2.97Å; I857-I860 PolarHBondContact O-N 2.91Å; I860-R862 VanDerWaalsContact C-N 3.32Å; I860-R862 PolarHBondContact O-N 3.15Å; I860-K863 PolarHBondContact O-N 3.45Å; I860-N864 WeakPolarHBondContact O-CB 3.41Å; I860-N864 PolarHBondContact O-N 3.08Å
861	E	88.8	Confident	87.6	Confident	47 Å²	47	77.1 Å²	77.1	22%	0.22	39%	0.391	C	S	.	.	H	α-helix	trans	-56.2	-45.8	176.9	-74.6	-174.3	140.9	0	0	111.2	I857 H858 K863 N864 C865 L905 K908	I857-E861 HydrophobicContact CG2-CG 4.23Å; I857-E861 WeakPolarHBondContact O-CG 3.17Å; I857-E861 PolarHBondContact O-N 2.94Å; H858-E861 IonicContact CD2-OE2 3.75Å; E861-K863 PolarHBondContact O-N 2.69Å; E861-N864 PolarHBondContact O-N 3.18Å; E861-C865 VanDerWaalsContact O-CB 3.26Å; E861-C865 WeakPolarHBondContact O-CB 3.2Å; E861-C865 PolarHBondContact O-N 2.99Å; E861-L905 HydrophobicContact CB-CD1 4.39Å; E861-K908 IonicContact OE1-NZ 3.97Å; E861-K908 PolarHBondContact OE1-NZ 3.01Å
862	R	89.3	Confident	87.1	Confident	101 Å²	101	76.6 Å²	76.6	38%	0.381	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-44.2	177.7	-172	177.2	-64.7	-162.1	-2.8	112.3	H858 I860 I866 L905 E906 Q909	H858-R862 VanDerWaalsContact O-CB 3.26Å; H858-R862 WeakPolarHBondContact O-CB 3.47Å; H858-R862 PolarHBondContact O-N 3.06Å; I860-R862 VanDerWaalsContact C-N 3.32Å; I860-R862 PolarHBondContact O-N 3.15Å; R862-I866 HydrophobicContact CG-CD1 3.94Å; R862-I866 WeakPolarHBondContact O-CB 3.35Å; R862-I866 VanDerWaalsContact O-CG1 3.27Å; R862-I866 WeakPolarHBondContact O-CG1 3.41Å; R862-I866 PolarHBondContact O-N 3.2Å; R862-L905 HydrophobicContact CB-CD2 4.34Å; R862-E906 IonicContact NH2-OE1 3.32Å; R862-Q909 VanDerWaalsContact NH2-OE1 3.11Å
863	K	88.8	Confident	86.6	Confident	149 Å²	149	75.5 Å²	75.5	65%	0.648	39%	0.385	S	S	*	.	H	α-helix	trans	-62	-44.2	175.8	-75.1	173	-176	176.1	0	111.6	S859 I860 E861 K867	S859-K863 VanDerWaalsContact O-CG 3.28Å; S859-K863 WeakPolarHBondContact O-CG 3.42Å; S859-K863 PolarHBondContact O-N 3.11Å; I860-K863 PolarHBondContact O-N 3.45Å; E861-K863 PolarHBondContact O-N 2.69Å; K863-K867 VanDerWaalsContact O-CB 3.27Å; K863-K867 WeakPolarHBondContact O-CB 3.03Å; K863-K867 PolarHBondContact O-N 3.11Å
864	N	87	Confident	86.2	Confident	98 Å²	98	78 Å²	78	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-43	180	-73.6	-14.9	0	0	0	112	I860 E861 K867 S868	I860-N864 WeakPolarHBondContact O-CB 3.41Å; I860-N864 PolarHBondContact O-N 3.08Å; E861-N864 PolarHBondContact O-N 3.18Å; N864-K867 PolarHBondContact O-N 3.4Å; N864-S868 WeakPolarHBondContact O-CB 3.44Å; N864-S868 PolarHBondContact O-N 2.85Å
865	C	86.7	Confident	85.5	Confident	27 Å²	27	83.7 Å²	83.7	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-59.3	-54	174.5	177.3	0	0	0	0	111	E861 K867 S868 M869 L905	E861-C865 VanDerWaalsContact O-CB 3.26Å; E861-C865 WeakPolarHBondContact O-CB 3.2Å; E861-C865 PolarHBondContact O-N 2.99Å; C865-K867 VanDerWaalsContact C-N 3.28Å; C865-K867 PolarHBondContact O-N 3.12Å; C865-S868 WeakPolarHBondContact O-CB 3.43Å; C865-S868 PolarHBondContact O-N 3.26Å; C865-S868 VanDerWaalsContact O-N 3.12Å; C865-M869 WeakPolarHBondContact O-CB 3.32Å; C865-M869 WeakPolarHBondContact O-CG 3.43Å; C865-M869 PolarHBondContact O-N 2.93Å; C865-L905 HydrophobicContact CB-CD2 3.65Å
866	I	86.8	Confident	84.8	Confident	58 Å²	58	79.6 Å²	79.6	30%	0.297	40%	0.4	S	S	.	.	H	α-helix	trans	-57.8	-41.2	177.7	-67.7	168.1	0	0	0	111.5	R862 M869 K870	R862-I866 HydrophobicContact CG-CD1 3.94Å; R862-I866 WeakPolarHBondContact O-CB 3.35Å; R862-I866 VanDerWaalsContact O-CG1 3.27Å; R862-I866 WeakPolarHBondContact O-CG1 3.41Å; R862-I866 PolarHBondContact O-N 3.2Å; I866-M869 HydrophobicContact CB-CE 4.47Å; I866-M869 HydrophobicContact CG1-CE 4.04Å; I866-K870 HydrophobicContact CG2-CD 3.98Å; I866-K870 HydrophobicContact CG2-CG 4.39Å; I866-K870 WeakPolarHBondContact O-CB 3.39Å; I866-K870 VanDerWaalsContact O-CG 3.26Å; I866-K870 WeakPolarHBondContact O-CG 3.35Å; I866-K870 PolarHBondContact O-N 2.82Å
867	K	87.1	Confident	84.2	Confident	158 Å²	158	79.7 Å²	79.7	69%	0.687	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-44.2	177.8	-174.3	179.4	178	-175.5	0	111.6	K863 N864 C865 S871	K863-K867 VanDerWaalsContact O-CB 3.27Å; K863-K867 WeakPolarHBondContact O-CB 3.03Å; K863-K867 PolarHBondContact O-N 3.11Å; N864-K867 PolarHBondContact O-N 3.4Å; C865-K867 VanDerWaalsContact C-N 3.28Å; C865-K867 PolarHBondContact O-N 3.12Å; K867-S871 WeakPolarHBondContact O-CB 3.33Å; K867-S871 PolarHBondContact O-N 3.38Å
868	S	83.1	Confident	83.5	Confident	65 Å²	65	79.9 Å²	79.9	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-52	176.3	-172.6	0	0	0	0	110.8	N864 C865 K870 S871 V872	N864-S868 WeakPolarHBondContact O-CB 3.44Å; N864-S868 PolarHBondContact O-N 2.85Å; C865-S868 WeakPolarHBondContact O-CB 3.43Å; C865-S868 PolarHBondContact O-N 3.26Å; C865-S868 VanDerWaalsContact O-N 3.12Å; S868-K870 PolarHBondContact O-N 3.14Å; S868-S871 WeakPolarHBondContact O-CA 3.4Å; S868-S871 WeakPolarHBondContact O-CB 3.38Å; S868-S871 PolarHBondContact O-N 2.96Å; S868-S871 PolarHBondContact O-OG 3.36Å; S868-V872 WeakPolarHBondContact O-CG2 3.18Å; S868-V872 PolarHBondContact O-N 3.28Å
869	M	83.4	Confident	82.6	Confident	12 Å²	12	82.4 Å²	82.4	6%	0.059	41%	0.411	C	S	.	.	H	α-helix	trans	-56.1	-48.6	177.6	-71.9	-170.5	-57	0	0	112.1	C865 I866 S871 V872 H873 M898 E901 L902	C865-M869 WeakPolarHBondContact O-CB 3.32Å; C865-M869 WeakPolarHBondContact O-CG 3.43Å; C865-M869 PolarHBondContact O-N 2.93Å; I866-M869 HydrophobicContact CB-CE 4.47Å; I866-M869 HydrophobicContact CG1-CE 4.04Å; M869-S871 VanDerWaalsContact C-N 3.27Å; M869-S871 PolarHBondContact O-N 3.38Å; M869-V872 PolarHBondContact O-N 2.81Å; M869-H873 VanDerWaalsContact O-CB 3.28Å; M869-H873 WeakPolarHBondContact O-CB 3.33Å; M869-H873 PolarHBondContact O-N 2.89Å; M869-M898 HydrophobicContact CB-CG 4.02Å; M869-M898 HydrophobicContact CB-SD 4.4Å; M869-M898 HydrophobicContact CE-CG 4.06Å; M869-M898 HydrophobicContact CG-CG 4.27Å; M869-M898 HydrophobicContact SD-CB 4.43Å; M869-M898 HydrophobicContact SD-CG 3.54Å; M869-M898 VanDerWaalsContact SD-CG 3.54Å; M869-M898 VanDerWaalsContact SD-O 3.42Å; M869-E901 WeakPolarHBondContact CG-OE2 3.26Å; M869-E901 HydrophobicContact SD-CB 3.71Å; M869-L902 HydrophobicContact CE-CB 4.49Å; M869-L902 HydrophobicContact CE-CD1 4.42Å
870	K	83.6	Confident	81.7	Confident	138 Å²	138	80.7 Å²	80.7	60%	0.6	40%	0.397	S	S	*	.	H	α-helix	trans	-59.4	-37.3	175.4	-76.3	178.4	179.1	-178.2	0	112.3	I866 S868 K874	I866-K870 HydrophobicContact CG2-CD 3.98Å; I866-K870 HydrophobicContact CG2-CG 4.39Å; I866-K870 WeakPolarHBondContact O-CB 3.39Å; I866-K870 VanDerWaalsContact O-CG 3.26Å; I866-K870 WeakPolarHBondContact O-CG 3.35Å; I866-K870 PolarHBondContact O-N 2.82Å; S868-K870 PolarHBondContact O-N 3.14Å; K870-K874 VanDerWaalsContact O-CB 3.24Å; K870-K874 WeakPolarHBondContact O-CB 3.4Å; K870-K874 PolarHBondContact O-N 3.19Å
871	S	81.3	Confident	80.8	Confident	43 Å²	43	82 Å²	82	30%	0.301	40%	0.401	S	S	.	.	H	α-helix	trans	-68.6	-41	177.9	82.1	0	0	0	0	112.4	K867 S868 M869 R875	K867-S871 WeakPolarHBondContact O-CB 3.33Å; K867-S871 PolarHBondContact O-N 3.38Å; S868-S871 WeakPolarHBondContact O-CA 3.4Å; S868-S871 WeakPolarHBondContact O-CB 3.38Å; S868-S871 PolarHBondContact O-N 2.96Å; S868-S871 PolarHBondContact O-OG 3.36Å; M869-S871 VanDerWaalsContact C-N 3.27Å; M869-S871 PolarHBondContact O-N 3.38Å; S871-R875 WeakPolarHBondContact O-CG 3.29Å; S871-R875 PolarHBondContact O-N 3.39Å; S871-R875 VanDerWaalsContact O-N 3.08Å; S871-R875 PolarHBondContact OG-NH2 2.91Å; S871-R875 VanDerWaalsContact OG-NH2 3.1Å
872	V	80.7	Confident	79.8	Confident	77 Å²	77	90.3 Å²	90.3	47%	0.467	43%	0.43	S	S	.	.	H	α-helix	trans	-68.4	-46.4	176.1	174.6	0	0	0	0	110.4	S868 M869 K874 R875 S876	S868-V872 WeakPolarHBondContact O-CG2 3.18Å; S868-V872 PolarHBondContact O-N 3.28Å; M869-V872 PolarHBondContact O-N 2.81Å; V872-K874 VanDerWaalsContact C-N 3.35Å; V872-K874 PolarHBondContact O-N 3.48Å; V872-R875 WeakPolarHBondContact O-CB 3.26Å; V872-R875 PolarHBondContact O-N 2.74Å; V872-R875 VanDerWaalsContact O-N 3.15Å; V872-S876 WeakPolarHBondContact O-CB 3.36Å; V872-S876 PolarHBondContact O-N 3.31Å
873	H	78	Confident	78.9	Confident	49 Å²	49	91.2 Å²	91.2	23%	0.227	44%	0.439	C	S	.	.	H	α-helix	trans	-58.6	-44.6	176.3	-173.4	73.4	0	0	0	111.7	M869 R875 S876 I877	M869-H873 VanDerWaalsContact O-CB 3.28Å; M869-H873 WeakPolarHBondContact O-CB 3.33Å; M869-H873 PolarHBondContact O-N 2.89Å; H873-R875 PolarHBondContact O-N 3.42Å; H873-S876 PolarHBondContact O-N 3.16Å; H873-I877 VanDerWaalsContact NE2-CD1 3.26Å; H873-I877 WeakPolarHBondContact NE2-CD1 3.49Å; H873-I877 WeakPolarHBondContact O-CG1 3.5Å; H873-I877 PolarHBondContact O-N 2.93Å
874	K	80.2	Confident	77.7	Confident	144 Å²	144	89.6 Å²	89.6	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-58.5	-46.2	173.8	-176.4	178	-179.7	179.8	0	112	K870 V872 L878	K870-K874 VanDerWaalsContact O-CB 3.24Å; K870-K874 WeakPolarHBondContact O-CB 3.4Å; K870-K874 PolarHBondContact O-N 3.19Å; V872-K874 VanDerWaalsContact C-N 3.35Å; V872-K874 PolarHBondContact O-N 3.48Å; K874-L878 HydrophobicContact CG-CD1 4.34Å; K874-L878 VanDerWaalsContact O-CG 3.31Å; K874-L878 WeakPolarHBondContact O-CG 3.46Å; K874-L878 PolarHBondContact O-N 2.85Å; K874-L878 VanDerWaalsContact O-N 3.16Å
875	R	77.8	Confident	76.3	Confident	148 Å²	148	94.2 Å²	94.2	56%	0.558	46%	0.457	S	S	*	.	H	α-helix	trans	-61.6	-44.3	175.5	-77.3	-175.3	-72.9	-114.2	-3.3	111.7	S871 V872 H873 L878 T879	S871-R875 WeakPolarHBondContact O-CG 3.29Å; S871-R875 PolarHBondContact O-N 3.39Å; S871-R875 VanDerWaalsContact O-N 3.08Å; S871-R875 PolarHBondContact OG-NH2 2.91Å; S871-R875 VanDerWaalsContact OG-NH2 3.1Å; V872-R875 WeakPolarHBondContact O-CB 3.26Å; V872-R875 PolarHBondContact O-N 2.74Å; V872-R875 VanDerWaalsContact O-N 3.15Å; H873-R875 PolarHBondContact O-N 3.42Å; R875-L878 PolarHBondContact O-N 3.49Å; R875-T879 PolarHBondContact O-N 3.28Å; R875-T879 PolarHBondContact O-OG1 3.01Å
876	S	76.3	Confident	74.6	Confident	39 Å²	39	97 Å²	97	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-46.4	179.7	-176.8	0	0	0	0	112.3	V872 H873 L878 T879 L880	V872-S876 WeakPolarHBondContact O-CB 3.36Å; V872-S876 PolarHBondContact O-N 3.31Å; H873-S876 PolarHBondContact O-N 3.16Å; S876-L878 PolarHBondContact O-N 3.47Å; S876-T879 PolarHBondContact O-N 3.05Å; S876-L880 WeakPolarHBondContact O-CG 3.25Å; S876-L880 PolarHBondContact O-N 3.29Å
877	I	72.2	Confident	73.6	Confident	53 Å²	53	99.4 Å²	99.4	27%	0.272	48%	0.483	S	S	.	.	H	α-helix	trans	-58	-46.9	174.8	-70.4	167.5	0	0	0	111.1	H873 T879 L880 Q881	H873-I877 VanDerWaalsContact NE2-CD1 3.26Å; H873-I877 WeakPolarHBondContact NE2-CD1 3.49Å; H873-I877 WeakPolarHBondContact O-CG1 3.5Å; H873-I877 PolarHBondContact O-N 2.93Å; I877-T879 VanDerWaalsContact C-N 3.31Å; I877-T879 PolarHBondContact O-N 3.26Å; I877-L880 PolarHBondContact O-N 2.74Å; I877-Q881 HydrophobicContact CG2-CG 4.36Å; I877-Q881 WeakPolarHBondContact O-CB 3.45Å; I877-Q881 WeakPolarHBondContact O-CG 3.32Å; I877-Q881 PolarHBondContact O-N 3.31Å
878	L	74.4	Confident	72.7	Confident	89 Å²	89	96.9 Å²	96.9	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-41.5	178.6	-73.5	170	0	0	0	111.9	K874 R875 S876 R882	K874-L878 HydrophobicContact CG-CD1 4.34Å; K874-L878 VanDerWaalsContact O-CG 3.31Å; K874-L878 WeakPolarHBondContact O-CG 3.46Å; K874-L878 PolarHBondContact O-N 2.85Å; K874-L878 VanDerWaalsContact O-N 3.16Å; R875-L878 PolarHBondContact O-N 3.49Å; S876-L878 PolarHBondContact O-N 3.47Å; L878-R882 WeakPolarHBondContact O-CG 3.47Å; L878-R882 PolarHBondContact O-N 3.4Å
879	T	74	Confident	72.3	Confident	71 Å²	71	99 Å²	99	44%	0.436	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-42	177.1	-54.2	0	0	0	0	111.8	R875 S876 I877 R882 Q883	R875-T879 PolarHBondContact O-N 3.28Å; R875-T879 PolarHBondContact O-OG1 3.01Å; S876-T879 PolarHBondContact O-N 3.05Å; I877-T879 VanDerWaalsContact C-N 3.31Å; I877-T879 PolarHBondContact O-N 3.26Å; T879-R882 WeakPolarHBondContact O-CB 3.37Å; T879-R882 PolarHBondContact O-N 3.15Å; T879-Q883 PolarHBondContact O-N 2.86Å
