A0A3Q0KK33_SCHMA Loading...

Putative armc3

AlphaFold DB , UniProt , Accession A0A3Q0KK33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 859 aa.

						>A0A3Q0KK33_SCHMA|A0A3Q0KK33
MTAGKKSKRDDISAADSFDEVVVGLHQAESAVLMLKSPEDDVKTRACEALYKFSNKSDENKKALISLNILEYLQPLIRDENRVVKRNAVLVYGVLSSLPSARSIIRKLPNIVTDLLKLLDSEEFETTKEFTAMTLSHLCLEYAGIYELIEHKCFSVITPCLKSPDPDVQKNTLDIIYMLLQDFEARPMLKASEGLETLIELLVSEYPVIQDLVLKVFARATQDSIIKTALRDMNALDAFVDIIGVPEFNDIHVSALQVIANLLNDTECVKHLVSQGSLQKLLHFITDRQVYNESDIKVNSANQQQNKDKNAKGRKPSPKKSDKKKSSKGDSDGKKDEEKPPSNTLPEAKIHTCNALMRAACKEETRKILHDADVERMLVSLLSHEDEGVRSASAQVIAILSESSVCQDRIAELGGPELLIRMTRSDHRELKSAGATALAALTTGNGSICREVASRNSGLEALLSCLHMSDPEVDSITVGGLVALTNLAIEETTRPKVLHVITAKLFIPTLNSNSVLTQSKAALAVASLISEPHTVQQFVQLGGLSSLLNLIQSTNNDVRRSACWAIASLTADHTAAVTLSQLNGITILQTLNESITRKNTFTELALKRVLDANLMAKFALTGYLDFVDHIPDLFYDPGQITNPSQFLTLDEYNEQSVNDRRPIFLINLQKCDIVSSSDCVQSQVSSDAKTDDLKQDDLNYFNEMKYPFDSTLHDWLNTAVKQITPINELKEQIKSLGEFVASCYGGSVSKDEQITLRNELSLSQLRCQLNSNLIPVGLIKQGSFLQRALVFKLLADRIGLPTNLIRGTYGRSFNEVLIEPENSKSQTYRDLYVVDLMFEPGKLLKSSTSEALEYTSIAC
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	36.7	Very low	238 Å²	238	168.2 Å²	168.2	100%	1.172	90%	0.896	S	S	*	*				0	104.5	0	-82	-156.5	-89.8	0	0	107.7
2	T	38.6	Very low	37.6	Very low	148 Å²	148	167.3 Å²	167.3	91%	0.908	89%	0.888	S	S	*	*			trans	177.9	104.4	149	29.3	0	0	0	0	106.9
3	A	34.7	Very low	37.6	Very low	114 Å²	114	163.1 Å²	163.1	94%	0.942	88%	0.88	S	S	*	*			trans	-70.5	132.3	167.9	0	0	0	0	0	108.9
4	G	38.7	Very low	37.9	Very low	75 Å²	75	156.9 Å²	156.9	77%	0.773	86%	0.863	S	S	*	*			trans	-138.3	82.3	-178.2	0	0	0	0	0	112.1
5	K	36.8	Very low	38.2	Very low	208 Å²	208	153.5 Å²	153.5	90%	0.904	86%	0.863	S	S	*	*			trans	40.9	109.2	149.3	-74	174.8	174.3	172.9	0	119.7
6	K	34.2	Very low	38.6	Very low	219 Å²	219	154.1 Å²	154.1	95%	0.952	86%	0.864	S	S	*	*			trans	-67.9	119.3	152.6	-80.2	-179.4	171.8	-179.6	0	110.4
7	S	41.3	Very low	38.9	Very low	123 Å²	123	151.1 Å²	151.1	86%	0.86	86%	0.855	S	S	*	*			trans	-94.1	150	155.9	48.4	0	0	0	0	109.9
8	K	35.1	Very low	39.8	Very low	192 Å²	192	153.9 Å²	153.9	84%	0.835	86%	0.857	S	S	*	*			trans	-104.9	154.4	-161.9	-147.8	179.5	-171.6	179.3	0	110.3
9	R	36.5	Very low	40.1	Very low	220 Å²	220	153.9 Å²	153.9	83%	0.83	86%	0.855	S	S	*	*			trans	87.5	137.7	166.5	-63.7	-179.9	-179.8	155.1	-0.7	115
10	D	39.6	Very low	40.7	Very low	146 Å²	146	153.5 Å²	153.5	78%	0.781	85%	0.846	S	S	*	*			cis	-136.3	147.4	31.8	-77.8	-59.2	0	0	0	114.2	I12	D10-I12 PolarHBondContact O-N 3.32Å
11	D	36.4	Very low	41.2	Very low	167 Å²	167	151.5 Å²	151.5	89%	0.893	84%	0.839	S	S	*	*			trans	-68.1	116.6	168.9	-73.2	-51.2	0	0	0	110.3
12	I	47.2	Very low	42.3	Very low	158 Å²	158	146 Å²	146	81%	0.81	82%	0.818	S	S	*	*			trans	-129.5	117.4	154.4	-61.4	178.9	0	0	0	107.5	D10 A14	D10-I12 PolarHBondContact O-N 3.32Å; I12-A14 PolarHBondContact O-N 3.1Å
13	S	38	Very low	43	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	80%	0.802	S	S	*	*			trans	-57.5	123.8	173.6	55	0	0	0	0	112.1
14	A	41.1	Very low	44.1	Very low	77 Å²	77	140 Å²	140	64%	0.636	78%	0.778	S	S	*	*			trans	-152.7	99.7	151.8	0	0	0	0	0	108.5	I12 D16	I12-A14 PolarHBondContact O-N 3.1Å; A14-D16 PolarHBondContact O-N 3.08Å
15	A	42.8	Very low	45.2	Very low	105 Å²	105	138.8 Å²	138.8	87%	0.868	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	38.3	-178	0	0	0	0	0	113.4
16	D	44.8	Very low	46.7	Very low	164 Å²	164	137.5 Å²	137.5	88%	0.877	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.8	27.5	-174.7	-86.7	-32.9	0	0	0	113.6	A14	A14-D16 PolarHBondContact O-N 3.08Å
17	S	43.5	Very low	48.9	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	73%	0.733	S	S	*	*			trans	-106.3	120.8	171.7	71	0	0	0	0	111.4
18	F	54.7	Low	51	Low	203 Å²	203	128 Å²	128	89%	0.89	70%	0.698	S	S	*	*			trans	-58.5	141.2	167.8	-76.9	-87.3	0	0	0	110.4
19	D	46.7	Very low	53.6	Low	153 Å²	153	123.6 Å²	123.6	82%	0.818	68%	0.68	S	S	*	*			trans	-55.9	148.2	167.6	-72.4	-40	0	0	0	110.5	V21	D19-V21 PolarHBondContact O-N 3.28Å
20	E	52	Low	56.1	Low	146 Å²	146	115.5 Å²	115.5	68%	0.682	66%	0.657	S	S	*	*			trans	-56.6	112.8	179.3	-163	-176.5	172.8	0	0	110.3	V22 R45	E20-V22 PolarHBondContact O-N 2.71Å; E20-V22 VanDerWaalsContact O-N 3.08Å; E20-R45 IonicContact OE1-NH2 3.13Å
21	V	51	Low	58.5	Low	112 Å²	112	108.7 Å²	108.7	68%	0.679	62%	0.622	S	S	*	*			trans	-73.9	102.3	175.8	179.3	0	0	0	0	108.5	D19 V23	D19-V21 PolarHBondContact O-N 3.28Å; V21-V23 HydrophobicContact CG1-CG2 3.88Å; V21-V23 PolarHBondContact O-N 2.68Å
22	V	54.5	Low	61.2	Low	123 Å²	123	101 Å²	101	75%	0.745	58%	0.581	S	S	*	*			trans	-73.8	92	170	-175.7	0	0	0	0	108.5	E20 G24	E20-V22 PolarHBondContact O-N 2.71Å; E20-V22 VanDerWaalsContact O-N 3.08Å; V22-G24 PolarHBondContact O-N 2.78Å; V22-G24 VanDerWaalsContact O-N 3.09Å
23	V	53.6	Low	63.2	Low	93 Å²	93	98.7 Å²	98.7	56%	0.564	57%	0.569	S	S	*	*			trans	-70.9	103.7	174.4	-175.8	0	0	0	0	109	V21 L25	V21-V23 HydrophobicContact CG1-CG2 3.88Å; V21-V23 PolarHBondContact O-N 2.68Å; V23-L25 PolarHBondContact O-N 3.47Å; V23-L25 VanDerWaalsContact O-N 3.15Å
24	G	56.8	Low	65.8	Low	43 Å²	43	95.7 Å²	95.7	44%	0.443	54%	0.543	S	S	.	.			trans	-66.4	106.1	170	0	0	0	0	0	110.7	V22 H26	V22-G24 PolarHBondContact O-N 2.78Å; V22-G24 VanDerWaalsContact O-N 3.09Å; G24-H26 PolarHBondContact O-CD2 3.19Å; G24-H26 VanDerWaalsContact O-CD2 3.24Å; G24-H26 PolarHBondContact O-N 2.93Å
25	L	62.2	Low	68.2	Low	48 Å²	48	92.2 Å²	92.2	25%	0.251	51%	0.514	S	S	.	.			trans	-74.7	92.8	176.4	-83.2	166.9	0	0	0	110.6	V23 A31 M34 A49	V23-L25 PolarHBondContact O-N 3.47Å; V23-L25 VanDerWaalsContact O-N 3.15Å; L25-A31 HydrophobicContact CD1-CB 4.4Å; L25-A31 HydrophobicContact CD2-CB 3.85Å; L25-M34 HydrophobicContact CD1-CE 4.13Å; L25-M34 HydrophobicContact CD1-SD 4.02Å; L25-M34 HydrophobicContact CD2-CE 4.35Å; L25-M34 HydrophobicContact CD2-SD 3.27Å; L25-M34 WeakPolarHBondContact CD2-SD 3.43Å; L25-M34 HydrophobicContact CG-CE 4.44Å; L25-M34 HydrophobicContact CG-SD 3.96Å; L25-A49 HydrophobicContact CB-CB 4.3Å; L25-A49 HydrophobicContact CD1-CB 4.11Å
26	H	68.7	Low	70.6	Confident	181 Å²	181	94 Å²	94	84%	0.838	50%	0.502	S	S	*	.			trans	-103	-13.2	179.6	-62.4	-61.2	0	0	0	114.4	G24	G24-H26 PolarHBondContact O-CD2 3.19Å; G24-H26 VanDerWaalsContact O-CD2 3.24Å; G24-H26 PolarHBondContact O-N 2.93Å
27	Q	81.6	Confident	72.9	Confident	128 Å²	128	87.4 Å²	87.4	60%	0.598	47%	0.469	S	S	*	.			trans	-118.4	133.1	-179.6	-68.4	-179.8	-12.2	0	0	110.4	E29 S30 A31	Q27-E29 VanDerWaalsContact C-N 3.33Å; Q27-E29 PolarHBondContact O-N 3.21Å; Q27-S30 PolarHBondContact O-N 2.77Å; Q27-A31 PolarHBondContact O-N 3.48Å
28	A	84.4	Confident	75.1	Confident	14 Å²	14	88.2 Å²	88.2	12%	0.116	47%	0.472	C	S	.	.	H	α-helix	trans	-65.9	-38	-176.7	0	0	0	0	0	111.6	S30 A31 V32 F53 L64 L67	A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.11Å; A28-A31 PolarHBondContact O-N 3.42Å; A28-V32 WeakPolarHBondContact O-CG2 3.14Å; A28-V32 PolarHBondContact O-N 3.35Å; A28-F53 HydrophobicContact CB-CD1 4.21Å; A28-F53 HydrophobicContact CB-CE1 3.87Å; A28-F53 HydrophobicContact CB-CZ 4.16Å; A28-L64 HydrophobicContact CB-CD2 3.91Å; A28-L67 HydrophobicContact CB-CD1 4.46Å
29	E	88.9	Confident	76.9	Confident	101 Å²	101	84.3 Å²	84.3	47%	0.472	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-44.3	178.1	-60.3	78	-174.7	0	0	111.4	Q27 V32 L33 L67	Q27-E29 VanDerWaalsContact C-N 3.33Å; Q27-E29 PolarHBondContact O-N 3.21Å; E29-V32 PolarHBondContact O-N 3.37Å; E29-L33 WeakPolarHBondContact O-CG 3.4Å; E29-L33 PolarHBondContact O-N 3.43Å; E29-L67 HydrophobicContact CG-CD1 3.92Å; E29-L67 HydrophobicContact CG-CD2 3.94Å
30	S	89.9	Confident	79.1	Confident	49 Å²	49	79.8 Å²	79.8	34%	0.343	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.8	-66.1	0	0	0	0	111.2	Q27 A28 L33 M34	Q27-S30 PolarHBondContact O-N 2.77Å; A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.11Å; S30-L33 PolarHBondContact O-N 2.98Å; S30-M34 VanDerWaalsContact O-CG 3.32Å; S30-M34 WeakPolarHBondContact O-CG 3.48Å; S30-M34 PolarHBondContact O-N 2.71Å
31	A	90.5	Very high	81	Confident	4 Å²	4	78.2 Å²	78.2	3%	0.033	43%	0.428	C	S	.	.	H	α-helix	trans	-65.8	-38.8	177.2	0	0	0	0	0	112.4	L25 Q27 A28 L33 M34 L35 L50	L25-A31 HydrophobicContact CD1-CB 4.4Å; L25-A31 HydrophobicContact CD2-CB 3.85Å; Q27-A31 PolarHBondContact O-N 3.48Å; A28-A31 PolarHBondContact O-N 3.42Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 2.61Å; A31-M34 PolarHBondContact O-N 3.2Å; A31-L35 PolarHBondContact O-N 3.18Å; A31-L50 HydrophobicContact CB-CD1 4.28Å; A31-L50 HydrophobicContact CB-CD2 3.81Å; A31-L50 HydrophobicContact CB-CG 3.85Å
32	V	91.6	Very high	83	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.03	40%	0.404	C	S	.	.	H	α-helix	trans	-61.9	-42.2	174.3	173.5	0	0	0	0	111.1	A28 E29 M34 L35 L50 L64 L67 I69 Y72	A28-V32 WeakPolarHBondContact O-CG2 3.14Å; A28-V32 PolarHBondContact O-N 3.35Å; E29-V32 PolarHBondContact O-N 3.37Å; V32-M34 VanDerWaalsContact C-N 3.32Å; V32-M34 PolarHBondContact O-N 2.99Å; V32-L35 VanDerWaalsContact O-CB 3.28Å; V32-L35 WeakPolarHBondContact O-CB 3.49Å; V32-L35 WeakPolarHBondContact O-CG 3.44Å; V32-L35 PolarHBondContact O-N 3.17Å; V32-L50 HydrophobicContact CG2-CD1 4.4Å; V32-L50 HydrophobicContact CG2-CD2 3.85Å; V32-L64 HydrophobicContact CG2-CD2 4.23Å; V32-L67 HydrophobicContact CG2-CB 4.39Å; V32-L67 HydrophobicContact CG2-CD1 4.25Å; V32-I69 HydrophobicContact CG2-CB 4.37Å; V32-I69 HydrophobicContact CG2-CD1 4.13Å; V32-I69 HydrophobicContact CG2-CG1 4.14Å; V32-Y72 HydrophobicContact CG1-CD1 4.37Å; V32-Y72 HydrophobicContact CG1-CD2 4.06Å; V32-Y72 HydrophobicContact CG1-CE2 4.29Å; V32-Y72 HydrophobicContact CG1-CG 4.16Å
33	L	90.2	Very high	84.8	Confident	109 Å²	109	69 Å²	69	57%	0.571	37%	0.371	S	S	*	.	H	α-helix	trans	-65.2	-35.9	177.2	-70.1	173.8	0	0	0	112.6	E29 S30 A31 L35 K36	E29-L33 WeakPolarHBondContact O-CG 3.4Å; E29-L33 PolarHBondContact O-N 3.43Å; S30-L33 PolarHBondContact O-N 2.98Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 2.61Å; L33-L35 PolarHBondContact O-N 2.91Å; L33-K36 PolarHBondContact O-N 2.87Å; L33-K36 VanDerWaalsContact O-N 3.13Å
34	M	92	Very high	86.7	Confident	49 Å²	49	65.3 Å²	65.3	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-16.1	178	-73.8	174.7	72.1	0	0	113.7	L25 S30 A31 V32 K36 S37 V42 A46	L25-M34 HydrophobicContact CD1-CE 4.13Å; L25-M34 HydrophobicContact CD1-SD 4.02Å; L25-M34 HydrophobicContact CD2-CE 4.35Å; L25-M34 HydrophobicContact CD2-SD 3.27Å; L25-M34 WeakPolarHBondContact CD2-SD 3.43Å; L25-M34 HydrophobicContact CG-CE 4.44Å; L25-M34 HydrophobicContact CG-SD 3.96Å; S30-M34 VanDerWaalsContact O-CG 3.32Å; S30-M34 WeakPolarHBondContact O-CG 3.48Å; S30-M34 PolarHBondContact O-N 2.71Å; A31-M34 PolarHBondContact O-N 3.2Å; V32-M34 VanDerWaalsContact C-N 3.32Å; V32-M34 PolarHBondContact O-N 2.99Å; M34-K36 PolarHBondContact O-N 2.93Å; M34-S37 VanDerWaalsContact O-CB 3.23Å; M34-S37 WeakPolarHBondContact O-CB 3.47Å; M34-S37 PolarHBondContact O-N 2.76Å; M34-S37 VanDerWaalsContact O-N 3.09Å; M34-V42 HydrophobicContact CB-CG1 4.09Å; M34-V42 HydrophobicContact CE-CG1 3.52Å; M34-V42 HydrophobicContact CG-CG1 4.37Å; M34-A46 HydrophobicContact CB-CB 3.82Å
35	L	93	Very high	88.4	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.026	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.9	172	-62.2	179.9	0	0	0	113.2	A31 V32 L33 S37 A46 C47 L50 I69 L73 L76	A31-L35 PolarHBondContact O-N 3.18Å; V32-L35 VanDerWaalsContact O-CB 3.28Å; V32-L35 WeakPolarHBondContact O-CB 3.49Å; V32-L35 WeakPolarHBondContact O-CG 3.44Å; V32-L35 PolarHBondContact O-N 3.17Å; L33-L35 PolarHBondContact O-N 2.91Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-A46 HydrophobicContact CD2-CB 3.9Å; L35-C47 WeakPolarHBondContact CD2-SG 3.23Å; L35-L50 HydrophobicContact CD1-CD1 3.81Å; L35-L50 HydrophobicContact CD2-CD1 3.93Å; L35-L50 HydrophobicContact CG-CD1 3.97Å; L35-I69 HydrophobicContact CD1-CG1 4.19Å; L35-L73 HydrophobicContact CD1-CD2 3.9Å; L35-L73 HydrophobicContact CD1-CG 4.26Å; L35-L73 HydrophobicContact CD2-CD2 4.49Å; L35-L76 HydrophobicContact CB-CD1 4.04Å; L35-L76 HydrophobicContact CD2-CD1 3.85Å; L35-L76 HydrophobicContact CG-CD1 4.41Å
36	K	92.4	Very high	89.9	Confident	142 Å²	142	67.1 Å²	67.1	62%	0.617	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.2	175.8	-72.4	177	165	163.3	0	113.7	L33 M34 Y72	L33-K36 PolarHBondContact O-N 2.87Å; L33-K36 VanDerWaalsContact O-N 3.13Å; M34-K36 PolarHBondContact O-N 2.93Å; K36-Y72 HydrophobicContact CD-CD1 3.92Å; K36-Y72 HydrophobicContact CD-CE1 3.57Å; K36-Y72 VanDerWaalsContact CE-CD1 3.48Å; K36-Y72 HydrophobicContact CG-CD1 3.84Å; K36-Y72 HydrophobicContact CG-CE1 4.03Å; K36-Y72 PolarHBondContact NZ-OH 3.3Å
37	S	91.8	Very high	91.2	Very high	26 Å²	26	58.5 Å²	58.5	18%	0.182	30%	0.299	C	S	.	.			trans	-61.8	141.3	-179.5	-175.1	0	0	0	0	111.2	M34 L35 E39 V42 K43	M34-S37 VanDerWaalsContact O-CB 3.23Å; M34-S37 WeakPolarHBondContact O-CB 3.47Å; M34-S37 PolarHBondContact O-N 2.76Å; M34-S37 VanDerWaalsContact O-N 3.09Å; L35-S37 VanDerWaalsContact C-N 3.31Å; S37-E39 PolarHBondContact O-N 3.15Å; S37-E39 PolarHBondContact OG-N 2.85Å; S37-V42 VanDerWaalsContact CB-CG1 3.49Å; S37-K43 VanDerWaalsContact O-CD 3.29Å; S37-K43 WeakPolarHBondContact O-CD 3.46Å; S37-K43 WeakPolarHBondContact O-CG 3.36Å
38	P	91.1	Very high	91.7	Very high	118 Å²	118	55.9 Å²	55.9	77%	0.766	29%	0.287	S	S	*	.	S	Bend	trans	-69.4	-17.2	170.1	30.3	-35.3	0	0	0	112.5
39	E	92.4	Very high	92.1	Very high	121 Å²	121	56.7 Å²	56.7	57%	0.565	29%	0.294	S	S	*	.			trans	-87.9	122.2	-176.4	-65.6	175.3	-159	0	0	112	S37 D41 V42 K43	S37-E39 PolarHBondContact O-N 3.15Å; S37-E39 PolarHBondContact OG-N 2.85Å; E39-D41 VanDerWaalsContact C-N 3.32Å; E39-D41 PolarHBondContact O-N 2.8Å; E39-V42 HydrophobicContact CB-CB 4.05Å; E39-V42 HydrophobicContact CB-CG2 3.72Å; E39-V42 WeakPolarHBondContact O-CB 3.45Å; E39-V42 PolarHBondContact O-N 3.28Å; E39-V42 VanDerWaalsContact O-N 3.15Å; E39-V42 VanDerWaalsContact OE2-CG2 3.27Å; E39-V42 WeakPolarHBondContact OE2-CG2 3.44Å; E39-K43 PolarHBondContact O-N 3.4Å; E39-K43 VanDerWaalsContact O-N 3.07Å
40	D	92.6	Very high	92.4	Very high	58 Å²	58	51.9 Å²	51.9	31%	0.31	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-39.2	-179.3	-72.6	-11.5	0	0	0	113.5	V42 K43 T44 N81 V84	D40-V42 VanDerWaalsContact C-N 3.3Å; D40-V42 PolarHBondContact O-N 2.9Å; D40-K43 PolarHBondContact O-N 2.96Å; D40-K43 WeakPolarHBondContact OD1-CE 3.34Å; D40-K43 IonicContact OD1-NZ 2.78Å; D40-K43 PolarHBondContact OD1-NZ 3.26Å; D40-T44 VanDerWaalsContact O-CB 3.25Å; D40-T44 WeakPolarHBondContact O-CB 3.5Å; D40-T44 PolarHBondContact O-N 3.47Å; D40-T44 PolarHBondContact O-OG1 2.94Å; D40-N81 WeakPolarHBondContact CB-ND2 3.4Å; D40-N81 WeakPolarHBondContact OD2-CB 3.17Å; D40-N81 PolarHBondContact OD2-ND2 3.02Å; D40-V84 HydrophobicContact CB-CG2 4.02Å
41	D	91.6	Very high	92.6	Very high	113 Å²	113	52.5 Å²	52.5	60%	0.604	27%	0.266	S	S	*	.	H	α-helix	trans	-64.6	-37.2	178.4	-73.4	-24.7	0	0	0	111.7	E39 R45	E39-D41 VanDerWaalsContact C-N 3.32Å; E39-D41 PolarHBondContact O-N 2.8Å; D41-R45 WeakPolarHBondContact O-CB 3.14Å; D41-R45 VanDerWaalsContact O-CG 3.3Å; D41-R45 WeakPolarHBondContact O-CG 3.44Å; D41-R45 PolarHBondContact O-N 2.82Å
42	V	92.6	Very high	92.8	Very high	26 Å²	26	58.6 Å²	58.6	16%	0.158	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-48	177.6	177.7	0	0	0	0	110.4	M34 S37 E39 D40 T44 R45 A46	M34-V42 HydrophobicContact CB-CG1 4.09Å; M34-V42 HydrophobicContact CE-CG1 3.52Å; M34-V42 HydrophobicContact CG-CG1 4.37Å; S37-V42 VanDerWaalsContact CB-CG1 3.49Å; E39-V42 HydrophobicContact CB-CB 4.05Å; E39-V42 HydrophobicContact CB-CG2 3.72Å; E39-V42 WeakPolarHBondContact O-CB 3.45Å; E39-V42 PolarHBondContact O-N 3.28Å; E39-V42 VanDerWaalsContact O-N 3.15Å; E39-V42 VanDerWaalsContact OE2-CG2 3.27Å; E39-V42 WeakPolarHBondContact OE2-CG2 3.44Å; D40-V42 VanDerWaalsContact C-N 3.3Å; D40-V42 PolarHBondContact O-N 2.9Å; V42-T44 VanDerWaalsContact C-N 3.32Å; V42-T44 PolarHBondContact O-N 2.85Å; V42-R45 PolarHBondContact O-N 2.78Å; V42-A46 VanDerWaalsContact O-CB 3.3Å; V42-A46 WeakPolarHBondContact O-CB 3.09Å; V42-A46 PolarHBondContact O-N 3.11Å
43	K	93.9	Very high	92.8	Very high	16 Å²	16	61.2 Å²	61.2	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-45.3	174.9	-68.9	-179.4	-68.9	-179.4	0	111.2	S37 E39 D40 A46 C47 L76 D79 V84	S37-K43 VanDerWaalsContact O-CD 3.29Å; S37-K43 WeakPolarHBondContact O-CD 3.46Å; S37-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.4Å; E39-K43 VanDerWaalsContact O-N 3.07Å; D40-K43 PolarHBondContact O-N 2.96Å; D40-K43 WeakPolarHBondContact OD1-CE 3.34Å; D40-K43 IonicContact OD1-NZ 2.78Å; D40-K43 PolarHBondContact OD1-NZ 3.26Å; K43-A46 PolarHBondContact O-N 3.39Å; K43-C47 PolarHBondContact O-N 3.47Å; K43-C47 PolarHBondContact O-SG 3.3Å; K43-L76 HydrophobicContact CD-CD2 3.66Å; K43-D79 IonicContact NZ-OD1 2.75Å; K43-D79 IonicContact NZ-OD2 3.35Å; K43-D79 PolarHBondContact NZ-OD2 3.48Å; K43-V84 HydrophobicContact CB-CG1 4.04Å; K43-V84 HydrophobicContact CB-CG2 4.25Å; K43-V84 HydrophobicContact CD-CG1 4.21Å
44	T	93.1	Very high	93	Very high	16 Å²	16	56 Å²	56	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-51.9	179.5	-63	0	0	0	0	111.4	D40 V42 A46 C47 E48 V83 V84 N87	D40-T44 VanDerWaalsContact O-CB 3.25Å; D40-T44 WeakPolarHBondContact O-CB 3.5Å; D40-T44 PolarHBondContact O-N 3.47Å; D40-T44 PolarHBondContact O-OG1 2.94Å; V42-T44 VanDerWaalsContact C-N 3.32Å; V42-T44 PolarHBondContact O-N 2.85Å; T44-A46 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.03Å; T44-C47 PolarHBondContact O-N 3.36Å; T44-E48 WeakPolarHBondContact O-CG 3.3Å; T44-E48 PolarHBondContact O-N 3.02Å; T44-V83 HydrophobicContact CG2-CG1 3.81Å; T44-V84 WeakPolarHBondContact OG1-CG2 3.28Å; T44-N87 VanDerWaalsContact CG2-ND2 3.29Å; T44-N87 WeakPolarHBondContact CG2-ND2 3.48Å; T44-N87 PolarHBondContact O-ND2 2.95Å
45	R	92.4	Very high	93	Very high	128 Å²	128	57.6 Å²	57.6	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-38.3	178.4	-71.6	175.5	-174.6	170.7	1	112	E20 D41 V42 E48 A49	E20-R45 IonicContact OE1-NH2 3.13Å; D41-R45 WeakPolarHBondContact O-CB 3.14Å; D41-R45 VanDerWaalsContact O-CG 3.3Å; D41-R45 WeakPolarHBondContact O-CG 3.44Å; D41-R45 PolarHBondContact O-N 2.82Å; V42-R45 PolarHBondContact O-N 2.78Å; R45-E48 PolarHBondContact O-N 2.98Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 2.91Å
46	A	93.6	Very high	92.9	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-50	176	0	0	0	0	0	111.7	M34 L35 V42 K43 T44 E48 A49 L50	M34-A46 HydrophobicContact CB-CB 3.82Å; L35-A46 HydrophobicContact CD2-CB 3.9Å; V42-A46 VanDerWaalsContact O-CB 3.3Å; V42-A46 WeakPolarHBondContact O-CB 3.09Å; V42-A46 PolarHBondContact O-N 3.11Å; K43-A46 PolarHBondContact O-N 3.39Å; T44-A46 VanDerWaalsContact C-N 3.34Å; T44-A46 PolarHBondContact O-N 3.03Å; A46-E48 VanDerWaalsContact C-N 3.34Å; A46-E48 PolarHBondContact O-N 3.31Å; A46-A49 PolarHBondContact O-N 3.02Å; A46-L50 WeakPolarHBondContact O-CB 3.26Å; A46-L50 WeakPolarHBondContact O-CD1 3.43Å; A46-L50 VanDerWaalsContact O-CG 3.25Å; A46-L50 WeakPolarHBondContact O-CG 3.25Å; A46-L50 PolarHBondContact O-N 2.86Å
47	C	94.8	Very high	92.9	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-41.7	175.7	-73.3	0	0	0	0	112.4	L35 K43 T44 L50 Y51 N87 V91	L35-C47 WeakPolarHBondContact CD2-SG 3.23Å; K43-C47 PolarHBondContact O-N 3.47Å; K43-C47 PolarHBondContact O-SG 3.3Å; T44-C47 PolarHBondContact O-N 3.36Å; C47-L50 PolarHBondContact O-N 3.1Å; C47-Y51 VanDerWaalsContact O-CB 3.3Å; C47-Y51 WeakPolarHBondContact O-CB 3.46Å; C47-Y51 PolarHBondContact O-N 2.76Å; C47-N87 HydrophobicContact CB-CB 3.55Å; C47-V91 WeakPolarHBondContact O-CG2 3.48Å
48	E	93.3	Very high	93	Very high	74 Å²	74	62.3 Å²	62.3	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-40.8	177.2	-71.8	-179.7	-175.6	0	0	113	T44 R45 A46 K52 N87	T44-E48 WeakPolarHBondContact O-CG 3.3Å; T44-E48 PolarHBondContact O-N 3.02Å; R45-E48 PolarHBondContact O-N 2.98Å; A46-E48 VanDerWaalsContact C-N 3.34Å; A46-E48 PolarHBondContact O-N 3.31Å; E48-K52 WeakPolarHBondContact O-CB 3.33Å; E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 3.37Å; E48-N87 WeakPolarHBondContact CG-ND2 3.27Å; E48-N87 PolarHBondContact OE1-ND2 3.12Å; E48-N87 VanDerWaalsContact OE1-ND2 3.16Å
49	A	92.8	Very high	93	Very high	30 Å²	30	62.7 Å²	62.7	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-44.5	176.3	0	0	0	0	0	110.9	L25 R45 A46 K52 F53	L25-A49 HydrophobicContact CB-CB 4.3Å; L25-A49 HydrophobicContact CD1-CB 4.11Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 2.91Å; A46-A49 PolarHBondContact O-N 3.02Å; A49-K52 PolarHBondContact O-N 3.25Å; A49-F53 VanDerWaalsContact O-CB 3.3Å; A49-F53 WeakPolarHBondContact O-CB 3.45Å; A49-F53 PolarHBondContact O-N 2.76Å
50	L	94.7	Very high	93.1	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-41.7	178.1	-69.2	165.4	0	0	0	111.9	A31 V32 L35 A46 C47 F53 S54 L64 I69 V91	A31-L50 HydrophobicContact CB-CD1 4.28Å; A31-L50 HydrophobicContact CB-CD2 3.81Å; A31-L50 HydrophobicContact CB-CG 3.85Å; V32-L50 HydrophobicContact CG2-CD1 4.4Å; V32-L50 HydrophobicContact CG2-CD2 3.85Å; L35-L50 HydrophobicContact CD1-CD1 3.81Å; L35-L50 HydrophobicContact CD2-CD1 3.93Å; L35-L50 HydrophobicContact CG-CD1 3.97Å; A46-L50 WeakPolarHBondContact O-CB 3.26Å; A46-L50 WeakPolarHBondContact O-CD1 3.43Å; A46-L50 VanDerWaalsContact O-CG 3.25Å; A46-L50 WeakPolarHBondContact O-CG 3.25Å; A46-L50 PolarHBondContact O-N 2.86Å; C47-L50 PolarHBondContact O-N 3.1Å; L50-F53 PolarHBondContact O-N 2.84Å; L50-S54 WeakPolarHBondContact O-CB 3.14Å; L50-S54 PolarHBondContact O-N 3.04Å; L50-S54 PolarHBondContact O-OG 2.89Å; L50-L64 HydrophobicContact CD2-CD1 4.32Å; L50-L64 HydrophobicContact CD2-CD2 3.58Å; L50-I69 HydrophobicContact CB-CD1 4.41Å; L50-I69 HydrophobicContact CD1-CD1 3.97Å; L50-I69 HydrophobicContact CD2-CD1 4.11Å; L50-I69 HydrophobicContact CG-CD1 4.39Å; L50-V91 HydrophobicContact CB-CG1 4.48Å; L50-V91 HydrophobicContact CB-CG2 4.17Å
51	Y	94.9	Very high	93.2	Very high	61 Å²	61	57.2 Å²	57.2	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-52.5	174.3	174.7	-108	0	0	0	111	C47 F53 S54 N55 L90 V94 F130	C47-Y51 VanDerWaalsContact O-CB 3.3Å; C47-Y51 WeakPolarHBondContact O-CB 3.46Å; C47-Y51 PolarHBondContact O-N 2.76Å; Y51-F53 VanDerWaalsContact C-N 3.26Å; Y51-F53 PolarHBondContact O-N 3.49Å; Y51-S54 PolarHBondContact O-N 3.13Å; Y51-S54 PolarHBondContact O-OG 3.16Å; Y51-N55 WeakPolarHBondContact CE1-ND2 3.44Å; Y51-N55 WeakPolarHBondContact CE2-ND2 3.09Å; Y51-N55 PolarHBondContact O-N 3.14Å; Y51-N55 VanDerWaalsContact O-N 3.1Å; Y51-N55 PolarHBondContact OH-ND2 3.01Å; Y51-L90 HydrophobicContact CD2-CB 3.66Å; Y51-L90 HydrophobicContact CE2-CB 3.89Å; Y51-L90 HydrophobicContact CG-CB 4.2Å; Y51-V94 HydrophobicContact CD2-CG2 3.85Å; Y51-V94 HydrophobicContact CE2-CG2 3.48Å; Y51-V94 VanDerWaalsContact CE2-CG2 3.48Å; Y51-F130 AromaticContact CE2-CE1 3.78Å; Y51-F130 HydrophobicContact CE2-CE1 3.78Å; Y51-F130 HydrophobicContact CE2-CZ 4.12Å
52	K	93.4	Very high	93.4	Very high	133 Å²	133	57.4 Å²	57.4	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-60.1	-35.1	176.5	-72.9	172.1	-175.9	165.6	0	112.6	E48 A49 K56	E48-K52 WeakPolarHBondContact O-CB 3.33Å; E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 3.37Å; A49-K52 PolarHBondContact O-N 3.25Å; K52-K56 WeakPolarHBondContact O-CG 3.45Å
53	F	93.2	Very high	93.4	Very high	59 Å²	59	58 Å²	58	26%	0.259	28%	0.279	S	S	.	.	H	α-helix	trans	-69.6	-45.8	177	-178.9	-104.8	0	0	0	111.8	A28 A49 L50 Y51 N55 K56 N60 L64	A28-F53 HydrophobicContact CB-CD1 4.21Å; A28-F53 HydrophobicContact CB-CE1 3.87Å; A28-F53 HydrophobicContact CB-CZ 4.16Å; A49-F53 VanDerWaalsContact O-CB 3.3Å; A49-F53 WeakPolarHBondContact O-CB 3.45Å; A49-F53 PolarHBondContact O-N 2.76Å; L50-F53 PolarHBondContact O-N 2.84Å; Y51-F53 VanDerWaalsContact C-N 3.26Å; Y51-F53 PolarHBondContact O-N 3.49Å; F53-N55 VanDerWaalsContact C-N 3.31Å; F53-N55 PolarHBondContact O-N 3.26Å; F53-K56 PolarHBondContact O-N 2.87Å; F53-N60 HydrophobicContact CD1-CB 3.92Å; F53-N60 HydrophobicContact CE1-CB 3.57Å; F53-N60 HydrophobicContact CE2-CB 4.38Å; F53-N60 HydrophobicContact CG-CB 4.47Å; F53-N60 HydrophobicContact CZ-CB 3.82Å; F53-N60 VanDerWaalsContact CZ-CG 3.45Å; F53-N60 WeakPolarHBondContact CZ-OD1 3.45Å; F53-N60 WeakPolarHBondContact O-CB 3.47Å; F53-N60 PolarHBondContact O-ND2 2.97Å; F53-L64 HydrophobicContact CD1-CD1 4.01Å; F53-L64 HydrophobicContact CD1-CD2 3.93Å; F53-L64 HydrophobicContact CD1-CG 3.93Å; F53-L64 HydrophobicContact CE1-CD2 4.07Å; F53-L64 HydrophobicContact CE1-CG 4.09Å
54	S	93.2	Very high	93.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-32.2	-179.6	71.9	0	0	0	0	113.3	L50 Y51 K56 K61 V94	L50-S54 WeakPolarHBondContact O-CB 3.14Å; L50-S54 PolarHBondContact O-N 3.04Å; L50-S54 PolarHBondContact O-OG 2.89Å; Y51-S54 PolarHBondContact O-N 3.13Å; Y51-S54 PolarHBondContact O-OG 3.16Å; S54-K56 VanDerWaalsContact C-N 3.28Å; S54-K56 PolarHBondContact O-N 3.45Å; S54-K61 WeakPolarHBondContact O-CE 3.38Å; S54-K61 VanDerWaalsContact O-CG 3.3Å; S54-K61 WeakPolarHBondContact O-CG 3.48Å; S54-V94 WeakPolarHBondContact OG-CG1 3.39Å
55	N	91.8	Very high	93.4	Very high	82 Å²	82	57.2 Å²	57.2	44%	0.439	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.9	178.3	-82	-26.3	0	0	0	114.6	Y51 F53 V94	Y51-N55 WeakPolarHBondContact CE1-ND2 3.44Å; Y51-N55 WeakPolarHBondContact CE2-ND2 3.09Å; Y51-N55 PolarHBondContact O-N 3.14Å; Y51-N55 VanDerWaalsContact O-N 3.1Å; Y51-N55 PolarHBondContact OH-ND2 3.01Å; F53-N55 VanDerWaalsContact C-N 3.31Å; F53-N55 PolarHBondContact O-N 3.26Å; N55-V94 WeakPolarHBondContact OD1-CG1 3.39Å; N55-V94 WeakPolarHBondContact OD1-CG2 3.47Å
56	K	92.4	Very high	93.5	Very high	162 Å²	162	55.3 Å²	55.3	70%	0.704	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-34.1	-176.8	-72.5	176	-177.5	-178.5	0	113.6	K52 F53 S54	K52-K56 WeakPolarHBondContact O-CG 3.45Å; F53-K56 PolarHBondContact O-N 2.87Å; S54-K56 VanDerWaalsContact C-N 3.28Å; S54-K56 PolarHBondContact O-N 3.45Å
57	S	92.2	Very high	93.5	Very high	36 Å²	36	57.7 Å²	57.7	25%	0.252	29%	0.293	S	S	.	.			trans	-165	159.6	178.3	73.3	0	0	0	0	112.1	E59 N60 K61	S57-E59 VanDerWaalsContact C-N 3.28Å; S57-E59 WeakPolarHBondContact CB-OE2 3.47Å; S57-E59 PolarHBondContact O-N 3.12Å; S57-E59 PolarHBondContact OG-OE2 3.49Å; S57-N60 WeakPolarHBondContact O-CB 3.41Å; S57-N60 PolarHBondContact O-N 3.3Å; S57-N60 VanDerWaalsContact OG-CG 3.31Å; S57-N60 PolarHBondContact OG-N 2.99Å; S57-N60 VanDerWaalsContact OG-N 3.16Å; S57-N60 PolarHBondContact OG-OD1 2.96Å; S57-K61 PolarHBondContact O-N 2.93Å
58	D	92.2	Very high	93.4	Very high	74 Å²	74	61.9 Å²	61.9	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-69.7	-26.3	174.1	-77	-16.4	0	0	0	112.3	N60 K61 K62	D58-N60 VanDerWaalsContact C-N 3.31Å; D58-N60 PolarHBondContact O-N 3.49Å; D58-K61 WeakPolarHBondContact O-CB 3.38Å; D58-K61 PolarHBondContact O-N 3.41Å; D58-K61 WeakPolarHBondContact OD1-CD 3.35Å; D58-K61 WeakPolarHBondContact OD1-CE 3.26Å; D58-K61 IonicContact OD1-NZ 2.69Å; D58-K61 PolarHBondContact OD1-NZ 2.86Å; D58-K62 WeakPolarHBondContact O-CG 3.31Å; D58-K62 PolarHBondContact O-N 2.96Å
59	E	92.7	Very high	93.5	Very high	127 Å²	127	58.4 Å²	58.4	59%	0.593	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-40.8	171.1	-67.4	68.2	-146.6	0	0	111.3	S57 K62 A63	S57-E59 VanDerWaalsContact C-N 3.28Å; S57-E59 WeakPolarHBondContact CB-OE2 3.47Å; S57-E59 PolarHBondContact O-N 3.12Å; S57-E59 PolarHBondContact OG-OE2 3.49Å; E59-K62 PolarHBondContact O-N 2.79Å; E59-A63 WeakPolarHBondContact O-CB 3.08Å; E59-A63 PolarHBondContact O-N 2.9Å
60	N	93.6	Very high	93.6	Very high	35 Å²	35	57 Å²	57	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-40.9	176.8	-70.9	-4.9	0	0	0	111.2	F53 S57 D58 A63 L64	F53-N60 HydrophobicContact CD1-CB 3.92Å; F53-N60 HydrophobicContact CE1-CB 3.57Å; F53-N60 HydrophobicContact CE2-CB 4.38Å; F53-N60 HydrophobicContact CG-CB 4.47Å; F53-N60 HydrophobicContact CZ-CB 3.82Å; F53-N60 VanDerWaalsContact CZ-CG 3.45Å; F53-N60 WeakPolarHBondContact CZ-OD1 3.45Å; F53-N60 WeakPolarHBondContact O-CB 3.47Å; F53-N60 PolarHBondContact O-ND2 2.97Å; S57-N60 WeakPolarHBondContact O-CB 3.41Å; S57-N60 PolarHBondContact O-N 3.3Å; S57-N60 VanDerWaalsContact OG-CG 3.31Å; S57-N60 PolarHBondContact OG-N 2.99Å; S57-N60 VanDerWaalsContact OG-N 3.16Å; S57-N60 PolarHBondContact OG-OD1 2.96Å; D58-N60 VanDerWaalsContact C-N 3.31Å; D58-N60 PolarHBondContact O-N 3.49Å; N60-A63 PolarHBondContact O-N 3.12Å; N60-L64 WeakPolarHBondContact O-CG 3.28Å; N60-L64 PolarHBondContact O-N 2.9Å
61	K	95.4	Very high	93.5	Very high	28 Å²	28	62.1 Å²	62.1	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-46.4	174	-60.6	178.2	-168.5	166.9	0	111.2	S54 S57 D58 A63 L64 I65 V94 L95 S97 L98	S54-K61 WeakPolarHBondContact O-CE 3.38Å; S54-K61 VanDerWaalsContact O-CG 3.3Å; S54-K61 WeakPolarHBondContact O-CG 3.48Å; S57-K61 PolarHBondContact O-N 2.93Å; D58-K61 WeakPolarHBondContact O-CB 3.38Å; D58-K61 PolarHBondContact O-N 3.41Å; D58-K61 WeakPolarHBondContact OD1-CD 3.35Å; D58-K61 WeakPolarHBondContact OD1-CE 3.26Å; D58-K61 IonicContact OD1-NZ 2.69Å; D58-K61 PolarHBondContact OD1-NZ 2.86Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.32Å; K61-L64 PolarHBondContact O-N 2.76Å; K61-I65 VanDerWaalsContact O-CG1 3.32Å; K61-I65 WeakPolarHBondContact O-CG1 3.24Å; K61-I65 PolarHBondContact O-N 3.31Å; K61-V94 HydrophobicContact CD-CG1 4.21Å; K61-V94 HydrophobicContact CG-CG1 4.45Å; K61-L95 HydrophobicContact CB-CD2 3.71Å; K61-L95 HydrophobicContact CG-CD2 4.03Å; K61-S97 PolarHBondContact NZ-OG 3.42Å; K61-S97 VanDerWaalsContact NZ-OG 3.16Å; K61-L98 HydrophobicContact CB-CD1 3.49Å; K61-L98 VanDerWaalsContact CB-CD1 3.49Å; K61-L98 HydrophobicContact CB-CG 4.33Å; K61-L98 HydrophobicContact CD-CD1 4.34Å; K61-L98 HydrophobicContact CD-CG 4.33Å
62	K	94.5	Very high	93.5	Very high	117 Å²	117	61.8 Å²	61.8	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-41.9	176	-70.8	171.7	-174.5	169.7	0	111.8	D58 E59 I65 S66 L98	D58-K62 WeakPolarHBondContact O-CG 3.31Å; D58-K62 PolarHBondContact O-N 2.96Å; E59-K62 PolarHBondContact O-N 2.79Å; K62-I65 PolarHBondContact O-N 2.93Å; K62-S66 PolarHBondContact O-N 2.94Å; K62-L98 HydrophobicContact CG-CD1 3.78Å
63	A	93.1	Very high	93.5	Very high	40 Å²	40	55.4 Å²	55.4	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.9	0	0	0	0	0	111.4	E59 N60 K61 I65 S66 L67	E59-A63 WeakPolarHBondContact O-CB 3.08Å; E59-A63 PolarHBondContact O-N 2.9Å; N60-A63 PolarHBondContact O-N 3.12Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.32Å; A63-I65 PolarHBondContact O-N 3.25Å; A63-S66 PolarHBondContact O-N 3.01Å; A63-S66 VanDerWaalsContact O-N 3.16Å; A63-S66 PolarHBondContact O-OG 3.38Å; A63-L67 WeakPolarHBondContact O-CG 3.44Å; A63-L67 PolarHBondContact O-N 2.92Å
64	L	94.2	Very high	93.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-40.7	176.3	-67.3	-176.6	0	0	0	112.7	A28 V32 L50 F53 N60 K61 S66 L67 I69 L95	A28-L64 HydrophobicContact CB-CD2 3.91Å; V32-L64 HydrophobicContact CG2-CD2 4.23Å; L50-L64 HydrophobicContact CD2-CD1 4.32Å; L50-L64 HydrophobicContact CD2-CD2 3.58Å; F53-L64 HydrophobicContact CD1-CD1 4.01Å; F53-L64 HydrophobicContact CD1-CD2 3.93Å; F53-L64 HydrophobicContact CD1-CG 3.93Å; F53-L64 HydrophobicContact CE1-CD2 4.07Å; F53-L64 HydrophobicContact CE1-CG 4.09Å; N60-L64 WeakPolarHBondContact O-CG 3.28Å; N60-L64 PolarHBondContact O-N 2.9Å; K61-L64 PolarHBondContact O-N 2.76Å; L64-S66 VanDerWaalsContact C-N 3.28Å; L64-S66 PolarHBondContact O-N 2.92Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 3.32Å; L64-L67 VanDerWaalsContact O-N 3.08Å; L64-I69 HydrophobicContact CB-CB 4.48Å; L64-I69 HydrophobicContact CB-CD1 4.1Å; L64-I69 HydrophobicContact CB-CG2 4.02Å; L64-I69 HydrophobicContact CD1-CD1 3.97Å; L64-I69 HydrophobicContact CD2-CD1 4.21Å; L64-I69 HydrophobicContact CG-CD1 4.32Å; L64-I69 WeakPolarHBondContact O-CB 3.16Å; L64-I69 WeakPolarHBondContact O-CG2 3.3Å; L64-I69 PolarHBondContact O-N 3.04Å; L64-L95 HydrophobicContact CB-CD2 4.3Å; L64-L95 HydrophobicContact CD1-CD2 4.33Å
65	I	94.2	Very high	93.5	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-40.4	175.4	-67.5	166.5	0	0	0	110.8	K61 K62 A63 L67 N68 L95 L98 A101 I104	K61-I65 VanDerWaalsContact O-CG1 3.32Å; K61-I65 WeakPolarHBondContact O-CG1 3.24Å; K61-I65 PolarHBondContact O-N 3.31Å; K62-I65 PolarHBondContact O-N 2.93Å; A63-I65 PolarHBondContact O-N 3.25Å; I65-L67 PolarHBondContact O-N 3.34Å; I65-N68 PolarHBondContact O-N 3.36Å; I65-L95 HydrophobicContact CG1-CD2 4.43Å; I65-L98 HydrophobicContact CD1-CB 4.14Å; I65-L98 HydrophobicContact CD1-CD1 3.59Å; I65-L98 HydrophobicContact CD1-CG 4.46Å; I65-A101 HydrophobicContact CD1-CB 3.55Å; I65-A101 HydrophobicContact CG1-CB 4.19Å; I65-I104 HydrophobicContact CG2-CD1 3.68Å
66	S	93.1	Very high	93.6	Very high	89 Å²	89	54.1 Å²	54.1	62%	0.622	28%	0.282	S	S	*	.	H	α-helix	trans	-65.5	-18.8	177	75.8	0	0	0	0	114.1	K62 A63 L64 N68	K62-S66 PolarHBondContact O-N 2.94Å; A63-S66 PolarHBondContact O-N 3.01Å; A63-S66 VanDerWaalsContact O-N 3.16Å; A63-S66 PolarHBondContact O-OG 3.38Å; L64-S66 VanDerWaalsContact C-N 3.28Å; L64-S66 PolarHBondContact O-N 2.92Å; S66-N68 VanDerWaalsContact C-N 3.28Å
67	L	93.4	Very high	93.7	Very high	50 Å²	50	46.6 Å²	46.6	26%	0.262	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	14	174.5	-61.9	172.9	0	0	0	112.9	A28 E29 V32 A63 L64 I65 I69	A28-L67 HydrophobicContact CB-CD1 4.46Å; E29-L67 HydrophobicContact CG-CD1 3.92Å; E29-L67 HydrophobicContact CG-CD2 3.94Å; V32-L67 HydrophobicContact CG2-CB 4.39Å; V32-L67 HydrophobicContact CG2-CD1 4.25Å; A63-L67 WeakPolarHBondContact O-CG 3.44Å; A63-L67 PolarHBondContact O-N 2.92Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 3.32Å; L64-L67 VanDerWaalsContact O-N 3.08Å; I65-L67 PolarHBondContact O-N 3.34Å; L67-I69 PolarHBondContact O-N 3.07Å; L67-I69 VanDerWaalsContact O-N 3.12Å
68	N	93.9	Very high	93.7	Very high	88 Å²	88	50.7 Å²	50.7	47%	0.471	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	23	-178.2	-63.1	-22.3	0	0	0	114.4	I65 S66 L70 E71 Y72	I65-N68 PolarHBondContact O-N 3.36Å; S66-N68 VanDerWaalsContact C-N 3.28Å; N68-L70 PolarHBondContact O-N 2.82Å; N68-E71 PolarHBondContact O-N 3.4Å; N68-Y72 HydrophobicContact CB-CE2 4.22Å; N68-Y72 VanDerWaalsContact O-CD2 3.28Å; N68-Y72 WeakPolarHBondContact O-CD2 3.25Å
69	I	94.8	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-48.6	-34.8	-174	-168.4	174.5	0	0	0	114.1	V32 L35 L50 L64 L67 E71 Y72 L73 V91 L95	V32-I69 HydrophobicContact CG2-CB 4.37Å; V32-I69 HydrophobicContact CG2-CD1 4.13Å; V32-I69 HydrophobicContact CG2-CG1 4.14Å; L35-I69 HydrophobicContact CD1-CG1 4.19Å; L50-I69 HydrophobicContact CB-CD1 4.41Å; L50-I69 HydrophobicContact CD1-CD1 3.97Å; L50-I69 HydrophobicContact CD2-CD1 4.11Å; L50-I69 HydrophobicContact CG-CD1 4.39Å; L64-I69 HydrophobicContact CB-CB 4.48Å; L64-I69 HydrophobicContact CB-CD1 4.1Å; L64-I69 HydrophobicContact CB-CG2 4.02Å; L64-I69 HydrophobicContact CD1-CD1 3.97Å; L64-I69 HydrophobicContact CD2-CD1 4.21Å; L64-I69 HydrophobicContact CG-CD1 4.32Å; L64-I69 WeakPolarHBondContact O-CB 3.16Å; L64-I69 WeakPolarHBondContact O-CG2 3.3Å; L64-I69 PolarHBondContact O-N 3.04Å; L67-I69 PolarHBondContact O-N 3.07Å; L67-I69 VanDerWaalsContact O-N 3.12Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 2.92Å; I69-Y72 WeakPolarHBondContact O-CB 3.23Å; I69-Y72 PolarHBondContact O-N 2.67Å; I69-L73 HydrophobicContact CD1-CD1 4.25Å; I69-L73 HydrophobicContact CG1-CD1 3.9Å; I69-L73 HydrophobicContact CG1-CG 4.06Å; I69-L73 WeakPolarHBondContact O-CG 3.43Å; I69-L73 PolarHBondContact O-N 2.99Å; I69-V91 HydrophobicContact CD1-CG1 3.91Å; I69-L95 HydrophobicContact CD1-CD1 4.33Å; I69-L95 HydrophobicContact CG2-CD1 3.46Å; I69-L95 VanDerWaalsContact CG2-CD1 3.46Å
70	L	94.3	Very high	93.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-34.7	-177.5	-63.7	170.5	0	0	0	112.1	N68 Y72 L73 Q74 Y92 L95 A101 I104 I105 L108	N68-L70 PolarHBondContact O-N 2.82Å; L70-Y72 VanDerWaalsContact C-N 3.33Å; L70-L73 PolarHBondContact O-N 3.23Å; L70-Q74 PolarHBondContact O-N 3.48Å; L70-Q74 VanDerWaalsContact O-N 3.09Å; L70-Y92 HydrophobicContact CD2-CD1 3.87Å; L70-Y92 HydrophobicContact CD2-CE1 3.79Å; L70-Y92 PolarHBondContact O-OH 2.86Å; L70-L95 HydrophobicContact CD2-CB 4.33Å; L70-L95 HydrophobicContact CD2-CD1 3.97Å; L70-A101 HydrophobicContact CD1-CB 4.06Å; L70-I104 HydrophobicContact CB-CG2 4.25Å; L70-I104 HydrophobicContact CD1-CB 3.85Å; L70-I104 HydrophobicContact CD1-CD1 4.38Å; L70-I104 HydrophobicContact CD1-CG2 3.75Å; L70-I105 HydrophobicContact CD1-CG1 3.89Å; L70-I105 HydrophobicContact CD2-CD1 4.19Å; L70-I105 HydrophobicContact CD2-CG1 4.04Å; L70-I105 HydrophobicContact CG-CG1 4.49Å; L70-L108 HydrophobicContact CB-CD1 4.34Å
71	E	93.3	Very high	93.6	Very high	108 Å²	108	52 Å²	52	51%	0.505	26%	0.264	S	S	.	.	H	α-helix	trans	-70.6	-31.6	174.9	-64.3	178.5	-175.4	0	0	111.9	N68 I69 P75 L108	N68-E71 PolarHBondContact O-N 3.4Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 2.92Å; E71-P75 VanDerWaalsContact O-CD 3.24Å; E71-P75 WeakPolarHBondContact O-CD 3.34Å; E71-L108 HydrophobicContact CG-CD2 4.05Å
72	Y	93.9	Very high	93.5	Very high	53 Å²	53	55.3 Å²	55.3	21%	0.208	28%	0.276	C	S	.	.	H	α-helix	trans	-75.4	-32.7	176.2	-68.1	-103.4	0	0	0	112.2	V32 K36 N68 I69 L70 P75	V32-Y72 HydrophobicContact CG1-CD1 4.37Å; V32-Y72 HydrophobicContact CG1-CD2 4.06Å; V32-Y72 HydrophobicContact CG1-CE2 4.29Å; V32-Y72 HydrophobicContact CG1-CG 4.16Å; K36-Y72 HydrophobicContact CD-CD1 3.92Å; K36-Y72 HydrophobicContact CD-CE1 3.57Å; K36-Y72 VanDerWaalsContact CE-CD1 3.48Å; K36-Y72 HydrophobicContact CG-CD1 3.84Å; K36-Y72 HydrophobicContact CG-CE1 4.03Å; K36-Y72 PolarHBondContact NZ-OH 3.3Å; N68-Y72 HydrophobicContact CB-CE2 4.22Å; N68-Y72 VanDerWaalsContact O-CD2 3.28Å; N68-Y72 WeakPolarHBondContact O-CD2 3.25Å; I69-Y72 WeakPolarHBondContact O-CB 3.23Å; I69-Y72 PolarHBondContact O-N 2.67Å; L70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-P75 WeakPolarHBondContact O-CD 3.46Å; Y72-P75 WeakPolarHBondContact O-CG 3.06Å
73	L	94.7	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-77.2	-28.7	177.1	-67.8	170.2	0	0	0	112.3	L35 I69 L70 L76 I77 A88 V91 Y92	L35-L73 HydrophobicContact CD1-CD2 3.9Å; L35-L73 HydrophobicContact CD1-CG 4.26Å; L35-L73 HydrophobicContact CD2-CD2 4.49Å; I69-L73 HydrophobicContact CD1-CD1 4.25Å; I69-L73 HydrophobicContact CG1-CD1 3.9Å; I69-L73 HydrophobicContact CG1-CG 4.06Å; I69-L73 WeakPolarHBondContact O-CG 3.43Å; I69-L73 PolarHBondContact O-N 2.99Å; L70-L73 PolarHBondContact O-N 3.23Å; L73-L76 HydrophobicContact CD2-CD1 4.48Å; L73-L76 WeakPolarHBondContact O-CA 3.15Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 3.44Å; L73-I77 PolarHBondContact O-N 3.07Å; L73-I77 VanDerWaalsContact O-N 3.15Å; L73-A88 HydrophobicContact CD2-CB 4.03Å; L73-V91 HydrophobicContact CD1-CB 3.87Å; L73-V91 HydrophobicContact CD1-CG1 3.66Å; L73-V91 HydrophobicContact CD2-CB 4.34Å; L73-Y92 HydrophobicContact CB-CD2 3.64Å; L73-Y92 HydrophobicContact CB-CE2 3.29Å; L73-Y92 HydrophobicContact CD1-CD2 4.1Å; L73-Y92 HydrophobicContact CD1-CE2 4.43Å; L73-Y92 HydrophobicContact CG-CD2 4.47Å; L73-Y92 HydrophobicContact CG-CE2 4.48Å
74	Q	93.1	Very high	93.5	Very high	24 Å²	24	50.2 Å²	50.2	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-53.2	-45.7	-177.8	-168.9	-175.4	6.1	0	0	114.9	L70 L76 I77 Y92 L108 P109	L70-Q74 PolarHBondContact O-N 3.48Å; L70-Q74 VanDerWaalsContact O-N 3.09Å; Q74-L76 VanDerWaalsContact C-N 3.27Å; Q74-L76 PolarHBondContact O-N 3.38Å; Q74-I77 WeakPolarHBondContact O-CG1 3.42Å; Q74-Y92 WeakPolarHBondContact CA-OH 3.29Å; Q74-Y92 WeakPolarHBondContact CB-OH 3.45Å; Q74-Y92 PolarHBondContact N-OH 3.27Å; Q74-L108 HydrophobicContact CB-CD1 4.37Å; Q74-L108 HydrophobicContact CG-CD1 4.47Å; Q74-P109 VanDerWaalsContact NE2-CD 3.31Å; Q74-P109 PolarHBondContact NE2-O 3.44Å
75	P	93	Very high	93.6	Very high	81 Å²	81	51.8 Å²	51.8	53%	0.526	26%	0.257	S	S	.	.	H	α-helix	trans	-67.6	-30.4	174.8	25.3	-34.3	0	0	0	112.3	E71 Y72 I77 R78 D79	E71-P75 VanDerWaalsContact O-CD 3.24Å; E71-P75 WeakPolarHBondContact O-CD 3.34Å; Y72-P75 WeakPolarHBondContact O-CD 3.46Å; Y72-P75 WeakPolarHBondContact O-CG 3.06Å; P75-I77 VanDerWaalsContact C-N 3.34Å; P75-I77 PolarHBondContact O-N 3Å; P75-R78 PolarHBondContact O-N 2.56Å; P75-R78 VanDerWaalsContact O-N 3.12Å; P75-D79 PolarHBondContact O-N 3.09Å
76	L	94.5	Very high	93.6	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-25.1	-176.1	-58.7	-173	0	0	0	113.4	L35 K43 L73 Q74 R78 D79 V84 K85 A88	L35-L76 HydrophobicContact CB-CD1 4.04Å; L35-L76 HydrophobicContact CD2-CD1 3.85Å; L35-L76 HydrophobicContact CG-CD1 4.41Å; K43-L76 HydrophobicContact CD-CD2 3.66Å; L73-L76 HydrophobicContact CD2-CD1 4.48Å; L73-L76 WeakPolarHBondContact O-CA 3.15Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 3.44Å; Q74-L76 VanDerWaalsContact C-N 3.27Å; Q74-L76 PolarHBondContact O-N 3.38Å; L76-R78 PolarHBondContact O-N 3.47Å; L76-D79 VanDerWaalsContact O-CB 3.24Å; L76-D79 WeakPolarHBondContact O-CB 3.48Å; L76-D79 PolarHBondContact O-N 3.24Å; L76-V84 HydrophobicContact CB-CG1 4.28Å; L76-V84 HydrophobicContact CD2-CG1 4.08Å; L76-K85 WeakPolarHBondContact O-CA 3.37Å; L76-K85 WeakPolarHBondContact O-CG 3.47Å; L76-A88 HydrophobicContact CB-CB 3.61Å; L76-A88 HydrophobicContact CD1-CB 4.46Å
77	I	93.4	Very high	93.7	Very high	3 Å²	3	50 Å²	50	2%	0.015	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14	172.5	61.9	158	0	0	0	112.5	L73 Q74 P75 A88 V89 Y92 I111 D114 L118	L73-I77 PolarHBondContact O-N 3.07Å; L73-I77 VanDerWaalsContact O-N 3.15Å; Q74-I77 WeakPolarHBondContact O-CG1 3.42Å; P75-I77 VanDerWaalsContact C-N 3.34Å; P75-I77 PolarHBondContact O-N 3Å; I77-A88 HydrophobicContact CG2-CB 4.28Å; I77-V89 HydrophobicContact CB-CG2 4.46Å; I77-V89 HydrophobicContact CG2-CG2 3.85Å; I77-Y92 HydrophobicContact CG2-CD2 3.61Å; I77-Y92 HydrophobicContact CG2-CE2 3.63Å; I77-I111 HydrophobicContact CD1-CD1 3.71Å; I77-D114 HydrophobicContact CD1-CB 3.73Å; I77-L118 HydrophobicContact CB-CD1 4.04Å
78	R	91.9	Very high	93.9	Very high	123 Å²	123	47.6 Å²	47.6	46%	0.464	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.4	173.8	-57.7	-177.7	-175.4	151	8.2	113.1	P75 L76 P109 D114	P75-R78 PolarHBondContact O-N 2.56Å; P75-R78 VanDerWaalsContact O-N 3.12Å; L76-R78 PolarHBondContact O-N 3.47Å; R78-P109 PolarHBondContact NH2-O 3.46Å; R78-D114 IonicContact CZ-OD1 3.21Å; R78-D114 IonicContact CZ-OD2 3.22Å; R78-D114 IonicContact NE-OD1 3.81Å; R78-D114 PolarHBondContact NE-OD1 2.92Å; R78-D114 IonicContact NE-OD2 2.76Å; R78-D114 PolarHBondContact NE-OD2 3.4Å; R78-D114 IonicContact NH2-OD1 2.63Å; R78-D114 PolarHBondContact NH2-OD1 2.98Å; R78-D114 IonicContact NH2-OD2 3Å; R78-D114 PolarHBondContact NH2-OD2 3.46Å
79	D	92.6	Very high	94	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.144	20%	0.201	C	C	.	.			trans	-62.5	148	-176.2	-160.2	-70.5	0	0	0	111.5	K43 P75 L76 N81 V84 K85	K43-D79 IonicContact NZ-OD1 2.75Å; K43-D79 IonicContact NZ-OD2 3.35Å; K43-D79 PolarHBondContact NZ-OD2 3.48Å; P75-D79 PolarHBondContact O-N 3.09Å; L76-D79 VanDerWaalsContact O-CB 3.24Å; L76-D79 WeakPolarHBondContact O-CB 3.48Å; L76-D79 PolarHBondContact O-N 3.24Å; D79-N81 VanDerWaalsContact C-N 3.25Å; D79-N81 PolarHBondContact O-N 3.07Å; D79-N81 WeakPolarHBondContact OD1-CB 3.28Å; D79-N81 PolarHBondContact OD1-N 2.75Å; D79-V84 HydrophobicContact CB-CB 4.27Å; D79-V84 HydrophobicContact CB-CG1 4.01Å; D79-K85 HydrophobicContact CB-CG 3.96Å; D79-K85 WeakPolarHBondContact O-CD 3.33Å; D79-K85 WeakPolarHBondContact O-CE 3.41Å; D79-K85 WeakPolarHBondContact O-CG 3.33Å
80	E	91	Very high	94.1	Very high	191 Å²	191	44.5 Å²	44.5	89%	0.893	21%	0.207	S	C	*	.	S	Bend	trans	-68.1	-32.2	176.7	-64.4	-174.4	174.5	0	0	110.9	R82	E80-R82 PolarHBondContact O-N 2.72Å
81	N	92.9	Very high	94.1	Very high	45 Å²	45	44.4 Å²	44.4	24%	0.241	21%	0.207	C	C	.	.			trans	-77.1	111.4	178.3	-169.2	-42.1	0	0	0	110.9	D40 D79 V83 V84 K85	D40-N81 WeakPolarHBondContact CB-ND2 3.4Å; D40-N81 WeakPolarHBondContact OD2-CB 3.17Å; D40-N81 PolarHBondContact OD2-ND2 3.02Å; D79-N81 VanDerWaalsContact C-N 3.25Å; D79-N81 PolarHBondContact O-N 3.07Å; D79-N81 WeakPolarHBondContact OD1-CB 3.28Å; D79-N81 PolarHBondContact OD1-N 2.75Å; N81-V83 PolarHBondContact O-N 2.89Å; N81-V83 WeakPolarHBondContact OD1-CB 3.39Å; N81-V83 PolarHBondContact OD1-N 3.17Å; N81-V84 HydrophobicContact CB-CB 4.1Å; N81-V84 HydrophobicContact CB-CG2 3.83Å; N81-V84 PolarHBondContact O-N 3.12Å; N81-V84 VanDerWaalsContact O-N 3.1Å; N81-V84 PolarHBondContact OD1-N 2.95Å; N81-K85 PolarHBondContact O-N 2.93Å
82	R	93.1	Very high	94.1	Very high	97 Å²	97	39.3 Å²	39.3	37%	0.366	18%	0.183	S	C	.	.	H	α-helix	trans	-59.1	-28.6	179.9	-65.3	179.4	57.3	-171.2	-8.7	114	E80 R86 E122 E123 F124	E80-R82 PolarHBondContact O-N 2.72Å; R82-R86 VanDerWaalsContact O-CB 3.32Å; R82-R86 WeakPolarHBondContact O-CB 3.42Å; R82-R86 PolarHBondContact O-N 3.37Å; R82-E122 PolarHBondContact NH1-O 3.28Å; R82-E122 PolarHBondContact NH2-O 2.95Å; R82-E123 IonicContact NE-OE2 3.16Å; R82-F124 HydrophobicContact CB-CD2 4.44Å; R82-F124 HydrophobicContact CB-CE2 3.68Å; R82-F124 HydrophobicContact CB-CZ 4.32Å
83	V	94.3	Very high	94.1	Very high	51 Å²	51	36.8 Å²	36.8	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-73.6	-41.5	177.7	-174.5	0	0	0	0	110.5	T44 N81 R86 N87	T44-V83 HydrophobicContact CG2-CG1 3.81Å; N81-V83 PolarHBondContact O-N 2.89Å; N81-V83 WeakPolarHBondContact OD1-CB 3.39Å; N81-V83 PolarHBondContact OD1-N 3.17Å; V83-R86 PolarHBondContact O-N 2.74Å; V83-N87 WeakPolarHBondContact O-CB 3.32Å; V83-N87 PolarHBondContact O-N 2.94Å
84	V	94.7	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-49	174.1	177.4	0	0	0	0	109.9	D40 K43 T44 L76 D79 N81 R86 N87 A88	D40-V84 HydrophobicContact CB-CG2 4.02Å; K43-V84 HydrophobicContact CB-CG1 4.04Å; K43-V84 HydrophobicContact CB-CG2 4.25Å; K43-V84 HydrophobicContact CD-CG1 4.21Å; T44-V84 WeakPolarHBondContact OG1-CG2 3.28Å; L76-V84 HydrophobicContact CB-CG1 4.28Å; L76-V84 HydrophobicContact CD2-CG1 4.08Å; D79-V84 HydrophobicContact CB-CB 4.27Å; D79-V84 HydrophobicContact CB-CG1 4.01Å; N81-V84 HydrophobicContact CB-CB 4.1Å; N81-V84 HydrophobicContact CB-CG2 3.83Å; N81-V84 PolarHBondContact O-N 3.12Å; N81-V84 VanDerWaalsContact O-N 3.1Å; N81-V84 PolarHBondContact OD1-N 2.95Å; V84-R86 PolarHBondContact O-N 2.9Å; V84-N87 PolarHBondContact O-N 2.98Å; V84-A88 WeakPolarHBondContact O-CB 3.42Å; V84-A88 PolarHBondContact O-N 3.08Å
85	K	94.7	Very high	94.3	Very high	32 Å²	32	36.2 Å²	36.2	14%	0.139	17%	0.171	C	C	.	.	H	α-helix	trans	-52.4	-56.3	174.4	-77.4	-169.3	-76	-179.1	0	111.9	L76 D79 N81 N87 A88 V89 L118 E123	L76-K85 WeakPolarHBondContact O-CA 3.37Å; L76-K85 WeakPolarHBondContact O-CG 3.47Å; D79-K85 HydrophobicContact CB-CG 3.96Å; D79-K85 WeakPolarHBondContact O-CD 3.33Å; D79-K85 WeakPolarHBondContact O-CE 3.41Å; D79-K85 WeakPolarHBondContact O-CG 3.33Å; N81-K85 PolarHBondContact O-N 2.93Å; K85-N87 VanDerWaalsContact C-N 3.34Å; K85-N87 PolarHBondContact O-N 3.23Å; K85-A88 PolarHBondContact O-N 2.87Å; K85-V89 VanDerWaalsContact O-CG2 3.29Å; K85-V89 WeakPolarHBondContact O-CG2 3.25Å; K85-V89 PolarHBondContact O-N 3.17Å; K85-L118 HydrophobicContact CD-CD2 4.17Å; K85-E123 WeakPolarHBondContact CE-OE1 3.31Å; K85-E123 IonicContact NZ-OE1 2.7Å; K85-E123 PolarHBondContact NZ-OE1 3.31Å