880	L	69.3	Low	71.8	Confident	28 Å²	28	101.8 Å²	101.8	15%	0.147	50%	0.499	C	S	.	.	H	α-helix	trans	-69.5	-37.9	179.3	-70	172.4	0	0	0	112.7	S876 I877 R882 Q883 L886	S876-L880 WeakPolarHBondContact O-CG 3.25Å; S876-L880 PolarHBondContact O-N 3.29Å; I877-L880 PolarHBondContact O-N 2.74Å; L880-R882 VanDerWaalsContact C-N 3.27Å; L880-R882 PolarHBondContact O-N 3.19Å; L880-Q883 PolarHBondContact O-N 3.42Å; L880-Q883 VanDerWaalsContact O-N 3.13Å; L880-L886 HydrophobicContact CB-CD1 3.65Å; L880-L886 HydrophobicContact CD1-CD1 4.24Å
881	Q	68.9	Low	71.1	Confident	129 Å²	129	99.3 Å²	99.3	60%	0.603	49%	0.49	S	S	*	.	H	α-helix	trans	-57.8	-38.9	171.5	-80.4	-179.5	-27.6	0	0	111.9	I877 Q883	I877-Q881 HydrophobicContact CG2-CG 4.36Å; I877-Q881 WeakPolarHBondContact O-CB 3.45Å; I877-Q881 WeakPolarHBondContact O-CG 3.32Å; I877-Q881 PolarHBondContact O-N 3.31Å; Q881-Q883 VanDerWaalsContact C-N 3.3Å; Q881-Q883 PolarHBondContact O-N 2.82Å
882	R	67.4	Low	71	Confident	220 Å²	220	102.2 Å²	102.2	83%	0.83	50%	0.503	S	S	*	.	H	α-helix	trans	-65.2	-29.9	176.4	-76.1	177.4	177.6	179.8	-1.6	113.5	L878 T879 L880	L878-R882 WeakPolarHBondContact O-CG 3.47Å; L878-R882 PolarHBondContact O-N 3.4Å; T879-R882 WeakPolarHBondContact O-CB 3.37Å; T879-R882 PolarHBondContact O-N 3.15Å; L880-R882 VanDerWaalsContact C-N 3.27Å; L880-R882 PolarHBondContact O-N 3.19Å
883	Q	69.5	Low	71	Confident	121 Å²	121	103.4 Å²	103.4	57%	0.565	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	2.6	-174.8	-69.2	-178.2	-6.2	0	0	113.9	T879 L880 Q881 R885	T879-Q883 PolarHBondContact O-N 2.86Å; L880-Q883 PolarHBondContact O-N 3.42Å; L880-Q883 VanDerWaalsContact O-N 3.13Å; Q881-Q883 VanDerWaalsContact C-N 3.3Å; Q881-Q883 PolarHBondContact O-N 2.82Å; Q883-R885 PolarHBondContact O-N 3.02Å
884	S	64.3	Low	70.9	Confident	115 Å²	115	101.7 Å²	101.7	80%	0.804	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	20.2	178.8	66.9	0	0	0	0	115.5
885	R	58	Low	70.9	Confident	194 Å²	194	98.6 Å²	98.6	73%	0.732	49%	0.485	S	S	*	.			trans	-129.6	82.6	178.5	-73.5	-178.5	166.8	163.4	-3	108.3	Q883 Q890	Q883-R885 PolarHBondContact O-N 3.02Å; R885-Q890 PolarHBondContact O-OE1 3.16Å
886	L	51.5	Low	71.3	Confident	87 Å²	87	97.8 Å²	97.8	46%	0.455	49%	0.486	S	S	.	.			trans	-106.6	88.4	172.8	-158.4	83.7	0	0	0	108.3	L880 M891	L880-L886 HydrophobicContact CB-CD1 3.65Å; L880-L886 HydrophobicContact CD1-CD1 4.24Å; L886-M891 HydrophobicContact CD2-SD 4.1Å
887	N	64	Low	71.6	Confident	107 Å²	107	102.8 Å²	102.8	57%	0.572	50%	0.498	S	S	*	.			trans	-86.1	135.4	170	-72.1	-4.7	0	0	0	108.7	I889 Q890	N887-I889 PolarHBondContact O-N 3.19Å; N887-Q890 PolarHBondContact O-N 3.41Å
888	T	68.8	Low	72.1	Confident	105 Å²	105	102.3 Å²	102.3	64%	0.644	50%	0.496	S	S	*	.	H	α-helix	trans	-48.1	-30.4	177.5	-52.2	0	0	0	0	113.2	Q890 M891 N892	T888-Q890 PolarHBondContact O-N 2.83Å; T888-M891 PolarHBondContact O-N 3.39Å; T888-N892 PolarHBondContact O-N 3.14Å
889	I	75.3	Confident	72.7	Confident	110 Å²	110	101.8 Å²	101.8	56%	0.564	49%	0.494	S	S	*	.	H	α-helix	trans	-57.7	-47.4	175.6	-59.9	172.2	0	0	0	111.7	N887 M891 N892 E893	N887-I889 PolarHBondContact O-N 3.19Å; I889-M891 VanDerWaalsContact C-N 3.35Å; I889-M891 PolarHBondContact O-N 2.88Å; I889-N892 PolarHBondContact O-N 2.91Å; I889-E893 HydrophobicContact CG2-CG 4.48Å; I889-E893 WeakPolarHBondContact CG2-OE1 3.34Å; I889-E893 WeakPolarHBondContact O-CG 3.33Å; I889-E893 PolarHBondContact O-N 2.81Å
890	Q	71.4	Confident	73.4	Confident	71 Å²	71	102.6 Å²	102.6	33%	0.332	49%	0.492	S	S	.	.	H	α-helix	trans	-67.8	-34.6	-177.6	-69.1	179.7	-23.5	0	0	112.5	R885 N887 T888 A894	R885-Q890 PolarHBondContact O-OE1 3.16Å; N887-Q890 PolarHBondContact O-N 3.41Å; T888-Q890 PolarHBondContact O-N 2.83Å; Q890-A894 WeakPolarHBondContact O-CB 3.48Å; Q890-A894 PolarHBondContact O-N 2.94Å
891	M	70.1	Confident	74.3	Confident	85 Å²	85	106.3 Å²	106.3	42%	0.419	51%	0.509	S	S	.	.	H	α-helix	trans	-66	-44.6	173	-90	-165.6	46.2	0	0	111.6	L886 T888 I889 E893 A894 Q895	L886-M891 HydrophobicContact CD2-SD 4.1Å; T888-M891 PolarHBondContact O-N 3.39Å; I889-M891 VanDerWaalsContact C-N 3.35Å; I889-M891 PolarHBondContact O-N 2.88Å; M891-E893 VanDerWaalsContact C-N 3.32Å; M891-E893 PolarHBondContact O-N 3.21Å; M891-A894 PolarHBondContact O-N 3.38Å; M891-Q895 WeakPolarHBondContact O-CB 3.49Å; M891-Q895 PolarHBondContact O-N 3.3Å
892	N	78.6	Confident	75.2	Confident	105 Å²	105	102.5 Å²	102.5	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-63.2	-38.3	176.3	-70.8	-12.9	0	0	0	111.6	T888 I889 Q895 K896	T888-N892 PolarHBondContact O-N 3.14Å; I889-N892 PolarHBondContact O-N 2.91Å; N892-Q895 PolarHBondContact O-N 2.88Å; N892-K896 VanDerWaalsContact O-CB 3.26Å; N892-K896 WeakPolarHBondContact O-CB 3.25Å; N892-K896 PolarHBondContact O-N 3.45Å
893	E	80.2	Confident	76.4	Confident	101 Å²	101	98.4 Å²	98.4	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-40.8	174.1	-74.9	172	-177.7	0	0	112.9	I889 M891 K896 R897	I889-E893 HydrophobicContact CG2-CG 4.48Å; I889-E893 WeakPolarHBondContact CG2-OE1 3.34Å; I889-E893 WeakPolarHBondContact O-CG 3.33Å; I889-E893 PolarHBondContact O-N 2.81Å; M891-E893 VanDerWaalsContact C-N 3.32Å; M891-E893 PolarHBondContact O-N 3.21Å; E893-K896 PolarHBondContact O-N 2.87Å; E893-R897 WeakPolarHBondContact O-CG 3.37Å; E893-R897 PolarHBondContact O-N 3.48Å
894	A	76	Confident	77.5	Confident	14 Å²	14	98.6 Å²	98.6	12%	0.116	49%	0.487	C	S	.	.	H	α-helix	trans	-65.9	-40.6	175.3	0	0	0	0	0	111.8	Q890 M891 M898	Q890-A894 WeakPolarHBondContact O-CB 3.48Å; Q890-A894 PolarHBondContact O-N 2.94Å; M891-A894 PolarHBondContact O-N 3.38Å; A894-M898 PolarHBondContact O-N 3.09Å; A894-M898 VanDerWaalsContact O-N 3.12Å
895	Q	81.1	Confident	78.8	Confident	79 Å²	79	94.2 Å²	94.2	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-66.4	-40.1	174.4	-176.7	65.6	30.3	0	0	111.7	M891 N892 M898 N899	M891-Q895 WeakPolarHBondContact O-CB 3.49Å; M891-Q895 PolarHBondContact O-N 3.3Å; N892-Q895 PolarHBondContact O-N 2.88Å; Q895-M898 VanDerWaalsContact CD-CE 3.45Å; Q895-M898 WeakPolarHBondContact O-CB 3.29Å; Q895-M898 PolarHBondContact O-N 3.19Å; Q895-N899 PolarHBondContact NE2-OD1 3.19Å; Q895-N899 PolarHBondContact O-N 3.4Å
896	K	85.5	Confident	80.4	Confident	130 Å²	130	89.2 Å²	89.2	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-60.8	-48.5	175.4	-171.3	-170.1	-179.3	-149.7	0	111.1	N892 E893 M898 N899 E900	N892-K896 VanDerWaalsContact O-CB 3.26Å; N892-K896 WeakPolarHBondContact O-CB 3.25Å; N892-K896 PolarHBondContact O-N 3.45Å; E893-K896 PolarHBondContact O-N 2.87Å; K896-M898 VanDerWaalsContact C-N 3.27Å; K896-M898 PolarHBondContact O-N 3Å; K896-N899 PolarHBondContact O-N 3.03Å; K896-E900 WeakPolarHBondContact CE-OE1 3.35Å; K896-E900 IonicContact NZ-OE1 3.01Å; K896-E900 PolarHBondContact NZ-OE1 2.81Å; K896-E900 WeakPolarHBondContact O-CG 3.5Å; K896-E900 PolarHBondContact O-N 3.39Å
897	R	83	Confident	82.4	Confident	144 Å²	144	88.7 Å²	88.7	54%	0.543	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-39.2	175	-78.1	-171.7	-77	173.2	-8	112.7	E893 E900 E901	E893-R897 WeakPolarHBondContact O-CG 3.37Å; E893-R897 PolarHBondContact O-N 3.48Å; R897-E900 PolarHBondContact O-N 3.13Å; R897-E901 PolarHBondContact O-N 3.25Å
898	M	83.1	Confident	83.8	Confident	44 Å²	44	88.3 Å²	88.3	22%	0.217	44%	0.436	C	S	.	.	H	α-helix	trans	-65.1	-39.3	175.7	-172.3	-176.3	68.9	0	0	112.3	M869 A894 Q895 K896 L902	M869-M898 HydrophobicContact CB-CG 4.02Å; M869-M898 HydrophobicContact CB-SD 4.4Å; M869-M898 HydrophobicContact CE-CG 4.06Å; M869-M898 HydrophobicContact CG-CG 4.27Å; M869-M898 HydrophobicContact SD-CB 4.43Å; M869-M898 HydrophobicContact SD-CG 3.54Å; M869-M898 VanDerWaalsContact SD-CG 3.54Å; M869-M898 VanDerWaalsContact SD-O 3.42Å; A894-M898 PolarHBondContact O-N 3.09Å; A894-M898 VanDerWaalsContact O-N 3.12Å; Q895-M898 VanDerWaalsContact CD-CE 3.45Å; Q895-M898 WeakPolarHBondContact O-CB 3.29Å; Q895-M898 PolarHBondContact O-N 3.19Å; K896-M898 VanDerWaalsContact C-N 3.27Å; K896-M898 PolarHBondContact O-N 3Å; M898-L902 PolarHBondContact O-N 3.39Å
899	N	86.6	Confident	85.1	Confident	78 Å²	78	83.7 Å²	83.7	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-68.6	-41.2	175.4	-68.8	-5	0	0	0	111.4	Q895 K896 E901 L902 E903	Q895-N899 PolarHBondContact NE2-OD1 3.19Å; Q895-N899 PolarHBondContact O-N 3.4Å; K896-N899 PolarHBondContact O-N 3.03Å; N899-E901 PolarHBondContact O-N 3.32Å; N899-L902 PolarHBondContact O-N 3.29Å; N899-L902 VanDerWaalsContact O-N 3.16Å; N899-E903 PolarHBondContact O-N 2.8Å
900	E	89.3	Confident	86	Confident	87 Å²	87	84.8 Å²	84.8	41%	0.407	41%	0.408	S	S	.	.	H	α-helix	trans	-60.2	-41.7	175.7	-71.3	167.8	-179.9	0	0	111.7	K896 R897 L902 E903 L904	K896-E900 WeakPolarHBondContact CE-OE1 3.35Å; K896-E900 IonicContact NZ-OE1 3.01Å; K896-E900 PolarHBondContact NZ-OE1 2.81Å; K896-E900 WeakPolarHBondContact O-CG 3.5Å; K896-E900 PolarHBondContact O-N 3.39Å; R897-E900 PolarHBondContact O-N 3.13Å; E900-L902 VanDerWaalsContact C-N 3.35Å; E900-L902 PolarHBondContact O-N 3.4Å; E900-E903 PolarHBondContact O-N 3.25Å; E900-L904 WeakPolarHBondContact O-CB 3.43Å; E900-L904 PolarHBondContact O-N 2.57Å
901	E	87.2	Confident	87.1	Confident	106 Å²	106	84.2 Å²	84.2	50%	0.495	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-38.5	173.9	-79.6	-175.2	-162.8	0	0	112.5	M869 R897 N899 L905	M869-E901 WeakPolarHBondContact CG-OE2 3.26Å; M869-E901 HydrophobicContact SD-CB 3.71Å; R897-E901 PolarHBondContact O-N 3.25Å; N899-E901 PolarHBondContact O-N 3.32Å; E901-L905 PolarHBondContact O-N 2.69Å
902	L	89.1	Confident	88.3	Confident	50 Å²	50	83.2 Å²	83.2	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-69.4	-42.2	177.4	-170.8	66.1	0	0	0	111.7	M869 M898 N899 E900 L905 E906	M869-L902 HydrophobicContact CE-CB 4.49Å; M869-L902 HydrophobicContact CE-CD1 4.42Å; M898-L902 PolarHBondContact O-N 3.39Å; N899-L902 PolarHBondContact O-N 3.29Å; N899-L902 VanDerWaalsContact O-N 3.16Å; E900-L902 VanDerWaalsContact C-N 3.35Å; E900-L902 PolarHBondContact O-N 3.4Å; L902-L905 PolarHBondContact O-N 2.65Å; L902-E906 WeakPolarHBondContact O-CG 3.33Å; L902-E906 PolarHBondContact O-N 3.07Å
903	E	91.7	Very high	89.1	Confident	133 Å²	133	80.7 Å²	80.7	62%	0.621	40%	0.398	S	S	*	.	H	α-helix	trans	-62.4	-40.9	174.5	-76.4	-179.1	-177	0	0	111.8	N899 E900 L905 E906 S907	N899-E903 PolarHBondContact O-N 2.8Å; E900-E903 PolarHBondContact O-N 3.25Å; E903-L905 VanDerWaalsContact C-N 3.34Å; E903-L905 PolarHBondContact O-N 3.06Å; E903-E906 PolarHBondContact O-N 2.88Å; E903-S907 WeakPolarHBondContact O-CB 3.37Å; E903-S907 PolarHBondContact O-N 3.36Å
904	L	92.1	Very high	89.8	Confident	126 Å²	126	79.4 Å²	79.4	66%	0.66	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-41.3	175.4	-175.5	66.1	0	0	0	111.5	E900 S907 K908	E900-L904 WeakPolarHBondContact O-CB 3.43Å; E900-L904 PolarHBondContact O-N 2.57Å; L904-S907 PolarHBondContact O-N 2.94Å; L904-K908 WeakPolarHBondContact O-CB 3.48Å; L904-K908 PolarHBondContact O-N 3.24Å
905	L	92.1	Very high	90.7	Very high	22 Å²	22	84.5 Å²	84.5	12%	0.115	42%	0.416	C	S	.	.	H	α-helix	trans	-64	-44.5	174.6	-179.2	66.6	0	0	0	111.5	E861 R862 C865 E901 L902 E903 S907 K908 Q909	E861-L905 HydrophobicContact CB-CD1 4.39Å; R862-L905 HydrophobicContact CB-CD2 4.34Å; C865-L905 HydrophobicContact CB-CD2 3.65Å; E901-L905 PolarHBondContact O-N 2.69Å; L902-L905 PolarHBondContact O-N 2.65Å; E903-L905 VanDerWaalsContact C-N 3.34Å; E903-L905 PolarHBondContact O-N 3.06Å; L905-S907 VanDerWaalsContact C-N 3.34Å; L905-K908 WeakPolarHBondContact O-CB 3.18Å; L905-K908 PolarHBondContact O-N 3.47Å; L905-Q909 HydrophobicContact CD1-CG 4.46Å; L905-Q909 HydrophobicContact CG-CG 4.49Å; L905-Q909 WeakPolarHBondContact O-CB 3.35Å; L905-Q909 VanDerWaalsContact O-CG 3.3Å; L905-Q909 WeakPolarHBondContact O-CG 3.29Å; L905-Q909 PolarHBondContact O-N 2.89Å