86	R	95.5	Very high	94.5	Very high	65 Å²	65	32.3 Å²	32.3	25%	0.245	15%	0.146	C	C	.	.	H	α-helix	trans	-51.9	-53.8	179	-177.2	-163.9	70.5	-175.5	2.8	110.7	R82 V83 V84 A88 V89 L90 F124 T126 T127	R82-R86 VanDerWaalsContact O-CB 3.32Å; R82-R86 WeakPolarHBondContact O-CB 3.42Å; R82-R86 PolarHBondContact O-N 3.37Å; V83-R86 PolarHBondContact O-N 2.74Å; V84-R86 PolarHBondContact O-N 2.9Å; R86-A88 VanDerWaalsContact C-N 3.33Å; R86-A88 PolarHBondContact O-N 3.37Å; R86-V89 PolarHBondContact O-N 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.49Å; R86-L90 PolarHBondContact O-N 3.03Å; R86-F124 HydrophobicContact CB-CD2 4.07Å; R86-F124 HydrophobicContact CG-CD2 4.33Å; R86-T126 VanDerWaalsContact CD-OG1 3.29Å; R86-T126 WeakPolarHBondContact CD-OG1 3.27Å; R86-T127 WeakPolarHBondContact CA-OG1 3.42Å; R86-T127 VanDerWaalsContact CB-OG1 3.31Å; R86-T127 WeakPolarHBondContact CB-OG1 3.46Å; R86-T127 WeakPolarHBondContact CG-OG1 3.5Å
87	N	95.7	Very high	94.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-33.7	-175.3	-73	7.7	0	0	0	112.5	T44 C47 E48 V83 V84 K85 L90 V91	T44-N87 VanDerWaalsContact CG2-ND2 3.29Å; T44-N87 WeakPolarHBondContact CG2-ND2 3.48Å; T44-N87 PolarHBondContact O-ND2 2.95Å; C47-N87 HydrophobicContact CB-CB 3.55Å; E48-N87 WeakPolarHBondContact CG-ND2 3.27Å; E48-N87 PolarHBondContact OE1-ND2 3.12Å; E48-N87 VanDerWaalsContact OE1-ND2 3.16Å; V83-N87 WeakPolarHBondContact O-CB 3.32Å; V83-N87 PolarHBondContact O-N 2.94Å; V84-N87 PolarHBondContact O-N 2.98Å; K85-N87 VanDerWaalsContact C-N 3.34Å; K85-N87 PolarHBondContact O-N 3.23Å; N87-L90 PolarHBondContact O-N 3.3Å; N87-V91 PolarHBondContact O-N 3.21Å
88	A	96.1	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-43.3	173	0	0	0	0	0	111.8	L73 L76 I77 V84 K85 R86 L90 V91 Y92	L73-A88 HydrophobicContact CD2-CB 4.03Å; L76-A88 HydrophobicContact CB-CB 3.61Å; L76-A88 HydrophobicContact CD1-CB 4.46Å; I77-A88 HydrophobicContact CG2-CB 4.28Å; V84-A88 WeakPolarHBondContact O-CB 3.42Å; V84-A88 PolarHBondContact O-N 3.08Å; K85-A88 PolarHBondContact O-N 2.87Å; R86-A88 VanDerWaalsContact C-N 3.33Å; R86-A88 PolarHBondContact O-N 3.37Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.92Å; A88-V91 PolarHBondContact O-N 2.88Å; A88-Y92 PolarHBondContact O-N 3.07Å
89	V	96.1	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-38.1	176.8	173.5	0	0	0	0	111.7	I77 K85 R86 V91 Y92 G93 L118 T127 F130 T131	I77-V89 HydrophobicContact CB-CG2 4.46Å; I77-V89 HydrophobicContact CG2-CG2 3.85Å; K85-V89 VanDerWaalsContact O-CG2 3.29Å; K85-V89 WeakPolarHBondContact O-CG2 3.25Å; K85-V89 PolarHBondContact O-N 3.17Å; R86-V89 PolarHBondContact O-N 3.25Å; V89-V91 VanDerWaalsContact C-N 3.28Å; V89-V91 PolarHBondContact O-N 3.16Å; V89-Y92 WeakPolarHBondContact O-CB 3.42Å; V89-Y92 PolarHBondContact O-N 2.75Å; V89-G93 PolarHBondContact O-N 2.84Å; V89-L118 HydrophobicContact CG2-CD1 3.6Å; V89-T127 HydrophobicContact CG2-CG2 4.26Å; V89-F130 HydrophobicContact CG1-CB 3.77Å; V89-T131 WeakPolarHBondContact CG1-OG1 3.31Å
90	L	96.5	Very high	94.9	Very high	23 Å²	23	33.6 Å²	33.6	12%	0.12	17%	0.173	C	C	.	.	H	α-helix	trans	-55.6	-44.5	175	-65.4	-176.5	0	0	0	111.7	Y51 R86 N87 A88 V94 F130	Y51-L90 HydrophobicContact CD2-CB 3.66Å; Y51-L90 HydrophobicContact CE2-CB 3.89Å; Y51-L90 HydrophobicContact CG-CB 4.2Å; R86-L90 WeakPolarHBondContact O-CG 3.49Å; R86-L90 PolarHBondContact O-N 3.03Å; N87-L90 PolarHBondContact O-N 3.3Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.92Å; L90-V94 WeakPolarHBondContact O-CG2 3.05Å; L90-V94 PolarHBondContact O-N 3.31Å; L90-F130 HydrophobicContact CB-CD1 4.36Å; L90-F130 HydrophobicContact CD2-CB 4.12Å; L90-F130 HydrophobicContact CD2-CD1 3.82Å; L90-F130 HydrophobicContact CD2-CD2 3.24Å; L90-F130 HydrophobicContact CD2-CE1 4.06Å; L90-F130 HydrophobicContact CD2-CE2 3.49Å; L90-F130 VanDerWaalsContact CD2-CE2 3.49Å; L90-F130 HydrophobicContact CD2-CG 3.43Å; L90-F130 VanDerWaalsContact CD2-CG 3.43Å; L90-F130 HydrophobicContact CD2-CZ 3.9Å; L90-F130 WeakPolarHBondContact O-CD1 3.34Å
91	V	96	Very high	95.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.3	-44.3	177.7	-174.4	0	0	0	0	110.7	C47 L50 I69 L73 N87 A88 V89 G93 V94 L95	C47-V91 WeakPolarHBondContact O-CG2 3.48Å; L50-V91 HydrophobicContact CB-CG1 4.48Å; L50-V91 HydrophobicContact CB-CG2 4.17Å; I69-V91 HydrophobicContact CD1-CG1 3.91Å; L73-V91 HydrophobicContact CD1-CB 3.87Å; L73-V91 HydrophobicContact CD1-CG1 3.66Å; L73-V91 HydrophobicContact CD2-CB 4.34Å; N87-V91 PolarHBondContact O-N 3.21Å; A88-V91 PolarHBondContact O-N 2.88Å; V89-V91 VanDerWaalsContact C-N 3.28Å; V89-V91 PolarHBondContact O-N 3.16Å; V91-G93 VanDerWaalsContact C-N 3.34Å; V91-G93 PolarHBondContact O-N 3.27Å; V91-V94 PolarHBondContact O-N 2.92Å; V91-L95 HydrophobicContact CG1-CD1 3.85Å; V91-L95 HydrophobicContact CG1-CG 4.24Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.15Å; V91-L95 PolarHBondContact O-N 2.87Å
92	Y	91.5	Very high	95.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-53.2	-50.2	175.1	-107.7	-71.8	0	0	0	112.2	L70 L73 Q74 I77 A88 V89 V94 L95 S96 I105 L108 I111	L70-Y92 HydrophobicContact CD2-CD1 3.87Å; L70-Y92 HydrophobicContact CD2-CE1 3.79Å; L70-Y92 PolarHBondContact O-OH 2.86Å; L73-Y92 HydrophobicContact CB-CD2 3.64Å; L73-Y92 HydrophobicContact CB-CE2 3.29Å; L73-Y92 HydrophobicContact CD1-CD2 4.1Å; L73-Y92 HydrophobicContact CD1-CE2 4.43Å; L73-Y92 HydrophobicContact CG-CD2 4.47Å; L73-Y92 HydrophobicContact CG-CE2 4.48Å; Q74-Y92 WeakPolarHBondContact CA-OH 3.29Å; Q74-Y92 WeakPolarHBondContact CB-OH 3.45Å; Q74-Y92 PolarHBondContact N-OH 3.27Å; I77-Y92 HydrophobicContact CG2-CD2 3.61Å; I77-Y92 HydrophobicContact CG2-CE2 3.63Å; A88-Y92 PolarHBondContact O-N 3.07Å; V89-Y92 WeakPolarHBondContact O-CB 3.42Å; V89-Y92 PolarHBondContact O-N 2.75Å; Y92-V94 PolarHBondContact O-N 2.81Å; Y92-L95 PolarHBondContact O-N 3.42Å; Y92-S96 WeakPolarHBondContact O-CB 3.38Å; Y92-S96 PolarHBondContact O-N 2.85Å; Y92-I105 HydrophobicContact CD1-CD1 3.97Å; Y92-I105 HydrophobicContact CD1-CG1 4.23Å; Y92-I105 HydrophobicContact CE1-CD1 4.2Å; Y92-I105 HydrophobicContact CE1-CG1 3.94Å; Y92-I105 HydrophobicContact CE1-CG2 4.39Å; Y92-L108 HydrophobicContact CE1-CD1 4.32Å; Y92-L108 WeakPolarHBondContact OH-CD1 3.4Å; Y92-I111 HydrophobicContact CE1-CD1 4.39Å
93	G	94.4	Very high	95.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-48.5	-178.9	0	0	0	0	0	112.2	V89 V91 L95 S96 T134	V89-G93 PolarHBondContact O-N 2.84Å; V91-G93 VanDerWaalsContact C-N 3.34Å; V91-G93 PolarHBondContact O-N 3.27Å; G93-L95 VanDerWaalsContact C-N 3.35Å; G93-L95 PolarHBondContact O-N 2.78Å; G93-S96 PolarHBondContact O-N 2.73Å; G93-S96 PolarHBondContact O-OG 3.33Å; G93-T134 WeakPolarHBondContact CA-OG1 3.48Å; G93-T134 PolarHBondContact N-OG1 3.38Å
94	V	96.1	Very high	95.2	Very high	12 Å²	12	21.2 Å²	21.2	7%	0.073	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-39.9	179.6	175.7	0	0	0	0	112	Y51 S54 N55 K61 L90 V91 Y92 S97 F130	Y51-V94 HydrophobicContact CD2-CG2 3.85Å; Y51-V94 HydrophobicContact CE2-CG2 3.48Å; Y51-V94 VanDerWaalsContact CE2-CG2 3.48Å; S54-V94 WeakPolarHBondContact OG-CG1 3.39Å; N55-V94 WeakPolarHBondContact OD1-CG1 3.39Å; N55-V94 WeakPolarHBondContact OD1-CG2 3.47Å; K61-V94 HydrophobicContact CD-CG1 4.21Å; K61-V94 HydrophobicContact CG-CG1 4.45Å; L90-V94 WeakPolarHBondContact O-CG2 3.05Å; L90-V94 PolarHBondContact O-N 3.31Å; V91-V94 PolarHBondContact O-N 2.92Å; Y92-V94 PolarHBondContact O-N 2.81Å; V94-S97 PolarHBondContact O-OG 3.12Å; V94-F130 HydrophobicContact CG2-CE1 3.96Å
95	L	97.1	Very high	95.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.1	-34.6	180	-67.5	179.8	0	0	0	112.3	K61 L64 I65 I69 L70 V91 Y92 G93 S97 L98 A101	K61-L95 HydrophobicContact CB-CD2 3.71Å; K61-L95 HydrophobicContact CG-CD2 4.03Å; L64-L95 HydrophobicContact CB-CD2 4.3Å; L64-L95 HydrophobicContact CD1-CD2 4.33Å; I65-L95 HydrophobicContact CG1-CD2 4.43Å; I69-L95 HydrophobicContact CD1-CD1 4.33Å; I69-L95 HydrophobicContact CG2-CD1 3.46Å; I69-L95 VanDerWaalsContact CG2-CD1 3.46Å; L70-L95 HydrophobicContact CD2-CB 4.33Å; L70-L95 HydrophobicContact CD2-CD1 3.97Å; V91-L95 HydrophobicContact CG1-CD1 3.85Å; V91-L95 HydrophobicContact CG1-CG 4.24Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.15Å; V91-L95 PolarHBondContact O-N 2.87Å; Y92-L95 PolarHBondContact O-N 3.42Å; G93-L95 VanDerWaalsContact C-N 3.35Å; G93-L95 PolarHBondContact O-N 2.78Å; L95-S97 PolarHBondContact O-N 2.97Å; L95-L98 PolarHBondContact O-N 2.79Å; L95-A101 HydrophobicContact CB-CB 4.39Å; L95-A101 WeakPolarHBondContact O-CB 3.32Å
96	S	95.9	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-14.5	-179.2	72	0	0	0	0	114.3	Y92 G93 L98 R102 H137	Y92-S96 WeakPolarHBondContact O-CB 3.38Å; Y92-S96 PolarHBondContact O-N 2.85Å; G93-S96 PolarHBondContact O-N 2.73Å; G93-S96 PolarHBondContact O-OG 3.33Å; S96-L98 PolarHBondContact O-N 3.43Å; S96-R102 WeakPolarHBondContact O-CG 3.49Å; S96-R102 PolarHBondContact O-NH1 3.47Å; S96-R102 VanDerWaalsContact O-NH1 3.16Å; S96-H137 WeakPolarHBondContact O-CB 3.33Å; S96-H137 PolarHBondContact OG-ND1 3.42Å
97	S	95.3	Very high	94.9	Very high	39 Å²	39	27.5 Å²	27.5	27%	0.273	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	172.4	81.8	0	0	0	0	112.6	K61 V94 L95 R102 H137	K61-S97 PolarHBondContact NZ-OG 3.42Å; K61-S97 VanDerWaalsContact NZ-OG 3.16Å; V94-S97 PolarHBondContact O-OG 3.12Å; L95-S97 PolarHBondContact O-N 2.97Å; S97-R102 PolarHBondContact O-NH1 3.05Å; S97-H137 PolarHBondContact N-ND1 3.4Å
98	L	96	Very high	94.8	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.073	15%	0.151	C	C	.	.	S	Bend	trans	-88.1	135.7	178.9	-65.5	-178.6	0	0	0	112.4	K61 K62 I65 L95 S96 S100 A101 R102	K61-L98 HydrophobicContact CB-CD1 3.49Å; K61-L98 VanDerWaalsContact CB-CD1 3.49Å; K61-L98 HydrophobicContact CB-CG 4.33Å; K61-L98 HydrophobicContact CD-CD1 4.34Å; K61-L98 HydrophobicContact CD-CG 4.33Å; K62-L98 HydrophobicContact CG-CD1 3.78Å; I65-L98 HydrophobicContact CD1-CB 4.14Å; I65-L98 HydrophobicContact CD1-CD1 3.59Å; I65-L98 HydrophobicContact CD1-CG 4.46Å; L95-L98 PolarHBondContact O-N 2.79Å; S96-L98 PolarHBondContact O-N 3.43Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.49Å; L98-A101 HydrophobicContact CB-CB 4.33Å; L98-A101 PolarHBondContact O-N 3.06Å; L98-A101 VanDerWaalsContact O-N 3.13Å; L98-R102 PolarHBondContact O-N 2.96Å; L98-R102 VanDerWaalsContact O-N 3.15Å
99	P	94.8	Very high	94.6	Very high	77 Å²	77	32 Å²	32	50%	0.5	18%	0.176	S	C	.	.	H	α-helix	trans	-55.9	-38.6	176	-21.3	28.1	0	0	0	114.1	A101 R102 S103	P99-A101 VanDerWaalsContact C-N 3.35Å; P99-A101 PolarHBondContact O-N 3.42Å; P99-R102 PolarHBondContact O-N 3.49Å; P99-S103 PolarHBondContact O-N 3.33Å; P99-S103 VanDerWaalsContact O-N 3.11Å
100	S	94.4	Very high	94.4	Very high	58 Å²	58	37.2 Å²	37.2	41%	0.406	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-39	178.4	52.2	0	0	0	0	112.6	L98 I104	L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.49Å; S100-I104 WeakPolarHBondContact O-CD1 3.42Å; S100-I104 WeakPolarHBondContact O-CG1 3.41Å; S100-I104 PolarHBondContact O-N 2.92Å
101	A	95.4	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-49.6	174.1	0	0	0	0	0	110.7	I65 L70 L95 L98 P99 S103 I104 I105	I65-A101 HydrophobicContact CD1-CB 3.55Å; I65-A101 HydrophobicContact CG1-CB 4.19Å; L70-A101 HydrophobicContact CD1-CB 4.06Å; L95-A101 HydrophobicContact CB-CB 4.39Å; L95-A101 WeakPolarHBondContact O-CB 3.32Å; L98-A101 HydrophobicContact CB-CB 4.33Å; L98-A101 PolarHBondContact O-N 3.06Å; L98-A101 VanDerWaalsContact O-N 3.13Å; P99-A101 VanDerWaalsContact C-N 3.35Å; P99-A101 PolarHBondContact O-N 3.42Å; A101-S103 VanDerWaalsContact C-N 3.29Å; A101-S103 PolarHBondContact O-N 3.49Å; A101-I104 PolarHBondContact O-N 2.97Å; A101-I105 HydrophobicContact CB-CD1 4.42Å; A101-I105 VanDerWaalsContact O-CG1 3.22Å; A101-I105 WeakPolarHBondContact O-CG1 3.45Å; A101-I105 PolarHBondContact O-N 3.33Å
102	R	95.5	Very high	94.1	Very high	23 Å²	23	36.5 Å²	36.5	9%	0.087	20%	0.201	C	C	.	.	H	α-helix	trans	-54.1	-45.1	179.7	-64.9	-170.1	-70	-96.1	14.2	112.9	S96 S97 L98 P99 I104 I105 R106 H137 L138 E141	S96-R102 WeakPolarHBondContact O-CG 3.49Å; S96-R102 PolarHBondContact O-NH1 3.47Å; S96-R102 VanDerWaalsContact O-NH1 3.16Å; S97-R102 PolarHBondContact O-NH1 3.05Å; L98-R102 PolarHBondContact O-N 2.96Å; L98-R102 VanDerWaalsContact O-N 3.15Å; P99-R102 PolarHBondContact O-N 3.49Å; R102-I104 VanDerWaalsContact C-N 3.27Å; R102-I104 PolarHBondContact O-N 2.69Å; R102-I105 PolarHBondContact O-N 2.73Å; R102-R106 WeakPolarHBondContact O-CG 3.49Å; R102-R106 PolarHBondContact O-N 3.43Å; R102-H137 WeakPolarHBondContact CD-O 3.39Å; R102-L138 HydrophobicContact CB-CD2 3.96Å; R102-L138 HydrophobicContact CG-CD2 4.05Å; R102-E141 IonicContact CZ-OE1 3.57Å; R102-E141 IonicContact NE-OE1 3.49Å; R102-E141 PolarHBondContact NE-OE1 3.35Å; R102-E141 IonicContact NH2-OE1 3.33Å
103	S	93	Very high	94.3	Very high	44 Å²	44	38.7 Å²	38.7	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-32.4	178.7	-158.3	0	0	0	0	113.2	P99 A101 K107	P99-S103 PolarHBondContact O-N 3.33Å; P99-S103 VanDerWaalsContact O-N 3.11Å; A101-S103 VanDerWaalsContact C-N 3.29Å; A101-S103 PolarHBondContact O-N 3.49Å; S103-K107 WeakPolarHBondContact O-CD 3.25Å; S103-K107 WeakPolarHBondContact O-CG 3.43Å
104	I	94.4	Very high	94.2	Very high	57 Å²	57	39.3 Å²	39.3	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-75.9	-47.9	173.9	-65	164.7	0	0	0	110.1	I65 L70 S100 A101 R102 R106 K107 L108	I65-I104 HydrophobicContact CG2-CD1 3.68Å; L70-I104 HydrophobicContact CB-CG2 4.25Å; L70-I104 HydrophobicContact CD1-CB 3.85Å; L70-I104 HydrophobicContact CD1-CD1 4.38Å; L70-I104 HydrophobicContact CD1-CG2 3.75Å; S100-I104 WeakPolarHBondContact O-CD1 3.42Å; S100-I104 WeakPolarHBondContact O-CG1 3.41Å; S100-I104 PolarHBondContact O-N 2.92Å; A101-I104 PolarHBondContact O-N 2.97Å; R102-I104 VanDerWaalsContact C-N 3.27Å; R102-I104 PolarHBondContact O-N 2.69Å; I104-R106 VanDerWaalsContact C-N 3.33Å; I104-R106 PolarHBondContact O-N 2.87Å; I104-K107 WeakPolarHBondContact O-CB 3.49Å; I104-K107 PolarHBondContact O-N 2.74Å; I104-L108 PolarHBondContact O-N 3.17Å
105	I	94.6	Very high	94.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-53.4	-50.1	-178.6	-66	172.1	0	0	0	110.1	L70 Y92 A101 R102 K107 L108 I111 L138	L70-I105 HydrophobicContact CD1-CG1 3.89Å; L70-I105 HydrophobicContact CD2-CD1 4.19Å; L70-I105 HydrophobicContact CD2-CG1 4.04Å; L70-I105 HydrophobicContact CG-CG1 4.49Å; Y92-I105 HydrophobicContact CD1-CD1 3.97Å; Y92-I105 HydrophobicContact CD1-CG1 4.23Å; Y92-I105 HydrophobicContact CE1-CD1 4.2Å; Y92-I105 HydrophobicContact CE1-CG1 3.94Å; Y92-I105 HydrophobicContact CE1-CG2 4.39Å; A101-I105 HydrophobicContact CB-CD1 4.42Å; A101-I105 VanDerWaalsContact O-CG1 3.22Å; A101-I105 WeakPolarHBondContact O-CG1 3.45Å; A101-I105 PolarHBondContact O-N 3.33Å; R102-I105 PolarHBondContact O-N 2.73Å; I105-K107 PolarHBondContact O-N 3.21Å; I105-K107 VanDerWaalsContact O-N 3.14Å; I105-L108 VanDerWaalsContact O-CB 3.29Å; I105-L108 WeakPolarHBondContact O-CB 3.38Å; I105-L108 PolarHBondContact O-N 3.33Å; I105-I111 HydrophobicContact CG2-CG1 3.75Å; I105-I111 WeakPolarHBondContact O-CG2 3.47Å; I105-L138 HydrophobicContact CB-CD2 4.17Å; I105-L138 HydrophobicContact CG2-CD1 4.06Å; I105-L138 HydrophobicContact CG2-CD2 4.01Å
106	R	91.8	Very high	94.2	Very high	58 Å²	58	39.2 Å²	39.2	22%	0.219	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.1	-179.9	-66.5	-170.5	-66.2	109.5	-7.1	114.2	R102 I104 L138 E141 E147	R102-R106 WeakPolarHBondContact O-CG 3.49Å; R102-R106 PolarHBondContact O-N 3.43Å; I104-R106 VanDerWaalsContact C-N 3.33Å; I104-R106 PolarHBondContact O-N 2.87Å; R106-L138 HydrophobicContact CG-CD2 3.9Å; R106-E141 IonicContact CZ-OE2 3.74Å; R106-E141 VanDerWaalsContact CZ-OE2 3.25Å; R106-E141 IonicContact NE-OE2 3.83Å; R106-E141 PolarHBondContact NE-OE2 3.01Å; R106-E141 IonicContact NH2-OE2 2.74Å; R106-E141 PolarHBondContact NH2-OE2 2.88Å; R106-E147 IonicContact NH1-OE1 2.69Å
107	K	92.6	Very high	94.1	Very high	171 Å²	171	46.1 Å²	46.1	74%	0.743	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.9	177.4	-66.2	175.2	-175.2	177.7	0	113.1	S103 I104 I105	S103-K107 WeakPolarHBondContact O-CD 3.25Å; S103-K107 WeakPolarHBondContact O-CG 3.43Å; I104-K107 WeakPolarHBondContact O-CB 3.49Å; I104-K107 PolarHBondContact O-N 2.74Å; I105-K107 PolarHBondContact O-N 3.21Å; I105-K107 VanDerWaalsContact O-N 3.14Å
108	L	93.1	Very high	94	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	24%	0.235	C	C	.	.	S	Bend	trans	-72.7	135.6	178.9	-63.6	178.1	0	0	0	110.4	L70 E71 Q74 Y92 I104 I105 N110 I111	L70-L108 HydrophobicContact CB-CD1 4.34Å; E71-L108 HydrophobicContact CG-CD2 4.05Å; Q74-L108 HydrophobicContact CB-CD1 4.37Å; Q74-L108 HydrophobicContact CG-CD1 4.47Å; Y92-L108 HydrophobicContact CE1-CD1 4.32Å; Y92-L108 WeakPolarHBondContact OH-CD1 3.4Å; I104-L108 PolarHBondContact O-N 3.17Å; I105-L108 VanDerWaalsContact O-CB 3.29Å; I105-L108 WeakPolarHBondContact O-CB 3.38Å; I105-L108 PolarHBondContact O-N 3.33Å; L108-N110 PolarHBondContact O-N 2.94Å; L108-I111 HydrophobicContact CB-CB 4.06Å; L108-I111 HydrophobicContact CB-CG1 4.38Å; L108-I111 WeakPolarHBondContact O-CB 3.45Å; L108-I111 VanDerWaalsContact O-CG2 3.29Å; L108-I111 WeakPolarHBondContact O-CG2 3.15Å; L108-I111 PolarHBondContact O-N 3.29Å
109	P	92	Very high	94	Very high	82 Å²	82	44.3 Å²	44.3	53%	0.532	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	131.1	-172.9	23.2	-33.2	0	0	0	112.8	Q74 R78 I111	Q74-P109 VanDerWaalsContact NE2-CD 3.31Å; Q74-P109 PolarHBondContact NE2-O 3.44Å; R78-P109 PolarHBondContact NH2-O 3.46Å; P109-I111 PolarHBondContact O-N 3.25Å
110	N	91.6	Very high	93.6	Very high	108 Å²	108	44.7 Å²	44.7	58%	0.578	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	16.3	179.4	-48.8	-48.6	0	0	0	115.3	L108 V112 T113 D114	L108-N110 PolarHBondContact O-N 2.94Å; N110-V112 VanDerWaalsContact C-N 3.35Å; N110-V112 PolarHBondContact O-N 2.86Å; N110-T113 WeakPolarHBondContact O-CB 3.4Å; N110-T113 PolarHBondContact O-N 3.1Å; N110-D114 VanDerWaalsContact O-CG 3.26Å; N110-D114 PolarHBondContact O-N 3.12Å
111	I	93.3	Very high	92.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-58.2	-42.3	-172.9	-169.6	56.4	0	0	0	113.4	I77 Y92 I105 L108 P109 D114 L115	I77-I111 HydrophobicContact CD1-CD1 3.71Å; Y92-I111 HydrophobicContact CE1-CD1 4.39Å; I105-I111 HydrophobicContact CG2-CG1 3.75Å; I105-I111 WeakPolarHBondContact O-CG2 3.47Å; L108-I111 HydrophobicContact CB-CB 4.06Å; L108-I111 HydrophobicContact CB-CG1 4.38Å; L108-I111 WeakPolarHBondContact O-CB 3.45Å; L108-I111 VanDerWaalsContact O-CG2 3.29Å; L108-I111 WeakPolarHBondContact O-CG2 3.15Å; L108-I111 PolarHBondContact O-N 3.29Å; P109-I111 PolarHBondContact O-N 3.25Å; I111-D114 PolarHBondContact O-N 2.93Å; I111-L115 HydrophobicContact CD1-CD1 4.33Å; I111-L115 HydrophobicContact CD1-CG 4.25Å; I111-L115 HydrophobicContact CG1-CD1 4.01Å; I111-L115 HydrophobicContact CG1-CG 4.37Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.29Å; I111-L115 WeakPolarHBondContact O-CG 3.31Å; I111-L115 PolarHBondContact O-N 3.32Å
112	V	93.4	Very high	92.5	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-45	-179.9	178.1	0	0	0	0	110.1	N110 D114 L115 L116 E147 L148 H151	N110-V112 VanDerWaalsContact C-N 3.35Å; N110-V112 PolarHBondContact O-N 2.86Å; V112-D114 VanDerWaalsContact C-N 3.32Å; V112-D114 PolarHBondContact O-N 2.88Å; V112-L115 PolarHBondContact O-N 3.14Å; V112-L116 HydrophobicContact CG1-CD1 3.99Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 WeakPolarHBondContact O-CB 3.36Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 3.4Å; V112-E147 HydrophobicContact CG2-CB 4.26Å; V112-L148 HydrophobicContact CG1-CG 4.38Å; V112-H151 HydrophobicContact CG1-CB 4.24Å
113	T	94.8	Very high	92.3	Very high	45 Å²	45	53.9 Å²	53.9	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-42.2	174.6	-54.4	0	0	0	0	112	N110 K117 H151	N110-T113 WeakPolarHBondContact O-CB 3.4Å; N110-T113 PolarHBondContact O-N 3.1Å; T113-K117 WeakPolarHBondContact O-CG 3.32Å; T113-K117 PolarHBondContact O-N 2.99Å; T113-K117 VanDerWaalsContact O-N 3.12Å; T113-H151 PolarHBondContact OG1-CE1 2.81Å
114	D	94.3	Very high	92.3	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-44.2	179.7	-60.4	-40.8	0	0	0	112.2	I77 R78 N110 I111 V112 L116 K117 L118	I77-D114 HydrophobicContact CD1-CB 3.73Å; R78-D114 IonicContact CZ-OD1 3.21Å; R78-D114 IonicContact CZ-OD2 3.22Å; R78-D114 IonicContact NE-OD1 3.81Å; R78-D114 PolarHBondContact NE-OD1 2.92Å; R78-D114 IonicContact NE-OD2 2.76Å; R78-D114 PolarHBondContact NE-OD2 3.4Å; R78-D114 IonicContact NH2-OD1 2.63Å; R78-D114 PolarHBondContact NH2-OD1 2.98Å; R78-D114 IonicContact NH2-OD2 3Å; R78-D114 PolarHBondContact NH2-OD2 3.46Å; N110-D114 VanDerWaalsContact O-CG 3.26Å; N110-D114 PolarHBondContact O-N 3.12Å; I111-D114 PolarHBondContact O-N 2.93Å; V112-D114 VanDerWaalsContact C-N 3.32Å; V112-D114 PolarHBondContact O-N 2.88Å; D114-L116 VanDerWaalsContact C-N 3.35Å; D114-K117 PolarHBondContact O-N 3.31Å; D114-L118 WeakPolarHBondContact O-CG 3.28Å; D114-L118 PolarHBondContact O-N 3.44Å
115	L	95.6	Very high	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-43.5	176.5	-70.3	173.1	0	0	0	110.6	I111 V112 K117 L118 T131 T134 L135 L138	I111-L115 HydrophobicContact CD1-CD1 4.33Å; I111-L115 HydrophobicContact CD1-CG 4.25Å; I111-L115 HydrophobicContact CG1-CD1 4.01Å; I111-L115 HydrophobicContact CG1-CG 4.37Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.29Å; I111-L115 WeakPolarHBondContact O-CG 3.31Å; I111-L115 PolarHBondContact O-N 3.32Å; V112-L115 PolarHBondContact O-N 3.14Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 2.97Å; L115-L118 WeakPolarHBondContact O-CB 3.38Å; L115-L118 PolarHBondContact O-N 3Å; L115-L118 VanDerWaalsContact O-N 3.11Å; L115-T131 HydrophobicContact CB-CG2 4.23Å; L115-T131 HydrophobicContact CD2-CG2 4.34Å; L115-T131 WeakPolarHBondContact O-CG2 3.39Å; L115-T134 HydrophobicContact CD1-CG2 3.93Å; L115-T134 HydrophobicContact CD2-CG2 4.34Å; L115-L135 HydrophobicContact CB-CD1 4.42Å; L115-L135 HydrophobicContact CB-CD2 3.8Å; L115-L135 HydrophobicContact CB-CG 4.18Å; L115-L135 HydrophobicContact CD1-CD2 3.85Å; L115-L135 HydrophobicContact CD1-CG 4.46Å; L115-L135 HydrophobicContact CG-CD2 4.49Å; L115-L138 HydrophobicContact CD1-CD1 4.19Å
116	L	95.6	Very high	92.2	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-37.4	176	-71.3	174.1	0	0	0	112.2	V112 D114 L118 L119 L135 H151 C153 V156 I157	V112-L116 HydrophobicContact CG1-CD1 3.99Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 WeakPolarHBondContact O-CB 3.36Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.32Å; V112-L116 PolarHBondContact O-N 3.4Å; D114-L116 VanDerWaalsContact C-N 3.35Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 PolarHBondContact O-N 2.93Å; L116-L119 HydrophobicContact CD2-CD1 4.41Å; L116-L119 WeakPolarHBondContact O-CB 3.12Å; L116-L119 PolarHBondContact O-N 3.32Å; L116-L135 HydrophobicContact CD2-CD1 3.96Å; L116-H151 HydrophobicContact CD1-CB 3.9Å; L116-C153 HydrophobicContact CD1-CB 4.18Å; L116-C153 HydrophobicContact CD2-CB 3.88Å; L116-V156 HydrophobicContact CB-CG1 4.26Å; L116-V156 HydrophobicContact CD2-CB 4.43Å; L116-V156 HydrophobicContact CD2-CG1 4.37Å; L116-V156 VanDerWaalsContact O-CG1 3.25Å; L116-V156 WeakPolarHBondContact O-CG1 3.16Å; L116-I157 HydrophobicContact CD2-CG2 4.06Å
117	K	94.2	Very high	92.4	Very high	144 Å²	144	55.1 Å²	55.1	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-64.6	-30	175.2	-74.9	174.4	-179.4	178.6	0	113.4	T113 D114 L115 L119 D120	T113-K117 WeakPolarHBondContact O-CG 3.32Å; T113-K117 PolarHBondContact O-N 2.99Å; T113-K117 VanDerWaalsContact O-N 3.12Å; D114-K117 PolarHBondContact O-N 3.31Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 2.97Å; K117-L119 PolarHBondContact O-N 3.38Å; K117-D120 WeakPolarHBondContact O-CB 3.34Å; K117-D120 PolarHBondContact O-N 2.87Å
118	L	94.6	Very high	92.6	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.8	178.6	-70	169.4	0	0	0	113.9	I77 K85 V89 D114 L115 L116 D120 T127 T131	I77-L118 HydrophobicContact CB-CD1 4.04Å; K85-L118 HydrophobicContact CD-CD2 4.17Å; V89-L118 HydrophobicContact CG2-CD1 3.6Å; D114-L118 WeakPolarHBondContact O-CG 3.28Å; D114-L118 PolarHBondContact O-N 3.44Å; L115-L118 WeakPolarHBondContact O-CB 3.38Å; L115-L118 PolarHBondContact O-N 3Å; L115-L118 VanDerWaalsContact O-N 3.11Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 PolarHBondContact O-N 2.93Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-T127 HydrophobicContact CB-CG2 4.38Å; L118-T127 HydrophobicContact CD2-CG2 4.17Å; L118-T131 HydrophobicContact CB-CG2 3.92Å; L118-T131 WeakPolarHBondContact CB-OG1 3.16Å
119	L	94.4	Very high	92.7	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.9	172.2	-66.2	-178.3	0	0	0	113.4	L116 K117 K128 T131 A132 L135 V156 I157	L116-L119 HydrophobicContact CD2-CD1 4.41Å; L116-L119 WeakPolarHBondContact O-CB 3.12Å; L116-L119 PolarHBondContact O-N 3.32Å; K117-L119 PolarHBondContact O-N 3.38Å; L119-K128 HydrophobicContact CD2-CB 4.39Å; L119-T131 HydrophobicContact CD2-CG2 3.55Å; L119-T131 HydrophobicContact CG-CG2 3.73Å; L119-A132 HydrophobicContact CD2-CB 4.14Å; L119-L135 HydrophobicContact CD1-CD1 3.81Å; L119-V156 HydrophobicContact CB-CG1 4.18Å; L119-I157 HydrophobicContact CD1-CG2 3.8Å
120	D	87.7	Confident	92.9	Very high	85 Å²	85	45.7 Å²	45.7	46%	0.455	24%	0.235	S	C	.	.	S	Bend	trans	-60	145.9	177.6	-162.7	-11.1	0	0	0	112	K117 L118 E122 E123	K117-D120 WeakPolarHBondContact O-CB 3.34Å; K117-D120 PolarHBondContact O-N 2.87Å; L118-D120 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.03Å; D120-E122 VanDerWaalsContact O-N 3.11Å; D120-E123 PolarHBondContact O-N 3.34Å; D120-E123 VanDerWaalsContact O-N 3.13Å
121	S	78.7	Confident	93.2	Very high	100 Å²	100	40.5 Å²	40.5	70%	0.699	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25	178.1	62.1	0	0	0	0	114.5
122	E	87	Confident	93.4	Very high	148 Å²	148	40.3 Å²	40.3	69%	0.692	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.2	-179.8	-63	-167.6	170.4	0	0	113.9	R82 D120	R82-E122 PolarHBondContact NH1-O 3.28Å; R82-E122 PolarHBondContact NH2-O 2.95Å; D120-E122 PolarHBondContact O-N 3.03Å; D120-E122 VanDerWaalsContact O-N 3.11Å
123	E	91.9	Very high	93.6	Very high	26 Å²	26	41.7 Å²	41.7	12%	0.121	21%	0.213	C	C	.	.	S	Bend	trans	-78.5	163.7	-177.3	-70.4	-64.9	176.5	0	0	113.3	R82 K85 D120 T127 K128	R82-E123 IonicContact NE-OE2 3.16Å; K85-E123 WeakPolarHBondContact CE-OE1 3.31Å; K85-E123 IonicContact NZ-OE1 2.7Å; K85-E123 PolarHBondContact NZ-OE1 3.31Å; D120-E123 PolarHBondContact O-N 3.34Å; D120-E123 VanDerWaalsContact O-N 3.13Å; E123-T127 HydrophobicContact CB-CG2 4.35Å; E123-K128 HydrophobicContact CB-CG 4.45Å
124	F	93.5	Very high	93.7	Very high	71 Å²	71	39.6 Å²	39.6	31%	0.311	20%	0.2	S	C	.	.			trans	-65	145.8	176.5	-61.2	-66.4	0	0	0	110.9	R82 R86 T126 T127 K128	R82-F124 HydrophobicContact CB-CD2 4.44Å; R82-F124 HydrophobicContact CB-CE2 3.68Å; R82-F124 HydrophobicContact CB-CZ 4.32Å; R86-F124 HydrophobicContact CB-CD2 4.07Å; R86-F124 HydrophobicContact CG-CD2 4.33Å; F124-T126 VanDerWaalsContact C-N 3.27Å; F124-T126 PolarHBondContact O-N 3.01Å; F124-T127 WeakPolarHBondContact O-CA 3.45Å; F124-T127 VanDerWaalsContact O-CB 3.26Å; F124-T127 WeakPolarHBondContact O-CB 3.42Å; F124-T127 PolarHBondContact O-N 3.45Å; F124-K128 PolarHBondContact O-N 3.36Å
125	E	92.6	Very high	93.8	Very high	60 Å²	60	39 Å²	39	28%	0.28	20%	0.197	S	C	.	.	H	α-helix	trans	-53.6	-45.2	176.1	-65.9	-55.6	148.3	0	0	112.2	T127 K128 E129 S163 D165	E125-T127 VanDerWaalsContact C-N 3.28Å; E125-T127 PolarHBondContact O-N 2.98Å; E125-K128 CarbonylContact O-C 3.57Å; E125-K128 WeakPolarHBondContact O-CA 3.05Å; E125-K128 WeakPolarHBondContact O-CB 3.21Å; E125-K128 PolarHBondContact O-N 3.48Å; E125-K128 WeakPolarHBondContact OE1-CE 3.33Å; E125-K128 IonicContact OE1-NZ 3.82Å; E125-K128 PolarHBondContact OE1-NZ 3.25Å; E125-K128 WeakPolarHBondContact OE2-CE 3.19Å; E125-K128 IonicContact OE2-NZ 3.08Å; E125-K128 PolarHBondContact OE2-NZ 3.01Å; E125-E129 WeakPolarHBondContact O-CB 3.44Å; E125-E129 PolarHBondContact O-N 3.2Å; E125-S163 PolarHBondContact OE2-OG 3.43Å; E125-D165 HydrophobicContact CB-CB 4.38Å
126	T	94	Very high	93.9	Very high	55 Å²	55	39.5 Å²	39.5	34%	0.337	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-31.5	173.8	48.5	0	0	0	0	114.1	R86 F124 F130	R86-T126 VanDerWaalsContact CD-OG1 3.29Å; R86-T126 WeakPolarHBondContact CD-OG1 3.27Å; F124-T126 VanDerWaalsContact C-N 3.27Å; F124-T126 PolarHBondContact O-N 3.01Å; T126-F130 WeakPolarHBondContact O-CD2 3.34Å; T126-F130 PolarHBondContact O-N 2.72Å
127	T	95.7	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-48.2	171.5	-55.5	0	0	0	0	109.4	R86 V89 L118 E123 F124 E125 E129 T131	R86-T127 WeakPolarHBondContact CA-OG1 3.42Å; R86-T127 VanDerWaalsContact CB-OG1 3.31Å; R86-T127 WeakPolarHBondContact CB-OG1 3.46Å; R86-T127 WeakPolarHBondContact CG-OG1 3.5Å; V89-T127 HydrophobicContact CG2-CG2 4.26Å; L118-T127 HydrophobicContact CB-CG2 4.38Å; L118-T127 HydrophobicContact CD2-CG2 4.17Å; E123-T127 HydrophobicContact CB-CG2 4.35Å; F124-T127 WeakPolarHBondContact O-CA 3.45Å; F124-T127 VanDerWaalsContact O-CB 3.26Å; F124-T127 WeakPolarHBondContact O-CB 3.42Å; F124-T127 PolarHBondContact O-N 3.45Å; E125-T127 VanDerWaalsContact C-N 3.28Å; E125-T127 PolarHBondContact O-N 2.98Å; T127-E129 PolarHBondContact O-N 2.98Å; T127-T131 VanDerWaalsContact O-CB 3.23Å; T127-T131 WeakPolarHBondContact O-CB 3.46Å; T127-T131 PolarHBondContact O-N 3.01Å; T127-T131 PolarHBondContact O-OG1 3.31Å
128	K	96	Very high	94.1	Very high	17 Å²	17	34.1 Å²	34.1	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-42.6	179.2	-65.8	-175.3	-73.5	177.9	0	111.9	L119 E123 F124 E125 T131 A132 V168	L119-K128 HydrophobicContact CD2-CB 4.39Å; E123-K128 HydrophobicContact CB-CG 4.45Å; F124-K128 PolarHBondContact O-N 3.36Å; E125-K128 CarbonylContact O-C 3.57Å; E125-K128 WeakPolarHBondContact O-CA 3.05Å; E125-K128 WeakPolarHBondContact O-CB 3.21Å; E125-K128 PolarHBondContact O-N 3.48Å; E125-K128 WeakPolarHBondContact OE1-CE 3.33Å; E125-K128 IonicContact OE1-NZ 3.82Å; E125-K128 PolarHBondContact OE1-NZ 3.25Å; E125-K128 WeakPolarHBondContact OE2-CE 3.19Å; E125-K128 IonicContact OE2-NZ 3.08Å; E125-K128 PolarHBondContact OE2-NZ 3.01Å; K128-T131 PolarHBondContact O-N 2.77Å; K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 2.94Å; K128-V168 HydrophobicContact CB-CG1 4.32Å; K128-V168 HydrophobicContact CB-CG2 4.2Å
129	E	95.9	Very high	94.2	Very high	35 Å²	35	33.8 Å²	33.8	16%	0.164	18%	0.176	C	C	.	.	H	α-helix	trans	-57.4	-55	179.3	-176.4	-156.1	153.9	0	0	111.1	E125 T127 A132 M133 D167 V168 N171	E125-E129 WeakPolarHBondContact O-CB 3.44Å; E125-E129 PolarHBondContact O-N 3.2Å; T127-E129 PolarHBondContact O-N 2.98Å; E129-A132 PolarHBondContact O-N 3.46Å; E129-M133 WeakPolarHBondContact O-CB 3.33Å; E129-M133 PolarHBondContact O-N 2.8Å; E129-D167 HydrophobicContact CG-CB 3.8Å; E129-V168 HydrophobicContact CB-CG2 3.81Å; E129-N171 PolarHBondContact O-ND2 3.45Å
130	F	96.9	Very high	94.2	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-74.1	-28.2	-177.2	-80.3	-104.5	0	0	0	112.3	Y51 V89 L90 V94 T126 M133 T134	Y51-F130 AromaticContact CE2-CE1 3.78Å; Y51-F130 HydrophobicContact CE2-CE1 3.78Å; Y51-F130 HydrophobicContact CE2-CZ 4.12Å; V89-F130 HydrophobicContact CG1-CB 3.77Å; L90-F130 HydrophobicContact CB-CD1 4.36Å; L90-F130 HydrophobicContact CD2-CB 4.12Å; L90-F130 HydrophobicContact CD2-CD1 3.82Å; L90-F130 HydrophobicContact CD2-CD2 3.24Å; L90-F130 HydrophobicContact CD2-CE1 4.06Å; L90-F130 HydrophobicContact CD2-CE2 3.49Å; L90-F130 VanDerWaalsContact CD2-CE2 3.49Å; L90-F130 HydrophobicContact CD2-CG 3.43Å; L90-F130 VanDerWaalsContact CD2-CG 3.43Å; L90-F130 HydrophobicContact CD2-CZ 3.9Å; L90-F130 WeakPolarHBondContact O-CD1 3.34Å; V94-F130 HydrophobicContact CG2-CE1 3.96Å; T126-F130 WeakPolarHBondContact O-CD2 3.34Å; T126-F130 PolarHBondContact O-N 2.72Å; F130-M133 HydrophobicContact CB-CE 4.5Å; F130-M133 HydrophobicContact CD1-CE 3.29Å; F130-M133 HydrophobicContact CE1-CE 3.56Å; F130-M133 HydrophobicContact CG-CE 4.02Å; F130-M133 HydrophobicContact CZ-CE 4.47Å; F130-T134 WeakPolarHBondContact O-CB 3.5Å; F130-T134 PolarHBondContact O-N 2.77Å; F130-T134 PolarHBondContact O-OG1 3.01Å
131	T	97.2	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-50.3	169.2	-66.2	0	0	0	0	111	V89 L115 L118 L119 T127 K128 M133 T134 L135	V89-T131 WeakPolarHBondContact CG1-OG1 3.31Å; L115-T131 HydrophobicContact CB-CG2 4.23Å; L115-T131 HydrophobicContact CD2-CG2 4.34Å; L115-T131 WeakPolarHBondContact O-CG2 3.39Å; L118-T131 HydrophobicContact CB-CG2 3.92Å; L118-T131 WeakPolarHBondContact CB-OG1 3.16Å; L119-T131 HydrophobicContact CD2-CG2 3.55Å; L119-T131 HydrophobicContact CG-CG2 3.73Å; T127-T131 VanDerWaalsContact O-CB 3.23Å; T127-T131 WeakPolarHBondContact O-CB 3.46Å; T127-T131 PolarHBondContact O-N 3.01Å; T127-T131 PolarHBondContact O-OG1 3.31Å; K128-T131 PolarHBondContact O-N 2.77Å; T131-M133 VanDerWaalsContact C-N 3.33Å; T131-M133 PolarHBondContact O-N 3.22Å; T131-T134 WeakPolarHBondContact O-CB 3.31Å; T131-T134 PolarHBondContact O-N 3.15Å; T131-T134 VanDerWaalsContact O-N 3.13Å; T131-L135 HydrophobicContact CG2-CD1 4.37Å; T131-L135 PolarHBondContact O-N 3.42Å
132	A	97.1	Very high	95.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-40.6	177.5	0	0	0	0	0	111.2	L119 K128 E129 T134 L135 S136 N171 I175	L119-A132 HydrophobicContact CD2-CB 4.14Å; K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 2.94Å; E129-A132 PolarHBondContact O-N 3.46Å; A132-T134 VanDerWaalsContact C-N 3.33Å; A132-T134 PolarHBondContact O-N 3.39Å; A132-L135 PolarHBondContact O-N 3.3Å; A132-S136 VanDerWaalsContact O-CB 3.32Å; A132-S136 WeakPolarHBondContact O-CB 3.38Å; A132-S136 PolarHBondContact O-N 3.03Å; A132-N171 HydrophobicContact CB-CB 3.69Å; A132-I175 HydrophobicContact CB-CD1 4.36Å
133	M	97.4	Very high	95.4	Very high	34 Å²	34	33 Å²	33	17%	0.167	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-43.7	172.3	-171.5	178.5	56.7	0	0	111.7	E129 F130 T131 S136 H137	E129-M133 WeakPolarHBondContact O-CB 3.33Å; E129-M133 PolarHBondContact O-N 2.8Å; F130-M133 HydrophobicContact CB-CE 4.5Å; F130-M133 HydrophobicContact CD1-CE 3.29Å; F130-M133 HydrophobicContact CE1-CE 3.56Å; F130-M133 HydrophobicContact CG-CE 4.02Å; F130-M133 HydrophobicContact CZ-CE 4.47Å; T131-M133 VanDerWaalsContact C-N 3.33Å; T131-M133 PolarHBondContact O-N 3.22Å; M133-S136 PolarHBondContact O-N 2.88Å; M133-H137 PolarHBondContact O-N 3.02Å; M133-H137 PolarHBondContact O-ND1 3.41Å
134	T	97	Very high	95.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-50.1	176.7	-54.9	0	0	0	0	110.9	G93 L115 F130 T131 A132 S136 H137 L138	G93-T134 WeakPolarHBondContact CA-OG1 3.48Å; G93-T134 PolarHBondContact N-OG1 3.38Å; L115-T134 HydrophobicContact CD1-CG2 3.93Å; L115-T134 HydrophobicContact CD2-CG2 4.34Å; F130-T134 WeakPolarHBondContact O-CB 3.5Å; F130-T134 PolarHBondContact O-N 2.77Å; F130-T134 PolarHBondContact O-OG1 3.01Å; T131-T134 WeakPolarHBondContact O-CB 3.31Å; T131-T134 PolarHBondContact O-N 3.15Å; T131-T134 VanDerWaalsContact O-N 3.13Å; A132-T134 VanDerWaalsContact C-N 3.33Å; A132-T134 PolarHBondContact O-N 3.39Å; T134-S136 PolarHBondContact O-N 2.85Å; T134-H137 PolarHBondContact O-N 3.41Å; T134-L138 WeakPolarHBondContact O-CG 3.05Å; T134-L138 PolarHBondContact O-N 3.27Å
135	L	97.4	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-41.6	178.7	-68.6	172.4	0	0	0	112.1	L115 L116 L119 T131 A132 H137 L138 C139 L148 I175	L115-L135 HydrophobicContact CB-CD1 4.42Å; L115-L135 HydrophobicContact CB-CD2 3.8Å; L115-L135 HydrophobicContact CB-CG 4.18Å; L115-L135 HydrophobicContact CD1-CD2 3.85Å; L115-L135 HydrophobicContact CD1-CG 4.46Å; L115-L135 HydrophobicContact CG-CD2 4.49Å; L116-L135 HydrophobicContact CD2-CD1 3.96Å; L119-L135 HydrophobicContact CD1-CD1 3.81Å; T131-L135 HydrophobicContact CG2-CD1 4.37Å; T131-L135 PolarHBondContact O-N 3.42Å; A132-L135 PolarHBondContact O-N 3.3Å; L135-H137 VanDerWaalsContact C-N 3.34Å; L135-H137 PolarHBondContact O-N 3.06Å; L135-L138 HydrophobicContact CD2-CD1 4.48Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 PolarHBondContact O-N 3.1Å; L135-L138 VanDerWaalsContact O-N 3.13Å; L135-C139 PolarHBondContact O-N 3.49Å; L135-C139 PolarHBondContact O-SG 2.78Å; L135-L148 HydrophobicContact CD2-CD1 4.31Å; L135-L148 HydrophobicContact CD2-CD2 4.27Å; L135-I175 HydrophobicContact CB-CD1 3.65Å; L135-I175 HydrophobicContact CB-CG1 4.2Å; L135-I175 HydrophobicContact CD1-CD1 4.41Å
136	S	97	Very high	95.7	Very high	12 Å²	12	31 Å²	31	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-57.5	-46.5	174.9	175.6	0	0	0	0	111.5	A132 M133 T134 L138 C139 D174	A132-S136 VanDerWaalsContact O-CB 3.32Å; A132-S136 WeakPolarHBondContact O-CB 3.38Å; A132-S136 PolarHBondContact O-N 3.03Å; M133-S136 PolarHBondContact O-N 2.88Å; T134-S136 PolarHBondContact O-N 2.85Å; S136-L138 VanDerWaalsContact C-N 3.34Å; S136-L138 PolarHBondContact O-N 2.96Å; S136-C139 WeakPolarHBondContact O-CB 3.21Å; S136-C139 PolarHBondContact O-N 2.87Å; S136-D174 WeakPolarHBondContact OG-CB 3.37Å
137	H	97.4	Very high	95.7	Very high	41 Å²	41	30.5 Å²	30.5	19%	0.19	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-39.6	175.3	-70	153.6	0	0	0	112.3	S96 S97 R102 M133 T134 L135 C139 L140	S96-H137 WeakPolarHBondContact O-CB 3.33Å; S96-H137 PolarHBondContact OG-ND1 3.42Å; S97-H137 PolarHBondContact N-ND1 3.4Å; R102-H137 WeakPolarHBondContact CD-O 3.39Å; M133-H137 PolarHBondContact O-N 3.02Å; M133-H137 PolarHBondContact O-ND1 3.41Å; T134-H137 PolarHBondContact O-N 3.41Å; L135-H137 VanDerWaalsContact C-N 3.34Å; L135-H137 PolarHBondContact O-N 3.06Å; H137-C139 VanDerWaalsContact C-N 3.27Å; H137-C139 PolarHBondContact O-N 3.21Å; H137-L140 VanDerWaalsContact O-CB 3.24Å; H137-L140 WeakPolarHBondContact O-CB 3.44Å; H137-L140 WeakPolarHBondContact O-CG 3.1Å; H137-L140 PolarHBondContact O-N 2.76Å; H137-L140 VanDerWaalsContact O-N 3.1Å
138	L	96.6	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-36.2	175.8	-64.7	-177.9	0	0	0	112.2	R102 I105 R106 L115 T134 L135 S136 L140 E141	R102-L138 HydrophobicContact CB-CD2 3.96Å; R102-L138 HydrophobicContact CG-CD2 4.05Å; I105-L138 HydrophobicContact CB-CD2 4.17Å; I105-L138 HydrophobicContact CG2-CD1 4.06Å; I105-L138 HydrophobicContact CG2-CD2 4.01Å; R106-L138 HydrophobicContact CG-CD2 3.9Å; L115-L138 HydrophobicContact CD1-CD1 4.19Å; T134-L138 WeakPolarHBondContact O-CG 3.05Å; T134-L138 PolarHBondContact O-N 3.27Å; L135-L138 HydrophobicContact CD2-CD1 4.48Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 PolarHBondContact O-N 3.1Å; L135-L138 VanDerWaalsContact O-N 3.13Å; S136-L138 VanDerWaalsContact C-N 3.34Å; S136-L138 PolarHBondContact O-N 2.96Å; L138-L140 PolarHBondContact O-N 3.3Å; L138-E141 PolarHBondContact O-N 2.89Å
139	C	96.2	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.9	175.6	-69.2	0	0	0	0	114.6	L135 S136 H137 E141 I145 M178	L135-C139 PolarHBondContact O-N 3.49Å; L135-C139 PolarHBondContact O-SG 2.78Å; S136-C139 WeakPolarHBondContact O-CB 3.21Å; S136-C139 PolarHBondContact O-N 2.87Å; H137-C139 VanDerWaalsContact C-N 3.27Å; H137-C139 PolarHBondContact O-N 3.21Å; C139-E141 PolarHBondContact O-N 3.19Å; C139-I145 HydrophobicContact CB-CG1 4.1Å; C139-I145 WeakPolarHBondContact O-CD1 3.48Å; C139-I145 WeakPolarHBondContact O-CG1 3.39Å; C139-M178 HydrophobicContact CB-CB 3.62Å; C139-M178 HydrophobicContact CB-CG 4.03Å
140	L	95.2	Very high	95.5	Very high	99 Å²	99	34.2 Å²	34.2	52%	0.518	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.1	170.2	-61.9	175.3	0	0	0	112.5	H137 L138	H137-L140 VanDerWaalsContact O-CB 3.24Å; H137-L140 WeakPolarHBondContact O-CB 3.44Å; H137-L140 WeakPolarHBondContact O-CG 3.1Å; H137-L140 PolarHBondContact O-N 2.76Å; H137-L140 VanDerWaalsContact O-N 3.1Å; L138-L140 PolarHBondContact O-N 3.3Å
141	E	93.1	Very high	95.4	Very high	42 Å²	42	37.6 Å²	37.6	20%	0.196	18%	0.177	C	C	.	.	S	Bend	trans	-115.6	135.1	174.4	-67.5	165	-160.8	0	0	109.3	R102 R106 L138 C139 A143 G144 I145	R102-E141 IonicContact CZ-OE1 3.57Å; R102-E141 IonicContact NE-OE1 3.49Å; R102-E141 PolarHBondContact NE-OE1 3.35Å; R102-E141 IonicContact NH2-OE1 3.33Å; R106-E141 IonicContact CZ-OE2 3.74Å; R106-E141 VanDerWaalsContact CZ-OE2 3.25Å; R106-E141 IonicContact NE-OE2 3.83Å; R106-E141 PolarHBondContact NE-OE2 3.01Å; R106-E141 IonicContact NH2-OE2 2.74Å; R106-E141 PolarHBondContact NH2-OE2 2.88Å; L138-E141 PolarHBondContact O-N 2.89Å; C139-E141 PolarHBondContact O-N 3.19Å; E141-A143 PolarHBondContact O-N 3.35Å; E141-A143 VanDerWaalsContact O-N 3.09Å; E141-G144 PolarHBondContact O-N 2.75Å; E141-I145 PolarHBondContact O-N 2.68Å
142	Y	93.4	Very high	95.2	Very high	145 Å²	145	44.6 Å²	44.6	57%	0.569	21%	0.208	S	C	*	.	H	α-helix	trans	-56.6	-32.1	-176.9	-173.5	-102	0	0	0	113.3	G144 I145 Y146 D182	Y142-G144 VanDerWaalsContact C-N 3.32Å; Y142-G144 PolarHBondContact O-N 2.67Å; Y142-I145 HydrophobicContact CD2-CD1 4.48Å; Y142-I145 WeakPolarHBondContact O-CB 3.28Å; Y142-I145 PolarHBondContact O-N 3.33Å; Y142-Y146 PolarHBondContact O-N 2.71Å; Y142-D182 PolarHBondContact OH-OD2 3.45Å
143	A	92.9	Very high	95.1	Very high	38 Å²	38	44.6 Å²	44.6	31%	0.314	21%	0.208	S	C	.	.	H	α-helix	trans	-64.4	-34.2	175.3	0	0	0	0	0	113.1	E141 Y146 E147	E141-A143 PolarHBondContact O-N 3.35Å; E141-A143 VanDerWaalsContact O-N 3.09Å; A143-Y146 PolarHBondContact O-N 2.83Å; A143-E147 VanDerWaalsContact O-CG 3.28Å; A143-E147 WeakPolarHBondContact O-CG 3.43Å; A143-E147 PolarHBondContact O-N 2.77Å
144	G	93.8	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-39.8	172.4	0	0	0	0	0	112	E141 Y142 Y146 E147 L148	E141-G144 PolarHBondContact O-N 2.75Å; Y142-G144 VanDerWaalsContact C-N 3.32Å; Y142-G144 PolarHBondContact O-N 2.67Å; G144-Y146 PolarHBondContact O-N 2.76Å; G144-E147 PolarHBondContact O-N 3.12Å; G144-L148 WeakPolarHBondContact O-CD1 3.39Å; G144-L148 PolarHBondContact O-N 3.22Å; G144-L148 VanDerWaalsContact O-N 3.09Å
145	I	95.3	Very high	94.7	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-50.7	173.7	-66	171.7	0	0	0	110.3	C139 E141 Y142 L148 I149 M178 L179 D182	C139-I145 HydrophobicContact CB-CG1 4.1Å; C139-I145 WeakPolarHBondContact O-CD1 3.48Å; C139-I145 WeakPolarHBondContact O-CG1 3.39Å; E141-I145 PolarHBondContact O-N 2.68Å; Y142-I145 HydrophobicContact CD2-CD1 4.48Å; Y142-I145 WeakPolarHBondContact O-CB 3.28Å; Y142-I145 PolarHBondContact O-N 3.33Å; I145-L148 PolarHBondContact O-N 2.84Å; I145-I149 HydrophobicContact CG2-CD1 3.76Å; I145-I149 WeakPolarHBondContact O-CG1 3.43Å; I145-I149 PolarHBondContact O-N 3.06Å; I145-M178 WeakPolarHBondContact CD1-O 3.43Å; I145-L179 HydrophobicContact CB-CD2 4.3Å; I145-L179 HydrophobicContact CG1-CD2 4.49Å; I145-L179 HydrophobicContact CG2-CD2 3.94Å; I145-D182 HydrophobicContact CG2-CB 4.31Å
146	Y	94.3	Very high	94.5	Very high	112 Å²	112	49.5 Å²	49.5	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-49.9	179.9	-179.6	-91.4	0	0	0	112.4	Y142 A143 G144 L148 I149 E150	Y142-Y146 PolarHBondContact O-N 2.71Å; A143-Y146 PolarHBondContact O-N 2.83Å; G144-Y146 PolarHBondContact O-N 2.76Å; Y146-L148 VanDerWaalsContact C-N 3.34Å; Y146-L148 PolarHBondContact O-N 3.15Å; Y146-I149 PolarHBondContact O-N 2.81Å; Y146-I149 VanDerWaalsContact O-N 3.17Å; Y146-E150 HydrophobicContact CD1-CG 4.24Å; Y146-E150 HydrophobicContact CE1-CG 3.67Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.41Å; Y146-E150 HydrophobicContact CE2-CG 4.48Å; Y146-E150 PolarHBondContact O-N 2.87Å; Y146-E150 PolarHBondContact OH-OE1 3.42Å
147	E	93.4	Very high	94.5	Very high	44 Å²	44	49 Å²	49	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-44.9	179.1	-73.4	167.5	-155	0	0	111.5	R106 V112 A143 G144 I149 E150 H151	R106-E147 IonicContact NH1-OE1 2.69Å; V112-E147 HydrophobicContact CG2-CB 4.26Å; A143-E147 VanDerWaalsContact O-CG 3.28Å; A143-E147 WeakPolarHBondContact O-CG 3.43Å; A143-E147 PolarHBondContact O-N 2.77Å; G144-E147 PolarHBondContact O-N 3.12Å; E147-I149 PolarHBondContact O-N 2.84Å; E147-E150 PolarHBondContact O-N 3.48Å; E147-H151 PolarHBondContact O-CD2 2.92Å; E147-H151 PolarHBondContact O-N 2.91Å; E147-H151 VanDerWaalsContact O-N 3.11Å
148	L	95.5	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-34.7	177.9	-90.2	109	0	0	0	113.3	V112 L135 G144 I145 Y146 H151 K152 C153 I175 L179	V112-L148 HydrophobicContact CG1-CG 4.38Å; L135-L148 HydrophobicContact CD2-CD1 4.31Å; L135-L148 HydrophobicContact CD2-CD2 4.27Å; G144-L148 WeakPolarHBondContact O-CD1 3.39Å; G144-L148 PolarHBondContact O-N 3.22Å; G144-L148 VanDerWaalsContact O-N 3.09Å; I145-L148 PolarHBondContact O-N 2.84Å; Y146-L148 VanDerWaalsContact C-N 3.34Å; Y146-L148 PolarHBondContact O-N 3.15Å; L148-H151 PolarHBondContact O-N 3.48Å; L148-K152 PolarHBondContact O-N 3.41Å; L148-C153 HydrophobicContact CB-CB 4.32Å; L148-C153 HydrophobicContact CD2-CB 3.92Å; L148-C153 HydrophobicContact CG-CB 4.5Å; L148-C153 WeakPolarHBondContact O-CB 3.22Å; L148-C153 PolarHBondContact O-N 2.99Å; L148-C153 PolarHBondContact O-SG 2.91Å; L148-I175 HydrophobicContact CD2-CG2 4.11Å; L148-L179 HydrophobicContact CB-CD2 3.92Å
149	I	94.8	Very high	94.2	Very high	11 Å²	11	51 Å²	51	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-46.5	175.5	-69.6	171.9	0	0	0	110.4	I145 Y146 E147 H151 K152 L179 D182 E184 A185 M188	I145-I149 HydrophobicContact CG2-CD1 3.76Å; I145-I149 WeakPolarHBondContact O-CG1 3.43Å; I145-I149 PolarHBondContact O-N 3.06Å; Y146-I149 PolarHBondContact O-N 2.81Å; Y146-I149 VanDerWaalsContact O-N 3.17Å; E147-I149 PolarHBondContact O-N 2.84Å; I149-H151 PolarHBondContact O-N 3.26Å; I149-K152 PolarHBondContact O-N 3.41Å; I149-L179 HydrophobicContact CG1-CD2 4.12Å; I149-D182 HydrophobicContact CD1-CB 3.48Å; I149-D182 VanDerWaalsContact CD1-CB 3.48Å; I149-E184 HydrophobicContact CG2-CB 4.34Å; I149-A185 HydrophobicContact CD1-CB 4.07Å; I149-A185 HydrophobicContact CG1-CB 4.41Å; I149-M188 HydrophobicContact CG2-SD 4.05Å
150	E	93.9	Very high	94.1	Very high	119 Å²	119	51.4 Å²	51.4	56%	0.556	26%	0.259	S	S	*	.	H	α-helix	trans	-57.5	-37.4	176.1	-78.5	-157.6	147.4	0	0	112.2	Y146 E147 K152	Y146-E150 HydrophobicContact CD1-CG 4.24Å; Y146-E150 HydrophobicContact CE1-CG 3.67Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.41Å; Y146-E150 HydrophobicContact CE2-CG 4.48Å; Y146-E150 PolarHBondContact O-N 2.87Å; Y146-E150 PolarHBondContact OH-OE1 3.42Å; E147-E150 PolarHBondContact O-N 3.48Å; E150-K152 PolarHBondContact O-N 3.18Å