906	E	92.6	Very high	91.2	Very high	90 Å²	90	82.1 Å²	82.1	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-40	177.1	-74	-174.6	169.9	0	0	112	R862 L902 E903 Q909 K910	R862-E906 IonicContact NH2-OE1 3.32Å; L902-E906 WeakPolarHBondContact O-CG 3.33Å; L902-E906 PolarHBondContact O-N 3.07Å; E903-E906 PolarHBondContact O-N 2.88Å; E906-Q909 PolarHBondContact O-N 2.94Å; E906-K910 WeakPolarHBondContact O-CB 3.3Å; E906-K910 PolarHBondContact O-N 2.9Å
907	S	93.7	Very high	91.8	Very high	76 Å²	76	79.6 Å²	79.6	53%	0.531	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-45.1	173.3	-173.2	0	0	0	0	111.6	E903 L904 L905 K910 A911	E903-S907 WeakPolarHBondContact O-CB 3.37Å; E903-S907 PolarHBondContact O-N 3.36Å; L904-S907 PolarHBondContact O-N 2.94Å; L905-S907 VanDerWaalsContact C-N 3.34Å; S907-K910 PolarHBondContact O-N 2.85Å; S907-A911 PolarHBondContact O-N 3.08Å
908	K	93.5	Very high	92.3	Very high	98 Å²	98	79.3 Å²	79.3	43%	0.426	40%	0.399	S	S	.	.	H	α-helix	trans	-59.7	-46.8	173.4	-177.4	-164.2	174.9	-158.4	0	111.6	E861 L904 L905 A911 Q912	E861-K908 IonicContact OE1-NZ 3.97Å; E861-K908 PolarHBondContact OE1-NZ 3.01Å; L904-K908 WeakPolarHBondContact O-CB 3.48Å; L904-K908 PolarHBondContact O-N 3.24Å; L905-K908 WeakPolarHBondContact O-CB 3.18Å; L905-K908 PolarHBondContact O-N 3.47Å; K908-A911 PolarHBondContact O-N 2.65Å; K908-Q912 WeakPolarHBondContact O-CG 3.21Å; K908-Q912 PolarHBondContact O-N 3.01Å
909	Q	95.1	Very high	92.9	Very high	8 Å²	8	79.5 Å²	79.5	4%	0.037	40%	0.404	C	S	.	.	H	α-helix	trans	-63.1	-42.3	179.5	-73	-175.2	-9.9	0	0	111.5	H858 R862 L905 E906 Q912 T913	H858-Q909 VanDerWaalsContact CA-NE2 3.33Å; H858-Q909 HydrophobicContact CB-CG 4.26Å; H858-Q909 PolarHBondContact CE1-O 2.9Å; H858-Q909 VanDerWaalsContact CE1-O 3.23Å; H858-Q909 PolarHBondContact O-NE2 2.93Å; R862-Q909 VanDerWaalsContact NH2-OE1 3.11Å; L905-Q909 HydrophobicContact CD1-CG 4.46Å; L905-Q909 HydrophobicContact CG-CG 4.49Å; L905-Q909 WeakPolarHBondContact O-CB 3.35Å; L905-Q909 VanDerWaalsContact O-CG 3.3Å; L905-Q909 WeakPolarHBondContact O-CG 3.29Å; L905-Q909 PolarHBondContact O-N 2.89Å; E906-Q909 PolarHBondContact O-N 2.94Å; Q909-Q912 WeakPolarHBondContact O-CB 3.05Å; Q909-Q912 PolarHBondContact O-N 2.75Å; Q909-T913 PolarHBondContact O-N 2.87Å; Q909-T913 PolarHBondContact O-OG1 3.4Å
910	K	95.1	Very high	93.3	Very high	133 Å²	133	76.1 Å²	76.1	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-61.9	-44.8	175	-176.6	179.6	176.9	-176.2	0	112	E906 S907 Q912 T913 D914	E906-K910 WeakPolarHBondContact O-CB 3.3Å; E906-K910 PolarHBondContact O-N 2.9Å; S907-K910 PolarHBondContact O-N 2.85Å; K910-Q912 VanDerWaalsContact C-N 3.27Å; K910-Q912 PolarHBondContact O-N 3.26Å; K910-T913 WeakPolarHBondContact CA-OG1 3.45Å; K910-T913 PolarHBondContact O-N 3.37Å; K910-T913 PolarHBondContact O-OG1 3.08Å; K910-D914 WeakPolarHBondContact O-CB 3.29Å; K910-D914 PolarHBondContact O-N 3.36Å
911	A	94.3	Very high	93.5	Very high	59 Å²	59	78 Å²	78	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-59.4	-40.3	175.8	0	0	0	0	0	111.7	S907 K908 D914 E915	S907-A911 PolarHBondContact O-N 3.08Å; K908-A911 PolarHBondContact O-N 2.65Å; A911-D914 PolarHBondContact O-N 3.21Å; A911-E915 WeakPolarHBondContact O-CB 3.4Å; A911-E915 PolarHBondContact O-N 3.48Å
912	Q	94.2	Very high	93.9	Very high	65 Å²	65	78.4 Å²	78.4	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-39.3	175.5	-70.4	176.1	-27.5	0	0	113.2	L854 H858 K908 Q909 K910 L916	L854-Q912 HydrophobicContact CD1-CB 4.31Å; L854-Q912 HydrophobicContact CD2-CB 4.47Å; H858-Q912 PolarHBondContact CD2-OE1 3.46Å; H858-Q912 PolarHBondContact NE2-OE1 3.46Å; K908-Q912 WeakPolarHBondContact O-CG 3.21Å; K908-Q912 PolarHBondContact O-N 3.01Å; Q909-Q912 WeakPolarHBondContact O-CB 3.05Å; Q909-Q912 PolarHBondContact O-N 2.75Å; K910-Q912 VanDerWaalsContact C-N 3.27Å; K910-Q912 PolarHBondContact O-N 3.26Å; Q912-L916 PolarHBondContact O-N 3.41Å; Q912-L916 VanDerWaalsContact O-N 3.08Å
913	T	94.8	Very high	94.2	Very high	52 Å²	52	78.6 Å²	78.6	32%	0.319	39%	0.392	S	S	.	.	H	α-helix	trans	-66.1	-43.2	174.4	53.1	0	0	0	0	111.5	L854 Q909 K910 E915 L916 E917	L854-T913 HydrophobicContact CD2-CG2 4.06Å; Q909-T913 PolarHBondContact O-N 2.87Å; Q909-T913 PolarHBondContact O-OG1 3.4Å; K910-T913 WeakPolarHBondContact CA-OG1 3.45Å; K910-T913 PolarHBondContact O-N 3.37Å; K910-T913 PolarHBondContact O-OG1 3.08Å; T913-E915 VanDerWaalsContact C-N 3.31Å; T913-E915 PolarHBondContact O-N 2.72Å; T913-L916 PolarHBondContact O-N 3.39Å; T913-E917 WeakPolarHBondContact O-CG 3.36Å; T913-E917 PolarHBondContact O-N 2.83Å
914	D	95.9	Very high	94.3	Very high	73 Å²	73	75 Å²	75	39%	0.39	38%	0.377	S	S	.	.	H	α-helix	trans	-64.8	-38.4	-179.3	-68.6	-9.5	0	0	0	110.9	K910 A911 E917 K918	K910-D914 WeakPolarHBondContact O-CB 3.29Å; K910-D914 PolarHBondContact O-N 3.36Å; A911-D914 PolarHBondContact O-N 3.21Å; D914-E917 PolarHBondContact O-N 3.12Å; D914-K918 VanDerWaalsContact O-CG 3.3Å; D914-K918 WeakPolarHBondContact O-CG 3.48Å; D914-K918 PolarHBondContact O-N 3.24Å
915	E	94	Very high	94.5	Very high	121 Å²	121	74.4 Å²	74.4	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-64.4	-44.5	174.1	-172.5	57.9	-153.5	0	0	112.1	A911 T913 E917 K918 S919	A911-E915 WeakPolarHBondContact O-CB 3.4Å; A911-E915 PolarHBondContact O-N 3.48Å; T913-E915 VanDerWaalsContact C-N 3.31Å; T913-E915 PolarHBondContact O-N 2.72Å; E915-E917 PolarHBondContact O-N 3Å; E915-K918 PolarHBondContact O-N 3.48Å; E915-S919 WeakPolarHBondContact O-CB 3.47Å; E915-S919 PolarHBondContact O-N 3.15Å
916	L	93.3	Very high	94.5	Very high	30 Å²	30	78.1 Å²	78.1	16%	0.157	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-44	175.5	-179.6	62.4	0	0	0	111.2	E850 R851 L854 Q912 T913 S919 I920	E850-L916 HydrophobicContact CB-CD1 4.22Å; E850-L916 HydrophobicContact CB-CD2 4.42Å; R851-L916 HydrophobicContact CG-CD2 4.25Å; L854-L916 HydrophobicContact CB-CD2 4.22Å; L854-L916 HydrophobicContact CD2-CB 4.13Å; L854-L916 HydrophobicContact CD2-CD2 3.68Å; Q912-L916 PolarHBondContact O-N 3.41Å; Q912-L916 VanDerWaalsContact O-N 3.08Å; T913-L916 PolarHBondContact O-N 3.39Å; L916-S919 WeakPolarHBondContact O-CB 3.49Å; L916-S919 PolarHBondContact O-N 3.35Å; L916-I920 HydrophobicContact CD1-CD1 4.26Å; L916-I920 HydrophobicContact CD1-CG1 4.39Å; L916-I920 HydrophobicContact CD2-CD1 4.47Å; L916-I920 HydrophobicContact CG-CD1 3.83Å; L916-I920 HydrophobicContact CG-CG1 4.42Å; L916-I920 WeakPolarHBondContact O-CD1 3.44Å; L916-I920 WeakPolarHBondContact O-CG1 3.26Å; L916-I920 PolarHBondContact O-N 3.41Å
917	E	96.5	Very high	94.5	Very high	77 Å²	77	75.3 Å²	75.3	36%	0.36	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-38.6	179.1	-70.5	-59.5	149.7	0	0	112.7	R851 T913 D914 E915 I920 H921	R851-E917 IonicContact CZ-OE1 3.52Å; R851-E917 VanDerWaalsContact CZ-OE1 3.25Å; R851-E917 IonicContact CZ-OE2 3.3Å; R851-E917 IonicContact NE-OE1 3.78Å; R851-E917 PolarHBondContact NE-OE1 3.36Å; R851-E917 IonicContact NE-OE2 2.64Å; R851-E917 VanDerWaalsContact NH2-CD 3.25Å; R851-E917 IonicContact NH2-OE1 2.66Å; R851-E917 PolarHBondContact NH2-OE1 3.19Å; R851-E917 IonicContact NH2-OE2 2.72Å; R851-E917 PolarHBondContact NH2-OE2 3.32Å; T913-E917 WeakPolarHBondContact O-CG 3.36Å; T913-E917 PolarHBondContact O-N 2.83Å; D914-E917 PolarHBondContact O-N 3.12Å; E915-E917 PolarHBondContact O-N 3Å; E917-I920 PolarHBondContact O-N 3.3Å; E917-H921 WeakPolarHBondContact O-CB 3.5Å; E917-H921 PolarHBondContact O-N 3.26Å
918	K	95	Very high	94.5	Very high	138 Å²	138	77.8 Å²	77.8	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-60.8	-46	171.4	-73.9	172.7	-174.8	175.8	0	111.6	D914 E915 I920 H921 F922	D914-K918 VanDerWaalsContact O-CG 3.3Å; D914-K918 WeakPolarHBondContact O-CG 3.48Å; D914-K918 PolarHBondContact O-N 3.24Å; E915-K918 PolarHBondContact O-N 3.48Å; K918-I920 VanDerWaalsContact C-N 3.32Å; K918-I920 PolarHBondContact O-N 2.81Å; K918-H921 PolarHBondContact O-N 3.05Å; K918-F922 PolarHBondContact O-N 2.81Å
919	S	94.2	Very high	94.5	Very high	48 Å²	48	77.7 Å²	77.7	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-37.8	175.9	175.5	0	0	0	0	112.5	E915 L916 R923	E915-S919 WeakPolarHBondContact O-CB 3.47Å; E915-S919 PolarHBondContact O-N 3.15Å; L916-S919 WeakPolarHBondContact O-CB 3.49Å; L916-S919 PolarHBondContact O-N 3.35Å; S919-R923 WeakPolarHBondContact O-CG 3.43Å; S919-R923 PolarHBondContact O-N 3.3Å; S919-R923 VanDerWaalsContact O-N 3.12Å; S919-R923 PolarHBondContact O-NE 2.83Å
920	I	94.6	Very high	94.4	Very high	6 Å²	6	79.2 Å²	79.2	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-47.3	174.8	-69.7	163.3	0	0	0	111	I847 R851 L916 E917 K918 F922 R923 L924	I847-I920 HydrophobicContact CD1-CG2 3.64Å; I847-I920 HydrophobicContact CG1-CG1 4.09Å; I847-I920 HydrophobicContact CG1-CG2 4Å; I847-I920 HydrophobicContact CG2-CD1 3.65Å; I847-I920 HydrophobicContact CG2-CG1 4Å; I847-I920 HydrophobicContact CG2-CG2 4Å; R851-I920 HydrophobicContact CG-CD1 4.26Å; L916-I920 HydrophobicContact CD1-CD1 4.26Å; L916-I920 HydrophobicContact CD1-CG1 4.39Å; L916-I920 HydrophobicContact CD2-CD1 4.47Å; L916-I920 HydrophobicContact CG-CD1 3.83Å; L916-I920 HydrophobicContact CG-CG1 4.42Å; L916-I920 WeakPolarHBondContact O-CD1 3.44Å; L916-I920 WeakPolarHBondContact O-CG1 3.26Å; L916-I920 PolarHBondContact O-N 3.41Å; E917-I920 PolarHBondContact O-N 3.3Å; K918-I920 VanDerWaalsContact C-N 3.32Å; K918-I920 PolarHBondContact O-N 2.81Å; I920-F922 VanDerWaalsContact C-N 3.35Å; I920-F922 PolarHBondContact O-N 3.42Å; I920-R923 PolarHBondContact O-N 3.22Å; I920-L924 HydrophobicContact CG2-CD1 3.97Å; I920-L924 WeakPolarHBondContact O-CG 3.48Å; I920-L924 PolarHBondContact O-N 3.47Å
921	H	95	Very high	94.3	Very high	126 Å²	126	74.7 Å²	74.7	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-60.1	-46	-179.6	-176.5	62.4	0	0	0	111.4	E917 K918 L924 Q925	E917-H921 WeakPolarHBondContact O-CB 3.5Å; E917-H921 PolarHBondContact O-N 3.26Å; K918-H921 PolarHBondContact O-N 3.05Å; H921-L924 PolarHBondContact O-N 3.32Å; H921-Q925 PolarHBondContact O-N 3.12Å
922	F	95	Very high	94.3	Very high	115 Å²	115	75.3 Å²	75.3	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-58.9	-49.4	176.2	-175.6	-102.5	0	0	0	111.9	K918 I920 L924 Q925 E926	K918-F922 PolarHBondContact O-N 2.81Å; I920-F922 VanDerWaalsContact C-N 3.35Å; I920-F922 PolarHBondContact O-N 3.42Å; F922-L924 VanDerWaalsContact C-N 3.32Å; F922-L924 PolarHBondContact O-N 3.27Å; F922-Q925 PolarHBondContact O-N 2.96Å; F922-E926 HydrophobicContact CD1-CG 4.18Å; F922-E926 HydrophobicContact CE1-CG 3.83Å; F922-E926 WeakPolarHBondContact CE1-OE1 3.41Å; F922-E926 WeakPolarHBondContact CE1-OE2 3.33Å; F922-E926 HydrophobicContact CE2-CG 4.41Å; F922-E926 HydrophobicContact CZ-CG 3.95Å; F922-E926 VanDerWaalsContact CZ-OE1 3.22Å; F922-E926 WeakPolarHBondContact CZ-OE1 3.4Å; F922-E926 WeakPolarHBondContact O-CG 3.19Å; F922-E926 PolarHBondContact O-N 2.63Å
923	R	95.2	Very high	94.2	Very high	54 Å²	54	77.2 Å²	77.2	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-61	-35.8	177.9	-75.1	-178.6	-72.2	173.7	-2.4	113.6	L843 E850 S919 I920 L927	L843-R923 HydrophobicContact CD1-CB 4.38Å; L843-R923 HydrophobicContact CD2-CB 4.44Å; E850-R923 IonicContact OE1-CZ 3.47Å; E850-R923 IonicContact OE1-NH1 2.77Å; E850-R923 PolarHBondContact OE1-NH1 3.43Å; E850-R923 IonicContact OE1-NH2 3.9Å; E850-R923 IonicContact OE2-CZ 3.66Å; E850-R923 IonicContact OE2-NH1 2.74Å; E850-R923 PolarHBondContact OE2-NH1 2.94Å; E850-R923 VanDerWaalsContact OE2-NH1 3.12Å; E850-R923 IonicContact OE2-NH2 3.81Å; E850-R923 PolarHBondContact OE2-NH2 3.3Å; S919-R923 WeakPolarHBondContact O-CG 3.43Å; S919-R923 PolarHBondContact O-N 3.3Å; S919-R923 VanDerWaalsContact O-N 3.12Å; S919-R923 PolarHBondContact O-NE 2.83Å; I920-R923 PolarHBondContact O-N 3.22Å; R923-L927 WeakPolarHBondContact O-CB 3.2Å; R923-L927 PolarHBondContact O-N 3.43Å; R923-L927 VanDerWaalsContact O-N 3.09Å