151	H	93.9	Very high	94.1	Very high	88 Å²	88	46.8 Å²	46.8	41%	0.407	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	2.9	177	-82.5	-74.8	0	0	0	114.8	V112 T113 L116 E147 L148 I149 C153	V112-H151 HydrophobicContact CG1-CB 4.24Å; T113-H151 PolarHBondContact OG1-CE1 2.81Å; L116-H151 HydrophobicContact CD1-CB 3.9Å; E147-H151 PolarHBondContact O-CD2 2.92Å; E147-H151 PolarHBondContact O-N 2.91Å; E147-H151 VanDerWaalsContact O-N 3.11Å; L148-H151 PolarHBondContact O-N 3.48Å; I149-H151 PolarHBondContact O-N 3.26Å; H151-C153 VanDerWaalsContact C-N 3.26Å; H151-C153 PolarHBondContact O-N 2.84Å
152	K	93.1	Very high	94.1	Very high	148 Å²	148	50.8 Å²	50.8	64%	0.643	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.2	-178.4	-54.1	-173.8	-178.4	-178.7	0	113.4	L148 I149 E150 F154 S155 M188	L148-K152 PolarHBondContact O-N 3.41Å; I149-K152 PolarHBondContact O-N 3.41Å; E150-K152 PolarHBondContact O-N 3.18Å; K152-F154 PolarHBondContact O-N 2.76Å; K152-S155 PolarHBondContact O-OG 3.44Å; K152-M188 HydrophobicContact CB-CE 3.85Å; K152-M188 HydrophobicContact CG-CE 3.81Å
153	C	94.7	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.2	-169.9	62.7	0	0	0	0	115.5	L116 L148 H151 S155 V156 I157 L179	L116-C153 HydrophobicContact CD1-CB 4.18Å; L116-C153 HydrophobicContact CD2-CB 3.88Å; L148-C153 HydrophobicContact CB-CB 4.32Å; L148-C153 HydrophobicContact CD2-CB 3.92Å; L148-C153 HydrophobicContact CG-CB 4.5Å; L148-C153 WeakPolarHBondContact O-CB 3.22Å; L148-C153 PolarHBondContact O-N 2.99Å; L148-C153 PolarHBondContact O-SG 2.91Å; H151-C153 VanDerWaalsContact C-N 3.26Å; H151-C153 PolarHBondContact O-N 2.84Å; C153-S155 VanDerWaalsContact C-N 3.28Å; C153-S155 PolarHBondContact O-N 2.94Å; C153-V156 WeakPolarHBondContact O-CA 3.43Å; C153-V156 WeakPolarHBondContact O-CB 3.24Å; C153-V156 PolarHBondContact O-N 3.39Å; C153-I157 HydrophobicContact CB-CG2 4.37Å; C153-I157 WeakPolarHBondContact O-CG1 3.36Å; C153-I157 PolarHBondContact O-N 3.1Å; C153-L179 WeakPolarHBondContact SG-CD1 3.27Å
154	F	94.6	Very high	94.1	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-52.7	-39.4	-177.1	-81.9	-80.5	0	0	0	113.8	K152 V156 I157 T158 I176 L179 A185 M188 L189	K152-F154 PolarHBondContact O-N 2.76Å; F154-V156 PolarHBondContact O-N 2.91Å; F154-I157 HydrophobicContact CD1-CD1 4.38Å; F154-T158 WeakPolarHBondContact O-CB 3.04Å; F154-T158 PolarHBondContact O-N 3.15Å; F154-T158 PolarHBondContact O-OG1 3Å; F154-I176 HydrophobicContact CE1-CG1 4.09Å; F154-I176 HydrophobicContact CE1-CG2 4.15Å; F154-L179 HydrophobicContact CE2-CB 4.43Å; F154-L179 HydrophobicContact CE2-CD1 3.9Å; F154-L179 HydrophobicContact CZ-CB 4.16Å; F154-L179 HydrophobicContact CZ-CD1 3.93Å; F154-A185 HydrophobicContact CE2-CB 3.78Å; F154-A185 HydrophobicContact CZ-CB 4.04Å; F154-M188 HydrophobicContact CB-CB 4.36Å; F154-M188 HydrophobicContact CD2-CB 3.51Å; F154-M188 HydrophobicContact CD2-SD 4.44Å; F154-M188 HydrophobicContact CE2-CB 4.05Å; F154-M188 HydrophobicContact CG-CB 4.08Å; F154-L189 HydrophobicContact CD1-CB 4.05Å; F154-L189 HydrophobicContact CD1-CD1 4.01Å; F154-L189 HydrophobicContact CE1-CB 3.71Å; F154-L189 HydrophobicContact CE1-CD1 3.81Å; F154-L189 HydrophobicContact CE1-CG 4.3Å; F154-L189 HydrophobicContact CZ-CB 4.22Å
155	S	92.1	Very high	94.1	Very high	84 Å²	84	49.1 Å²	49.1	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-66.1	-19.7	177.9	61.4	0	0	0	0	113.8	K152 C153	K152-S155 PolarHBondContact O-OG 3.44Å; C153-S155 VanDerWaalsContact C-N 3.28Å; C153-S155 PolarHBondContact O-N 2.94Å
156	V	94.2	Very high	94	Very high	50 Å²	50	50.2 Å²	50.2	30%	0.303	26%	0.261	S	S	.	.	H	α-helix	trans	-98.6	-41.6	-179.2	-176.1	0	0	0	0	111.1	L116 L119 C153 F154 P159	L116-V156 HydrophobicContact CB-CG1 4.26Å; L116-V156 HydrophobicContact CD2-CB 4.43Å; L116-V156 HydrophobicContact CD2-CG1 4.37Å; L116-V156 VanDerWaalsContact O-CG1 3.25Å; L116-V156 WeakPolarHBondContact O-CG1 3.16Å; L119-V156 HydrophobicContact CB-CG1 4.18Å; C153-V156 WeakPolarHBondContact O-CA 3.43Å; C153-V156 WeakPolarHBondContact O-CB 3.24Å; C153-V156 PolarHBondContact O-N 3.39Å; F154-V156 PolarHBondContact O-N 2.91Å; V156-P159 WeakPolarHBondContact O-CD 3.39Å
157	I	95.5	Very high	94.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-82.5	-30.5	-176.2	69.6	178.6	0	0	0	112.8	L116 L119 C153 F154 C160 T172 I175 I176 L179	L116-I157 HydrophobicContact CD2-CG2 4.06Å; L119-I157 HydrophobicContact CD1-CG2 3.8Å; C153-I157 HydrophobicContact CB-CG2 4.37Å; C153-I157 WeakPolarHBondContact O-CG1 3.36Å; C153-I157 PolarHBondContact O-N 3.1Å; F154-I157 HydrophobicContact CD1-CD1 4.38Å; I157-C160 VanDerWaalsContact O-CB 3.26Å; I157-C160 WeakPolarHBondContact O-CB 3.32Å; I157-C160 PolarHBondContact O-N 3.36Å; I157-T172 HydrophobicContact CB-CG2 4.22Å; I157-T172 WeakPolarHBondContact O-CG2 3.42Å; I157-I175 HydrophobicContact CD1-CG2 3.82Å; I157-I176 HydrophobicContact CD1-CG1 3.84Å; I157-L179 HydrophobicContact CD1-CD1 4.03Å
158	T	94.2	Very high	94.2	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.031	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-58.8	-42.6	-179.9	-67.2	0	0	0	0	112.7	F154 C160 L161 S192	F154-T158 WeakPolarHBondContact O-CB 3.04Å; F154-T158 PolarHBondContact O-N 3.15Å; F154-T158 PolarHBondContact O-OG1 3Å; T158-C160 PolarHBondContact O-N 2.86Å; T158-L161 HydrophobicContact CG2-CD1 4.49Å; T158-L161 VanDerWaalsContact O-CB 3.27Å; T158-L161 WeakPolarHBondContact O-CB 3.32Å; T158-L161 PolarHBondContact O-N 3.29Å; T158-L161 VanDerWaalsContact O-N 3.09Å; T158-S192 VanDerWaalsContact CG2-O 3.31Å; T158-S192 WeakPolarHBondContact CG2-O 3.37Å; T158-S192 PolarHBondContact OG1-OG 2.63Å
159	P	94.1	Very high	94.3	Very high	80 Å²	80	47.6 Å²	47.6	52%	0.519	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-55.3	-30.9	171.8	-28.9	35.6	0	0	0	114.8	V156 L161 K162	V156-P159 WeakPolarHBondContact O-CD 3.39Å; P159-L161 PolarHBondContact O-N 3.23Å; P159-K162 PolarHBondContact O-N 2.7Å; P159-K162 VanDerWaalsContact O-N 3.1Å
160	C	94.9	Very high	94.4	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.054	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66.9	-20.6	178.9	-55.9	0	0	0	0	113.2	I157 T158 K162 S163 V168 T172	I157-C160 VanDerWaalsContact O-CB 3.26Å; I157-C160 WeakPolarHBondContact O-CB 3.32Å; I157-C160 PolarHBondContact O-N 3.36Å; T158-C160 PolarHBondContact O-N 2.86Å; C160-K162 PolarHBondContact O-N 2.83Å; C160-S163 WeakPolarHBondContact O-CB 3.47Å; C160-S163 PolarHBondContact O-N 2.74Å; C160-S163 VanDerWaalsContact O-N 3.09Å; C160-V168 HydrophobicContact CB-CG1 4.09Å; C160-T172 HydrophobicContact CB-CG2 4Å; C160-T172 WeakPolarHBondContact CB-OG1 3.47Å
161	L	95	Very high	94.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-63.9	-21.9	172.6	-65	177.1	0	0	0	112.7	T158 P159 S163 Q169 T172 L173 I176 T197 L198 L201	T158-L161 HydrophobicContact CG2-CD1 4.49Å; T158-L161 VanDerWaalsContact O-CB 3.27Å; T158-L161 WeakPolarHBondContact O-CB 3.32Å; T158-L161 PolarHBondContact O-N 3.29Å; T158-L161 VanDerWaalsContact O-N 3.09Å; P159-L161 PolarHBondContact O-N 3.23Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-Q169 PolarHBondContact O-NE2 2.72Å; L161-T172 HydrophobicContact CD2-CG2 3.55Å; L161-T172 HydrophobicContact CG-CG2 3.83Å; L161-L173 HydrophobicContact CD2-CD2 3.65Å; L161-L173 HydrophobicContact CD2-CG 3.7Å; L161-I176 HydrophobicContact CD1-CD1 3.79Å; L161-I176 HydrophobicContact CD2-CD1 4.13Å; L161-I176 HydrophobicContact CG-CD1 4.23Å; L161-T197 HydrophobicContact CB-CG2 3.56Å; L161-T197 HydrophobicContact CD1-CG2 4.22Å; L161-L198 HydrophobicContact CD1-CD2 3.99Å; L161-L198 HydrophobicContact CD1-CG 4.16Å; L161-L201 HydrophobicContact CB-CD1 4.01Å; L161-L201 HydrophobicContact CD2-CD1 4.09Å
162	K	93.2	Very high	94.7	Very high	127 Å²	127	41.5 Å²	41.5	55%	0.552	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-91.5	7.3	175.9	-60.3	-176.1	179.1	177.6	0	113	P159 C160 T197	P159-K162 PolarHBondContact O-N 2.7Å; P159-K162 VanDerWaalsContact O-N 3.1Å; C160-K162 PolarHBondContact O-N 2.83Å; K162-T197 HydrophobicContact CD-CG2 4.32Å; K162-T197 WeakPolarHBondContact CE-OG1 2.7Å; K162-T197 HydrophobicContact CG-CG2 3.6Å
163	S	92.9	Very high	95	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.042	20%	0.195	C	C	.	.			trans	-60.4	142.5	177.6	-179.9	0	0	0	0	111	E125 C160 L161 D165 Q169	E125-S163 PolarHBondContact OE2-OG 3.43Å; C160-S163 WeakPolarHBondContact O-CB 3.47Å; C160-S163 PolarHBondContact O-N 2.74Å; C160-S163 VanDerWaalsContact O-N 3.09Å; L161-S163 VanDerWaalsContact C-N 3.34Å; S163-D165 PolarHBondContact O-N 3.21Å; S163-D165 PolarHBondContact OG-N 2.85Å; S163-D165 VanDerWaalsContact OG-N 3.13Å; S163-Q169 PolarHBondContact O-NE2 3.21Å
164	P	92.1	Very high	95.1	Very high	110 Å²	110	36.3 Å²	36.3	71%	0.714	21%	0.205	S	C	*	.	S	Bend	trans	-67.9	-14.5	170.4	30.1	-36.8	0	0	0	113.1
165	D	93.8	Very high	95.2	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	20%	0.204	C	C	.	.			trans	-91	116.5	-179.4	-170.3	-25.9	0	0	0	111	E125 S163 D167 V168 Q169	E125-D165 HydrophobicContact CB-CB 4.38Å; S163-D165 PolarHBondContact O-N 3.21Å; S163-D165 PolarHBondContact OG-N 2.85Å; S163-D165 VanDerWaalsContact OG-N 3.13Å; D165-D167 PolarHBondContact O-N 3.14Å; D165-D167 PolarHBondContact OD1-N 2.86Å; D165-V168 HydrophobicContact CB-CB 4.15Å; D165-V168 HydrophobicContact CB-CG2 3.7Å; D165-V168 WeakPolarHBondContact O-CB 3.29Å; D165-V168 PolarHBondContact O-N 3.21Å; D165-Q169 PolarHBondContact O-N 3.01Å; D165-Q169 VanDerWaalsContact O-N 3.14Å
166	P	95	Very high	95.5	Very high	28 Å²	28	32.2 Å²	32.2	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-27	-179.6	27.8	-36.5	0	0	0	113.4	Q169 K170 Y206 I209	P166-Q169 PolarHBondContact O-N 3.21Å; P166-K170 VanDerWaalsContact O-CB 3.28Å; P166-K170 WeakPolarHBondContact O-CB 3.48Å; P166-K170 PolarHBondContact O-N 3.18Å; P166-Y206 HydrophobicContact CB-CD1 4.32Å; P166-Y206 HydrophobicContact CB-CD2 3.85Å; P166-Y206 HydrophobicContact CB-CE1 4.14Å; P166-Y206 HydrophobicContact CB-CE2 3.67Å; P166-Y206 HydrophobicContact CB-CG 4.18Å; P166-Y206 HydrophobicContact CG-CE1 4.06Å; P166-Y206 HydrophobicContact CG-CE2 4.06Å; P166-I209 HydrophobicContact CB-CD1 3.77Å
167	D	95.7	Very high	95.6	Very high	77 Å²	77	32.6 Å²	32.6	41%	0.412	17%	0.173	S	C	.	.	H	α-helix	trans	-73.2	-34.9	178.6	-69.3	-52.3	0	0	0	110.7	E129 D165 N171	E129-D167 HydrophobicContact CG-CB 3.8Å; D165-D167 PolarHBondContact O-N 3.14Å; D165-D167 PolarHBondContact OD1-N 2.86Å; D167-N171 WeakPolarHBondContact O-CB 3.16Å; D167-N171 VanDerWaalsContact O-CG 3.23Å; D167-N171 PolarHBondContact O-N 3.24Å; D167-N171 PolarHBondContact O-ND2 3.31Å
168	V	96.1	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-47.2	170	179.3	0	0	0	0	110.4	K128 E129 C160 D165 T172	K128-V168 HydrophobicContact CB-CG1 4.32Å; K128-V168 HydrophobicContact CB-CG2 4.2Å; E129-V168 HydrophobicContact CB-CG2 3.81Å; C160-V168 HydrophobicContact CB-CG1 4.09Å; D165-V168 HydrophobicContact CB-CB 4.15Å; D165-V168 HydrophobicContact CB-CG2 3.7Å; D165-V168 WeakPolarHBondContact O-CB 3.29Å; D165-V168 PolarHBondContact O-N 3.21Å; V168-T172 VanDerWaalsContact O-CB 3.31Å; V168-T172 WeakPolarHBondContact O-CB 3.29Å; V168-T172 PolarHBondContact O-N 3.11Å; V168-T172 PolarHBondContact O-OG1 2.95Å
169	Q	96.5	Very high	95.8	Very high	23 Å²	23	34.1 Å²	34.1	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-50.3	177.9	-65.8	-179.3	-9.3	0	0	111.1	L161 S163 D165 P166 T172 L173 I209	L161-Q169 PolarHBondContact O-NE2 2.72Å; S163-Q169 PolarHBondContact O-NE2 3.21Å; D165-Q169 PolarHBondContact O-N 3.01Å; D165-Q169 VanDerWaalsContact O-N 3.14Å; P166-Q169 PolarHBondContact O-N 3.21Å; Q169-T172 WeakPolarHBondContact O-CB 3.4Å; Q169-T172 PolarHBondContact O-N 2.81Å; Q169-L173 VanDerWaalsContact O-CG 3.29Å; Q169-L173 WeakPolarHBondContact O-CG 3.3Å; Q169-L173 PolarHBondContact O-N 3.06Å; Q169-I209 HydrophobicContact CB-CD1 4.16Å
170	K	97.3	Very high	95.9	Very high	76 Å²	76	30.3 Å²	30.3	33%	0.33	16%	0.155	S	C	.	.	H	α-helix	trans	-58.3	-51.3	179.9	-176.2	-152.1	169.9	-157.2	0	111.7	P166 T172 L173 D174 V208 L212	P166-K170 VanDerWaalsContact O-CB 3.28Å; P166-K170 WeakPolarHBondContact O-CB 3.48Å; P166-K170 PolarHBondContact O-N 3.18Å; K170-T172 VanDerWaalsContact C-N 3.26Å; K170-T172 PolarHBondContact O-N 3.46Å; K170-L173 WeakPolarHBondContact O-CB 3.41Å; K170-L173 PolarHBondContact O-N 3.11Å; K170-L173 VanDerWaalsContact O-N 3.17Å; K170-D174 PolarHBondContact O-N 2.97Å; K170-V208 HydrophobicContact CG-CG1 4.46Å; K170-L212 HydrophobicContact CG-CD2 4.19Å
171	N	97.3	Very high	95.8	Very high	14 Å²	14	34.8 Å²	34.8	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-35.9	179.8	-69.6	-28.5	0	0	0	111.7	E129 A132 D167 D174 I175	E129-N171 PolarHBondContact O-ND2 3.45Å; A132-N171 HydrophobicContact CB-CB 3.69Å; D167-N171 WeakPolarHBondContact O-CB 3.16Å; D167-N171 VanDerWaalsContact O-CG 3.23Å; D167-N171 PolarHBondContact O-N 3.24Å; D167-N171 PolarHBondContact O-ND2 3.31Å; N171-D174 PolarHBondContact O-N 2.99Å; N171-I175 WeakPolarHBondContact O-CG1 3.48Å; N171-I175 PolarHBondContact O-N 3.13Å; N171-I175 VanDerWaalsContact O-N 3.13Å
172	T	97.3	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-43.3	174.9	-57.2	0	0	0	0	111.6	I157 C160 L161 V168 Q169 K170 D174 I175 I176	I157-T172 HydrophobicContact CB-CG2 4.22Å; I157-T172 WeakPolarHBondContact O-CG2 3.42Å; C160-T172 HydrophobicContact CB-CG2 4Å; C160-T172 WeakPolarHBondContact CB-OG1 3.47Å; L161-T172 HydrophobicContact CD2-CG2 3.55Å; L161-T172 HydrophobicContact CG-CG2 3.83Å; V168-T172 VanDerWaalsContact O-CB 3.31Å; V168-T172 WeakPolarHBondContact O-CB 3.29Å; V168-T172 PolarHBondContact O-N 3.11Å; V168-T172 PolarHBondContact O-OG1 2.95Å; Q169-T172 WeakPolarHBondContact O-CB 3.4Å; Q169-T172 PolarHBondContact O-N 2.81Å; K170-T172 VanDerWaalsContact C-N 3.26Å; K170-T172 PolarHBondContact O-N 3.46Å; T172-D174 VanDerWaalsContact C-N 3.34Å; T172-I175 WeakPolarHBondContact O-CB 3.46Å; T172-I175 PolarHBondContact O-N 3.01Å; T172-I176 HydrophobicContact CG2-CD1 4.31Å; T172-I176 WeakPolarHBondContact O-CG1 3.49Å; T172-I176 PolarHBondContact O-N 3.2Å
173	L	97.8	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-38.3	175.7	-72	166.8	0	0	0	112.1	L161 Q169 K170 I175 I176 Y177 L198 L201 I209 L212 V213 V216	L161-L173 HydrophobicContact CD2-CD2 3.65Å; L161-L173 HydrophobicContact CD2-CG 3.7Å; Q169-L173 VanDerWaalsContact O-CG 3.29Å; Q169-L173 WeakPolarHBondContact O-CG 3.3Å; Q169-L173 PolarHBondContact O-N 3.06Å; K170-L173 WeakPolarHBondContact O-CB 3.41Å; K170-L173 PolarHBondContact O-N 3.11Å; K170-L173 VanDerWaalsContact O-N 3.17Å; L173-I175 VanDerWaalsContact C-N 3.34Å; L173-I175 PolarHBondContact O-N 2.73Å; L173-I176 PolarHBondContact O-N 3.02Å; L173-Y177 VanDerWaalsContact O-CB 3.3Å; L173-Y177 WeakPolarHBondContact O-CB 3.41Å; L173-Y177 PolarHBondContact O-N 3.36Å; L173-L198 HydrophobicContact CD2-CD2 3.31Å; L173-L201 HydrophobicContact CD2-CD1 4.49Å; L173-I209 HydrophobicContact CD1-CG2 3.9Å; L173-L212 HydrophobicContact CB-CD2 3.37Å; L173-L212 HydrophobicContact CB-CG 3.73Å; L173-L212 HydrophobicContact CD1-CB 4.44Å; L173-L212 HydrophobicContact CD1-CD2 4.22Å; L173-L212 HydrophobicContact CD1-CG 4.45Å; L173-L212 HydrophobicContact CG-CD2 4.44Å; L173-V213 HydrophobicContact CD1-CG2 3.74Å; L173-V213 HydrophobicContact CD2-CG2 3.74Å; L173-V213 HydrophobicContact CG-CG2 4.42Å; L173-V216 HydrophobicContact CD2-CG2 4.41Å
174	D	97.4	Very high	95.4	Very high	40 Å²	40	40.6 Å²	40.6	21%	0.214	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-42.1	174.8	-78.5	-37.4	0	0	0	111.3	S136 K170 N171 T172 Y177 M178 L212	S136-D174 WeakPolarHBondContact OG-CB 3.37Å; K170-D174 PolarHBondContact O-N 2.97Å; N171-D174 PolarHBondContact O-N 2.99Å; T172-D174 VanDerWaalsContact C-N 3.34Å; D174-Y177 PolarHBondContact O-N 3.05Å; D174-M178 VanDerWaalsContact O-CG 3.31Å; D174-M178 WeakPolarHBondContact O-CG 3.35Å; D174-M178 PolarHBondContact O-N 3.41Å; D174-L212 WeakPolarHBondContact OD1-CD2 3.45Å
175	I	97.7	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-55.4	172.5	-63.6	164	0	0	0	109.6	A132 L135 L148 I157 N171 T172 L173 Y177 M178 L179	A132-I175 HydrophobicContact CB-CD1 4.36Å; L135-I175 HydrophobicContact CB-CD1 3.65Å; L135-I175 HydrophobicContact CB-CG1 4.2Å; L135-I175 HydrophobicContact CD1-CD1 4.41Å; L148-I175 HydrophobicContact CD2-CG2 4.11Å; I157-I175 HydrophobicContact CD1-CG2 3.82Å; N171-I175 WeakPolarHBondContact O-CG1 3.48Å; N171-I175 PolarHBondContact O-N 3.13Å; N171-I175 VanDerWaalsContact O-N 3.13Å; T172-I175 WeakPolarHBondContact O-CB 3.46Å; T172-I175 PolarHBondContact O-N 3.01Å; L173-I175 VanDerWaalsContact C-N 3.34Å; L173-I175 PolarHBondContact O-N 2.73Å; I175-Y177 VanDerWaalsContact C-N 3.31Å; I175-Y177 PolarHBondContact O-N 3.3Å; I175-M178 PolarHBondContact O-N 3.28Å; I175-M178 VanDerWaalsContact O-N 3.15Å; I175-L179 HydrophobicContact CG2-CD1 3.73Å; I175-L179 HydrophobicContact CG2-CG 4.06Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 2.84Å; I175-L179 PolarHBondContact O-N 3.41Å
176	I	97.5	Very high	95.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-45.6	-177.7	-66.6	171.2	0	0	0	110.7	F154 I157 L161 T172 L173 M178 L179 L180 L189 V216	F154-I176 HydrophobicContact CE1-CG1 4.09Å; F154-I176 HydrophobicContact CE1-CG2 4.15Å; I157-I176 HydrophobicContact CD1-CG1 3.84Å; L161-I176 HydrophobicContact CD1-CD1 3.79Å; L161-I176 HydrophobicContact CD2-CD1 4.13Å; L161-I176 HydrophobicContact CG-CD1 4.23Å; T172-I176 HydrophobicContact CG2-CD1 4.31Å; T172-I176 WeakPolarHBondContact O-CG1 3.49Å; T172-I176 PolarHBondContact O-N 3.2Å; L173-I176 PolarHBondContact O-N 3.02Å; I176-M178 VanDerWaalsContact C-N 3.32Å; I176-M178 PolarHBondContact O-N 3.06Å; I176-L179 PolarHBondContact O-N 2.95Å; I176-L180 HydrophobicContact CG2-CD1 3.91Å; I176-L180 HydrophobicContact CG2-CG 4.3Å; I176-L180 VanDerWaalsContact O-CG 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 3.27Å; I176-L189 HydrophobicContact CG2-CD1 4.34Å; I176-L189 HydrophobicContact CG2-CD2 4.42Å; I176-V216 HydrophobicContact CG2-CG1 3.73Å; I176-V216 HydrophobicContact CG2-CG2 4.27Å
177	Y	97.1	Very high	95.3	Very high	58 Å²	58	36.7 Å²	36.7	23%	0.227	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-42.5	178.8	177.4	-119.3	0	0	0	112.2	L173 D174 I175 K215 R219	L173-Y177 VanDerWaalsContact O-CB 3.3Å; L173-Y177 WeakPolarHBondContact O-CB 3.41Å; L173-Y177 PolarHBondContact O-N 3.36Å; D174-Y177 PolarHBondContact O-N 3.05Å; I175-Y177 VanDerWaalsContact C-N 3.31Å; I175-Y177 PolarHBondContact O-N 3.3Å; Y177-K215 HydrophobicContact CD2-CB 4.17Å; Y177-K215 HydrophobicContact CE2-CB 3.97Å; Y177-R219 VanDerWaalsContact CE2-CZ 3.44Å; Y177-R219 PolarHBondContact O-NH1 2.98Å; Y177-R219 PolarHBondContact OH-NH2 3.4Å
178	M	96.8	Very high	95.2	Very high	37 Å²	37	35.1 Å²	35.1	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-43.5	175.8	-69.7	-62.3	108.2	0	0	112.3	C139 I145 D174 I175 I176 L180 Q181	C139-M178 HydrophobicContact CB-CB 3.62Å; C139-M178 HydrophobicContact CB-CG 4.03Å; I145-M178 WeakPolarHBondContact CD1-O 3.43Å; D174-M178 VanDerWaalsContact O-CG 3.31Å; D174-M178 WeakPolarHBondContact O-CG 3.35Å; D174-M178 PolarHBondContact O-N 3.41Å; I175-M178 PolarHBondContact O-N 3.28Å; I175-M178 VanDerWaalsContact O-N 3.15Å; I176-M178 VanDerWaalsContact C-N 3.32Å; I176-M178 PolarHBondContact O-N 3.06Å; M178-L180 VanDerWaalsContact C-N 3.31Å; M178-L180 PolarHBondContact O-N 3.34Å; M178-Q181 WeakPolarHBondContact O-CB 3.16Å; M178-Q181 WeakPolarHBondContact O-CG 3.11Å; M178-Q181 PolarHBondContact O-N 2.92Å; M178-Q181 PolarHBondContact O-NE2 3.13Å
179	L	97.1	Very high	95.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-36.9	-179.7	-69	178.8	0	0	0	112.6	I145 L148 I149 C153 F154 I157 I175 I176 Q181 D182 A185	I145-L179 HydrophobicContact CB-CD2 4.3Å; I145-L179 HydrophobicContact CG1-CD2 4.49Å; I145-L179 HydrophobicContact CG2-CD2 3.94Å; L148-L179 HydrophobicContact CB-CD2 3.92Å; I149-L179 HydrophobicContact CG1-CD2 4.12Å; C153-L179 WeakPolarHBondContact SG-CD1 3.27Å; F154-L179 HydrophobicContact CE2-CB 4.43Å; F154-L179 HydrophobicContact CE2-CD1 3.9Å; F154-L179 HydrophobicContact CZ-CB 4.16Å; F154-L179 HydrophobicContact CZ-CD1 3.93Å; I157-L179 HydrophobicContact CD1-CD1 4.03Å; I175-L179 HydrophobicContact CG2-CD1 3.73Å; I175-L179 HydrophobicContact CG2-CG 4.06Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 2.84Å; I175-L179 PolarHBondContact O-N 3.41Å; I176-L179 PolarHBondContact O-N 2.95Å; L179-Q181 PolarHBondContact O-N 3.02Å; L179-D182 PolarHBondContact O-N 3.24Å; L179-A185 HydrophobicContact CB-CB 4.12Å; L179-A185 VanDerWaalsContact O-CB 3.25Å; L179-A185 WeakPolarHBondContact O-CB 3.44Å
180	L	95.5	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-3.6	-179.3	-70.1	170.9	0	0	0	114.8	I176 M178 R186 L189 V216 R219 A220	I176-L180 HydrophobicContact CG2-CD1 3.91Å; I176-L180 HydrophobicContact CG2-CG 4.3Å; I176-L180 VanDerWaalsContact O-CG 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 3.27Å; M178-L180 VanDerWaalsContact C-N 3.31Å; M178-L180 PolarHBondContact O-N 3.34Å; L180-R186 HydrophobicContact CD2-CB 4.39Å; L180-R186 HydrophobicContact CD2-CG 3.85Å; L180-L189 HydrophobicContact CD1-CD2 4.24Å; L180-L189 HydrophobicContact CD2-CD2 4.08Å; L180-V216 HydrophobicContact CD1-CG1 3.78Å; L180-R219 HydrophobicContact CB-CB 4.38Å; L180-R219 HydrophobicContact CB-CG 3.84Å; L180-R219 WeakPolarHBondContact O-CD 3.38Å; L180-A220 HydrophobicContact CD1-CB 3.97Å; L180-A220 HydrophobicContact CD2-CB 4.36Å
181	Q	92.4	Very high	94.6	Very high	103 Å²	103	38.7 Å²	38.7	48%	0.481	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.5	165.8	-69.4	178.8	89.6	0	0	111.2	M178 L179	M178-Q181 WeakPolarHBondContact O-CB 3.16Å; M178-Q181 WeakPolarHBondContact O-CG 3.11Å; M178-Q181 PolarHBondContact O-N 2.92Å; M178-Q181 PolarHBondContact O-NE2 3.13Å; L179-Q181 PolarHBondContact O-N 3.02Å
182	D	92	Very high	94.3	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.07	20%	0.201	C	C	.	.	S	Bend	trans	-84.7	137.1	171.6	-154.6	-57.7	0	0	0	110.4	Y142 I145 I149 L179 E184 A185	Y142-D182 PolarHBondContact OH-OD2 3.45Å; I145-D182 HydrophobicContact CG2-CB 4.31Å; I149-D182 HydrophobicContact CD1-CB 3.48Å; I149-D182 VanDerWaalsContact CD1-CB 3.48Å; L179-D182 PolarHBondContact O-N 3.24Å; D182-E184 VanDerWaalsContact C-N 3.27Å; D182-E184 PolarHBondContact O-N 3.32Å; D182-E184 PolarHBondContact OD1-N 3.31Å; D182-A185 PolarHBondContact O-N 2.83Å
183	F	90.3	Very high	93.7	Very high	137 Å²	137	45.6 Å²	45.6	60%	0.601	23%	0.231	S	C	*	.	S	Bend	trans	-72	-24.7	179.8	67.9	-88.7	0	0	0	111.8	A185 R186 P187	F183-A185 VanDerWaalsContact C-N 3.31Å; F183-A185 PolarHBondContact O-N 3.32Å; F183-R186 PolarHBondContact O-N 3.04Å; F183-P187 WeakPolarHBondContact O-CD 3.41Å
184	E	92	Very high	93.4	Very high	106 Å²	106	45.6 Å²	45.6	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.4	178.1	-65.2	-167.5	176.1	0	0	112.8	I149 D182 R186 P187 M188	I149-E184 HydrophobicContact CG2-CB 4.34Å; D182-E184 VanDerWaalsContact C-N 3.27Å; D182-E184 PolarHBondContact O-N 3.32Å; D182-E184 PolarHBondContact OD1-N 3.31Å; E184-R186 VanDerWaalsContact C-N 3.28Å; E184-R186 PolarHBondContact O-N 3.4Å; E184-P187 VanDerWaalsContact O-CD 3.3Å; E184-P187 WeakPolarHBondContact O-CD 3.45Å; E184-P187 WeakPolarHBondContact O-CG 3.3Å; E184-M188 WeakPolarHBondContact O-CG 3.33Å