924	L	95	Very high	94.1	Very high	59 Å²	59	78.3 Å²	78.3	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-69.4	-40.9	176	-75.6	169.8	0	0	0	111.7	L840 L843 I847 I920 H921 F922 L927 E928	L840-L924 HydrophobicContact CD1-CD2 3.96Å; L843-L924 HydrophobicContact CD2-CD2 3.8Å; L843-L924 HydrophobicContact CD2-CG 4.35Å; L843-L924 HydrophobicContact CG-CD2 4.44Å; I847-L924 HydrophobicContact CD1-CD1 4.38Å; I847-L924 HydrophobicContact CD1-CD2 4.23Å; I847-L924 HydrophobicContact CD1-CG 4.23Å; I920-L924 HydrophobicContact CG2-CD1 3.97Å; I920-L924 WeakPolarHBondContact O-CG 3.48Å; I920-L924 PolarHBondContact O-N 3.47Å; H921-L924 PolarHBondContact O-N 3.32Å; F922-L924 VanDerWaalsContact C-N 3.32Å; F922-L924 PolarHBondContact O-N 3.27Å; L924-L927 PolarHBondContact O-N 2.77Å; L924-E928 PolarHBondContact O-N 3.02Å
925	Q	94.9	Very high	94.1	Very high	112 Å²	112	81.8 Å²	81.8	52%	0.523	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-43.3	176.6	-173.8	-179.3	0.4	0	0	111.6	H921 F922 L927 E928 Q929	H921-Q925 PolarHBondContact O-N 3.12Å; F922-Q925 PolarHBondContact O-N 2.96Å; Q925-L927 VanDerWaalsContact C-N 3.33Å; Q925-L927 PolarHBondContact O-N 2.9Å; Q925-E928 PolarHBondContact O-N 2.98Å; Q925-Q929 WeakPolarHBondContact O-CB 3.37Å; Q925-Q929 PolarHBondContact O-N 3.41Å
926	E	93.4	Very high	94.1	Very high	101 Å²	101	79.9 Å²	79.9	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-42.5	174.3	-75	-173.1	134.9	0	0	111.8	F922 Q929 S930	F922-E926 HydrophobicContact CD1-CG 4.18Å; F922-E926 HydrophobicContact CE1-CG 3.83Å; F922-E926 WeakPolarHBondContact CE1-OE1 3.41Å; F922-E926 WeakPolarHBondContact CE1-OE2 3.33Å; F922-E926 HydrophobicContact CE2-CG 4.41Å; F922-E926 HydrophobicContact CZ-CG 3.95Å; F922-E926 VanDerWaalsContact CZ-OE1 3.22Å; F922-E926 WeakPolarHBondContact CZ-OE1 3.4Å; F922-E926 WeakPolarHBondContact O-CG 3.19Å; F922-E926 PolarHBondContact O-N 2.63Å; E926-Q929 PolarHBondContact O-N 3.43Å; E926-S930 VanDerWaalsContact O-CB 3.23Å; E926-S930 WeakPolarHBondContact O-CB 3.26Å; E926-S930 PolarHBondContact O-N 2.92Å
927	L	91.6	Very high	94.2	Very high	31 Å²	31	81.3 Å²	81.3	16%	0.162	40%	0.395	C	S	.	.	H	α-helix	trans	-64.3	-45	177.1	-175.4	65.6	0	0	0	111.2	E839 L840 L843 R923 L924 Q925 S930 T931	E839-L927 HydrophobicContact CB-CD1 4.07Å; L840-L927 HydrophobicContact CB-CD2 4.16Å; L840-L927 HydrophobicContact CD1-CD2 4.13Å; L843-L927 HydrophobicContact CB-CD2 4.38Å; L843-L927 HydrophobicContact CD2-CB 4.24Å; L843-L927 HydrophobicContact CD2-CD2 3.74Å; R923-L927 WeakPolarHBondContact O-CB 3.2Å; R923-L927 PolarHBondContact O-N 3.43Å; R923-L927 VanDerWaalsContact O-N 3.09Å; L924-L927 PolarHBondContact O-N 2.77Å; Q925-L927 VanDerWaalsContact C-N 3.33Å; Q925-L927 PolarHBondContact O-N 2.9Å; L927-S930 PolarHBondContact O-N 3.24Å; L927-T931 VanDerWaalsContact O-CG2 3.26Å; L927-T931 WeakPolarHBondContact O-CG2 3.46Å; L927-T931 PolarHBondContact O-N 3.46Å; L927-T931 PolarHBondContact O-OG1 2.81Å
928	E	94.2	Very high	94.1	Very high	127 Å²	127	78.6 Å²	78.6	59%	0.593	38%	0.383	S	S	*	.	H	α-helix	trans	-59.8	-49.2	176.6	-177.2	171.5	-162.5	0	0	111.4	L924 Q925 S930 T931 I932	L924-E928 PolarHBondContact O-N 3.02Å; Q925-E928 PolarHBondContact O-N 2.98Å; E928-S930 VanDerWaalsContact C-N 3.34Å; E928-S930 PolarHBondContact O-N 2.72Å; E928-T931 PolarHBondContact O-N 3.43Å; E928-T931 VanDerWaalsContact O-N 3.11Å; E928-T931 PolarHBondContact O-OG1 3.36Å; E928-I932 HydrophobicContact CG-CD1 4.2Å; E928-I932 WeakPolarHBondContact O-CG1 3.45Å; E928-I932 PolarHBondContact O-N 3.23Å
929	Q	93	Very high	94.1	Very high	96 Å²	96	75.1 Å²	75.1	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-46.2	176.8	-178	58.6	27.8	0	0	111.4	Q925 E926 T931 I932 E933	Q925-Q929 WeakPolarHBondContact O-CB 3.37Å; Q925-Q929 PolarHBondContact O-N 3.41Å; E926-Q929 PolarHBondContact O-N 3.43Å; Q929-T931 VanDerWaalsContact C-N 3.3Å; Q929-T931 PolarHBondContact O-N 2.94Å; Q929-I932 PolarHBondContact O-N 2.94Å; Q929-E933 WeakPolarHBondContact CG-OE1 3.04Å; Q929-E933 PolarHBondContact NE2-OE1 2.98Å; Q929-E933 WeakPolarHBondContact O-CG 3.5Å; Q929-E933 PolarHBondContact O-N 3.01Å
930	S	93.1	Very high	94.1	Very high	41 Å²	41	77.8 Å²	77.8	29%	0.287	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-38.4	175.9	-173.9	0	0	0	0	112.2	E926 L927 E928 K934	E926-S930 VanDerWaalsContact O-CB 3.23Å; E926-S930 WeakPolarHBondContact O-CB 3.26Å; E926-S930 PolarHBondContact O-N 2.92Å; L927-S930 PolarHBondContact O-N 3.24Å; E928-S930 VanDerWaalsContact C-N 3.34Å; E928-S930 PolarHBondContact O-N 2.72Å; S930-K934 WeakPolarHBondContact O-CB 3.29Å; S930-K934 WeakPolarHBondContact O-CG 3.28Å; S930-K934 PolarHBondContact O-N 3.35Å; S930-K934 WeakPolarHBondContact OG-CE 3.4Å
931	T	92.5	Very high	94.2	Very high	37 Å²	37	81.5 Å²	81.5	23%	0.227	40%	0.398	C	S	.	.	H	α-helix	trans	-68.6	-37	176.9	61.3	0	0	0	0	112.9	L927 E928 Q929 R935	L927-T931 VanDerWaalsContact O-CG2 3.26Å; L927-T931 WeakPolarHBondContact O-CG2 3.46Å; L927-T931 PolarHBondContact O-N 3.46Å; L927-T931 PolarHBondContact O-OG1 2.81Å; E928-T931 PolarHBondContact O-N 3.43Å; E928-T931 VanDerWaalsContact O-N 3.11Å; E928-T931 PolarHBondContact O-OG1 3.36Å; Q929-T931 VanDerWaalsContact C-N 3.3Å; Q929-T931 PolarHBondContact O-N 2.94Å; T931-R935 WeakPolarHBondContact O-CB 3.26Å; T931-R935 PolarHBondContact O-N 3.28Å
932	I	94.1	Very high	94.2	Very high	73 Å²	73	76.6 Å²	76.6	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-46	175.2	-67.6	167.9	0	0	0	110.1	E928 Q929 R935 N936	E928-I932 HydrophobicContact CG-CD1 4.2Å; E928-I932 WeakPolarHBondContact O-CG1 3.45Å; E928-I932 PolarHBondContact O-N 3.23Å; Q929-I932 PolarHBondContact O-N 2.94Å; I932-R935 WeakPolarHBondContact O-CB 3.17Å; I932-R935 PolarHBondContact O-N 3.31Å; I932-N936 PolarHBondContact O-N 3.05Å
933	E	93.2	Very high	94.2	Very high	105 Å²	105	74.9 Å²	74.9	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-47.3	177.2	-73.3	169.2	-172	0	0	112	Q929 R935 N936 A937	Q929-E933 WeakPolarHBondContact CG-OE1 3.04Å; Q929-E933 PolarHBondContact NE2-OE1 2.98Å; Q929-E933 WeakPolarHBondContact O-CG 3.5Å; Q929-E933 PolarHBondContact O-N 3.01Å; E933-R935 VanDerWaalsContact C-N 3.25Å; E933-R935 PolarHBondContact O-N 2.65Å; E933-N936 PolarHBondContact O-N 2.98Å; E933-A937 WeakPolarHBondContact O-CB 2.99Å; E933-A937 PolarHBondContact O-N 3.1Å
934	K	93.3	Very high	94.3	Very high	74 Å²	74	78.1 Å²	78.1	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-38.8	175.1	-71.2	169	-172.3	174.8	0	111.5	L832 E839 S930 L938	L832-K934 HydrophobicContact CD1-CB 3.87Å; L832-K934 HydrophobicContact CD1-CD 4.12Å; L832-K934 HydrophobicContact CD2-CB 4.16Å; E839-K934 IonicContact OE1-NZ 3.89Å; E839-K934 PolarHBondContact OE1-NZ 3.04Å; E839-K934 VanDerWaalsContact OE1-NZ 3.14Å; E839-K934 IonicContact OE2-NZ 3.59Å; E839-K934 PolarHBondContact OE2-NZ 2.75Å; S930-K934 WeakPolarHBondContact O-CB 3.29Å; S930-K934 WeakPolarHBondContact O-CG 3.28Å; S930-K934 PolarHBondContact O-N 3.35Å; S930-K934 WeakPolarHBondContact OG-CE 3.4Å; K934-L938 WeakPolarHBondContact O-CB 3.44Å; K934-L938 PolarHBondContact O-N 3.06Å
935	R	94.7	Very high	94.2	Very high	147 Å²	147	81.4 Å²	81.4	56%	0.555	40%	0.399	S	S	*	.	H	α-helix	trans	-69.1	-45.9	178.7	-177.5	-175.1	177.7	113.5	-0.4	111.9	L832 T931 I932 E933 L938 I939	L832-R935 HydrophobicContact CD2-CB 4.31Å; T931-R935 WeakPolarHBondContact O-CB 3.26Å; T931-R935 PolarHBondContact O-N 3.28Å; I932-R935 WeakPolarHBondContact O-CB 3.17Å; I932-R935 PolarHBondContact O-N 3.31Å; E933-R935 VanDerWaalsContact C-N 3.25Å; E933-R935 PolarHBondContact O-N 2.65Å; R935-L938 WeakPolarHBondContact O-CB 3.26Å; R935-L938 PolarHBondContact O-N 2.69Å; R935-I939 HydrophobicContact CG-CD1 4.28Å; R935-I939 WeakPolarHBondContact O-CG1 3.49Å; R935-I939 PolarHBondContact O-N 3.5Å; R935-I939 VanDerWaalsContact O-N 3.1Å
936	N	94.4	Very high	94.3	Very high	80 Å²	80	77 Å²	77	43%	0.428	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-44.9	179.6	-70.5	-12.7	0	0	0	111.1	I932 E933 L938 I939 D940	I932-N936 PolarHBondContact O-N 3.05Å; E933-N936 PolarHBondContact O-N 2.98Å; N936-L938 PolarHBondContact O-N 3.08Å; N936-I939 WeakPolarHBondContact O-CA 3.28Å; N936-I939 WeakPolarHBondContact O-CB 3.24Å; N936-I939 PolarHBondContact O-N 2.62Å; N936-D940 PolarHBondContact O-N 2.79Å
937	A	95	Very high	94.5	Very high	60 Å²	60	77 Å²	77	50%	0.496	38%	0.378	S	S	.	.	H	α-helix	trans	-57.7	-34.9	174.8	0	0	0	0	0	112.7	E933 Q941	E933-A937 WeakPolarHBondContact O-CB 2.99Å; E933-A937 PolarHBondContact O-N 3.1Å; A937-Q941 WeakPolarHBondContact O-CB 3.44Å; A937-Q941 PolarHBondContact O-N 3.35Å
938	L	94.8	Very high	94.7	Very high	20 Å²	20	79.2 Å²	79.2	11%	0.105	39%	0.388	C	S	.	.	H	α-helix	trans	-69.8	-38.7	175.1	-175.3	63.5	0	0	0	112.4	F825 K828 R829 L832 K934 R935 N936 Q941 E942	F825-L938 HydrophobicContact CD1-CD1 3.89Å; F825-L938 HydrophobicContact CD1-CG 4.42Å; F825-L938 HydrophobicContact CE1-CD1 3.96Å; K828-L938 HydrophobicContact CB-CD1 4.04Å; K828-L938 HydrophobicContact CB-CD2 4.03Å; K828-L938 HydrophobicContact CD-CD1 3.91Å; R829-L938 HydrophobicContact CB-CD2 4.47Å; R829-L938 HydrophobicContact CG-CD2 3.75Å; L832-L938 HydrophobicContact CD2-CD2 4.07Å; K934-L938 WeakPolarHBondContact O-CB 3.44Å; K934-L938 PolarHBondContact O-N 3.06Å; R935-L938 WeakPolarHBondContact O-CB 3.26Å; R935-L938 PolarHBondContact O-N 2.69Å; N936-L938 PolarHBondContact O-N 3.08Å; L938-Q941 PolarHBondContact O-N 3.3Å; L938-E942 WeakPolarHBondContact O-CB 3.45Å; L938-E942 PolarHBondContact O-N 2.8Å
939	I	95.3	Very high	94.7	Very high	66 Å²	66	73.5 Å²	73.5	34%	0.338	36%	0.362	S	S	.	.	H	α-helix	trans	-65.2	-42.7	175.1	-67.3	166.2	0	0	0	110.3	R935 N936 Q941 E942 T943	R935-I939 HydrophobicContact CG-CD1 4.28Å; R935-I939 WeakPolarHBondContact O-CG1 3.49Å; R935-I939 PolarHBondContact O-N 3.5Å; R935-I939 VanDerWaalsContact O-N 3.1Å; N936-I939 WeakPolarHBondContact O-CA 3.28Å; N936-I939 WeakPolarHBondContact O-CB 3.24Å; N936-I939 PolarHBondContact O-N 2.62Å; I939-Q941 VanDerWaalsContact C-N 3.32Å; I939-Q941 PolarHBondContact O-N 3.43Å; I939-E942 WeakPolarHBondContact O-CB 3.11Å; I939-E942 PolarHBondContact O-N 2.89Å; I939-E942 VanDerWaalsContact O-N 3.16Å; I939-T943 HydrophobicContact CG2-CG2 4.46Å; I939-T943 WeakPolarHBondContact O-CG2 3.47Å; I939-T943 PolarHBondContact O-N 3.31Å; I939-T943 PolarHBondContact O-OG1 2.97Å
940	D	94.4	Very high	94.8	Very high	103 Å²	103	70.8 Å²	70.8	55%	0.551	35%	0.35	S	S	*	.	H	α-helix	trans	-64.9	-37.8	176.8	-64.2	-25.8	0	0	0	111.7	N936 E942 T943 K944	N936-D940 PolarHBondContact O-N 2.79Å; D940-E942 VanDerWaalsContact C-N 3.34Å; D940-T943 WeakPolarHBondContact CA-OG1 3.42Å; D940-T943 PolarHBondContact O-OG1 3.33Å; D940-K944 VanDerWaalsContact O-CB 3.3Å; D940-K944 WeakPolarHBondContact O-CB 3.4Å; D940-K944 PolarHBondContact O-N 3.38Å
941	Q	95.6	Very high	95	Very high	84 Å²	84	72.7 Å²	72.7	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-41.5	172.6	-171.1	-177.5	56.7	0	0	111.7	F825 A937 L938 I939 R945	F825-Q941 HydrophobicContact CE1-CB 4.19Å; F825-Q941 HydrophobicContact CE1-CG 4.04Å; F825-Q941 HydrophobicContact CZ-CB 4.5Å; F825-Q941 HydrophobicContact CZ-CG 4.02Å; A937-Q941 WeakPolarHBondContact O-CB 3.44Å; A937-Q941 PolarHBondContact O-N 3.35Å; L938-Q941 PolarHBondContact O-N 3.3Å; I939-Q941 VanDerWaalsContact C-N 3.32Å; I939-Q941 PolarHBondContact O-N 3.43Å; Q941-R945 HydrophobicContact CG-CG 4.49Å; Q941-R945 WeakPolarHBondContact O-CB 3.47Å; Q941-R945 VanDerWaalsContact O-CG 3.25Å; Q941-R945 WeakPolarHBondContact O-CG 3.24Å; Q941-R945 PolarHBondContact O-N 3.39Å
942	E	94.7	Very high	95.1	Very high	23 Å²	23	77.2 Å²	77.2	11%	0.107	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-49.7	177.8	-179.1	174.1	-169	0	0	111.9	F825 R829 L938 I939 D940 K944 R945 L946	F825-E942 HydrophobicContact CB-CB 4.48Å; F825-E942 HydrophobicContact CB-CG 4.05Å; F825-E942 HydrophobicContact CD1-CB 3.66Å; F825-E942 HydrophobicContact CD1-CG 4.13Å; F825-E942 HydrophobicContact CD2-CB 4.03Å; F825-E942 HydrophobicContact CD2-CG 3.79Å; F825-E942 HydrophobicContact CE1-CB 3.78Å; F825-E942 HydrophobicContact CE2-CB 4.16Å; F825-E942 HydrophobicContact CE2-CG 4.29Å; F825-E942 HydrophobicContact CG-CB 3.8Å; F825-E942 HydrophobicContact CG-CG 3.72Å; F825-E942 VanDerWaalsContact CZ-CA 3.45Å; F825-E942 HydrophobicContact CZ-CB 4.05Å; R829-E942 IonicContact CZ-OE1 3.63Å; R829-E942 IonicContact CZ-OE2 2.63Å; R829-E942 IonicContact NH1-OE1 3.34Å; R829-E942 PolarHBondContact NH1-OE1 2.89Å; R829-E942 IonicContact NH1-OE2 3.51Å; R829-E942 PolarHBondContact NH1-OE2 2.82Å; L938-E942 WeakPolarHBondContact O-CB 3.45Å; L938-E942 PolarHBondContact O-N 2.8Å; I939-E942 WeakPolarHBondContact O-CB 3.11Å; I939-E942 PolarHBondContact O-N 2.89Å; I939-E942 VanDerWaalsContact O-N 3.16Å; D940-E942 VanDerWaalsContact C-N 3.34Å; E942-K944 PolarHBondContact O-N 3.01Å; E942-R945 PolarHBondContact O-N 3.39Å; E942-L946 HydrophobicContact CG-CD1 4.09Å; E942-L946 WeakPolarHBondContact O-CG 3.43Å; E942-L946 PolarHBondContact O-N 3.14Å
943	T	95.7	Very high	95.1	Very high	79 Å²	79	75.1 Å²	75.1	49%	0.485	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-45.5	180	56.1	0	0	0	0	111.3	I939 D940 L946 Q947	I939-T943 HydrophobicContact CG2-CG2 4.46Å; I939-T943 WeakPolarHBondContact O-CG2 3.47Å; I939-T943 PolarHBondContact O-N 3.31Å; I939-T943 PolarHBondContact O-OG1 2.97Å; D940-T943 WeakPolarHBondContact CA-OG1 3.42Å; D940-T943 PolarHBondContact O-OG1 3.33Å; T943-L946 PolarHBondContact O-N 3.28Å; T943-Q947 WeakPolarHBondContact O-CB 3.47Å; T943-Q947 PolarHBondContact O-N 3.19Å
944	K	96.7	Very high	95.2	Very high	123 Å²	123	75.4 Å²	75.4	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-45.4	177.8	-172.8	175.5	-179.8	176.1	0	112.2	D940 E942 L946 Q947 E948	D940-K944 VanDerWaalsContact O-CB 3.3Å; D940-K944 WeakPolarHBondContact O-CB 3.4Å; D940-K944 PolarHBondContact O-N 3.38Å; E942-K944 PolarHBondContact O-N 3.01Å; K944-L946 PolarHBondContact O-N 3.18Å; K944-Q947 PolarHBondContact O-N 3.17Å; K944-E948 VanDerWaalsContact CE-OE1 3.28Å; K944-E948 WeakPolarHBondContact CE-OE1 3.2Å; K944-E948 WeakPolarHBondContact O-CG 3.45Å; K944-E948 PolarHBondContact O-N 3.21Å
945	R	94.7	Very high	95.2	Very high	127 Å²	127	75.4 Å²	75.4	48%	0.479	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-39.3	178.6	-77.8	-69.8	-169.5	152.9	-0.4	112.6	F825 Q941 E942 L949	F825-R945 HydrophobicContact CE2-CB 3.99Å; F825-R945 HydrophobicContact CE2-CG 4.29Å; F825-R945 HydrophobicContact CZ-CB 4.14Å; F825-R945 HydrophobicContact CZ-CG 4.03Å; Q941-R945 HydrophobicContact CG-CG 4.49Å; Q941-R945 WeakPolarHBondContact O-CB 3.47Å; Q941-R945 VanDerWaalsContact O-CG 3.25Å; Q941-R945 WeakPolarHBondContact O-CG 3.24Å; Q941-R945 PolarHBondContact O-N 3.39Å; E942-R945 PolarHBondContact O-N 3.39Å; R945-L949 WeakPolarHBondContact O-CB 3.33Å; R945-L949 PolarHBondContact O-N 2.96Å
946	L	96.7	Very high	95.1	Very high	19 Å²	19	72.2 Å²	72.2	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-39.6	175.2	-69.6	172.3	0	0	0	111.6	R818 Q821 L822 E942 T943 K944 L949 D950	R818-L946 HydrophobicContact CG-CD2 4.01Å; Q821-L946 HydrophobicContact CB-CD2 4.15Å; L822-L946 HydrophobicContact CD2-CD1 3.84Å; L822-L946 HydrophobicContact CD2-CD2 4.41Å; L822-L946 HydrophobicContact CG-CD2 4.38Å; E942-L946 HydrophobicContact CG-CD1 4.09Å; E942-L946 WeakPolarHBondContact O-CG 3.43Å; E942-L946 PolarHBondContact O-N 3.14Å; T943-L946 PolarHBondContact O-N 3.28Å; K944-L946 PolarHBondContact O-N 3.18Å; L946-L949 WeakPolarHBondContact O-CB 3.45Å; L946-L949 PolarHBondContact O-N 3.34Å; L946-D950 WeakPolarHBondContact O-CB 3.19Å; L946-D950 VanDerWaalsContact O-CG 3.24Å; L946-D950 PolarHBondContact O-N 3.35Å
947	Q	96	Very high	95	Very high	101 Å²	101	70 Å²	70	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-44	175.9	-171.7	-177.9	7.2	0	0	112.1	T943 K944 L949 D950 N951	T943-Q947 WeakPolarHBondContact O-CB 3.47Å; T943-Q947 PolarHBondContact O-N 3.19Å; K944-Q947 PolarHBondContact O-N 3.17Å; Q947-L949 VanDerWaalsContact C-N 3.31Å; Q947-L949 PolarHBondContact O-N 3.13Å; Q947-D950 PolarHBondContact O-N 2.96Å; Q947-N951 WeakPolarHBondContact O-CB 3.48Å; Q947-N951 PolarHBondContact O-N 3.14Å; Q947-N951 PolarHBondContact O-ND2 3.38Å
948	E	96	Very high	94.8	Very high	79 Å²	79	73.1 Å²	73.1	37%	0.369	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-41.8	174.3	-74.6	169.8	-173.9	0	0	111.7	K944 N951 R952	K944-E948 VanDerWaalsContact CE-OE1 3.28Å; K944-E948 WeakPolarHBondContact CE-OE1 3.2Å; K944-E948 WeakPolarHBondContact O-CG 3.45Å; K944-E948 PolarHBondContact O-N 3.21Å; E948-N951 PolarHBondContact O-N 2.82Å; E948-R952 WeakPolarHBondContact O-CG 3.3Å; E948-R952 PolarHBondContact O-N 2.98Å
949	L	94.8	Very high	94.6	Very high	7 Å²	7	76.8 Å²	76.8	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-47.9	175.3	177.8	66.2	0	0	0	112	D817 R818 Q821 R945 L946 Q947 N951 R952 H953	D817-L949 HydrophobicContact CB-CD1 4.23Å; D817-L949 HydrophobicContact CB-CD2 4.44Å; D817-L949 WeakPolarHBondContact OD2-CD1 3.41Å; R818-L949 VanDerWaalsContact CA-CD2 3.49Å; R818-L949 HydrophobicContact CB-CD2 3.88Å; R818-L949 HydrophobicContact CG-CD2 4.43Å; Q821-L949 HydrophobicContact CG-CD2 4.28Å; R945-L949 WeakPolarHBondContact O-CB 3.33Å; R945-L949 PolarHBondContact O-N 2.96Å; L946-L949 WeakPolarHBondContact O-CB 3.45Å; L946-L949 PolarHBondContact O-N 3.34Å; Q947-L949 VanDerWaalsContact C-N 3.31Å; Q947-L949 PolarHBondContact O-N 3.13Å; L949-N951 VanDerWaalsContact C-N 3.32Å; L949-N951 PolarHBondContact O-N 2.98Å; L949-R952 PolarHBondContact O-N 3.21Å; L949-H953 PolarHBondContact O-N 2.96Å
950	D	95.9	Very high	94.1	Very high	38 Å²	38	77.9 Å²	77.9	20%	0.203	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-40.1	178.3	-70	-14.3	0	0	0	111	H814 R818 L946 Q947 H953 Q954	H814-D950 IonicContact CE1-OD1 2.85Å; H814-D950 PolarHBondContact CE1-OD1 3.12Å; H814-D950 IonicContact NE2-OD1 2.86Å; H814-D950 PolarHBondContact NE2-OD1 3.35Å; R818-D950 IonicContact CZ-OD2 2.71Å; R818-D950 IonicContact NH1-OD1 3.6Å; R818-D950 PolarHBondContact NH1-OD1 3.37Å; R818-D950 IonicContact NH1-OD2 3.96Å; R818-D950 PolarHBondContact NH1-OD2 2.83Å; L946-D950 WeakPolarHBondContact O-CB 3.19Å; L946-D950 VanDerWaalsContact O-CG 3.24Å; L946-D950 PolarHBondContact O-N 3.35Å; Q947-D950 PolarHBondContact O-N 2.96Å; D950-H953 PolarHBondContact O-N 3.25Å; D950-Q954 VanDerWaalsContact O-CG 3.3Å; D950-Q954 WeakPolarHBondContact O-CG 3.2Å; D950-Q954 PolarHBondContact O-N 3.42Å
951	N	96.6	Very high	93.7	Very high	81 Å²	81	76.4 Å²	76.4	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.5	-73.3	-18.4	0	0	0	112.5	Q947 E948 L949 H953 Q954 N955	Q947-N951 WeakPolarHBondContact O-CB 3.48Å; Q947-N951 PolarHBondContact O-N 3.14Å; Q947-N951 PolarHBondContact O-ND2 3.38Å; E948-N951 PolarHBondContact O-N 2.82Å; L949-N951 VanDerWaalsContact C-N 3.32Å; L949-N951 PolarHBondContact O-N 2.98Å; N951-H953 VanDerWaalsContact C-N 3.35Å; N951-Q954 PolarHBondContact O-N 3.39Å; N951-N955 WeakPolarHBondContact O-CB 3.46Å; N951-N955 PolarHBondContact O-N 2.91Å
952	R	94.1	Very high	93.4	Very high	133 Å²	133	78.4 Å²	78.4	50%	0.502	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-47.2	174.4	-76.8	-170.2	-62	137	0.6	110.8	D817 E948 L949 Q954 N955 E956	D817-R952 IonicContact OD2-NH2 3.46Å; E948-R952 WeakPolarHBondContact O-CG 3.3Å; E948-R952 PolarHBondContact O-N 2.98Å; L949-R952 PolarHBondContact O-N 3.21Å; R952-Q954 PolarHBondContact O-N 3.5Å; R952-N955 PolarHBondContact O-N 2.88Å; R952-E956 WeakPolarHBondContact O-CG 3.21Å; R952-E956 PolarHBondContact O-N 2.91Å
953	H	95	Very high	93.2	Very high	29 Å²	29	78.9 Å²	78.9	13%	0.134	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-47.9	176.1	175.9	57.5	0	0	0	111.8	H814 L949 D950 N951 N955 E956 M957	H814-H953 HydrophobicContact CB-CB 4.24Å; H814-H953 WeakPolarHBondContact CB-ND1 3.44Å; H814-H953 AromaticContact CD2-CD2 3.37Å; H814-H953 PolarHBondContact CD2-CD2 3.4Å; H814-H953 AromaticContact CD2-CG 3.68Å; H814-H953 AromaticContact CD2-NE2 3.78Å; H814-H953 AromaticContact CG-CD2 3.58Å; H814-H953 AromaticContact CG-CG 3.38Å; H814-H953 AromaticContact CG-ND1 3.74Å; H814-H953 WeakPolarHBondContact ND1-CB 3.35Å; H814-H953 AromaticContact ND1-CG 3.66Å; H814-H953 AromaticContact NE2-CD2 3.77Å; L949-H953 PolarHBondContact O-N 2.96Å; D950-H953 PolarHBondContact O-N 3.25Å; N951-H953 VanDerWaalsContact C-N 3.35Å; H953-N955 VanDerWaalsContact C-N 3.26Å; H953-N955 PolarHBondContact O-N 2.96Å; H953-E956 PolarHBondContact O-N 3.5Å; H953-M957 WeakPolarHBondContact CE1-CG 3.24Å; H953-M957 PolarHBondContact CE1-SD 2.91Å; H953-M957 WeakPolarHBondContact O-CB 3.34Å; H953-M957 WeakPolarHBondContact O-CG 3.41Å; H953-M957 PolarHBondContact O-N 3.36Å
954	Q	94.6	Very high	92.9	Very high	111 Å²	111	76.1 Å²	76.1	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-57.9	-38.6	176.6	-74.4	176.4	18.7	0	0	112.6	D950 N951 R952 R958	D950-Q954 VanDerWaalsContact O-CG 3.3Å; D950-Q954 WeakPolarHBondContact O-CG 3.2Å; D950-Q954 PolarHBondContact O-N 3.42Å; N951-Q954 PolarHBondContact O-N 3.39Å; R952-Q954 PolarHBondContact O-N 3.5Å; Q954-R958 WeakPolarHBondContact O-CB 3.34Å; Q954-R958 PolarHBondContact O-N 2.94Å
955	N	94.1	Very high	92.6	Very high	73 Å²	73	74.1 Å²	74.1	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-44.4	176.8	-173	62.3	0	0	0	112.4	N951 R952 H953 R958 I959	N951-N955 WeakPolarHBondContact O-CB 3.46Å; N951-N955 PolarHBondContact O-N 2.91Å; R952-N955 PolarHBondContact O-N 2.88Å; H953-N955 VanDerWaalsContact C-N 3.26Å; H953-N955 PolarHBondContact O-N 2.96Å; N955-R958 WeakPolarHBondContact O-CB 3.41Å; N955-R958 PolarHBondContact O-N 3.13Å; N955-R958 PolarHBondContact OD1-NH1 3.38Å; N955-I959 WeakPolarHBondContact O-CG1 3.28Å; N955-I959 PolarHBondContact O-N 3.04Å
956	E	92.1	Very high	92.3	Very high	80 Å²	80	74.8 Å²	74.8	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-48.9	173.4	-71.1	173.3	-175.9	0	0	110.4	L810 R952 H953 R958 I959 Y960	L810-E956 WeakPolarHBondContact CD1-OE2 3.37Å; L810-E956 HydrophobicContact CD2-CB 4.23Å; R952-E956 WeakPolarHBondContact O-CG 3.21Å; R952-E956 PolarHBondContact O-N 2.91Å; H953-E956 PolarHBondContact O-N 3.5Å; E956-R958 VanDerWaalsContact C-N 3.27Å; E956-R958 PolarHBondContact O-N 2.82Å; E956-I959 PolarHBondContact O-N 3.16Å; E956-I959 VanDerWaalsContact O-N 3.15Å; E956-Y960 VanDerWaalsContact O-CD2 3.28Å; E956-Y960 WeakPolarHBondContact O-CD2 3.49Å; E956-Y960 PolarHBondContact O-N 3.44Å
957	M	92.1	Very high	92	Very high	34 Å²	34	76 Å²	76	17%	0.167	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-37	177.4	-66.7	-60.3	-72.5	0	0	112.5	H807 L810 H953 S961	H807-M957 WeakPolarHBondContact CD2-CE 3.35Å; H807-M957 VanDerWaalsContact CE1-CE 3.41Å; H807-M957 WeakPolarHBondContact CE1-CE 3.31Å; H807-M957 WeakPolarHBondContact NE2-CE 3.48Å; L810-M957 HydrophobicContact CB-SD 4.32Å; L810-M957 HydrophobicContact CD2-CG 4.49Å; L810-M957 HydrophobicContact CD2-SD 3.49Å; L810-M957 WeakPolarHBondContact CD2-SD 3.46Å; L810-M957 HydrophobicContact CG-SD 3.88Å; H953-M957 WeakPolarHBondContact CE1-CG 3.24Å; H953-M957 PolarHBondContact CE1-SD 2.91Å; H953-M957 WeakPolarHBondContact O-CB 3.34Å; H953-M957 WeakPolarHBondContact O-CG 3.41Å; H953-M957 PolarHBondContact O-N 3.36Å; M957-S961 VanDerWaalsContact O-CB 3.26Å; M957-S961 WeakPolarHBondContact O-CB 3.29Å; M957-S961 PolarHBondContact O-N 2.99Å