185	A	94	Very high	93.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-27.1	178.6	0	0	0	0	0	113.4	I149 F154 L179 D182 F183 M188 L189	I149-A185 HydrophobicContact CD1-CB 4.07Å; I149-A185 HydrophobicContact CG1-CB 4.41Å; F154-A185 HydrophobicContact CE2-CB 3.78Å; F154-A185 HydrophobicContact CZ-CB 4.04Å; L179-A185 HydrophobicContact CB-CB 4.12Å; L179-A185 VanDerWaalsContact O-CB 3.25Å; L179-A185 WeakPolarHBondContact O-CB 3.44Å; D182-A185 PolarHBondContact O-N 2.83Å; F183-A185 VanDerWaalsContact C-N 3.31Å; F183-A185 PolarHBondContact O-N 3.32Å; A185-M188 WeakPolarHBondContact O-CB 3.49Å; A185-M188 PolarHBondContact O-N 3.38Å; A185-L189 PolarHBondContact O-N 2.97Å
186	R	92.4	Very high	93.1	Very high	33 Å²	33	47.6 Å²	47.6	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-51.5	-173	-51.4	-178.6	-173.9	175.1	-8.9	112.9	L180 F183 E184 M188 L189 K190 D223 I226	L180-R186 HydrophobicContact CD2-CB 4.39Å; L180-R186 HydrophobicContact CD2-CG 3.85Å; F183-R186 PolarHBondContact O-N 3.04Å; E184-R186 VanDerWaalsContact C-N 3.28Å; E184-R186 PolarHBondContact O-N 3.4Å; R186-M188 PolarHBondContact O-N 3.04Å; R186-L189 PolarHBondContact O-N 2.86Å; R186-K190 PolarHBondContact O-N 3.41Å; R186-D223 HydrophobicContact CB-CB 4.18Å; R186-D223 VanDerWaalsContact CD-CB 3.48Å; R186-D223 HydrophobicContact CG-CB 4.46Å; R186-I226 HydrophobicContact CB-CG1 4.37Å; R186-I226 WeakPolarHBondContact O-CD1 3.48Å
187	P	91.5	Very high	93	Very high	54 Å²	54	47.8 Å²	47.8	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-28.8	173.7	24.4	-34.7	0	0	0	113	F183 E184 K190 A191	F183-P187 WeakPolarHBondContact O-CD 3.41Å; E184-P187 VanDerWaalsContact O-CD 3.3Å; E184-P187 WeakPolarHBondContact O-CD 3.45Å; E184-P187 WeakPolarHBondContact O-CG 3.3Å; P187-K190 PolarHBondContact O-N 3.05Å; P187-A191 PolarHBondContact O-N 3.18Å
188	M	93.9	Very high	93	Very high	43 Å²	43	45 Å²	45	21%	0.212	23%	0.23	C	C	.	.	H	α-helix	trans	-69.1	-39.3	178.2	-58.4	176.7	85.2	0	0	112.2	I149 K152 F154 E184 A185 R186 K190 A191 S192	I149-M188 HydrophobicContact CG2-SD 4.05Å; K152-M188 HydrophobicContact CB-CE 3.85Å; K152-M188 HydrophobicContact CG-CE 3.81Å; F154-M188 HydrophobicContact CB-CB 4.36Å; F154-M188 HydrophobicContact CD2-CB 3.51Å; F154-M188 HydrophobicContact CD2-SD 4.44Å; F154-M188 HydrophobicContact CE2-CB 4.05Å; F154-M188 HydrophobicContact CG-CB 4.08Å; E184-M188 WeakPolarHBondContact O-CG 3.33Å; A185-M188 WeakPolarHBondContact O-CB 3.49Å; A185-M188 PolarHBondContact O-N 3.38Å; R186-M188 PolarHBondContact O-N 3.04Å; M188-K190 VanDerWaalsContact C-N 3.29Å; M188-K190 PolarHBondContact O-N 3.45Å; M188-A191 PolarHBondContact O-N 3.29Å; M188-A191 VanDerWaalsContact O-N 3.14Å; M188-S192 PolarHBondContact O-N 2.97Å; M188-S192 VanDerWaalsContact O-N 3.16Å; M188-S192 PolarHBondContact O-OG 3.33Å
189	L	94.4	Very high	92.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-39.6	173.2	175.9	62.9	0	0	0	112.1	F154 I176 L180 A185 R186 S192 G194 L195 L198 A220	F154-L189 HydrophobicContact CD1-CB 4.05Å; F154-L189 HydrophobicContact CD1-CD1 4.01Å; F154-L189 HydrophobicContact CE1-CB 3.71Å; F154-L189 HydrophobicContact CE1-CD1 3.81Å; F154-L189 HydrophobicContact CE1-CG 4.3Å; F154-L189 HydrophobicContact CZ-CB 4.22Å; I176-L189 HydrophobicContact CG2-CD1 4.34Å; I176-L189 HydrophobicContact CG2-CD2 4.42Å; L180-L189 HydrophobicContact CD1-CD2 4.24Å; L180-L189 HydrophobicContact CD2-CD2 4.08Å; A185-L189 PolarHBondContact O-N 2.97Å; R186-L189 PolarHBondContact O-N 2.86Å; L189-S192 PolarHBondContact O-OG 3.37Å; L189-G194 PolarHBondContact O-N 3.04Å; L189-L195 HydrophobicContact CD2-CD2 4Å; L189-L195 HydrophobicContact CG-CD2 4.08Å; L189-L198 HydrophobicContact CD1-CD1 4Å; L189-L198 HydrophobicContact CD2-CD1 4.11Å; L189-A220 HydrophobicContact CD2-CB 4.27Å
190	K	91.7	Very high	92.7	Very high	86 Å²	86	51 Å²	51	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-41.7	174.4	179	178.5	176.6	175.9	0	111.5	R186 P187 M188 S192 L195 I225 I226 A229	R186-K190 PolarHBondContact O-N 3.41Å; P187-K190 PolarHBondContact O-N 3.05Å; M188-K190 VanDerWaalsContact C-N 3.29Å; M188-K190 PolarHBondContact O-N 3.45Å; K190-S192 PolarHBondContact O-N 3.24Å; K190-L195 HydrophobicContact CB-CD1 4.3Å; K190-L195 HydrophobicContact CG-CD1 4.3Å; K190-I225 HydrophobicContact CD-CG2 3.49Å; K190-I225 VanDerWaalsContact CD-CG2 3.49Å; K190-I226 HydrophobicContact CB-CD1 3.98Å; K190-A229 HydrophobicContact CD-CB 3.91Å; K190-A229 HydrophobicContact CG-CB 4.35Å
191	A	91.5	Very high	92.7	Very high	88 Å²	88	51.7 Å²	51.7	73%	0.727	26%	0.262	S	S	*	.	H	α-helix	trans	-69.3	-18.3	-177.2	0	0	0	0	0	113.8	P187 M188	P187-A191 PolarHBondContact O-N 3.18Å; M188-A191 PolarHBondContact O-N 3.29Å; M188-A191 VanDerWaalsContact O-N 3.14Å
192	S	89.5	Confident	92.8	Very high	23 Å²	23	47.2 Å²	47.2	16%	0.161	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	12.3	-177.4	68.3	0	0	0	0	115.2	T158 M188 L189 K190 G194	T158-S192 VanDerWaalsContact CG2-O 3.31Å; T158-S192 WeakPolarHBondContact CG2-O 3.37Å; T158-S192 PolarHBondContact OG1-OG 2.63Å; M188-S192 PolarHBondContact O-N 2.97Å; M188-S192 VanDerWaalsContact O-N 3.16Å; M188-S192 PolarHBondContact O-OG 3.33Å; L189-S192 PolarHBondContact O-OG 3.37Å; K190-S192 PolarHBondContact O-N 3.24Å; S192-G194 PolarHBondContact O-N 3.31Å
193	E	86.5	Confident	92.8	Very high	136 Å²	136	52.6 Å²	52.6	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	27.9	-171.5	-57.2	178.9	-178.3	0	0	112.5	L195 E196 T197	E193-L195 VanDerWaalsContact C-N 3.34Å; E193-E196 VanDerWaalsContact CA-OE2 3.26Å; E193-E196 WeakPolarHBondContact CA-OE2 3.43Å; E193-T197 PolarHBondContact O-OG1 3.43Å
194	G	91.2	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-72	-29.4	-178.8	0	0	0	0	0	112.7	L189 S192 T197 L198	L189-G194 PolarHBondContact O-N 3.04Å; S192-G194 PolarHBondContact O-N 3.31Å; G194-T197 PolarHBondContact O-N 3.09Å; G194-L198 WeakPolarHBondContact O-CB 3.14Å; G194-L198 WeakPolarHBondContact O-CD1 3.24Å; G194-L198 WeakPolarHBondContact O-CG 3.22Å; G194-L198 PolarHBondContact O-N 3.12Å
195	L	94.7	Very high	92.9	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-43.1	-176	-60.8	180	0	0	0	111.7	L189 K190 E193 L198 I199 F217 I226 A229 L230 M233	L189-L195 HydrophobicContact CD2-CD2 4Å; L189-L195 HydrophobicContact CG-CD2 4.08Å; K190-L195 HydrophobicContact CB-CD1 4.3Å; K190-L195 HydrophobicContact CG-CD1 4.3Å; E193-L195 VanDerWaalsContact C-N 3.34Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.38Å; L195-I199 PolarHBondContact O-N 3.01Å; L195-F217 HydrophobicContact CD2-CE1 4.15Å; L195-I226 HydrophobicContact CD1-CD1 4.18Å; L195-I226 HydrophobicContact CD2-CD1 4.23Å; L195-I226 HydrophobicContact CD2-CG2 4.29Å; L195-A229 HydrophobicContact CD1-CB 3.69Å; L195-L230 HydrophobicContact CB-CD2 4.48Å; L195-M233 HydrophobicContact CB-CE 4.4Å; L195-M233 HydrophobicContact CB-SD 4.09Å
196	E	94	Very high	92.9	Very high	79 Å²	79	53.7 Å²	53.7	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-51.7	175.8	-67.2	70.9	-168.2	0	0	110.2	E193 L198 I199 E200 M233	E193-E196 VanDerWaalsContact CA-OE2 3.26Å; E193-E196 WeakPolarHBondContact CA-OE2 3.43Å; E196-L198 VanDerWaalsContact C-N 3.32Å; E196-L198 PolarHBondContact O-N 3Å; E196-I199 PolarHBondContact O-N 3.36Å; E196-E200 PolarHBondContact O-N 2.96Å; E196-E200 VanDerWaalsContact O-N 3.08Å; E196-M233 HydrophobicContact CB-CE 4.13Å; E196-M233 HydrophobicContact CG-CE 3.47Å; E196-M233 VanDerWaalsContact CG-CE 3.47Å; E196-M233 WeakPolarHBondContact OE1-CE 3.38Å
197	T	94.1	Very high	92.8	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-38	-178.3	-49.4	0	0	0	0	111.5	L161 K162 E193 G194 E200 L201	L161-T197 HydrophobicContact CB-CG2 3.56Å; L161-T197 HydrophobicContact CD1-CG2 4.22Å; K162-T197 HydrophobicContact CD-CG2 4.32Å; K162-T197 WeakPolarHBondContact CE-OG1 2.7Å; K162-T197 HydrophobicContact CG-CG2 3.6Å; E193-T197 PolarHBondContact O-OG1 3.43Å; G194-T197 PolarHBondContact O-N 3.09Å; T197-E200 PolarHBondContact O-N 3.29Å; T197-L201 WeakPolarHBondContact O-CG 3.49Å; T197-L201 PolarHBondContact O-N 3.23Å; T197-L201 VanDerWaalsContact O-N 3.17Å
198	L	96.9	Very high	92.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-37.2	175.3	-72.6	169.4	0	0	0	112	L161 L173 L189 G194 L195 E196 L201 L202 V213 V216 F217	L161-L198 HydrophobicContact CD1-CD2 3.99Å; L161-L198 HydrophobicContact CD1-CG 4.16Å; L173-L198 HydrophobicContact CD2-CD2 3.31Å; L189-L198 HydrophobicContact CD1-CD1 4Å; L189-L198 HydrophobicContact CD2-CD1 4.11Å; G194-L198 WeakPolarHBondContact O-CB 3.14Å; G194-L198 WeakPolarHBondContact O-CD1 3.24Å; G194-L198 WeakPolarHBondContact O-CG 3.22Å; G194-L198 PolarHBondContact O-N 3.12Å; L195-L198 PolarHBondContact O-N 3.41Å; E196-L198 VanDerWaalsContact C-N 3.32Å; E196-L198 PolarHBondContact O-N 3Å; L198-L201 PolarHBondContact O-N 3.03Å; L198-L202 PolarHBondContact O-N 2.98Å; L198-V213 HydrophobicContact CB-CG1 4.38Å; L198-V213 HydrophobicContact CD2-CG1 4.42Å; L198-V213 HydrophobicContact CD2-CG2 4.35Å; L198-V213 WeakPolarHBondContact O-CG1 3.3Å; L198-V216 HydrophobicContact CD1-CG1 3.72Å; L198-V216 HydrophobicContact CD2-CG1 4.2Å; L198-F217 HydrophobicContact CB-CE1 4.15Å; L198-F217 HydrophobicContact CB-CE2 3.68Å; L198-F217 HydrophobicContact CB-CZ 3.32Å; L198-F217 HydrophobicContact CD1-CE1 4.42Å; L198-F217 HydrophobicContact CD1-CZ 4.35Å; L198-F217 HydrophobicContact CG-CZ 4.46Å
199	I	95.5	Very high	93	Very high	36 Å²	36	55.6 Å²	55.6	19%	0.185	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-42.8	175	-69.4	162.1	0	0	0	110.4	L195 E196 L201 L202 F217 L230 M233 A235 A238	L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.38Å; L195-I199 PolarHBondContact O-N 3.01Å; E196-I199 PolarHBondContact O-N 3.36Å; I199-L201 VanDerWaalsContact C-N 3.27Å; I199-L201 PolarHBondContact O-N 3.42Å; I199-L202 VanDerWaalsContact O-CB 3.27Å; I199-L202 WeakPolarHBondContact O-CB 3.46Å; I199-L202 PolarHBondContact O-N 2.92Å; I199-L202 VanDerWaalsContact O-N 3.13Å; I199-F217 HydrophobicContact CG1-CE2 4.49Å; I199-F217 HydrophobicContact CG1-CZ 3.83Å; I199-L230 HydrophobicContact CD1-CD2 4.07Å; I199-M233 HydrophobicContact CD1-CE 3.58Å; I199-M233 HydrophobicContact CD1-SD 4.27Å; I199-A235 HydrophobicContact CD1-CB 3.54Å; I199-A235 HydrophobicContact CG1-CB 4.25Å; I199-A238 HydrophobicContact CG2-CB 4.29Å
200	E	94	Very high	93	Very high	126 Å²	126	56.3 Å²	56.3	59%	0.589	30%	0.3	S	S	*	.	H	α-helix	trans	-58.9	-39	176.1	-69.3	172.8	179.4	0	0	112	E196 T197 L202 V203	E196-E200 PolarHBondContact O-N 2.96Å; E196-E200 VanDerWaalsContact O-N 3.08Å; T197-E200 PolarHBondContact O-N 3.29Å; E200-L202 PolarHBondContact O-N 3.39Å; E200-V203 PolarHBondContact O-N 3.41Å
201	L	95.3	Very high	93.1	Very high	16 Å²	16	54 Å²	54	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-10.9	179.1	-70.5	175.7	0	0	0	114.4	L161 L173 T197 L198 I199 V203 S204 I209 V213	L161-L201 HydrophobicContact CB-CD1 4.01Å; L161-L201 HydrophobicContact CD2-CD1 4.09Å; L173-L201 HydrophobicContact CD2-CD1 4.49Å; T197-L201 WeakPolarHBondContact O-CG 3.49Å; T197-L201 PolarHBondContact O-N 3.23Å; T197-L201 VanDerWaalsContact O-N 3.17Å; L198-L201 PolarHBondContact O-N 3.03Å; I199-L201 VanDerWaalsContact C-N 3.27Å; I199-L201 PolarHBondContact O-N 3.42Å; L201-V203 PolarHBondContact O-N 2.93Å; L201-S204 WeakPolarHBondContact O-CB 3.32Å; L201-S204 PolarHBondContact O-N 3.44Å; L201-S204 VanDerWaalsContact O-N 3.12Å; L201-I209 HydrophobicContact CB-CG2 4.29Å; L201-I209 HydrophobicContact CD2-CG2 4.34Å; L201-V213 HydrophobicContact CB-CG2 3.71Å; L201-V213 HydrophobicContact CD1-CG2 4.37Å
202	L	94.1	Very high	93.3	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.4	171.6	-68.8	173	0	0	0	112.3	L198 I199 E200 Q210 V213 L214 F217 A238 F239 I242	L198-L202 PolarHBondContact O-N 2.98Å; I199-L202 VanDerWaalsContact O-CB 3.27Å; I199-L202 WeakPolarHBondContact O-CB 3.46Å; I199-L202 PolarHBondContact O-N 2.92Å; I199-L202 VanDerWaalsContact O-N 3.13Å; E200-L202 PolarHBondContact O-N 3.39Å; L202-Q210 PolarHBondContact O-NE2 3.34Å; L202-V213 HydrophobicContact CD2-CB 4.29Å; L202-V213 HydrophobicContact CD2-CG1 3.49Å; L202-V213 VanDerWaalsContact CD2-CG1 3.49Å; L202-V213 HydrophobicContact CG-CG1 3.98Å; L202-L214 HydrophobicContact CD2-CD2 3.62Å; L202-L214 HydrophobicContact CD2-CG 3.95Å; L202-F217 HydrophobicContact CD1-CE2 4.32Å; L202-F217 HydrophobicContact CD2-CD2 4.38Å; L202-F217 HydrophobicContact CD2-CE2 4.32Å; L202-F217 HydrophobicContact CG-CE2 4.34Å; L202-A238 HydrophobicContact CD1-CB 3.88Å; L202-F239 HydrophobicContact CD1-CD1 4.03Å; L202-F239 HydrophobicContact CD1-CE1 3.68Å; L202-F239 HydrophobicContact CD1-CZ 4.3Å; L202-F239 HydrophobicContact CD2-CE1 4.21Å; L202-I242 HydrophobicContact CB-CD1 4.22Å; L202-I242 HydrophobicContact CD1-CD1 4.4Å; L202-I242 HydrophobicContact CD2-CD1 3.85Å; L202-I242 HydrophobicContact CG-CD1 4.39Å
203	V	91.9	Very high	93.7	Very high	127 Å²	127	49.3 Å²	49.3	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	16.5	179	-152.7	0	0	0	0	111.7	E200 L201	E200-V203 PolarHBondContact O-N 3.41Å; L201-V203 PolarHBondContact O-N 2.93Å
204	S	92.6	Very high	94.2	Very high	17 Å²	17	42.8 Å²	42.8	12%	0.119	22%	0.222	C	C	.	.			trans	-57.7	145.4	178.6	179.8	0	0	0	0	112	L201 Y206 Q210	L201-S204 WeakPolarHBondContact O-CB 3.32Å; L201-S204 PolarHBondContact O-N 3.44Å; L201-S204 VanDerWaalsContact O-N 3.12Å; S204-Y206 PolarHBondContact O-N 3.41Å; S204-Y206 PolarHBondContact OG-N 3.32Å; S204-Q210 PolarHBondContact O-NE2 2.76Å
205	E	91.6	Very high	94.4	Very high	138 Å²	138	46.7 Å²	46.7	65%	0.645	24%	0.239	S	C	*	.	S	Bend	trans	-68.9	-10.5	175.2	-60.5	-174.2	175.5	0	0	113	P207 N306	E205-P207 WeakPolarHBondContact O-CD 3.2Å; E205-N306 VanDerWaalsContact CD-ND2 3.29Å; E205-N306 PolarHBondContact OE1-ND2 2.81Å
206	Y	92.9	Very high	94.5	Very high	111 Å²	111	46.6 Å²	46.6	44%	0.435	24%	0.238	S	C	.	.			trans	-106	110.3	-176.2	-56.1	-82.4	0	0	0	110.9	P166 S204 V208 I209 Q210	P166-Y206 HydrophobicContact CB-CD1 4.32Å; P166-Y206 HydrophobicContact CB-CD2 3.85Å; P166-Y206 HydrophobicContact CB-CE1 4.14Å; P166-Y206 HydrophobicContact CB-CE2 3.67Å; P166-Y206 HydrophobicContact CB-CG 4.18Å; P166-Y206 HydrophobicContact CG-CE1 4.06Å; P166-Y206 HydrophobicContact CG-CE2 4.06Å; S204-Y206 PolarHBondContact O-N 3.41Å; S204-Y206 PolarHBondContact OG-N 3.32Å; Y206-V208 PolarHBondContact O-N 3.47Å; Y206-V208 VanDerWaalsContact O-N 3.15Å; Y206-I209 HydrophobicContact CD2-CD1 3.75Å; Y206-I209 HydrophobicContact CG-CD1 3.98Å; Y206-I209 WeakPolarHBondContact O-CB 3.32Å; Y206-I209 PolarHBondContact O-N 3.5Å; Y206-Q210 PolarHBondContact O-N 3.44Å
207	P	91	Very high	94.7	Very high	72 Å²	72	42.8 Å²	42.8	47%	0.468	22%	0.221	S	C	.	.	H	α-helix	trans	-57	-33.6	-179.4	-28	35.5	0	0	0	114	E205 I209 Q210 D211	E205-P207 WeakPolarHBondContact O-CD 3.2Å; P207-I209 VanDerWaalsContact C-N 3.28Å; P207-I209 PolarHBondContact O-N 2.88Å; P207-Q210 PolarHBondContact O-N 2.99Å; P207-D211 PolarHBondContact O-N 3.33Å
208	V	93	Very high	94.7	Very high	93 Å²	93	43.4 Å²	43.4	56%	0.564	23%	0.226	S	C	*	.	H	α-helix	trans	-60.5	-37.8	175.9	176.5	0	0	0	0	111.8	K170 Y206 L212	K170-V208 HydrophobicContact CG-CG1 4.46Å; Y206-V208 PolarHBondContact O-N 3.47Å; Y206-V208 VanDerWaalsContact O-N 3.15Å; V208-L212 VanDerWaalsContact O-CB 3.32Å; V208-L212 WeakPolarHBondContact O-CB 3.34Å; V208-L212 PolarHBondContact O-N 2.76Å
209	I	96	Very high	94.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-70.8	-44.9	176.7	-73.1	164.2	0	0	0	109.7	P166 Q169 L173 L201 Y206 P207 D211 L212 V213	P166-I209 HydrophobicContact CB-CD1 3.77Å; Q169-I209 HydrophobicContact CB-CD1 4.16Å; L173-I209 HydrophobicContact CD1-CG2 3.9Å; L201-I209 HydrophobicContact CB-CG2 4.29Å; L201-I209 HydrophobicContact CD2-CG2 4.34Å; Y206-I209 HydrophobicContact CD2-CD1 3.75Å; Y206-I209 HydrophobicContact CG-CD1 3.98Å; Y206-I209 WeakPolarHBondContact O-CB 3.32Å; Y206-I209 PolarHBondContact O-N 3.5Å; P207-I209 VanDerWaalsContact C-N 3.28Å; P207-I209 PolarHBondContact O-N 2.88Å; I209-D211 PolarHBondContact O-N 2.49Å; I209-L212 PolarHBondContact O-N 3.31Å; I209-V213 HydrophobicContact CG2-CG2 4.16Å; I209-V213 WeakPolarHBondContact O-CB 3.39Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 2.66Å
210	Q	94.7	Very high	94.6	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-49.7	178	-61.6	179.7	-20.8	0	0	111.9	L202 S204 Y206 P207 L212 V213 L214 I251	L202-Q210 PolarHBondContact O-NE2 3.34Å; S204-Q210 PolarHBondContact O-NE2 2.76Å; Y206-Q210 PolarHBondContact O-N 3.44Å; P207-Q210 PolarHBondContact O-N 2.99Å; Q210-L212 PolarHBondContact O-N 2.91Å; Q210-V213 PolarHBondContact O-N 2.93Å; Q210-L214 WeakPolarHBondContact O-CG 2.83Å; Q210-L214 PolarHBondContact O-N 2.74Å; Q210-I251 HydrophobicContact CB-CD1 4.12Å
211	D	94.3	Very high	94.7	Very high	36 Å²	36	38.1 Å²	38.1	19%	0.193	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-43.5	178.4	178.7	50.2	0	0	0	112	P207 I209 L214 K215 I251 S254	P207-D211 PolarHBondContact O-N 3.33Å; I209-D211 PolarHBondContact O-N 2.49Å; D211-L214 PolarHBondContact O-N 2.92Å; D211-K215 WeakPolarHBondContact O-CG 3.31Å; D211-K215 PolarHBondContact O-N 2.81Å; D211-K215 IonicContact OD1-NZ 3.89Å; D211-K215 WeakPolarHBondContact OD2-CE 3.31Å; D211-K215 IonicContact OD2-NZ 3.88Å; D211-K215 PolarHBondContact OD2-NZ 2.93Å; D211-I251 HydrophobicContact CB-CG2 3.76Å; D211-S254 PolarHBondContact OD1-OG 3.28Å
212	L	96	Very high	94.5	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.068	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-38.6	-179.6	-170	59.4	0	0	0	112.1	K170 L173 D174 V208 I209 Q210 L214 K215 V216	K170-L212 HydrophobicContact CG-CD2 4.19Å; L173-L212 HydrophobicContact CB-CD2 3.37Å; L173-L212 HydrophobicContact CB-CG 3.73Å; L173-L212 HydrophobicContact CD1-CB 4.44Å; L173-L212 HydrophobicContact CD1-CD2 4.22Å; L173-L212 HydrophobicContact CD1-CG 4.45Å; L173-L212 HydrophobicContact CG-CD2 4.44Å; D174-L212 WeakPolarHBondContact OD1-CD2 3.45Å; V208-L212 VanDerWaalsContact O-CB 3.32Å; V208-L212 WeakPolarHBondContact O-CB 3.34Å; V208-L212 PolarHBondContact O-N 2.76Å; I209-L212 PolarHBondContact O-N 3.31Å; Q210-L212 PolarHBondContact O-N 2.91Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.05Å; L212-K215 WeakPolarHBondContact O-CB 3.38Å; L212-K215 PolarHBondContact O-N 2.73Å; L212-V216 WeakPolarHBondContact O-CG2 3.24Å; L212-V216 PolarHBondContact O-N 2.72Å
213	V	97.6	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-43.7	172.2	170.8	0	0	0	0	110.8	L173 L198 L201 L202 I209 Q210 K215 V216 F217	L173-V213 HydrophobicContact CD1-CG2 3.74Å; L173-V213 HydrophobicContact CD2-CG2 3.74Å; L173-V213 HydrophobicContact CG-CG2 4.42Å; L198-V213 HydrophobicContact CB-CG1 4.38Å; L198-V213 HydrophobicContact CD2-CG1 4.42Å; L198-V213 HydrophobicContact CD2-CG2 4.35Å; L198-V213 WeakPolarHBondContact O-CG1 3.3Å; L201-V213 HydrophobicContact CB-CG2 3.71Å; L201-V213 HydrophobicContact CD1-CG2 4.37Å; L202-V213 HydrophobicContact CD2-CB 4.29Å; L202-V213 HydrophobicContact CD2-CG1 3.49Å; L202-V213 VanDerWaalsContact CD2-CG1 3.49Å; L202-V213 HydrophobicContact CG-CG1 3.98Å; I209-V213 HydrophobicContact CG2-CG2 4.16Å; I209-V213 WeakPolarHBondContact O-CB 3.39Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 2.66Å; Q210-V213 PolarHBondContact O-N 2.93Å; V213-K215 PolarHBondContact O-N 3.02Å; V213-V216 WeakPolarHBondContact O-CB 3.24Å; V213-V216 PolarHBondContact O-N 3.47Å; V213-F217 HydrophobicContact CG1-CD2 3.7Å; V213-F217 HydrophobicContact CG1-CE2 3.52Å; V213-F217 VanDerWaalsContact O-CD2 3.3Å; V213-F217 WeakPolarHBondContact O-CD2 3.27Å; V213-F217 PolarHBondContact O-N 3.13Å
214	L	97.1	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-39	176.9	-69.8	169.3	0	0	0	112.1	L202 Q210 D211 L212 F217 A218 F239 I242 I251 A255 V258	L202-L214 HydrophobicContact CD2-CD2 3.62Å; L202-L214 HydrophobicContact CD2-CG 3.95Å; Q210-L214 WeakPolarHBondContact O-CG 2.83Å; Q210-L214 PolarHBondContact O-N 2.74Å; D211-L214 PolarHBondContact O-N 2.92Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.05Å; L214-F217 PolarHBondContact O-N 3.32Å; L214-A218 WeakPolarHBondContact O-CB 3.43Å; L214-A218 PolarHBondContact O-N 3.39Å; L214-F239 HydrophobicContact CD2-CD1 3.77Å; L214-F239 HydrophobicContact CD2-CE1 4.05Å; L214-I242 HydrophobicContact CD1-CD1 4.33Å; L214-I242 HydrophobicContact CD2-CD1 3.96Å; L214-I251 HydrophobicContact CD1-CB 3.79Å; L214-I251 HydrophobicContact CD1-CD1 4.08Å; L214-I251 HydrophobicContact CD1-CG1 4.27Å; L214-A255 HydrophobicContact CD1-CB 4.14Å; L214-A255 HydrophobicContact CD2-CB 4.08Å; L214-V258 HydrophobicContact CD2-CG2 4.46Å; L214-V258 WeakPolarHBondContact O-CG2 3.48Å
215	K	96	Very high	94.4	Very high	82 Å²	82	44.1 Å²	44.1	36%	0.357	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-40.2	172.8	-73.7	168.7	176.1	166.2	0	112.4	Y177 D211 L212 V213 A218 R219	Y177-K215 HydrophobicContact CD2-CB 4.17Å; Y177-K215 HydrophobicContact CE2-CB 3.97Å; D211-K215 WeakPolarHBondContact O-CG 3.31Å; D211-K215 PolarHBondContact O-N 2.81Å; D211-K215 IonicContact OD1-NZ 3.89Å; D211-K215 WeakPolarHBondContact OD2-CE 3.31Å; D211-K215 IonicContact OD2-NZ 3.88Å; D211-K215 PolarHBondContact OD2-NZ 2.93Å; L212-K215 WeakPolarHBondContact O-CB 3.38Å; L212-K215 PolarHBondContact O-N 2.73Å; V213-K215 PolarHBondContact O-N 3.02Å; K215-A218 PolarHBondContact O-N 2.93Å; K215-R219 PolarHBondContact O-N 3.24Å
216	V	97.1	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-51.2	172	166.2	0	0	0	0	110.1	L173 I176 L180 L198 L212 V213 A218 R219 A220	L173-V216 HydrophobicContact CD2-CG2 4.41Å; I176-V216 HydrophobicContact CG2-CG1 3.73Å; I176-V216 HydrophobicContact CG2-CG2 4.27Å; L180-V216 HydrophobicContact CD1-CG1 3.78Å; L198-V216 HydrophobicContact CD1-CG1 3.72Å; L198-V216 HydrophobicContact CD2-CG1 4.2Å; L212-V216 WeakPolarHBondContact O-CG2 3.24Å; L212-V216 PolarHBondContact O-N 2.72Å; V213-V216 WeakPolarHBondContact O-CB 3.24Å; V213-V216 PolarHBondContact O-N 3.47Å; V216-A218 PolarHBondContact O-N 2.95Å; V216-R219 PolarHBondContact O-N 3.44Å; V216-A220 WeakPolarHBondContact O-CB 3.4Å; V216-A220 PolarHBondContact O-N 3.04Å
217	F	97.1	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-38.9	177.6	-79.6	-58.8	0	0	0	113	L195 L198 I199 L202 V213 L214 R219 A220 T221 L230 F239 V258	L195-F217 HydrophobicContact CD2-CE1 4.15Å; L198-F217 HydrophobicContact CB-CE1 4.15Å; L198-F217 HydrophobicContact CB-CE2 3.68Å; L198-F217 HydrophobicContact CB-CZ 3.32Å; L198-F217 HydrophobicContact CD1-CE1 4.42Å; L198-F217 HydrophobicContact CD1-CZ 4.35Å; L198-F217 HydrophobicContact CG-CZ 4.46Å; I199-F217 HydrophobicContact CG1-CE2 4.49Å; I199-F217 HydrophobicContact CG1-CZ 3.83Å; L202-F217 HydrophobicContact CD1-CE2 4.32Å; L202-F217 HydrophobicContact CD2-CD2 4.38Å; L202-F217 HydrophobicContact CD2-CE2 4.32Å; L202-F217 HydrophobicContact CG-CE2 4.34Å; V213-F217 HydrophobicContact CG1-CD2 3.7Å; V213-F217 HydrophobicContact CG1-CE2 3.52Å; V213-F217 VanDerWaalsContact O-CD2 3.3Å; V213-F217 WeakPolarHBondContact O-CD2 3.27Å; V213-F217 PolarHBondContact O-N 3.13Å; L214-F217 PolarHBondContact O-N 3.32Å; F217-R219 PolarHBondContact O-N 3.46Å; F217-A220 PolarHBondContact O-N 2.99Å; F217-T221 WeakPolarHBondContact O-CB 3.31Å; F217-T221 VanDerWaalsContact O-CG2 3.3Å; F217-T221 WeakPolarHBondContact O-CG2 3.47Å; F217-T221 PolarHBondContact O-N 3.28Å; F217-T221 PolarHBondContact O-OG1 3.07Å; F217-L230 HydrophobicContact CD1-CD1 4.1Å; F217-L230 HydrophobicContact CD1-CD2 4.49Å; F217-L230 HydrophobicContact CE1-CD1 4.31Å; F217-L230 HydrophobicContact CE1-CD2 3.89Å; F217-F239 HydrophobicContact CB-CE1 4.23Å; F217-F239 HydrophobicContact CB-CZ 4.28Å; F217-F239 HydrophobicContact CD1-CZ 4.05Å; F217-F239 AromaticContact CD2-CE1 3.55Å; F217-F239 HydrophobicContact CD2-CE1 3.55Å; F217-F239 AromaticContact CD2-CZ 3.72Å; F217-F239 HydrophobicContact CD2-CZ 3.72Å; F217-F239 HydrophobicContact CE1-CZ 4.31Å; F217-F239 AromaticContact CE2-CE1 4Å; F217-F239 HydrophobicContact CE2-CE1 4Å; F217-F239 AromaticContact CE2-CZ 3.97Å; F217-F239 HydrophobicContact CE2-CZ 3.97Å; F217-F239 AromaticContact CG-CE1 3.91Å; F217-F239 HydrophobicContact CG-CE1 3.91Å; F217-F239 AromaticContact CG-CZ 3.76Å; F217-F239 HydrophobicContact CG-CZ 3.76Å; F217-F239 HydrophobicContact CZ-CZ 4.26Å; F217-V258 HydrophobicContact CB-CG1 3.98Å; F217-V258 HydrophobicContact CB-CG2 3.66Å
218	A	94.9	Very high	94.6	Very high	16 Å²	16	32.8 Å²	32.8	13%	0.132	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-34.5	-179.7	0	0	0	0	0	111.7	L214 K215 V216 T221 Q257 V258 N261	L214-A218 WeakPolarHBondContact O-CB 3.43Å; L214-A218 PolarHBondContact O-N 3.39Å; K215-A218 PolarHBondContact O-N 2.93Å; V216-A218 PolarHBondContact O-N 2.95Å; A218-T221 PolarHBondContact O-OG1 3.42Å; A218-Q257 HydrophobicContact CB-CB 4.41Å; A218-Q257 HydrophobicContact CB-CG 3.94Å; A218-V258 HydrophobicContact CB-CG2 4.04Å; A218-N261 PolarHBondContact O-ND2 3.06Å
219	R	94.7	Very high	94.7	Very high	52 Å²	52	28.8 Å²	28.8	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-80.2	-42.7	173.9	-169.2	170	-83.4	155.6	-2.5	112.2	Y177 L180 K215 V216 F217 T221 Q222	Y177-R219 VanDerWaalsContact CE2-CZ 3.44Å; Y177-R219 PolarHBondContact O-NH1 2.98Å; Y177-R219 PolarHBondContact OH-NH2 3.4Å; L180-R219 HydrophobicContact CB-CB 4.38Å; L180-R219 HydrophobicContact CB-CG 3.84Å; L180-R219 WeakPolarHBondContact O-CD 3.38Å; K215-R219 PolarHBondContact O-N 3.24Å; V216-R219 PolarHBondContact O-N 3.44Å; F217-R219 PolarHBondContact O-N 3.46Å; R219-T221 PolarHBondContact O-N 3.02Å; R219-Q222 WeakPolarHBondContact O-CB 3.38Å; R219-Q222 WeakPolarHBondContact O-CG 3.23Å; R219-Q222 PolarHBondContact O-N 2.97Å
220	A	95.5	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-41	-179.5	0	0	0	0	0	112.6	L180 L189 V216 F217 Q222 D223 I226	L180-A220 HydrophobicContact CD1-CB 3.97Å; L180-A220 HydrophobicContact CD2-CB 4.36Å; L189-A220 HydrophobicContact CD2-CB 4.27Å; V216-A220 WeakPolarHBondContact O-CB 3.4Å; V216-A220 PolarHBondContact O-N 3.04Å; F217-A220 PolarHBondContact O-N 2.99Å; A220-Q222 PolarHBondContact O-N 2.97Å; A220-Q222 VanDerWaalsContact O-N 3.13Å; A220-D223 PolarHBondContact O-N 3.4Å; A220-D223 VanDerWaalsContact O-N 3.1Å; A220-I226 HydrophobicContact CB-CG1 4.35Å; A220-I226 HydrophobicContact CB-CG2 3.95Å; A220-I226 WeakPolarHBondContact O-CB 3.36Å; A220-I226 WeakPolarHBondContact O-CG1 3.26Å
221	T	94.7	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-2.5	-179	51.6	0	0	0	0	114.8	F217 A218 R219 D223 I226 K227 L230 V258 N261 L262	F217-T221 WeakPolarHBondContact O-CB 3.31Å; F217-T221 VanDerWaalsContact O-CG2 3.3Å; F217-T221 WeakPolarHBondContact O-CG2 3.47Å; F217-T221 PolarHBondContact O-N 3.28Å; F217-T221 PolarHBondContact O-OG1 3.07Å; A218-T221 PolarHBondContact O-OG1 3.42Å; R219-T221 PolarHBondContact O-N 3.02Å; T221-D223 PolarHBondContact O-N 3.3Å; T221-I226 HydrophobicContact CG2-CG2 4.3Å; T221-K227 WeakPolarHBondContact O-CD 3.47Å; T221-K227 VanDerWaalsContact O-CG 3.24Å; T221-K227 WeakPolarHBondContact O-CG 3.35Å; T221-L230 HydrophobicContact CG2-CD1 3.53Å; T221-V258 HydrophobicContact CG2-CG1 4.1Å; T221-N261 WeakPolarHBondContact OG1-CB 3.5Å; T221-N261 PolarHBondContact OG1-ND2 2.91Å; T221-L262 HydrophobicContact CG2-CD2 4.11Å; T221-L262 HydrophobicContact CG2-CG 4.38Å
222	Q	91.5	Very high	94.5	Very high	115 Å²	115	35.1 Å²	35.1	54%	0.537	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.9	166.3	-63.1	179.9	1.5	0	0	111.6	R219 A220	R219-Q222 WeakPolarHBondContact O-CB 3.38Å; R219-Q222 WeakPolarHBondContact O-CG 3.23Å; R219-Q222 PolarHBondContact O-N 2.97Å; A220-Q222 PolarHBondContact O-N 2.97Å; A220-Q222 VanDerWaalsContact O-N 3.13Å
223	D	91.7	Very high	94.3	Very high	31 Å²	31	37.5 Å²	37.5	17%	0.166	19%	0.19	C	C	.	.	S	Bend	trans	-92.5	140	178.5	-171.4	-84.8	0	0	0	113.2	R186 A220 T221 I225 I226 K227	R186-D223 HydrophobicContact CB-CB 4.18Å; R186-D223 VanDerWaalsContact CD-CB 3.48Å; R186-D223 HydrophobicContact CG-CB 4.46Å; A220-D223 PolarHBondContact O-N 3.4Å; A220-D223 VanDerWaalsContact O-N 3.1Å; T221-D223 PolarHBondContact O-N 3.3Å; D223-I225 PolarHBondContact O-N 2.91Å; D223-I225 WeakPolarHBondContact OD1-CA 3.42Å; D223-I225 WeakPolarHBondContact OD1-CB 3.27Å; D223-I225 PolarHBondContact OD1-N 3.15Å; D223-I226 HydrophobicContact CB-CG1 4.32Å; D223-K227 WeakPolarHBondContact O-CG 3.28Å; D223-K227 PolarHBondContact O-N 3.38Å
224	S	92	Very high	94	Very high	77 Å²	77	42.3 Å²	42.3	54%	0.538	22%	0.216	S	C	.	.	H	α-helix	trans	-67.2	-32.2	-178	67	0	0	0	0	114.1	K227 T228	S224-K227 PolarHBondContact O-N 3.45Å; S224-T228 WeakPolarHBondContact O-CB 3.4Å; S224-T228 PolarHBondContact O-N 2.7Å; S224-T228 PolarHBondContact O-OG1 3.4Å
225	I	92.4	Very high	93.8	Very high	70 Å²	70	42.5 Å²	42.5	36%	0.359	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-41.7	-179.2	-60	172.7	0	0	0	110.1	K190 D223 A229	K190-I225 HydrophobicContact CD-CG2 3.49Å; K190-I225 VanDerWaalsContact CD-CG2 3.49Å; D223-I225 PolarHBondContact O-N 2.91Å; D223-I225 WeakPolarHBondContact OD1-CA 3.42Å; D223-I225 WeakPolarHBondContact OD1-CB 3.27Å; D223-I225 PolarHBondContact OD1-N 3.15Å; I225-A229 PolarHBondContact O-N 3.1Å
226	I	94.5	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-47.6	175.6	-61.7	-55.5	0	0	0	110.8	R186 K190 L195 A220 T221 D223 T228 A229 L230	R186-I226 HydrophobicContact CB-CG1 4.37Å; R186-I226 WeakPolarHBondContact O-CD1 3.48Å; K190-I226 HydrophobicContact CB-CD1 3.98Å; L195-I226 HydrophobicContact CD1-CD1 4.18Å; L195-I226 HydrophobicContact CD2-CD1 4.23Å; L195-I226 HydrophobicContact CD2-CG2 4.29Å; A220-I226 HydrophobicContact CB-CG1 4.35Å; A220-I226 HydrophobicContact CB-CG2 3.95Å; A220-I226 WeakPolarHBondContact O-CB 3.36Å; A220-I226 WeakPolarHBondContact O-CG1 3.26Å; T221-I226 HydrophobicContact CG2-CG2 4.3Å; D223-I226 HydrophobicContact CB-CG1 4.32Å; I226-T228 VanDerWaalsContact C-N 3.29Å; I226-T228 PolarHBondContact O-N 3.13Å; I226-A229 PolarHBondContact O-N 3.12Å; I226-A229 VanDerWaalsContact O-N 3.17Å; I226-L230 HydrophobicContact CG2-CD1 3.9Å; I226-L230 HydrophobicContact CG2-CG 4.26Å; I226-L230 WeakPolarHBondContact O-CG 3.06Å; I226-L230 PolarHBondContact O-N 3.01Å
227	K	93.6	Very high	93.5	Very high	34 Å²	34	40.9 Å²	40.9	15%	0.148	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-42.8	177.9	-70.6	-173.9	-70.9	-173	0	112.3	T221 D223 S224 L230 R231 N261 L262	T221-K227 WeakPolarHBondContact O-CD 3.47Å; T221-K227 VanDerWaalsContact O-CG 3.24Å; T221-K227 WeakPolarHBondContact O-CG 3.35Å; D223-K227 WeakPolarHBondContact O-CG 3.28Å; D223-K227 PolarHBondContact O-N 3.38Å; S224-K227 PolarHBondContact O-N 3.45Å; K227-L230 PolarHBondContact O-N 3.17Å; K227-R231 WeakPolarHBondContact O-CB 3.29Å; K227-R231 PolarHBondContact O-N 2.87Å; K227-N261 WeakPolarHBondContact CD-O 3.37Å; K227-L262 HydrophobicContact CB-CD2 4.27Å; K227-L262 HydrophobicContact CG-CD2 4.08Å
228	T	93.2	Very high	93.4	Very high	50 Å²	50	42.2 Å²	42.2	31%	0.307	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-47.3	176.6	-55.2	0	0	0	0	110.8	S224 I226 L230 R231 D232	S224-T228 WeakPolarHBondContact O-CB 3.4Å; S224-T228 PolarHBondContact O-N 2.7Å; S224-T228 PolarHBondContact O-OG1 3.4Å; I226-T228 VanDerWaalsContact C-N 3.29Å; I226-T228 PolarHBondContact O-N 3.13Å; T228-L230 PolarHBondContact O-N 3.35Å; T228-R231 WeakPolarHBondContact O-CB 3.44Å; T228-R231 PolarHBondContact O-N 3.22Å; T228-D232 PolarHBondContact O-N 3.33Å
229	A	94.2	Very high	93.4	Very high	8 Å²	8	41.5 Å²	41.5	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-45.9	178	0	0	0	0	0	112.2	K190 L195 I225 I226 R231 D232 M233	K190-A229 HydrophobicContact CD-CB 3.91Å; K190-A229 HydrophobicContact CG-CB 4.35Å; L195-A229 HydrophobicContact CD1-CB 3.69Å; I225-A229 PolarHBondContact O-N 3.1Å; I226-A229 PolarHBondContact O-N 3.12Å; I226-A229 VanDerWaalsContact O-N 3.17Å; A229-R231 VanDerWaalsContact C-N 3.31Å; A229-R231 PolarHBondContact O-N 3.45Å; A229-D232 PolarHBondContact O-N 3.35Å; A229-M233 WeakPolarHBondContact O-CG 3.31Å; A229-M233 PolarHBondContact O-N 2.95Å
230	L	95	Very high	93.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-34.9	178.6	-69.9	176.4	0	0	0	112.9	L195 I199 F217 T221 I226 K227 T228 M233 N234 A235 L262	L195-L230 HydrophobicContact CB-CD2 4.48Å; I199-L230 HydrophobicContact CD1-CD2 4.07Å; F217-L230 HydrophobicContact CD1-CD1 4.1Å; F217-L230 HydrophobicContact CD1-CD2 4.49Å; F217-L230 HydrophobicContact CE1-CD1 4.31Å; F217-L230 HydrophobicContact CE1-CD2 3.89Å; T221-L230 HydrophobicContact CG2-CD1 3.53Å; I226-L230 HydrophobicContact CG2-CD1 3.9Å; I226-L230 HydrophobicContact CG2-CG 4.26Å; I226-L230 WeakPolarHBondContact O-CG 3.06Å; I226-L230 PolarHBondContact O-N 3.01Å; K227-L230 PolarHBondContact O-N 3.17Å; T228-L230 PolarHBondContact O-N 3.35Å; L230-M233 PolarHBondContact O-N 3.3Å; L230-N234 PolarHBondContact O-N 2.86Å; L230-A235 HydrophobicContact CB-CB 4.11Å; L230-A235 HydrophobicContact CD2-CB 3.78Å; L230-A235 WeakPolarHBondContact O-CB 3.44Å; L230-A235 PolarHBondContact O-N 3.49Å; L230-L262 HydrophobicContact CB-CD2 4.17Å; L230-L262 HydrophobicContact CD1-CD2 4.15Å
231	R	93	Very high	93.1	Very high	81 Å²	81	43.1 Å²	43.1	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-47.8	171.8	-178.5	-170.1	64.4	-165.1	6	110.9	K227 T228 A229 M233 N234 D265	K227-R231 WeakPolarHBondContact O-CB 3.29Å; K227-R231 PolarHBondContact O-N 2.87Å; T228-R231 WeakPolarHBondContact O-CB 3.44Å; T228-R231 PolarHBondContact O-N 3.22Å; A229-R231 VanDerWaalsContact C-N 3.31Å; A229-R231 PolarHBondContact O-N 3.45Å; R231-M233 PolarHBondContact O-N 3.37Å; R231-N234 PolarHBondContact O-N 3.4Å; R231-D265 WeakPolarHBondContact CD-OD2 3.46Å; R231-D265 IonicContact CZ-OD2 2.68Å; R231-D265 IonicContact NE-OD2 2.76Å; R231-D265 IonicContact NH1-OD1 3.6Å; R231-D265 IonicContact NH1-OD2 3.6Å; R231-D265 PolarHBondContact NH1-OD2 3.37Å
232	D	92.6	Very high	92.9	Very high	107 Å²	107	43.7 Å²	43.7	57%	0.572	23%	0.234	S	C	*	.	H	α-helix	trans	-63.7	-26.4	-179.6	-59.4	-16.8	0	0	0	111.9	T228 A229	T228-D232 PolarHBondContact O-N 3.33Å; A229-D232 PolarHBondContact O-N 3.35Å
233	M	91.8	Very high	92.9	Very high	63 Å²	63	38.2 Å²	38.2	31%	0.31	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.4	173.9	-63.5	170.6	78	0	0	114.3	L195 E196 I199 A229 L230 R231 A235	L195-M233 HydrophobicContact CB-CE 4.4Å; L195-M233 HydrophobicContact CB-SD 4.09Å; E196-M233 HydrophobicContact CB-CE 4.13Å; E196-M233 HydrophobicContact CG-CE 3.47Å; E196-M233 VanDerWaalsContact CG-CE 3.47Å; E196-M233 WeakPolarHBondContact OE1-CE 3.38Å; I199-M233 HydrophobicContact CD1-CE 3.58Å; I199-M233 HydrophobicContact CD1-SD 4.27Å; A229-M233 WeakPolarHBondContact O-CG 3.31Å; A229-M233 PolarHBondContact O-N 2.95Å; L230-M233 PolarHBondContact O-N 3.3Å; R231-M233 PolarHBondContact O-N 3.37Å; M233-A235 HydrophobicContact CB-CB 4.41Å; M233-A235 PolarHBondContact O-N 2.98Å
234	N	91.5	Very high	92.6	Very high	102 Å²	102	37.2 Å²	37.2	55%	0.545	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	33.4	-170.3	-60.7	-43	0	0	0	113.6	L230 R231 L236	L230-N234 PolarHBondContact O-N 2.86Å; R231-N234 PolarHBondContact O-N 3.4Å; N234-L236 PolarHBondContact O-N 3.31Å
235	A	93.6	Very high	92.4	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.1	-173.2	0	0	0	0	0	113.9	I199 L230 M233 D237 A238 F239	I199-A235 HydrophobicContact CD1-CB 3.54Å; I199-A235 HydrophobicContact CG1-CB 4.25Å; L230-A235 HydrophobicContact CB-CB 4.11Å; L230-A235 HydrophobicContact CD2-CB 3.78Å; L230-A235 WeakPolarHBondContact O-CB 3.44Å; L230-A235 PolarHBondContact O-N 3.49Å; M233-A235 HydrophobicContact CB-CB 4.41Å; M233-A235 PolarHBondContact O-N 2.98Å; A235-D237 PolarHBondContact O-N 2.95Å; A235-A238 WeakPolarHBondContact O-CB 3.28Å; A235-A238 PolarHBondContact O-N 2.99Å; A235-F239 HydrophobicContact CB-CE2 4.28Å; A235-F239 WeakPolarHBondContact O-CD2 3.29Å; A235-F239 WeakPolarHBondContact O-CE2 3.19Å
236	L	93.6	Very high	92	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-38.6	-179.9	-178.3	59.4	0	0	0	112	N234 A238 F239 V240 I259 L262 L263 C268 L272	N234-L236 PolarHBondContact O-N 3.31Å; L236-A238 VanDerWaalsContact C-N 3.27Å; L236-A238 PolarHBondContact O-N 3.27Å; L236-F239 PolarHBondContact O-N 2.93Å; L236-V240 HydrophobicContact CD1-CG2 4.3Å; L236-V240 HydrophobicContact CG-CG2 4.21Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.32Å; L236-I259 HydrophobicContact CD1-CG1 4.32Å; L236-I259 HydrophobicContact CD1-CG2 4.46Å; L236-L262 HydrophobicContact CD1-CB 4.39Å; L236-L262 HydrophobicContact CD1-CD1 3.9Å; L236-L263 HydrophobicContact CD2-CD2 4.38Å; L236-C268 HydrophobicContact CD2-CB 4.02Å; L236-C268 VanDerWaalsContact CD2-O 3.27Å; L236-C268 WeakPolarHBondContact CD2-O 3.28Å; L236-L272 HydrophobicContact CD2-CB 4.02Å; L236-L272 HydrophobicContact CD2-CD1 4.31Å
237	D	92.8	Very high	91.5	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.214	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-35.6	-178.5	-65.8	-31.9	0	0	0	111.7	A235 F239 V240 D241 H271	A235-D237 PolarHBondContact O-N 2.95Å; D237-F239 VanDerWaalsContact C-N 3.32Å; D237-F239 PolarHBondContact O-N 2.93Å; D237-V240 PolarHBondContact O-N 2.99Å; D237-D241 WeakPolarHBondContact O-CB 3.34Å; D237-D241 VanDerWaalsContact O-CG 3.26Å; D237-D241 PolarHBondContact O-N 3.41Å; D237-H271 VanDerWaalsContact CG-NE2 3.29Å; D237-H271 IonicContact OD1-CD2 3.1Å; D237-H271 IonicContact OD1-NE2 2.99Å; D237-H271 PolarHBondContact OD1-NE2 3.5Å; D237-H271 VanDerWaalsContact OD1-NE2 3.11Å; D237-H271 IonicContact OD2-CD2 3.23Å; D237-H271 IonicContact OD2-CE1 2.72Å; D237-H271 IonicContact OD2-NE2 2.93Å; D237-H271 PolarHBondContact OD2-NE2 3.09Å
238	A	93.8	Very high	91.1	Very high	29 Å²	29	37.7 Å²	37.7	24%	0.24	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-39.1	176.9	0	0	0	0	0	112.4	I199 L202 A235 L236 I242	I199-A238 HydrophobicContact CG2-CB 4.29Å; L202-A238 HydrophobicContact CD1-CB 3.88Å; A235-A238 WeakPolarHBondContact O-CB 3.28Å; A235-A238 PolarHBondContact O-N 2.99Å; L236-A238 VanDerWaalsContact C-N 3.27Å; L236-A238 PolarHBondContact O-N 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.19Å; A238-I242 PolarHBondContact O-N 2.89Å
239	F	95	Very high	90.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-75	-36.4	176.2	-54.6	-64.6	0	0	0	112	L202 L214 F217 A235 L236 D237 D241 I242 I243 V258 I259 L262	L202-F239 HydrophobicContact CD1-CD1 4.03Å; L202-F239 HydrophobicContact CD1-CE1 3.68Å; L202-F239 HydrophobicContact CD1-CZ 4.3Å; L202-F239 HydrophobicContact CD2-CE1 4.21Å; L214-F239 HydrophobicContact CD2-CD1 3.77Å; L214-F239 HydrophobicContact CD2-CE1 4.05Å; F217-F239 HydrophobicContact CB-CE1 4.23Å; F217-F239 HydrophobicContact CB-CZ 4.28Å; F217-F239 HydrophobicContact CD1-CZ 4.05Å; F217-F239 AromaticContact CD2-CE1 3.55Å; F217-F239 HydrophobicContact CD2-CE1 3.55Å; F217-F239 AromaticContact CD2-CZ 3.72Å; F217-F239 HydrophobicContact CD2-CZ 3.72Å; F217-F239 HydrophobicContact CE1-CZ 4.31Å; F217-F239 AromaticContact CE2-CE1 4Å; F217-F239 HydrophobicContact CE2-CE1 4Å; F217-F239 AromaticContact CE2-CZ 3.97Å; F217-F239 HydrophobicContact CE2-CZ 3.97Å; F217-F239 AromaticContact CG-CE1 3.91Å; F217-F239 HydrophobicContact CG-CE1 3.91Å; F217-F239 AromaticContact CG-CZ 3.76Å; F217-F239 HydrophobicContact CG-CZ 3.76Å; F217-F239 HydrophobicContact CZ-CZ 4.26Å; A235-F239 HydrophobicContact CB-CE2 4.28Å; A235-F239 WeakPolarHBondContact O-CD2 3.29Å; A235-F239 WeakPolarHBondContact O-CE2 3.19Å; L236-F239 PolarHBondContact O-N 2.93Å; D237-F239 VanDerWaalsContact C-N 3.32Å; D237-F239 PolarHBondContact O-N 2.93Å; F239-D241 VanDerWaalsContact C-N 3.32Å; F239-I242 PolarHBondContact O-N 3.38Å; F239-I243 PolarHBondContact O-N 3.09Å; F239-V258 HydrophobicContact CD1-CB 4.29Å; F239-V258 HydrophobicContact CD1-CG1 3.93Å; F239-V258 HydrophobicContact CD2-CG1 3.9Å; F239-V258 HydrophobicContact CE1-CB 4.47Å; F239-V258 HydrophobicContact CE1-CG1 3.8Å; F239-V258 HydrophobicContact CE2-CG1 3.78Å; F239-V258 HydrophobicContact CG-CB 4.47Å; F239-V258 HydrophobicContact CG-CG1 3.99Å; F239-V258 HydrophobicContact CZ-CG1 3.73Å; F239-I259 HydrophobicContact CB-CD1 4.17Å; F239-I259 HydrophobicContact CB-CG1 3.77Å; F239-L262 HydrophobicContact CD2-CD1 3.83Å; F239-L262 HydrophobicContact CE2-CD1 3.93Å
240	V	92.4	Very high	90.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-37.1	175.8	166.9	0	0	0	0	111.4	L236 D237 I242 I243 G244 I259 L272 K280	L236-V240 HydrophobicContact CD1-CG2 4.3Å; L236-V240 HydrophobicContact CG-CG2 4.21Å; L236-V240 WeakPolarHBondContact O-CG2 3.44Å; L236-V240 PolarHBondContact O-N 3.32Å; D237-V240 PolarHBondContact O-N 2.99Å; V240-I242 VanDerWaalsContact C-N 3.32Å; V240-I242 PolarHBondContact O-N 2.95Å; V240-I243 WeakPolarHBondContact O-CG1 3.35Å; V240-I243 PolarHBondContact O-N 3.44Å; V240-G244 PolarHBondContact O-N 3.48Å; V240-I259 HydrophobicContact CG2-CD1 4.34Å; V240-L272 HydrophobicContact CG2-CD1 4.09Å; V240-K280 HydrophobicContact CG1-CB 4.41Å; V240-K280 HydrophobicContact CG1-CD 3.54Å
241	D	91.8	Very high	90.2	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-33.4	179	-74.6	-21.4	0	0	0	111.9	D237 F239 G244 V245 K280	D237-D241 WeakPolarHBondContact O-CB 3.34Å; D237-D241 VanDerWaalsContact O-CG 3.26Å; D237-D241 PolarHBondContact O-N 3.41Å; F239-D241 VanDerWaalsContact C-N 3.32Å; D241-G244 WeakPolarHBondContact O-CA 3.06Å; D241-G244 PolarHBondContact O-N 3.48Å; D241-G244 VanDerWaalsContact O-N 3.13Å; D241-V245 WeakPolarHBondContact O-CG2 3.36Å; D241-V245 PolarHBondContact O-N 3.37Å; D241-K280 IonicContact OD1-NZ 3.55Å; D241-K280 PolarHBondContact OD1-NZ 3.16Å
242	I	91.8	Very high	90.2	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-48.6	172.9	-67	167.3	0	0	0	111.1	L202 L214 A238 F239 V240 G244 V245 F248 I251 H252 A255	L202-I242 HydrophobicContact CB-CD1 4.22Å; L202-I242 HydrophobicContact CD1-CD1 4.4Å; L202-I242 HydrophobicContact CD2-CD1 3.85Å; L202-I242 HydrophobicContact CG-CD1 4.39Å; L214-I242 HydrophobicContact CD1-CD1 4.33Å; L214-I242 HydrophobicContact CD2-CD1 3.96Å; A238-I242 WeakPolarHBondContact O-CG1 3.19Å; A238-I242 PolarHBondContact O-N 2.89Å; F239-I242 PolarHBondContact O-N 3.38Å; V240-I242 VanDerWaalsContact C-N 3.32Å; V240-I242 PolarHBondContact O-N 2.95Å; I242-G244 PolarHBondContact O-N 3.38Å; I242-V245 PolarHBondContact O-N 3.49Å; I242-F248 HydrophobicContact CG2-CB 4.4Å; I242-F248 HydrophobicContact CG2-CD2 4.27Å; I242-I251 HydrophobicContact CG2-CD1 3.62Å; I242-I251 HydrophobicContact CG2-CG1 3.84Å; I242-H252 PolarHBondContact O-CD2 2.93Å; I242-H252 PolarHBondContact O-NE2 3.24Å; I242-A255 HydrophobicContact CB-CB 4.37Å; I242-A255 HydrophobicContact CG2-CB 3.95Å
243	I	90.2	Very high	90.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-16.3	177.9	68.4	164.3	0	0	0	112.4	F239 V240 V245 A255 L256 I259 L281 F284	F239-I243 PolarHBondContact O-N 3.09Å; V240-I243 WeakPolarHBondContact O-CG1 3.35Å; V240-I243 PolarHBondContact O-N 3.44Å; I243-V245 VanDerWaalsContact C-N 3.27Å; I243-A255 HydrophobicContact CG2-CB 3.74Å; I243-L256 HydrophobicContact CD1-CD2 4.21Å; I243-L256 HydrophobicContact CG2-CD2 4.19Å; I243-L256 HydrophobicContact CG2-CG 4.13Å; I243-I259 HydrophobicContact CD1-CD1 3.69Å; I243-I259 HydrophobicContact CG1-CD1 4.18Å; I243-I259 HydrophobicContact CG2-CD1 4.09Å; I243-L281 HydrophobicContact CD1-CB 4.46Å; I243-L281 HydrophobicContact CD1-CD1 4.33Å; I243-F284 HydrophobicContact CB-CE2 3.79Å; I243-F284 HydrophobicContact CB-CZ 3.98Å; I243-F284 HydrophobicContact CD1-CE2 4.24Å; I243-F284 HydrophobicContact CG1-CE2 4.42Å
244	G	86.6	Confident	90.2	Very high	10 Å²	10	35.5 Å²	35.5	10%	0.103	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.2	173.7	0	0	0	0	0	114.5	V240 D241 I242 Y291	V240-G244 PolarHBondContact O-N 3.48Å; D241-G244 WeakPolarHBondContact O-CA 3.06Å; D241-G244 PolarHBondContact O-N 3.48Å; D241-G244 VanDerWaalsContact O-N 3.13Å; I242-G244 PolarHBondContact O-N 3.38Å; G244-Y291 VanDerWaalsContact C-CE1 3.46Å; G244-Y291 WeakPolarHBondContact O-CD1 3.49Å; G244-Y291 WeakPolarHBondContact O-CE1 3.41Å
245	V	87.3	Confident	90.4	Very high	17 Å²	17	30.7 Å²	30.7	10%	0.103	17%	0.172	C	C	.	.			trans	-115.5	110.5	-178.4	177.7	0	0	0	0	109.5	D241 I242 I243 E247 F248 H252 N299	D241-V245 WeakPolarHBondContact O-CG2 3.36Å; D241-V245 PolarHBondContact O-N 3.37Å; I242-V245 PolarHBondContact O-N 3.49Å; I243-V245 VanDerWaalsContact C-N 3.27Å; V245-E247 HydrophobicContact CG1-CB 4.16Å; V245-E247 WeakPolarHBondContact CG1-OE2 3.47Å; V245-E247 PolarHBondContact O-N 2.88Å; V245-F248 HydrophobicContact CB-CB 4.48Å; V245-F248 HydrophobicContact CB-CD2 3.56Å; V245-F248 HydrophobicContact CB-CE2 3.92Å; V245-F248 HydrophobicContact CB-CG 4.05Å; V245-F248 HydrophobicContact CG1-CD1 4.15Å; V245-F248 HydrophobicContact CG1-CD2 3.69Å; V245-F248 HydrophobicContact CG1-CE1 4.27Å; V245-F248 HydrophobicContact CG1-CE2 3.83Å; V245-F248 HydrophobicContact CG1-CG 3.85Å; V245-F248 HydrophobicContact CG1-CZ 4.12Å; V245-F248 HydrophobicContact CG2-CD2 4.15Å; V245-F248 HydrophobicContact CG2-CE2 4.09Å; V245-F248 PolarHBondContact O-N 3.11Å; V245-F248 VanDerWaalsContact O-N 3.13Å; V245-H252 PolarHBondContact O-CE1 3.2Å; V245-H252 VanDerWaalsContact O-CE1 3.29Å; V245-H252 PolarHBondContact O-NE2 3.47Å; V245-N299 WeakPolarHBondContact CG2-ND2 3.49Å
246	P	83.3	Confident	90.4	Very high	48 Å²	48	30.5 Å²	30.5	31%	0.312	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-57.2	-31.6	-178.4	-24.7	32.4	0	0	0	114.4	F248 N249 Y291	P246-F248 PolarHBondContact O-N 3Å; P246-N249 PolarHBondContact O-N 3.22Å; P246-Y291 HydrophobicContact CG-CD1 4.03Å; P246-Y291 HydrophobicContact CG-CD2 3.67Å; P246-Y291 HydrophobicContact CG-CE1 3.95Å; P246-Y291 HydrophobicContact CG-CE2 3.59Å; P246-Y291 HydrophobicContact CG-CG 3.89Å
247	E	84.4	Confident	90.5	Very high	86 Å²	86	32.6 Å²	32.6	40%	0.402	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-68.8	-14.5	-178.2	-62.7	77.6	-171.1	0	0	113.2	V245 N249	V245-E247 HydrophobicContact CG1-CB 4.16Å; V245-E247 WeakPolarHBondContact CG1-OE2 3.47Å; V245-E247 PolarHBondContact O-N 2.88Å; E247-N249 VanDerWaalsContact C-N 3.34Å
248	F	86	Confident	90.6	Very high	39 Å²	39	30.7 Å²	30.7	17%	0.171	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-96.6	25.6	179.9	-63.8	-17	0	0	0	113	I242 V245 P246 D250 I251 H252	I242-F248 HydrophobicContact CG2-CB 4.4Å; I242-F248 HydrophobicContact CG2-CD2 4.27Å; V245-F248 HydrophobicContact CB-CB 4.48Å; V245-F248 HydrophobicContact CB-CD2 3.56Å; V245-F248 HydrophobicContact CB-CE2 3.92Å; V245-F248 HydrophobicContact CB-CG 4.05Å; V245-F248 HydrophobicContact CG1-CD1 4.15Å; V245-F248 HydrophobicContact CG1-CD2 3.69Å; V245-F248 HydrophobicContact CG1-CE1 4.27Å; V245-F248 HydrophobicContact CG1-CE2 3.83Å; V245-F248 HydrophobicContact CG1-CG 3.85Å; V245-F248 HydrophobicContact CG1-CZ 4.12Å; V245-F248 HydrophobicContact CG2-CD2 4.15Å; V245-F248 HydrophobicContact CG2-CE2 4.09Å; V245-F248 PolarHBondContact O-N 3.11Å; V245-F248 VanDerWaalsContact O-N 3.13Å; P246-F248 PolarHBondContact O-N 3Å; F248-D250 VanDerWaalsContact C-OD1 3.32Å; F248-D250 PolarHBondContact O-N 3.16Å; F248-D250 VanDerWaalsContact O-N 3.09Å; F248-I251 HydrophobicContact CB-CD1 4.02Å; F248-I251 HydrophobicContact CB-CG1 3.77Å; F248-I251 HydrophobicContact CD2-CD1 4.46Å; F248-I251 HydrophobicContact CG-CD1 4.22Å; F248-I251 HydrophobicContact CG-CG1 4.49Å; F248-I251 VanDerWaalsContact O-CG1 3.24Å; F248-I251 WeakPolarHBondContact O-CG1 3.48Å; F248-I251 PolarHBondContact O-N 2.93Å; F248-H252 PolarHBondContact O-CD2 3.08Å; F248-H252 PolarHBondContact O-N 3.49Å; F248-H252 VanDerWaalsContact O-N 3.14Å; F248-H252 PolarHBondContact O-NE2 3.01Å