958	R	91.8	Very high	91.8	Very high	126 Å²	126	73.4 Å²	73.4	48%	0.475	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-51.3	174	-173.4	-170.8	-57.9	121.4	1	111.4	Q954 N955 E956 Y960 S961 E962	Q954-R958 WeakPolarHBondContact O-CB 3.34Å; Q954-R958 PolarHBondContact O-N 2.94Å; N955-R958 WeakPolarHBondContact O-CB 3.41Å; N955-R958 PolarHBondContact O-N 3.13Å; N955-R958 PolarHBondContact OD1-NH1 3.38Å; E956-R958 VanDerWaalsContact C-N 3.27Å; E956-R958 PolarHBondContact O-N 2.82Å; R958-Y960 VanDerWaalsContact C-N 3.29Å; R958-Y960 PolarHBondContact O-N 3.25Å; R958-S961 WeakPolarHBondContact O-CB 3.37Å; R958-S961 PolarHBondContact O-N 3.28Å; R958-S961 VanDerWaalsContact O-N 3.11Å; R958-E962 WeakPolarHBondContact O-CG 3.44Å; R958-E962 PolarHBondContact O-N 3.42Å
959	I	88.8	Confident	91.6	Very high	96 Å²	96	72.5 Å²	72.5	49%	0.492	36%	0.357	S	S	.	.	H	α-helix	trans	-58.8	-43.6	178.8	-66.2	166.4	0	0	0	110.4	N955 E956 E962 S963	N955-I959 WeakPolarHBondContact O-CG1 3.28Å; N955-I959 PolarHBondContact O-N 3.04Å; E956-I959 PolarHBondContact O-N 3.16Å; E956-I959 VanDerWaalsContact O-N 3.15Å; I959-E962 PolarHBondContact O-N 3.23Å; I959-S963 PolarHBondContact O-N 2.82Å; I959-S963 VanDerWaalsContact O-N 3.08Å
960	Y	85.4	Confident	91.5	Very high	89 Å²	89	75.2 Å²	75.2	35%	0.349	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-38.8	175.7	-87.7	-81.2	0	0	0	112.6	W803 L810 E956 R958 E962 S963	W803-Y960 PolarHBondContact NE1-O 3.22Å; L810-Y960 HydrophobicContact CD2-CD2 3.39Å; L810-Y960 HydrophobicContact CD2-CE2 3.65Å; L810-Y960 HydrophobicContact CD2-CG 4.08Å; E956-Y960 VanDerWaalsContact O-CD2 3.28Å; E956-Y960 WeakPolarHBondContact O-CD2 3.49Å; E956-Y960 PolarHBondContact O-N 3.44Å; R958-Y960 VanDerWaalsContact C-N 3.29Å; R958-Y960 PolarHBondContact O-N 3.25Å; Y960-E962 VanDerWaalsContact C-N 3.28Å; Y960-E962 PolarHBondContact O-N 2.91Å; Y960-S963 PolarHBondContact O-N 3.34Å; Y960-S963 PolarHBondContact O-OG 2.89Å
961	S	86.7	Confident	91.3	Very high	73 Å²	73	74.7 Å²	74.7	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-31.5	176.1	-172.8	0	0	0	0	112.7	M957 R958 P965	M957-S961 VanDerWaalsContact O-CB 3.26Å; M957-S961 WeakPolarHBondContact O-CB 3.29Å; M957-S961 PolarHBondContact O-N 2.99Å; R958-S961 WeakPolarHBondContact O-CB 3.37Å; R958-S961 PolarHBondContact O-N 3.28Å; R958-S961 VanDerWaalsContact O-N 3.11Å; S961-P965 WeakPolarHBondContact O-CD 3.29Å
962	E	89.5	Confident	91.1	Very high	126 Å²	126	77.1 Å²	77.1	59%	0.589	38%	0.375	S	S	*	.	H	α-helix	trans	-82.8	-23	178.4	-70.2	173.6	-170.4	0	0	113	R958 I959 Y960	R958-E962 WeakPolarHBondContact O-CG 3.44Å; R958-E962 PolarHBondContact O-N 3.42Å; I959-E962 PolarHBondContact O-N 3.23Å; Y960-E962 VanDerWaalsContact C-N 3.28Å; Y960-E962 PolarHBondContact O-N 2.91Å
963	S	89.5	Confident	91	Very high	32 Å²	32	76.1 Å²	76.1	22%	0.224	38%	0.376	C	S	.	.	H	α-helix	trans	-72.4	-42.7	-175.3	73.3	0	0	0	0	113.4	I959 Y960 R966 I967	I959-S963 PolarHBondContact O-N 2.82Å; I959-S963 VanDerWaalsContact O-N 3.08Å; Y960-S963 PolarHBondContact O-N 3.34Å; Y960-S963 PolarHBondContact O-OG 2.89Å; S963-R966 WeakPolarHBondContact O-CB 3.47Å; S963-R966 PolarHBondContact O-N 2.99Å; S963-I967 WeakPolarHBondContact O-CG1 3.46Å; S963-I967 PolarHBondContact O-N 2.99Å
964	L	89.2	Confident	90.7	Very high	21 Å²	21	78.7 Å²	78.7	11%	0.11	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-47	-175.9	-179.9	66.7	0	0	0	113.4	E799 W803 R966 I967 K968	E799-L964 HydrophobicContact CG-CD1 4.28Å; W803-L964 HydrophobicContact CB-CD1 3.99Å; W803-L964 HydrophobicContact CB-CD2 4.18Å; W803-L964 HydrophobicContact CD2-CB 4.2Å; W803-L964 HydrophobicContact CD2-CD2 3.76Å; W803-L964 HydrophobicContact CD2-CG 4.48Å; W803-L964 HydrophobicContact CE3-CD2 3.97Å; W803-L964 HydrophobicContact CG-CB 3.95Å; W803-L964 HydrophobicContact CG-CD1 4.12Å; W803-L964 HydrophobicContact CG-CD2 3.85Å; W803-L964 HydrophobicContact CG-CG 4.18Å; L964-R966 VanDerWaalsContact C-N 3.26Å; L964-R966 PolarHBondContact O-N 3.15Å; L964-I967 PolarHBondContact O-N 3.21Å; L964-K968 HydrophobicContact CD1-CD 4.33Å; L964-K968 HydrophobicContact CD1-CG 4.18Å; L964-K968 HydrophobicContact CG-CD 4.26Å; L964-K968 HydrophobicContact CG-CG 4.45Å; L964-K968 WeakPolarHBondContact O-CB 3.45Å; L964-K968 WeakPolarHBondContact O-CG 3.48Å; L964-K968 PolarHBondContact O-N 3.45Å
965	P	90.4	Very high	90.6	Very high	82 Å²	82	74 Å²	74	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-57.4	-39.9	174.7	-25.5	35.1	0	0	0	112.7	S961 K968 A969	S961-P965 WeakPolarHBondContact O-CD 3.29Å; P965-K968 PolarHBondContact O-N 3.13Å; P965-A969 WeakPolarHBondContact O-CB 3.39Å; P965-A969 PolarHBondContact O-N 3.29Å
966	R	89.9	Confident	90.3	Very high	140 Å²	140	72.9 Å²	72.9	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-45.6	178.5	-173.7	-179.8	178.3	-152.6	-1.1	111.6	S963 L964 A969 L970	S963-R966 WeakPolarHBondContact O-CB 3.47Å; S963-R966 PolarHBondContact O-N 2.99Å; L964-R966 VanDerWaalsContact C-N 3.26Å; L964-R966 PolarHBondContact O-N 3.15Å; R966-A969 PolarHBondContact O-N 3.48Å; R966-L970 WeakPolarHBondContact O-CG 3.27Å; R966-L970 PolarHBondContact O-N 3.2Å
967	I	89.7	Confident	90	Very high	44 Å²	44	73.6 Å²	73.6	23%	0.226	37%	0.37	C	S	.	.	H	α-helix	trans	-62.3	-47.7	176.4	-66.2	165.8	0	0	0	110.2	E799 S963 L964 A969 L970 M971	E799-I967 HydrophobicContact CG-CG2 3.81Å; S963-I967 WeakPolarHBondContact O-CG1 3.46Å; S963-I967 PolarHBondContact O-N 2.99Å; L964-I967 PolarHBondContact O-N 3.21Å; I967-A969 VanDerWaalsContact C-N 3.28Å; I967-A969 PolarHBondContact O-N 3.26Å; I967-L970 PolarHBondContact O-N 2.96Å; I967-M971 HydrophobicContact CG2-CG 4.31Å; I967-M971 HydrophobicContact CG2-SD 3.95Å; I967-M971 WeakPolarHBondContact O-CG 3.42Å; I967-M971 PolarHBondContact O-N 3.29Å
968	K	91.6	Very high	89.5	Confident	48 Å²	48	75 Å²	75	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-37.7	176.9	-75.1	-174.2	170.9	-174.8	0	112.5	L796 E800 L964 P965 K972	L796-K968 HydrophobicContact CD2-CB 4.32Å; L796-K968 HydrophobicContact CD2-CG 4.05Å; E800-K968 IonicContact OE2-NZ 3.29Å; E800-K968 PolarHBondContact OE2-NZ 3.05Å; L964-K968 HydrophobicContact CD1-CD 4.33Å; L964-K968 HydrophobicContact CD1-CG 4.18Å; L964-K968 HydrophobicContact CG-CD 4.26Å; L964-K968 HydrophobicContact CG-CG 4.45Å; L964-K968 WeakPolarHBondContact O-CB 3.45Å; L964-K968 WeakPolarHBondContact O-CG 3.48Å; L964-K968 PolarHBondContact O-N 3.45Å; P965-K968 PolarHBondContact O-N 3.13Å; K968-K972 WeakPolarHBondContact O-CB 3.09Å; K968-K972 VanDerWaalsContact O-CG 3.28Å; K968-K972 WeakPolarHBondContact O-CG 3.31Å; K968-K972 PolarHBondContact O-N 2.86Å
969	A	92.1	Very high	89.1	Confident	59 Å²	59	71.9 Å²	71.9	49%	0.488	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-45.9	175.8	0	0	0	0	0	111.8	P965 R966 I967 K972 E973	P965-A969 WeakPolarHBondContact O-CB 3.39Å; P965-A969 PolarHBondContact O-N 3.29Å; R966-A969 PolarHBondContact O-N 3.48Å; I967-A969 VanDerWaalsContact C-N 3.28Å; I967-A969 PolarHBondContact O-N 3.26Å; A969-K972 PolarHBondContact O-N 3.49Å; A969-E973 PolarHBondContact O-N 3.03Å
970	L	93	Very high	88.8	Confident	64 Å²	64	74.7 Å²	74.7	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-42.2	176.5	-70.3	171.3	0	0	0	112.2	R966 I967 K972 E973 Q974	R966-L970 WeakPolarHBondContact O-CG 3.27Å; R966-L970 PolarHBondContact O-N 3.2Å; I967-L970 PolarHBondContact O-N 2.96Å; L970-K972 PolarHBondContact O-N 3.48Å; L970-E973 PolarHBondContact O-N 3.35Å; L970-Q974 WeakPolarHBondContact O-CG 3.47Å; L970-Q974 PolarHBondContact O-N 3.08Å
971	M	91.9	Very high	88.4	Confident	28 Å²	28	75.7 Å²	75.7	14%	0.138	38%	0.381	C	S	.	.	H	α-helix	trans	-62.4	-43.6	176	-68.8	177.2	91.3	0	0	111.4	R795 L796 E799 I967 E973 Q974 F975	R795-M971 HydrophobicContact CB-CE 3.91Å; L796-M971 HydrophobicContact CD2-CB 4.11Å; L796-M971 HydrophobicContact CD2-SD 4.14Å; E799-M971 HydrophobicContact CB-SD 4.22Å; E799-M971 HydrophobicContact CG-SD 4.27Å; I967-M971 HydrophobicContact CG2-CG 4.31Å; I967-M971 HydrophobicContact CG2-SD 3.95Å; I967-M971 WeakPolarHBondContact O-CG 3.42Å; I967-M971 PolarHBondContact O-N 3.29Å; M971-E973 VanDerWaalsContact C-N 3.3Å; M971-E973 PolarHBondContact O-N 2.75Å; M971-Q974 PolarHBondContact O-N 3.19Å; M971-F975 HydrophobicContact CB-CE2 4.06Å; M971-F975 HydrophobicContact CB-CZ 3.98Å; M971-F975 HydrophobicContact CE-CZ 4.08Å; M971-F975 WeakPolarHBondContact O-CB 3.49Å; M971-F975 VanDerWaalsContact O-CD1 3.29Å; M971-F975 WeakPolarHBondContact O-CD1 3.22Å; M971-F975 VanDerWaalsContact O-CD2 3.26Å; M971-F975 WeakPolarHBondContact O-CD2 3.38Å; M971-F975 WeakPolarHBondContact O-CG 3.23Å; M971-F975 PolarHBondContact O-N 3.28Å
972	K	91.9	Very high	87.7	Confident	132 Å²	132	73.9 Å²	73.9	57%	0.574	37%	0.366	S	S	*	.	H	α-helix	trans	-61.3	-38.2	175.5	-75.2	174.9	-179.4	-177.3	0	112.4	K968 A969 L970 F975 A976	K968-K972 WeakPolarHBondContact O-CB 3.09Å; K968-K972 VanDerWaalsContact O-CG 3.28Å; K968-K972 WeakPolarHBondContact O-CG 3.31Å; K968-K972 PolarHBondContact O-N 2.86Å; A969-K972 PolarHBondContact O-N 3.49Å; L970-K972 PolarHBondContact O-N 3.48Å; K972-F975 PolarHBondContact O-N 3.03Å; K972-A976 WeakPolarHBondContact O-CB 3.48Å; K972-A976 PolarHBondContact O-N 3.45Å
973	E	91.6	Very high	86.8	Confident	112 Å²	112	71.7 Å²	71.7	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-45.3	174.8	-172.4	-179.7	178	0	0	111.6	A969 L970 M971 F975 A976 Q977	A969-E973 PolarHBondContact O-N 3.03Å; L970-E973 PolarHBondContact O-N 3.35Å; M971-E973 VanDerWaalsContact C-N 3.3Å; M971-E973 PolarHBondContact O-N 2.75Å; E973-F975 VanDerWaalsContact C-N 3.34Å; E973-F975 PolarHBondContact O-N 3.35Å; E973-A976 WeakPolarHBondContact O-CB 3.35Å; E973-A976 PolarHBondContact O-N 3.37Å; E973-Q977 WeakPolarHBondContact O-CG 3.35Å; E973-Q977 PolarHBondContact O-N 3.29Å
974	Q	89.1	Confident	85.8	Confident	82 Å²	82	76.4 Å²	76.4	38%	0.383	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-44.2	175	-73.3	177.4	-14.1	0	0	111.7	L970 M971 A976 Q977 E978	L970-Q974 WeakPolarHBondContact O-CG 3.47Å; L970-Q974 PolarHBondContact O-N 3.08Å; M971-Q974 PolarHBondContact O-N 3.19Å; Q974-A976 VanDerWaalsContact C-N 3.32Å; Q974-A976 PolarHBondContact O-N 2.97Å; Q974-Q977 WeakPolarHBondContact O-CA 3.41Å; Q974-Q977 WeakPolarHBondContact O-CB 3.35Å; Q974-Q977 PolarHBondContact O-N 2.93Å; Q974-Q977 VanDerWaalsContact O-N 3.07Å; Q974-E978 PolarHBondContact O-N 3.14Å
975	F	91.4	Very high	84.5	Confident	13 Å²	13	80.7 Å²	80.7	6%	0.057	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-41.3	176.5	-62.1	-16.5	0	0	0	111.8	H792 R795 L796 M971 K972 E973 Q977 E978 Y979	H792-F975 HydrophobicContact CB-CD1 4.38Å; H792-F975 HydrophobicContact CB-CD2 3.59Å; H792-F975 HydrophobicContact CB-CE1 4.48Å; H792-F975 HydrophobicContact CB-CE2 3.67Å; H792-F975 HydrophobicContact CB-CG 3.96Å; H792-F975 HydrophobicContact CB-CZ 4.13Å; H792-F975 AromaticContact CD2-CD1 3.37Å; H792-F975 WeakPolarHBondContact CD2-CD1 3.47Å; H792-F975 AromaticContact CD2-CE1 3.68Å; H792-F975 AromaticContact CD2-CG 3.65Å; H792-F975 AromaticContact CE1-CD1 3.99Å; H792-F975 AromaticContact CE1-CG 3.82Å; H792-F975 AromaticContact CG-CD1 3.73Å; H792-F975 AromaticContact CG-CD2 3.68Å; H792-F975 AromaticContact CG-CG 3.48Å; H792-F975 VanDerWaalsContact CG-CG 3.48Å; H792-F975 WeakPolarHBondContact ND1-CB 3.48Å; H792-F975 AromaticContact ND1-CG 3.61Å; H792-F975 AromaticContact NE2-CD1 3.55Å; H792-F975 AromaticContact NE2-CG 3.85Å; R795-F975 HydrophobicContact CB-CZ 3.96Å; L796-F975 HydrophobicContact CD1-CE2 4.11Å; L796-F975 HydrophobicContact CD2-CE2 4.25Å; L796-F975 HydrophobicContact CG-CE2 3.88Å; M971-F975 HydrophobicContact CB-CE2 4.06Å; M971-F975 HydrophobicContact CB-CZ 3.98Å; M971-F975 HydrophobicContact CE-CZ 4.08Å; M971-F975 WeakPolarHBondContact O-CB 3.49Å; M971-F975 VanDerWaalsContact O-CD1 3.29Å; M971-F975 WeakPolarHBondContact O-CD1 3.22Å; M971-F975 VanDerWaalsContact O-CD2 3.26Å; M971-F975 WeakPolarHBondContact O-CD2 3.38Å; M971-F975 WeakPolarHBondContact O-CG 3.23Å; M971-F975 PolarHBondContact O-N 3.28Å; K972-F975 PolarHBondContact O-N 3.03Å; E973-F975 VanDerWaalsContact C-N 3.34Å; E973-F975 PolarHBondContact O-N 3.35Å; F975-Q977 VanDerWaalsContact C-N 3.25Å; F975-Q977 PolarHBondContact O-N 3.04Å; F975-E978 PolarHBondContact O-N 3.26Å; F975-Y979 WeakPolarHBondContact O-CD2 3.31Å; F975-Y979 PolarHBondContact O-N 2.83Å
976	A	88.5	Confident	83.1	Confident	49 Å²	49	78 Å²	78	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-31.8	174.6	0	0	0	0	0	112.6	K972 E973 Q974 K980	K972-A976 WeakPolarHBondContact O-CB 3.48Å; K972-A976 PolarHBondContact O-N 3.45Å; E973-A976 WeakPolarHBondContact O-CB 3.35Å; E973-A976 PolarHBondContact O-N 3.37Å; Q974-A976 VanDerWaalsContact C-N 3.32Å; Q974-A976 PolarHBondContact O-N 2.97Å; A976-K980 WeakPolarHBondContact O-CG 3.39Å; A976-K980 PolarHBondContact O-N 3.41Å
977	Q	85.8	Confident	81.3	Confident	96 Å²	96	77.3 Å²	77.3	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-71.7	-45.3	173	-66.9	175	14.5	0	0	111.6	E973 Q974 F975 Y979 K980 E981	E973-Q977 WeakPolarHBondContact O-CG 3.35Å; E973-Q977 PolarHBondContact O-N 3.29Å; Q974-Q977 WeakPolarHBondContact O-CA 3.41Å; Q974-Q977 WeakPolarHBondContact O-CB 3.35Å; Q974-Q977 PolarHBondContact O-N 2.93Å; Q974-Q977 VanDerWaalsContact O-N 3.07Å; F975-Q977 VanDerWaalsContact C-N 3.25Å; F975-Q977 PolarHBondContact O-N 3.04Å; Q977-Y979 VanDerWaalsContact C-N 3.29Å; Q977-Y979 PolarHBondContact O-N 3.24Å; Q977-K980 WeakPolarHBondContact O-CB 3.17Å; Q977-K980 PolarHBondContact O-N 3.13Å; Q977-E981 PolarHBondContact O-N 3.05Å
978	E	82.4	Confident	79.5	Confident	62 Å²	62	78.1 Å²	78.1	29%	0.29	39%	0.387	S	S	.	.	H	α-helix	trans	-56	-43.9	174.8	-71.5	-178.2	-178.8	0	0	111.1	H792 R795 Q974 F975 K980 E981 D982	H792-E978 IonicContact CD2-OE2 2.69Å; H792-E978 IonicContact CE1-OE2 3.63Å; H792-E978 IonicContact NE2-OE2 3.99Å; H792-E978 PolarHBondContact NE2-OE2 3.5Å; R795-E978 IonicContact NH1-OE1 3.32Å; R795-E978 PolarHBondContact NH1-OE1 3.45Å; R795-E978 IonicContact NH1-OE2 3.62Å; Q974-E978 PolarHBondContact O-N 3.14Å; F975-E978 PolarHBondContact O-N 3.26Å; E978-K980 VanDerWaalsContact C-N 3.35Å; E978-K980 PolarHBondContact O-N 2.92Å; E978-E981 PolarHBondContact O-N 3.34Å; E978-D982 WeakPolarHBondContact O-CB 3.11Å; E978-D982 PolarHBondContact O-N 3.01Å
979	Y	83.9	Confident	77.5	Confident	61 Å²	61	82.9 Å²	82.9	24%	0.239	41%	0.405	C	S	.	.	H	α-helix	trans	-58.4	-42.5	173.8	-88.2	-66	0	0	0	113.4	S785 L788 N789 H792 F975 Q977 S983	S785-Y979 PolarHBondContact O-OH 3.33Å; L788-Y979 HydrophobicContact CB-CE1 3.82Å; L788-Y979 WeakPolarHBondContact CB-OH 3.5Å; L788-Y979 HydrophobicContact CD1-CD1 3.99Å; L788-Y979 HydrophobicContact CD1-CE1 3.76Å; L788-Y979 HydrophobicContact CG-CE1 4.47Å; N789-Y979 WeakPolarHBondContact CA-OH 3.5Å; N789-Y979 PolarHBondContact N-OH 3.33Å; N789-Y979 PolarHBondContact ND2-OH 2.99Å; N789-Y979 PolarHBondContact OD1-OH 3.46Å; H792-Y979 AromaticContact CE1-CD2 3.97Å; H792-Y979 AromaticContact CE1-CE2 3.55Å; H792-Y979 AromaticContact ND1-CE2 3.37Å; H792-Y979 WeakPolarHBondContact ND1-CE2 3.13Å; F975-Y979 WeakPolarHBondContact O-CD2 3.31Å; F975-Y979 PolarHBondContact O-N 2.83Å; Q977-Y979 VanDerWaalsContact C-N 3.29Å; Q977-Y979 PolarHBondContact O-N 3.24Å; Y979-S983 WeakPolarHBondContact O-CB 3.14Å; Y979-S983 PolarHBondContact O-N 3.3Å
980	K	80.7	Confident	75.3	Confident	156 Å²	156	83 Å²	83	68%	0.678	40%	0.395	S	S	*	.	H	α-helix	trans	-67.6	-44.2	178.2	-74.2	174	-177.3	178	0	111.3	A976 Q977 E978 F984	A976-K980 WeakPolarHBondContact O-CG 3.39Å; A976-K980 PolarHBondContact O-N 3.41Å; Q977-K980 WeakPolarHBondContact O-CB 3.17Å; Q977-K980 PolarHBondContact O-N 3.13Å; E978-K980 VanDerWaalsContact C-N 3.35Å; E978-K980 PolarHBondContact O-N 2.92Å; K980-F984 WeakPolarHBondContact O-CB 3.44Å; K980-F984 PolarHBondContact O-N 3.42Å
981	E	77.4	Confident	72.5	Confident	110 Å²	110	84.9 Å²	84.9	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-44.3	178.4	-73	-170.7	-178.9	0	0	111.9	Q977 E978 F984 K985	Q977-E981 PolarHBondContact O-N 3.05Å; E978-E981 PolarHBondContact O-N 3.34Å; E981-F984 WeakPolarHBondContact O-CB 3.35Å; E981-F984 PolarHBondContact O-N 2.95Å; E981-K985 WeakPolarHBondContact O-CG 3.37Å; E981-K985 PolarHBondContact O-N 2.74Å
982	D	72.8	Confident	69.9	Low	35 Å²	35	93.1 Å²	93.1	19%	0.187	44%	0.436	C	S	.	.	H	α-helix	trans	-72.1	-36.9	179.6	-76.9	-10	0	0	0	111.6	H784 L788 E978 F984 K985 L986	H784-D982 IonicContact NE2-OD2 2.86Å; L788-D982 HydrophobicContact CD1-CB 4.47Å; E978-D982 WeakPolarHBondContact O-CB 3.11Å; E978-D982 PolarHBondContact O-N 3.01Å; D982-F984 VanDerWaalsContact C-N 3.26Å; D982-F984 PolarHBondContact O-N 3.18Å; D982-K985 PolarHBondContact O-N 3.08Å; D982-K985 IonicContact OD1-NZ 3.27Å; D982-K985 PolarHBondContact OD1-NZ 3.26Å; D982-L986 WeakPolarHBondContact O-CB 3.45Å; D982-L986 PolarHBondContact O-N 3.29Å
983	S	70.8	Confident	67.1	Low	79 Å²	79	94.9 Å²	94.9	55%	0.552	44%	0.439	S	S	*	.	H	α-helix	trans	-57.6	-40.5	168	-176.4	0	0	0	0	111.5	Y979 H987	Y979-S983 WeakPolarHBondContact O-CB 3.14Å; Y979-S983 PolarHBondContact O-N 3.3Å; S983-H987 WeakPolarHBondContact O-CB 3.45Å; S983-H987 PolarHBondContact O-N 2.63Å
984	F	67.3	Low	64	Low	132 Å²	132	92.2 Å²	92.2	58%	0.579	43%	0.433	S	S	*	.	H	α-helix	trans	-69.6	-44.2	178	-175.2	-101.8	0	0	0	112.5	K980 E981 D982 L986 H987 N988	K980-F984 WeakPolarHBondContact O-CB 3.44Å; K980-F984 PolarHBondContact O-N 3.42Å; E981-F984 WeakPolarHBondContact O-CB 3.35Å; E981-F984 PolarHBondContact O-N 2.95Å; D982-F984 VanDerWaalsContact C-N 3.26Å; D982-F984 PolarHBondContact O-N 3.18Å; F984-L986 VanDerWaalsContact C-N 3.27Å; F984-L986 PolarHBondContact O-N 2.88Å; F984-H987 PolarHBondContact O-N 2.85Å; F984-N988 WeakPolarHBondContact CE1-ND2 3.44Å; F984-N988 VanDerWaalsContact CZ-ND2 3.29Å; F984-N988 WeakPolarHBondContact CZ-ND2 3.39Å; F984-N988 PolarHBondContact O-N 3.26Å
985	K	63.4	Low	61.2	Low	111 Å²	111	98.2 Å²	98.2	48%	0.483	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-39.3	175.3	-71.8	171.4	-160.3	150.2	0	111.5	E981 D982 N988 Y989	E981-K985 WeakPolarHBondContact O-CG 3.37Å; E981-K985 PolarHBondContact O-N 2.74Å; D982-K985 PolarHBondContact O-N 3.08Å; D982-K985 IonicContact OD1-NZ 3.27Å; D982-K985 PolarHBondContact OD1-NZ 3.26Å; K985-N988 PolarHBondContact O-N 2.72Å; K985-Y989 PolarHBondContact O-N 3.2Å
986	L	59.4	Low	58.4	Low	26 Å²	26	102 Å²	102	14%	0.136	48%	0.481	C	S	.	.	H	α-helix	trans	-72.1	-39.6	179.2	-161.6	61.8	0	0	0	111.8	N781 D982 F984 N988 Y989 H990	N781-L986 HydrophobicContact CB-CD2 4.15Å; N781-L986 WeakPolarHBondContact OD1-CD2 3.36Å; D982-L986 WeakPolarHBondContact O-CB 3.45Å; D982-L986 PolarHBondContact O-N 3.29Å; F984-L986 VanDerWaalsContact C-N 3.27Å; F984-L986 PolarHBondContact O-N 2.88Å; L986-N988 VanDerWaalsContact C-N 3.34Å; L986-N988 PolarHBondContact O-N 2.85Å; L986-Y989 WeakPolarHBondContact O-CB 3.47Å; L986-Y989 PolarHBondContact O-N 2.87Å; L986-Y989 VanDerWaalsContact O-N 3.16Å; L986-H990 PolarHBondContact O-CD2 3.31Å; L986-H990 PolarHBondContact O-N 2.86Å; L986-H990 VanDerWaalsContact O-N 3.14Å
987	H	53.3	Low	55.9	Low	124 Å²	124	105.8 Å²	105.8	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-63.7	-38.5	173.1	-151.4	76.2	0	0	0	112.2	S983 F984 H990	S983-H987 WeakPolarHBondContact O-CB 3.45Å; S983-H987 PolarHBondContact O-N 2.63Å; F984-H987 PolarHBondContact O-N 2.85Å; H987-H990 WeakPolarHBondContact O-CB 3.33Å; H987-H990 PolarHBondContact O-N 2.95Å
988	N	51.7	Low	53.3	Low	61 Å²	61	110.4 Å²	110.4	33%	0.326	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-30	172.8	-78.9	-28.2	0	0	0	113.1	F984 K985 L986 H990 N991 Y992	F984-N988 WeakPolarHBondContact CE1-ND2 3.44Å; F984-N988 VanDerWaalsContact CZ-ND2 3.29Å; F984-N988 WeakPolarHBondContact CZ-ND2 3.39Å; F984-N988 PolarHBondContact O-N 3.26Å; K985-N988 PolarHBondContact O-N 2.72Å; L986-N988 VanDerWaalsContact C-N 3.34Å; L986-N988 PolarHBondContact O-N 2.85Å; N988-H990 VanDerWaalsContact C-N 3.29Å; N988-H990 PolarHBondContact O-N 3.01Å; N988-N991 PolarHBondContact O-N 3Å; N988-Y992 WeakPolarHBondContact O-CD2 3.38Å
989	Y	48.5	Very low	50.8	Low	149 Å²	149	112.6 Å²	112.6	58%	0.584	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-30.3	171.9	-116.3	-85.8	0	0	0	112.7	K985 L986 N991 Y992	K985-Y989 PolarHBondContact O-N 3.2Å; L986-Y989 WeakPolarHBondContact O-CB 3.47Å; L986-Y989 PolarHBondContact O-N 2.87Å; L986-Y989 VanDerWaalsContact O-N 3.16Å; Y989-N991 VanDerWaalsContact C-N 3.33Å; Y989-N991 PolarHBondContact O-N 3.3Å; Y989-Y992 PolarHBondContact O-N 2.9Å
990	H	45.9	Very low	48.2	Very low	60 Å²	60	119.3 Å²	119.3	28%	0.278	58%	0.576	S	S	.	*	H	α-helix	trans	-62.3	-39.3	173.1	-73.8	-51.5	0	0	0	112.2	N777 L986 H987 N988 Y992 R993 S994	N777-H990 VanDerWaalsContact CG-CE1 3.45Å; N777-H990 PolarHBondContact ND2-CE1 2.63Å; L986-H990 PolarHBondContact O-CD2 3.31Å; L986-H990 PolarHBondContact O-N 2.86Å; L986-H990 VanDerWaalsContact O-N 3.14Å; H987-H990 WeakPolarHBondContact O-CB 3.33Å; H987-H990 PolarHBondContact O-N 2.95Å; N988-H990 VanDerWaalsContact C-N 3.29Å; N988-H990 PolarHBondContact O-N 3.01Å; H990-Y992 VanDerWaalsContact C-N 3.3Å; H990-Y992 PolarHBondContact O-N 2.95Å; H990-R993 PolarHBondContact O-N 3.42Å; H990-S994 PolarHBondContact O-N 3.13Å; H990-S994 PolarHBondContact O-OG 3.37Å
991	N	34.5	Very low	45.8	Very low	105 Å²	105	117.5 Å²	117.5	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-70	-21.2	-178.6	-76.7	-27.2	0	0	0	114.3	N988 Y989	N988-N991 PolarHBondContact O-N 3Å; Y989-N991 VanDerWaalsContact C-N 3.33Å; Y989-N991 PolarHBondContact O-N 3.3Å
992	Y	38	Very low	43.5	Very low	201 Å²	201	116.7 Å²	116.7	79%	0.788	58%	0.575	S	S	*	*	H	α-helix	trans	-85.7	-13.2	179.1	-80.6	-71.2	0	0	0	114.4	N988 Y989 H990	N988-Y992 WeakPolarHBondContact O-CD2 3.38Å; Y989-Y992 PolarHBondContact O-N 2.9Å; H990-Y992 VanDerWaalsContact C-N 3.3Å; H990-Y992 PolarHBondContact O-N 2.95Å
993	R	32.2	Very low	41.4	Very low	169 Å²	169	126 Å²	126	64%	0.638	61%	0.607	S	S	*	*	H	α-helix	trans	-111.9	-21.9	179.1	-162.6	170.9	177	178.6	-1.1	113.9	H773 H990	H773-R993 PolarHBondContact CE1-NE 3.37Å; H773-R993 PolarHBondContact CE1-NH1 3.06Å; H773-R993 VanDerWaalsContact CE1-NH1 3.31Å; H773-R993 PolarHBondContact CE1-NH2 2.94Å; H773-R993 PolarHBondContact NE2-NH2 3.3Å; H773-R993 VanDerWaalsContact NE2-NH2 3.14Å; H990-R993 PolarHBondContact O-N 3.42Å
994	S	27.8	Very low	39.3	Very low	55 Å²	55	129.5 Å²	129.5	39%	0.385	62%	0.619	S	S	.	*	S	Bend	trans	-82.2	122.9	174	63.6	0	0	0	0	110.9	H990	H990-S994 PolarHBondContact O-N 3.13Å; H990-S994 PolarHBondContact O-OG 3.37Å
995	Y	30.5	Very low	37.5	Very low	208 Å²	208	128.4 Å²	128.4	82%	0.816	63%	0.625	S	S	*	*	S	Bend	trans	100.5	98.7	161.5	-60.6	-79.9	0	0	0	119.8
996	S	30.8	Very low	35.6	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	63%	0.634	S	S	*	*				118.2	112.3	126.8	-161	0	0	0	0	115.2	K998	S996-K998 PolarHBondContact O-N 3.37Å
997	P	37.8	Very low	34	Very low	130 Å²	130	132 Å²	132	84%	0.844	65%	0.653	S	S	*	*	S	Bend	trans	-75.9	27.7	-169	31.5	-35.1	0	0	0	115.1
998	K	29.8	Very low	32.9	Very low	193 Å²	193	133.5 Å²	133.5	84%	0.839	66%	0.662	S	S	*	*			trans	-141.3	60.4	-180	-64.7	-172.5	-178	176.7	0	112.9	S996	S996-K998 PolarHBondContact O-N 3.37Å
999	S	31.3	Very low	31.8	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	67%	0.671	S	S	*	*			trans	-162.9	88.3	154.3	57.5	0	0	0	0	111.1	K1001	S999-K1001 PolarHBondContact O-N 3.3Å
1000	H	28.3	Very low	30.8	Very low	201 Å²	201	131.5 Å²	131.5	93%	0.931	67%	0.671	S	S	*	*			trans	-71.7	105.3	158.5	-82.7	-71.9	0	0	0	108.9
1001	K	31.1	Very low	30.1	Very low	118 Å²	118	135 Å²	135	51%	0.513	69%	0.691	S	S	.	*			trans	-137.7	115.8	148.2	-85.6	-167.9	177.3	177.4	0	109.7	N730 T732 S999 R1003	N730-K1001 WeakPolarHBondContact OD1-CE 3.37Å; T732-K1001 PolarHBondContact OG1-NZ 3.47Å; S999-K1001 PolarHBondContact O-N 3.3Å; K1001-R1003 PolarHBondContact O-N 3.3Å
1002	S	29.2	Very low	30.1	Very low	94 Å²	94	134.4 Å²	134.4	66%	0.657	69%	0.691	S	S	*	*			trans	-6.2	100.4	156.4	56.6	0	0	0	0	116.2
1003	R	27.1	Very low	29.5	Very low	229 Å²	229	131.6 Å²	131.6	86%	0.864	69%	0.69	S	S	*	*			trans	-124.2	110.9	137.6	-128.4	175.1	-179.8	172.7	-0.8	105.1	K1001	K1001-R1003 PolarHBondContact O-N 3.3Å
1004	L	27.5	Very low	29.3	Very low	154 Å²	154	130 Å²	130	81%	0.806	69%	0.693	S	S	*	*			trans	-49.6	145.2	177	-76.1	163.2	0	0	0	109.3	I1006	L1004-I1006 PolarHBondContact O-N 3.38Å
1005	P	28.8	Very low	29.1	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	72%	0.716	S	S	*	*			trans	-57	116.8	179.2	24.5	-31.6	0	0	0	107.5	P1007	P1005-P1007 WeakPolarHBondContact O-CD 3.23Å; P1005-P1007 VanDerWaalsContact O-N 3.08Å
1006	I	24.5	Very low	29.3	Very low	131 Å²	131	138.4 Å²	138.4	67%	0.672	72%	0.716	S	S	*	*			trans	-62.9	112.1	162	-60.5	173.5	0	0	0	103.5	L1004 M1008	L1004-I1006 PolarHBondContact O-N 3.38Å; I1006-M1008 PolarHBondContact O-N 2.9Å
1007	P	25.7	Very low	28.9	Very low	82 Å²	82	136.4 Å²	136.4	53%	0.532	71%	0.709	S	S	.	*			trans	-60.6	142.2	177.5	-14.2	29.3	0	0	0	107.2	P1005 T1009 S1010	P1005-P1007 WeakPolarHBondContact O-CD 3.23Å; P1005-P1007 VanDerWaalsContact O-N 3.08Å; P1007-T1009 PolarHBondContact O-N 3.15Å; P1007-S1010 PolarHBondContact O-N 3Å
1008	M	29.5	Very low	28.4	Very low	155 Å²	155	134.1 Å²	134.1	76%	0.764	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	19.4	173.8	-95.4	-83.1	-80.1	0	0	114.2	I1006	I1006-M1008 PolarHBondContact O-N 2.9Å
1009	T	29.8	Very low	28.2	Very low	84 Å²	84	130.4 Å²	130.4	52%	0.515	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.5	-7.5	169.2	58	0	0	0	0	113.1	P1007 L1011 T1012	P1007-T1009 PolarHBondContact O-N 3.15Å; T1009-L1011 VanDerWaalsContact C-N 3.28Å; T1009-L1011 PolarHBondContact O-N 2.96Å; T1009-T1012 WeakPolarHBondContact CA-OG1 3.42Å; T1009-T1012 PolarHBondContact O-N 3.4Å; T1009-T1012 PolarHBondContact O-OG1 3.42Å
1010	S	26.9	Very low	28.2	Very low	84 Å²	84	129.7 Å²	129.7	59%	0.587	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-4.7	177.7	99.9	0	0	0	0	114.8	P1007	P1007-S1010 PolarHBondContact O-N 3Å
1011	L	30.5	Very low	28.3	Very low	133 Å²	133	126.4 Å²	126.4	70%	0.696	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-8.4	167.5	-78.7	165.1	0	0	0	112.7	T1009	T1009-L1011 VanDerWaalsContact C-N 3.28Å; T1009-L1011 PolarHBondContact O-N 2.96Å
1012	T	35.3	Very low	28.1	Very low	92 Å²	92	124.3 Å²	124.3	56%	0.564	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-4.2	178.9	53.5	0	0	0	0	114.1	T1009 L1014	T1009-T1012 WeakPolarHBondContact CA-OG1 3.42Å; T1009-T1012 PolarHBondContact O-N 3.4Å; T1009-T1012 PolarHBondContact O-OG1 3.42Å; T1012-L1014 PolarHBondContact O-N 3.49Å
1013	N	24.3	Very low	28	Very low	142 Å²	142	124.6 Å²	124.6	76%	0.759	66%	0.664	S	S	*	*			trans	-83	8.4	174.2	-86.1	-6.9	0	0	0	114.5	R1015	N1013-R1015 PolarHBondContact O-N 3.1Å
1014	L	28.2	Very low	28.4	Very low	135 Å²	135	118.5 Å²	118.5	71%	0.707	65%	0.652	S	S	*	*	S	Bend	trans	-72	73.6	145.9	-77.4	150.4	0	0	0	106.9	T1012 W1016	T1012-L1014 PolarHBondContact O-N 3.49Å; L1014-W1016 PolarHBondContact O-N 2.69Å
1015	R	24.8	Very low	28.5	Very low	228 Å²	228	120.5 Å²	120.5	86%	0.86	65%	0.654	S	S	*	*			trans	-49	110.7	159.7	-179.9	177.7	-179.2	-170.1	-0	104.7	N1013 G1017	N1013-R1015 PolarHBondContact O-N 3.1Å; R1015-G1017 PolarHBondContact O-N 2.95Å
1016	W	33.9	Very low	28.6	Very low	213 Å²	213	119.4 Å²	119.4	81%	0.807	64%	0.642	S	S	*	*			trans	-63.3	58.7	170.3	-65.7	90.7	0	0	0	109.2	L1014 L1019	L1014-W1016 PolarHBondContact O-N 2.69Å; W1016-L1019 HydrophobicContact CE3-CD1 3.83Å; W1016-L1019 HydrophobicContact CZ3-CD1 3.94Å
1017	G	22.6	Very low	28.8	Very low	50 Å²	50	117.3 Å²	117.3	52%	0.515	63%	0.632	S	S	.	*			trans	-86.8	104.5	169.7	0	0	0	0	0	106.2	R1015 L1019	R1015-G1017 PolarHBondContact O-N 2.95Å; G1017-L1019 PolarHBondContact O-N 3.31Å
1018	S	26.5	Very low	29	Very low	82 Å²	82	121.5 Å²	121.5	57%	0.573	64%	0.644	S	S	*	*			trans	54.3	61.5	157.9	-158.8	0	0	0	0	114.5	S1020	S1018-S1020 PolarHBondContact O-N 3.07Å; S1018-S1020 VanDerWaalsContact O-N 3.16Å; S1018-S1020 PolarHBondContact OG-OG 2.56Å; S1018-S1020 VanDerWaalsContact OG-OG 3.11Å
1019	L	27.3	Very low	29.1	Very low	114 Å²	114	120.5 Å²	120.5	60%	0.597	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	11.1	160	-100.8	135.4	0	0	0	112.4	W1016 G1017 N1021 S1022	W1016-L1019 HydrophobicContact CE3-CD1 3.83Å; W1016-L1019 HydrophobicContact CZ3-CD1 3.94Å; G1017-L1019 PolarHBondContact O-N 3.31Å; L1019-N1021 PolarHBondContact O-N 3.38Å; L1019-S1022 VanDerWaalsContact CD2-OG 3.26Å; L1019-S1022 WeakPolarHBondContact CD2-OG 3.19Å
1020	S	30.6	Very low	29.3	Very low	94 Å²	94	120.2 Å²	120.2	66%	0.657	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-1	165.1	68.6	0	0	0	0	113.4	S1018	S1018-S1020 PolarHBondContact O-N 3.07Å; S1018-S1020 VanDerWaalsContact O-N 3.16Å; S1018-S1020 PolarHBondContact OG-OG 2.56Å; S1018-S1020 VanDerWaalsContact OG-OG 3.11Å
1021	N	29.9	Very low	29.4	Very low	132 Å²	132	123.6 Å²	123.6	71%	0.706	64%	0.642	S	S	*	*	S	Bend	trans	-136.4	11.4	-179.7	-96.1	-5.7	0	0	0	117.3	L1019	L1019-N1021 PolarHBondContact O-N 3.38Å
1022	S	27.5	Very low	29.5	Very low	73 Å²	73	122.9 Å²	122.9	51%	0.51	65%	0.646	S	S	.	*			trans	-106.5	24	173.8	48.8	0	0	0	0	114.5	L1019 T1024	L1019-S1022 VanDerWaalsContact CD2-OG 3.26Å; L1019-S1022 WeakPolarHBondContact CD2-OG 3.19Å; S1022-T1024 VanDerWaalsContact C-N 3.28Å
1023	N	27.3	Very low	29.1	Very low	101 Å²	101	130.7 Å²	130.7	54%	0.54	67%	0.665	S	S	.	*			trans	-89.1	18.7	163.6	-107.6	-4.9	0	0	0	113.5	K1025 L1026 N1027	N1023-K1025 PolarHBondContact O-N 2.92Å; N1023-K1025 VanDerWaalsContact O-N 3.12Å; N1023-L1026 PolarHBondContact O-N 3.25Å; N1023-L1026 VanDerWaalsContact O-N 3.12Å; N1023-N1027 PolarHBondContact O-N 3.45Å
1024	T	34.3	Very low	29.2	Very low	100 Å²	100	128 Å²	128	61%	0.613	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-8.7	-179.7	46.3	0	0	0	0	114.8	S1022 H1028	S1022-T1024 VanDerWaalsContact C-N 3.28Å; T1024-H1028 PolarHBondContact O-CD2 2.89Å
1025	K	30.5	Very low	29.2	Very low	196 Å²	196	129.9 Å²	129.9	85%	0.852	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-14.9	170.7	-80.5	-173.4	177.8	179.9	0	115	N1023	N1023-K1025 PolarHBondContact O-N 2.92Å; N1023-K1025 VanDerWaalsContact O-N 3.12Å
1026	L	31.7	Very low	29.4	Very low	86 Å²	86	130.7 Å²	130.7	45%	0.45	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.1	-26.3	179.2	-132.1	79.7	0	0	0	113.3	N1023 H1028 L1029	N1023-L1026 PolarHBondContact O-N 3.25Å; N1023-L1026 VanDerWaalsContact O-N 3.12Å; L1026-H1028 PolarHBondContact O-N 2.89Å; L1026-L1029 PolarHBondContact O-N 2.73Å
1027	N	28.3	Very low	29.1	Very low	87 Å²	87	128.2 Å²	128.2	47%	0.465	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-10.8	178.1	-74.8	5.2	0	0	0	114	N1023 L1029	N1023-N1027 PolarHBondContact O-N 3.45Å; N1027-L1029 PolarHBondContact O-N 3.33Å
1028	H	29.4	Very low	29.2	Very low	171 Å²	171	133.7 Å²	133.7	79%	0.792	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-3.5	173.4	-93.8	-58.3	0	0	0	114.6	T1024 L1026	T1024-H1028 PolarHBondContact O-CD2 2.89Å; L1026-H1028 PolarHBondContact O-N 2.89Å
1029	L	31	Very low	29.1	Very low	133 Å²	133	135.1 Å²	135.1	70%	0.696	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	-8.3	-173.4	-91.1	144	0	0	0	115.9	L1026 N1027	L1026-L1029 PolarHBondContact O-N 2.73Å; N1027-L1029 PolarHBondContact O-N 3.33Å
1030	I	35.1	Very low	29.2	Very low	79 Å²	79	138 Å²	138	41%	0.405	70%	0.703	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.8	-10.7	-171.7	-56.2	-177.1	0	0	0	116	P1032	I1030-P1032 WeakPolarHBondContact O-CD 3.31Å
1031	E	28.6	Very low	29	Very low	155 Å²	155	142.2 Å²	142.2	72%	0.724	71%	0.71	S	S	*	*			trans	-89.6	119.1	172.1	-89.9	-179.2	174.9	0	0	112.3	R1033	E1031-R1033 PolarHBondContact O-N 3.11Å
1032	P	32.1	Very low	28.8	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	71%	0.708	S	S	*	*			trans	-67.8	123.7	161.7	28	-26.5	0	0	0	107.6	I1030 S1034	I1030-P1032 WeakPolarHBondContact O-CD 3.31Å; P1032-S1034 PolarHBondContact O-N 3.4Å; P1032-S1034 VanDerWaalsContact O-N 3.07Å
1033	R	27.4	Very low	28.8	Very low	256 Å²	256	141.8 Å²	141.8	97%	0.966	72%	0.717	S	S	*	*	S	Bend	trans	-41.8	111.1	-178.8	-73.4	175.4	168.9	168.4	-4.1	112.1	E1031	E1031-R1033 PolarHBondContact O-N 3.11Å
1034	S	26.6	Very low	29	Very low	84 Å²	84	144.6 Å²	144.6	59%	0.587	73%	0.732	S	S	*	*			trans	-159.5	123.6	155.3	-163.9	0	0	0	0	110.8	P1032	P1032-S1034 PolarHBondContact O-N 3.4Å; P1032-S1034 VanDerWaalsContact O-N 3.07Å
1035	H	28.2	Very low	28.5	Very low	175 Å²	175	147.6 Å²	147.6	81%	0.81	74%	0.743	S	S	*	*	S	Bend	trans	70	95.2	166.3	-47.9	-58	0	0	0	119.9
1036	R	28.8	Very low	28.4	Very low	245 Å²	245	145.4 Å²	145.4	93%	0.925	74%	0.741	S	S	*	*				166.9	120	103.7	-104.9	179.8	162.6	159.3	-3.1	110.9
1037	I	27.3	Very low	28.4	Very low	162 Å²	162	149.1 Å²	149.1	83%	0.831	76%	0.761	S	S	*	*			trans	-65.9	132.4	176.7	-74.2	164.9	0	0	0	110.6	T1039	I1037-T1039 PolarHBondContact O-N 2.98Å
1038	L	24.7	Very low	28.2	Very low	165 Å²	165	151.7 Å²	151.7	86%	0.864	78%	0.78	S	S	*	*			trans	-56.9	121.9	165.8	-78.9	152.2	0	0	0	111.1
1039	T	25.3	Very low	28.1	Very low	112 Å²	112	152.6 Å²	152.6	69%	0.687	78%	0.782	S	S	*	*			trans	-129	92.5	154.4	14.6	0	0	0	0	107.8	I1037	I1037-T1039 PolarHBondContact O-N 2.98Å
1040	L	28.7	Very low	27.9	Very low	174 Å²	174	152 Å²	152	91%	0.911	78%	0.784	S	S	*	*			trans	-143	87.7	151.4	-78.8	-178	0	0	0	107.7
1041	F	27.2	Very low	27.6	Very low	183 Å²	183	153 Å²	153	80%	0.803	80%	0.798	S	S	*	*			trans	-60.6	140.3	159.3	-92.6	-92	0	0	0	110.4
1042	S	25	Very low	27.5	Very low	96 Å²	96	150.4 Å²	150.4	67%	0.671	80%	0.797	S	S	*	*			trans	59.6	139.8	138	-66.5	0	0	0	0	122.6
1043	S	26.7	Very low	27.1	Very low	99 Å²	99	150.7 Å²	150.7	69%	0.692	80%	0.797	S	S	*	*			trans	70.9	107	148.8	40	0	0	0	0	118.3
1044	D	31.7	Very low	27.3	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	79%	0.792	S	S	*	*				-170	87.9	104.9	-87.4	-20.7	0	0	0	111.4
1045	L	25	Very low	27.2	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	80%	0.8	S	S	*	*			trans	-74.1	107	144.9	-92.3	111.8	0	0	0	106.7
1046	N	26.8	Very low	27.4	Very low	149 Å²	149	151.7 Å²	151.7	80%	0.797	82%	0.824	S	S	*	*			trans	170	103	144.8	-89.3	-25.6	0	0	0	110.3
1047	N	31.4	Very low	27.3	Very low	165 Å²	165	147.1 Å²	147.1	88%	0.882	82%	0.819	S	S	*	*			trans	-172	83.3	137	-101.9	-18.7	0	0	0	110.6
1048	T	25.9	Very low	27.3	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	82%	0.818	S	S	*	*			trans	-135.3	76.5	160.6	54.5	0	0	0	0	108.9
1049	K	27	Very low	27.5	Very low	189 Å²	189	145.2 Å²	145.2	82%	0.822	82%	0.816	S	S	*	*			trans	-146.1	115.1	159.1	-87.3	-164.8	179.5	173.6	0	112.1
1050	T	26.4	Very low	27.6	Very low	122 Å²	122	147.2 Å²	147.2	75%	0.748	82%	0.823	S	S	*	*			trans	76.7	145.6	130.8	60.8	0	0	0	0	122.5
1051	S	27.8	Very low	27.6	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	82%	0.818	S	S	*	*			trans	72	103.3	156.3	50.6	0	0	0	0	116.9
1052	S	26.5	Very low	27.6	Very low	99 Å²	99	143 Å²	143	69%	0.692	82%	0.819	S	S	*	*				79.1	115.7	73.7	71	0	0	0	0	113.2
1053	T	25.4	Very low	27.8	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	83%	0.829	S	S	*	*			trans	46.7	113.8	145.6	57.7	0	0	0	0	118
1054	D	30.9	Very low	27.8	Very low	163 Å²	163	150 Å²	150	87%	0.872	84%	0.84	S	S	*	*				-152.7	134.6	124.1	-100.3	-26.1	0	0	0	111.9
1055	S	25.2	Very low	27.5	Very low	107 Å²	107	149.2 Å²	149.2	75%	0.748	84%	0.838	S	S	*	*			trans	-79.1	125.5	167.7	59.6	0	0	0	0	110
1056	M	32.1	Very low	27.8	Very low	267 Å²	267	147.8 Å²	147.8	100%	1.315	84%	0.837	S	S	*	*				-141.9	0	127.5	-90.4	-155	109.1	0	0	107.8

Retrieved 1,056 of 1,056 residues in 227.1 ms (Link to these results)

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