249	N	85.6	Confident	90.7	Very high	98 Å²	98	29.3 Å²	29.3	52%	0.524	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.5	-175.1	67.3	-9.6	0	0	0	114.3	P246 E247 I251	P246-N249 PolarHBondContact O-N 3.22Å; E247-N249 VanDerWaalsContact C-N 3.34Å; N249-I251 VanDerWaalsContact C-N 3.33Å
250	D	86.3	Confident	90.7	Very high	97 Å²	97	29.3 Å²	29.3	52%	0.519	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.7	177.7	59.3	-29.3	0	0	0	113.1	F248	F248-D250 VanDerWaalsContact C-OD1 3.32Å; F248-D250 PolarHBondContact O-N 3.16Å; F248-D250 VanDerWaalsContact O-N 3.09Å
251	I	91.4	Very high	90.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-5.4	-178.4	63.6	170	0	0	0	114	Q210 D211 L214 I242 F248 N249 V253 S254 A255	Q210-I251 HydrophobicContact CB-CD1 4.12Å; D211-I251 HydrophobicContact CB-CG2 3.76Å; L214-I251 HydrophobicContact CD1-CB 3.79Å; L214-I251 HydrophobicContact CD1-CD1 4.08Å; L214-I251 HydrophobicContact CD1-CG1 4.27Å; I242-I251 HydrophobicContact CG2-CD1 3.62Å; I242-I251 HydrophobicContact CG2-CG1 3.84Å; F248-I251 HydrophobicContact CB-CD1 4.02Å; F248-I251 HydrophobicContact CB-CG1 3.77Å; F248-I251 HydrophobicContact CD2-CD1 4.46Å; F248-I251 HydrophobicContact CG-CD1 4.22Å; F248-I251 HydrophobicContact CG-CG1 4.49Å; F248-I251 VanDerWaalsContact O-CG1 3.24Å; F248-I251 WeakPolarHBondContact O-CG1 3.48Å; F248-I251 PolarHBondContact O-N 2.93Å; N249-I251 VanDerWaalsContact C-N 3.33Å; I251-V253 VanDerWaalsContact C-N 3.26Å; I251-V253 PolarHBondContact O-N 3.36Å; I251-S254 PolarHBondContact O-N 3.13Å; I251-S254 VanDerWaalsContact O-N 3.17Å; I251-A255 PolarHBondContact O-N 3.06Å
252	H	91.7	Very high	90.9	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.051	14%	0.138	C	C	.	.	H	α-helix	trans	-54.9	-41	177.9	-74.9	177	0	0	0	112.6	I242 V245 F248 S254 A255 L256 F284	I242-H252 PolarHBondContact O-CD2 2.93Å; I242-H252 PolarHBondContact O-NE2 3.24Å; V245-H252 PolarHBondContact O-CE1 3.2Å; V245-H252 VanDerWaalsContact O-CE1 3.29Å; V245-H252 PolarHBondContact O-NE2 3.47Å; F248-H252 PolarHBondContact O-CD2 3.08Å; F248-H252 PolarHBondContact O-N 3.49Å; F248-H252 VanDerWaalsContact O-N 3.14Å; F248-H252 PolarHBondContact O-NE2 3.01Å; H252-S254 PolarHBondContact O-N 2.86Å; H252-A255 PolarHBondContact O-N 3.31Å; H252-L256 WeakPolarHBondContact O-CB 3.42Å; H252-L256 VanDerWaalsContact O-CG 3.24Å; H252-L256 WeakPolarHBondContact O-CG 3.35Å; H252-L256 PolarHBondContact O-N 3.08Å; H252-F284 HydrophobicContact CB-CE1 4.11Å; H252-F284 HydrophobicContact CB-CZ 4.21Å; H252-F284 AromaticContact CE1-CZ 3.93Å; H252-F284 AromaticContact CG-CZ 3.85Å; H252-F284 AromaticContact ND1-CE1 3.42Å; H252-F284 WeakPolarHBondContact ND1-CE1 3.43Å; H252-F284 AromaticContact ND1-CZ 3.39Å; H252-F284 WeakPolarHBondContact ND1-CZ 3.34Å
253	V	92.1	Very high	91	Very high	38 Å²	38	25.1 Å²	25.1	23%	0.23	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-48.2	178.6	170.5	0	0	0	0	111.1	I251 A255 L256 Q257 E347 A348	I251-V253 VanDerWaalsContact C-N 3.26Å; I251-V253 PolarHBondContact O-N 3.36Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 2.96Å; V253-L256 PolarHBondContact O-N 3.01Å; V253-Q257 PolarHBondContact O-N 2.81Å; V253-E347 HydrophobicContact CG2-CB 4.05Å; V253-A348 HydrophobicContact CG2-CB 4.44Å
254	S	92.9	Very high	90.9	Very high	19 Å²	19	28.2 Å²	28.2	13%	0.133	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-41.6	177.1	-59.6	0	0	0	0	111	D211 I251 H252 Q257 V258	D211-S254 PolarHBondContact OD1-OG 3.28Å; I251-S254 PolarHBondContact O-N 3.13Å; I251-S254 VanDerWaalsContact O-N 3.17Å; H252-S254 PolarHBondContact O-N 2.86Å; S254-Q257 PolarHBondContact O-N 3.49Å; S254-V258 WeakPolarHBondContact O-CG2 3.48Å; S254-V258 PolarHBondContact O-N 3.13Å
255	A	95.2	Very high	90.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-45	176.9	0	0	0	0	0	113.3	L214 I242 I243 I251 H252 V253 Q257 V258 I259	L214-A255 HydrophobicContact CD1-CB 4.14Å; L214-A255 HydrophobicContact CD2-CB 4.08Å; I242-A255 HydrophobicContact CB-CB 4.37Å; I242-A255 HydrophobicContact CG2-CB 3.95Å; I243-A255 HydrophobicContact CG2-CB 3.74Å; I251-A255 PolarHBondContact O-N 3.06Å; H252-A255 PolarHBondContact O-N 3.31Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 2.96Å; A255-Q257 PolarHBondContact O-N 2.84Å; A255-V258 WeakPolarHBondContact O-CB 3.45Å; A255-V258 PolarHBondContact O-N 2.92Å; A255-V258 VanDerWaalsContact O-N 3.1Å; A255-I259 WeakPolarHBondContact O-CG1 3.36Å; A255-I259 PolarHBondContact O-N 3.23Å
256	L	94.7	Very high	90.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-34.9	176.9	-72.8	168.6	0	0	0	111.8	I243 H252 V253 I259 A260 L281 F284 A348 H351	I243-L256 HydrophobicContact CD1-CD2 4.21Å; I243-L256 HydrophobicContact CG2-CD2 4.19Å; I243-L256 HydrophobicContact CG2-CG 4.13Å; H252-L256 WeakPolarHBondContact O-CB 3.42Å; H252-L256 VanDerWaalsContact O-CG 3.24Å; H252-L256 WeakPolarHBondContact O-CG 3.35Å; H252-L256 PolarHBondContact O-N 3.08Å; V253-L256 PolarHBondContact O-N 3.01Å; L256-I259 PolarHBondContact O-N 2.71Å; L256-A260 WeakPolarHBondContact O-CB 3.4Å; L256-A260 PolarHBondContact O-N 2.88Å; L256-L281 HydrophobicContact CD2-CD1 3.49Å; L256-L281 VanDerWaalsContact CD2-CD1 3.49Å; L256-F284 HydrophobicContact CD1-CD1 4.25Å; L256-F284 HydrophobicContact CD1-CE1 4.35Å; L256-F284 HydrophobicContact CD1-CG 4.35Å; L256-F284 HydrophobicContact CD2-CD2 4.41Å; L256-A348 HydrophobicContact CD1-CB 4.03Å; L256-A348 WeakPolarHBondContact CD1-O 3.4Å; L256-H351 HydrophobicContact CB-CB 3.76Å; L256-H351 HydrophobicContact CD1-CB 4.28Å
257	Q	94.7	Very high	91.3	Very high	51 Å²	51	32 Å²	32	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-39	175	-174.8	56.7	64.4	0	0	112.6	A218 V253 S254 A255 N261 H351	A218-Q257 HydrophobicContact CB-CB 4.41Å; A218-Q257 HydrophobicContact CB-CG 3.94Å; V253-Q257 PolarHBondContact O-N 2.81Å; S254-Q257 PolarHBondContact O-N 3.49Å; A255-Q257 PolarHBondContact O-N 2.84Å; Q257-N261 PolarHBondContact NE2-OD1 3.32Å; Q257-N261 PolarHBondContact O-N 3.17Å; Q257-H351 PolarHBondContact OE1-CE1 3.12Å; Q257-H351 PolarHBondContact OE1-ND1 3.41Å
258	V	96.2	Very high	91.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-49.1	174.2	-178	0	0	0	0	110.3	L214 F217 A218 T221 F239 S254 A255 A260 N261 L262	L214-V258 HydrophobicContact CD2-CG2 4.46Å; L214-V258 WeakPolarHBondContact O-CG2 3.48Å; F217-V258 HydrophobicContact CB-CG1 3.98Å; F217-V258 HydrophobicContact CB-CG2 3.66Å; A218-V258 HydrophobicContact CB-CG2 4.04Å; T221-V258 HydrophobicContact CG2-CG1 4.1Å; F239-V258 HydrophobicContact CD1-CB 4.29Å; F239-V258 HydrophobicContact CD1-CG1 3.93Å; F239-V258 HydrophobicContact CD2-CG1 3.9Å; F239-V258 HydrophobicContact CE1-CB 4.47Å; F239-V258 HydrophobicContact CE1-CG1 3.8Å; F239-V258 HydrophobicContact CE2-CG1 3.78Å; F239-V258 HydrophobicContact CG-CB 4.47Å; F239-V258 HydrophobicContact CG-CG1 3.99Å; F239-V258 HydrophobicContact CZ-CG1 3.73Å; S254-V258 WeakPolarHBondContact O-CG2 3.48Å; S254-V258 PolarHBondContact O-N 3.13Å; A255-V258 WeakPolarHBondContact O-CB 3.45Å; A255-V258 PolarHBondContact O-N 2.92Å; A255-V258 VanDerWaalsContact O-N 3.1Å; V258-A260 VanDerWaalsContact C-N 3.29Å; V258-A260 PolarHBondContact O-N 2.92Å; V258-N261 PolarHBondContact O-N 3.24Å; V258-N261 VanDerWaalsContact O-N 3.15Å; V258-L262 HydrophobicContact CG1-CD1 4.15Å; V258-L262 WeakPolarHBondContact O-CG 3.21Å; V258-L262 PolarHBondContact O-N 3.33Å; V258-L262 VanDerWaalsContact O-N 3.12Å
259	I	95.7	Very high	91.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.2	-48.1	177.7	-67.6	168.4	0	0	0	109.7	L236 F239 V240 I243 A255 L256 N261 L262 L263 L281	L236-I259 HydrophobicContact CD1-CG1 4.32Å; L236-I259 HydrophobicContact CD1-CG2 4.46Å; F239-I259 HydrophobicContact CB-CD1 4.17Å; F239-I259 HydrophobicContact CB-CG1 3.77Å; V240-I259 HydrophobicContact CG2-CD1 4.34Å; I243-I259 HydrophobicContact CD1-CD1 3.69Å; I243-I259 HydrophobicContact CG1-CD1 4.18Å; I243-I259 HydrophobicContact CG2-CD1 4.09Å; A255-I259 WeakPolarHBondContact O-CG1 3.36Å; A255-I259 PolarHBondContact O-N 3.23Å; L256-I259 PolarHBondContact O-N 2.71Å; I259-N261 VanDerWaalsContact C-N 3.31Å; I259-N261 PolarHBondContact O-N 3.38Å; I259-L262 WeakPolarHBondContact O-CB 3.47Å; I259-L262 PolarHBondContact O-N 3.1Å; I259-L263 HydrophobicContact CG2-CD1 3.88Å; I259-L263 HydrophobicContact CG2-CG 3.96Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.35Å; I259-L281 HydrophobicContact CG2-CD1 4.39Å
260	A	94.7	Very high	92.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-53.7	-48.8	178.8	0	0	0	0	0	111.8	L256 V258 L262 L263 A355 R358	L256-A260 WeakPolarHBondContact O-CB 3.4Å; L256-A260 PolarHBondContact O-N 2.88Å; V258-A260 VanDerWaalsContact C-N 3.29Å; V258-A260 PolarHBondContact O-N 2.92Å; A260-L262 VanDerWaalsContact C-N 3.28Å; A260-L262 PolarHBondContact O-N 3.1Å; A260-L263 PolarHBondContact O-N 2.97Å; A260-A355 HydrophobicContact CB-CB 3.76Å; A260-R358 WeakPolarHBondContact O-CD 3.38Å
261	N	94.4	Very high	92.3	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-37.1	179.2	-69.1	-17.4	0	0	0	112.6	A218 T221 K227 Q257 V258 I259	A218-N261 PolarHBondContact O-ND2 3.06Å; T221-N261 WeakPolarHBondContact OG1-CB 3.5Å; T221-N261 PolarHBondContact OG1-ND2 2.91Å; K227-N261 WeakPolarHBondContact CD-O 3.37Å; Q257-N261 PolarHBondContact NE2-OD1 3.32Å; Q257-N261 PolarHBondContact O-N 3.17Å; V258-N261 PolarHBondContact O-N 3.24Å; V258-N261 VanDerWaalsContact O-N 3.15Å; I259-N261 VanDerWaalsContact C-N 3.31Å; I259-N261 PolarHBondContact O-N 3.38Å
262	L	94.7	Very high	92.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-71.3	-35.6	177.7	-66.9	173.2	0	0	0	112.9	T221 K227 L230 L236 F239 V258 I259 A260 N264 D265 C268	T221-L262 HydrophobicContact CG2-CD2 4.11Å; T221-L262 HydrophobicContact CG2-CG 4.38Å; K227-L262 HydrophobicContact CB-CD2 4.27Å; K227-L262 HydrophobicContact CG-CD2 4.08Å; L230-L262 HydrophobicContact CB-CD2 4.17Å; L230-L262 HydrophobicContact CD1-CD2 4.15Å; L236-L262 HydrophobicContact CD1-CB 4.39Å; L236-L262 HydrophobicContact CD1-CD1 3.9Å; F239-L262 HydrophobicContact CD2-CD1 3.83Å; F239-L262 HydrophobicContact CE2-CD1 3.93Å; V258-L262 HydrophobicContact CG1-CD1 4.15Å; V258-L262 WeakPolarHBondContact O-CG 3.21Å; V258-L262 PolarHBondContact O-N 3.33Å; V258-L262 VanDerWaalsContact O-N 3.12Å; I259-L262 WeakPolarHBondContact O-CB 3.47Å; I259-L262 PolarHBondContact O-N 3.1Å; A260-L262 VanDerWaalsContact C-N 3.28Å; A260-L262 PolarHBondContact O-N 3.1Å; L262-N264 PolarHBondContact O-N 3.29Å; L262-N264 VanDerWaalsContact O-N 3.12Å; L262-D265 WeakPolarHBondContact O-CB 3.49Å; L262-D265 PolarHBondContact O-N 3.5Å; L262-C268 WeakPolarHBondContact O-CB 3.5Å
263	L	93.6	Very high	92.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.5	-178.7	-63.6	-170.9	0	0	0	114.7	L236 I259 A260 D265 C268 V269 L272 L281 A355 A359	L236-L263 HydrophobicContact CD2-CD2 4.38Å; I259-L263 HydrophobicContact CG2-CD1 3.88Å; I259-L263 HydrophobicContact CG2-CG 3.96Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.35Å; A260-L263 PolarHBondContact O-N 2.97Å; L263-D265 PolarHBondContact O-N 3.41Å; L263-C268 HydrophobicContact CD2-CB 4.3Å; L263-V269 HydrophobicContact CB-CG2 4.08Å; L263-V269 HydrophobicContact CD2-CG2 3.96Å; L263-V269 WeakPolarHBondContact O-CG2 3.5Å; L263-L272 HydrophobicContact CD2-CD1 4.15Å; L263-L281 HydrophobicContact CD1-CD2 3.77Å; L263-A355 HydrophobicContact CD1-CB 4.08Å; L263-A359 HydrophobicContact CB-CB 4.21Å; L263-A359 HydrophobicContact CD1-CB 4.49Å; L263-A359 WeakPolarHBondContact O-CA 3.33Å
264	N	87	Confident	91.8	Very high	65 Å²	65	27 Å²	27	35%	0.348	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.9	164.7	-169.2	86.6	0	0	0	112.4	L262 R358	L262-N264 PolarHBondContact O-N 3.29Å; L262-N264 VanDerWaalsContact O-N 3.12Å; N264-R358 HydrophobicContact CB-CB 4.42Å
265	D	87.9	Confident	91.5	Very high	33 Å²	33	31.4 Å²	31.4	18%	0.176	17%	0.165	C	C	.	.	S	Bend	trans	-93.9	124	171.9	-169	-24.1	0	0	0	110.4	R231 L262 L263 E267 C268 V269	R231-D265 WeakPolarHBondContact CD-OD2 3.46Å; R231-D265 IonicContact CZ-OD2 2.68Å; R231-D265 IonicContact NE-OD2 2.76Å; R231-D265 IonicContact NH1-OD1 3.6Å; R231-D265 IonicContact NH1-OD2 3.6Å; R231-D265 PolarHBondContact NH1-OD2 3.37Å; L262-D265 WeakPolarHBondContact O-CB 3.49Å; L262-D265 PolarHBondContact O-N 3.5Å; L263-D265 PolarHBondContact O-N 3.41Å; D265-E267 PolarHBondContact O-N 2.9Å; D265-E267 PolarHBondContact OD1-N 3.39Å; D265-C268 HydrophobicContact CB-CB 4.27Å; D265-C268 WeakPolarHBondContact O-CB 3.31Å; D265-C268 PolarHBondContact O-N 2.87Å; D265-V269 PolarHBondContact O-N 3.4Å
266	T	87.3	Confident	90.9	Very high	26 Å²	26	33.8 Å²	33.8	16%	0.16	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-34.6	-179.5	-58.4	0	0	0	0	112.6	V269 K270 E364 T365	T266-V269 PolarHBondContact O-N 3.49Å; T266-K270 HydrophobicContact CG2-CD 4.33Å; T266-K270 WeakPolarHBondContact O-CG 3.49Å; T266-K270 PolarHBondContact O-N 3.43Å; T266-E364 HydrophobicContact CG2-CB 4.46Å; T266-T365 HydrophobicContact CG2-CG2 3.97Å
267	E	90.9	Very high	90.6	Very high	95 Å²	95	34.2 Å²	34.2	44%	0.444	19%	0.192	S	C	.	.	H	α-helix	trans	-71.5	-34.4	-179	-64.6	-55	121	0	0	111.8	D265 V269 K270 H271	D265-E267 PolarHBondContact O-N 2.9Å; D265-E267 PolarHBondContact OD1-N 3.39Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.09Å; E267-K270 PolarHBondContact O-N 2.92Å; E267-K270 WeakPolarHBondContact OE1-CD 3.37Å; E267-K270 IonicContact OE1-NZ 3.55Å; E267-K270 PolarHBondContact OE1-NZ 2.95Å; E267-H271 WeakPolarHBondContact O-CB 3.46Å; E267-H271 PolarHBondContact O-N 3.36Å
268	C	92.3	Very high	90.3	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-39.7	171.7	-69.8	0	0	0	0	111.7	L236 L262 L263 D265 H271 L272	L236-C268 HydrophobicContact CD2-CB 4.02Å; L236-C268 VanDerWaalsContact CD2-O 3.27Å; L236-C268 WeakPolarHBondContact CD2-O 3.28Å; L262-C268 WeakPolarHBondContact O-CB 3.5Å; L263-C268 HydrophobicContact CD2-CB 4.3Å; D265-C268 HydrophobicContact CB-CB 4.27Å; D265-C268 WeakPolarHBondContact O-CB 3.31Å; D265-C268 PolarHBondContact O-N 2.87Å; C268-H271 PolarHBondContact O-N 2.87Å; C268-L272 WeakPolarHBondContact O-CB 3.27Å; C268-L272 PolarHBondContact O-N 3.35Å
269	V	90.6	Very high	89.9	Confident	2 Å²	2	37 Å²	37	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-45.4	176.2	-178.7	0	0	0	0	110.7	L263 D265 T266 E267 H271 L272 V273 A359 T365 I368	L263-V269 HydrophobicContact CB-CG2 4.08Å; L263-V269 HydrophobicContact CD2-CG2 3.96Å; L263-V269 WeakPolarHBondContact O-CG2 3.5Å; D265-V269 PolarHBondContact O-N 3.4Å; T266-V269 PolarHBondContact O-N 3.49Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 3.09Å; V269-H271 VanDerWaalsContact C-N 3.34Å; V269-H271 PolarHBondContact O-N 3.48Å; V269-L272 PolarHBondContact O-N 3.15Å; V269-V273 VanDerWaalsContact O-CG2 3.25Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 2.78Å; V269-V273 VanDerWaalsContact O-N 3.11Å; V269-A359 HydrophobicContact CG2-CB 3.87Å; V269-T365 HydrophobicContact CB-CG2 3.8Å; V269-T365 HydrophobicContact CG1-CG2 3.78Å; V269-T365 HydrophobicContact CG2-CG2 3.94Å; V269-I368 HydrophobicContact CG1-CD1 4.36Å; V269-I368 HydrophobicContact CG1-CG2 4.41Å
270	K	90.3	Very high	89.5	Confident	74 Å²	74	39.7 Å²	39.7	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-42.4	175.8	-72.3	172.4	-176.3	162.1	0	111.8	T266 E267 V273 S274 E364 I368	T266-K270 HydrophobicContact CG2-CD 4.33Å; T266-K270 WeakPolarHBondContact O-CG 3.49Å; T266-K270 PolarHBondContact O-N 3.43Å; E267-K270 PolarHBondContact O-N 2.92Å; E267-K270 WeakPolarHBondContact OE1-CD 3.37Å; E267-K270 IonicContact OE1-NZ 3.55Å; E267-K270 PolarHBondContact OE1-NZ 2.95Å; K270-V273 PolarHBondContact O-N 3.47Å; K270-S274 WeakPolarHBondContact O-CB 3.41Å; K270-S274 PolarHBondContact O-N 3.35Å; K270-E364 WeakPolarHBondContact CE-OE2 3.35Å; K270-E364 IonicContact NZ-OE2 2.67Å; K270-E364 PolarHBondContact NZ-OE2 3.37Å; K270-I368 HydrophobicContact CG-CD1 4.13Å
271	H	90.7	Very high	89.3	Confident	39 Å²	39	39.7 Å²	39.7	18%	0.181	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-49.7	176	-175.1	68.7	0	0	0	111.4	D237 E267 C268 V269 V273 S274 Q275	D237-H271 VanDerWaalsContact CG-NE2 3.29Å; D237-H271 IonicContact OD1-CD2 3.1Å; D237-H271 IonicContact OD1-NE2 2.99Å; D237-H271 PolarHBondContact OD1-NE2 3.5Å; D237-H271 VanDerWaalsContact OD1-NE2 3.11Å; D237-H271 IonicContact OD2-CD2 3.23Å; D237-H271 IonicContact OD2-CE1 2.72Å; D237-H271 IonicContact OD2-NE2 2.93Å; D237-H271 PolarHBondContact OD2-NE2 3.09Å; E267-H271 WeakPolarHBondContact O-CB 3.46Å; E267-H271 PolarHBondContact O-N 3.36Å; C268-H271 PolarHBondContact O-N 2.87Å; V269-H271 VanDerWaalsContact C-N 3.34Å; V269-H271 PolarHBondContact O-N 3.48Å; H271-V273 PolarHBondContact O-N 3.32Å; H271-S274 WeakPolarHBondContact CA-OG 3.35Å; H271-S274 PolarHBondContact O-N 3.24Å; H271-S274 PolarHBondContact O-OG 3.06Å; H271-Q275 WeakPolarHBondContact O-CG 3.43Å; H271-Q275 PolarHBondContact O-N 3.3Å
272	L	89.6	Confident	89.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-30.3	179.4	-179.1	140.7	0	0	0	113	L236 V240 L263 C268 V269 S277 L278	L236-L272 HydrophobicContact CD2-CB 4.02Å; L236-L272 HydrophobicContact CD2-CD1 4.31Å; V240-L272 HydrophobicContact CG2-CD1 4.09Å; L263-L272 HydrophobicContact CD2-CD1 4.15Å; C268-L272 WeakPolarHBondContact O-CB 3.27Å; C268-L272 PolarHBondContact O-N 3.35Å; V269-L272 PolarHBondContact O-N 3.15Å; L272-S277 WeakPolarHBondContact O-CA 3.42Å; L272-S277 WeakPolarHBondContact O-CB 3.42Å; L272-S277 PolarHBondContact O-N 3.04Å; L272-L278 HydrophobicContact CD2-CB 3.56Å; L272-L278 HydrophobicContact CD2-CD1 3.4Å; L272-L278 VanDerWaalsContact CD2-CD1 3.4Å; L272-L278 HydrophobicContact CD2-CG 4.03Å; L272-L278 PolarHBondContact O-N 3.48Å; L272-L278 VanDerWaalsContact O-N 3.09Å
273	V	87.8	Confident	88.8	Confident	61 Å²	61	40.3 Å²	40.3	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-74.7	-47.2	171.7	178	0	0	0	0	111.2	V269 K270 H271 Q275 G276 L278 I368	V269-V273 VanDerWaalsContact O-CG2 3.25Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 2.78Å; V269-V273 VanDerWaalsContact O-N 3.11Å; K270-V273 PolarHBondContact O-N 3.47Å; H271-V273 PolarHBondContact O-N 3.32Å; V273-Q275 PolarHBondContact O-N 3.47Å; V273-G276 PolarHBondContact O-N 3.29Å; V273-L278 HydrophobicContact CG2-CD2 4.26Å; V273-I368 HydrophobicContact CB-CG2 4.42Å; V273-I368 HydrophobicContact CG2-CD1 4.44Å; V273-I368 HydrophobicContact CG2-CG2 3.18Å
274	S	86.7	Confident	88.5	Confident	84 Å²	84	40.3 Å²	40.3	59%	0.587	22%	0.22	S	C	*	.	H	α-helix	trans	-60.7	-32.2	-177.8	74.2	0	0	0	0	113.1	K270 H271 G276	K270-S274 WeakPolarHBondContact O-CB 3.41Å; K270-S274 PolarHBondContact O-N 3.35Å; H271-S274 WeakPolarHBondContact CA-OG 3.35Å; H271-S274 PolarHBondContact O-N 3.24Å; H271-S274 PolarHBondContact O-OG 3.06Å; S274-G276 VanDerWaalsContact C-N 3.34Å
275	Q	86.3	Confident	88.5	Confident	111 Å²	111	37.6 Å²	37.6	52%	0.519	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.9	176.6	-62.3	-57.4	-34.6	0	0	113.6	H271 V273 S277	H271-Q275 WeakPolarHBondContact O-CG 3.43Å; H271-Q275 PolarHBondContact O-N 3.3Å; V273-Q275 PolarHBondContact O-N 3.47Å; Q275-S277 PolarHBondContact O-N 3.35Å
276	G	83.7	Confident	88	Confident	50 Å²	50	38 Å²	38	52%	0.515	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	7	-173.5	0	0	0	0	0	114.3	V273 S274 L278	V273-G276 PolarHBondContact O-N 3.29Å; S274-G276 VanDerWaalsContact C-N 3.34Å; G276-L278 VanDerWaalsContact C-N 3.25Å; G276-L278 PolarHBondContact O-N 3.01Å
277	S	87.7	Confident	87.2	Confident	8 Å²	8	39.5 Å²	39.5	6%	0.056	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.9	-176.7	-70.8	0	0	0	0	114.1	L272 Q275 Q279 K280 L281	L272-S277 WeakPolarHBondContact O-CA 3.42Å; L272-S277 WeakPolarHBondContact O-CB 3.42Å; L272-S277 PolarHBondContact O-N 3.04Å; Q275-S277 PolarHBondContact O-N 3.35Å; S277-Q279 PolarHBondContact O-N 3.26Å; S277-K280 WeakPolarHBondContact O-CB 3.45Å; S277-K280 PolarHBondContact O-N 2.83Å; S277-K280 VanDerWaalsContact O-N 3.07Å; S277-L281 PolarHBondContact O-N 3.33Å
278	L	88.8	Confident	85.8	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-54.9	-39.1	174.7	-172.1	56.3	0	0	0	112.7	L272 V273 G276 K280 L281 L282 I368 L369 A372	L272-L278 HydrophobicContact CD2-CB 3.56Å; L272-L278 HydrophobicContact CD2-CD1 3.4Å; L272-L278 VanDerWaalsContact CD2-CD1 3.4Å; L272-L278 HydrophobicContact CD2-CG 4.03Å; L272-L278 PolarHBondContact O-N 3.48Å; L272-L278 VanDerWaalsContact O-N 3.09Å; V273-L278 HydrophobicContact CG2-CD2 4.26Å; G276-L278 VanDerWaalsContact C-N 3.25Å; G276-L278 PolarHBondContact O-N 3.01Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.14Å; L278-L281 WeakPolarHBondContact O-CB 3.47Å; L278-L281 PolarHBondContact O-N 3.04Å; L278-L281 VanDerWaalsContact O-N 3.17Å; L278-L282 HydrophobicContact CD1-CD1 4.28Å; L278-L282 HydrophobicContact CD1-CG 4.22Å; L278-L282 HydrophobicContact CD2-CD1 4.38Å; L278-L282 HydrophobicContact CG-CD1 3.85Å; L278-L282 HydrophobicContact CG-CG 4.21Å; L278-L282 WeakPolarHBondContact O-CG 3.46Å; L278-L282 PolarHBondContact O-N 3.28Å; L278-I368 HydrophobicContact CD2-CG2 4.49Å; L278-L369 HydrophobicContact CD1-CD2 4.5Å; L278-A372 HydrophobicContact CD2-CB 3.65Å
279	Q	86.6	Confident	84	Confident	96 Å²	96	52.2 Å²	52.2	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-31.6	179.8	-66.6	-64	-14.5	0	0	112.6	S277 L281 L282 H283 V290	S277-Q279 PolarHBondContact O-N 3.26Å; Q279-L281 VanDerWaalsContact C-N 3.32Å; Q279-L281 PolarHBondContact O-N 3.35Å; Q279-L282 PolarHBondContact O-N 3.18Å; Q279-H283 PolarHBondContact O-N 2.97Å; Q279-V290 HydrophobicContact CB-CG1 4.2Å
280	K	88.7	Confident	82.4	Confident	57 Å²	57	54.6 Å²	54.6	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-39.3	173.6	-65.8	176.8	173.8	178.1	0	111.1	V240 D241 S277 L278 H283	V240-K280 HydrophobicContact CG1-CB 4.41Å; V240-K280 HydrophobicContact CG1-CD 3.54Å; D241-K280 IonicContact OD1-NZ 3.55Å; D241-K280 PolarHBondContact OD1-NZ 3.16Å; S277-K280 WeakPolarHBondContact O-CB 3.45Å; S277-K280 PolarHBondContact O-N 2.83Å; S277-K280 VanDerWaalsContact O-N 3.07Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.14Å; K280-H283 VanDerWaalsContact O-CB 3.31Å; K280-H283 WeakPolarHBondContact O-CB 3.45Å
281	L	90.4	Very high	80.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-46	174.5	-177.7	64.7	0	0	0	111.5	I243 L256 I259 L263 S277 L278 Q279 H283 F284 T352 A355 L356	I243-L281 HydrophobicContact CD1-CB 4.46Å; I243-L281 HydrophobicContact CD1-CD1 4.33Å; L256-L281 HydrophobicContact CD2-CD1 3.49Å; L256-L281 VanDerWaalsContact CD2-CD1 3.49Å; I259-L281 HydrophobicContact CG2-CD1 4.39Å; L263-L281 HydrophobicContact CD1-CD2 3.77Å; S277-L281 PolarHBondContact O-N 3.33Å; L278-L281 WeakPolarHBondContact O-CB 3.47Å; L278-L281 PolarHBondContact O-N 3.04Å; L278-L281 VanDerWaalsContact O-N 3.17Å; Q279-L281 VanDerWaalsContact C-N 3.32Å; Q279-L281 PolarHBondContact O-N 3.35Å; L281-H283 PolarHBondContact O-N 3.36Å; L281-F284 PolarHBondContact O-N 2.91Å; L281-T352 HydrophobicContact CD1-CG2 3.92Å; L281-T352 HydrophobicContact CG-CG2 4.05Å; L281-T352 VanDerWaalsContact O-CG2 3.26Å; L281-T352 WeakPolarHBondContact O-CG2 3.5Å; L281-A355 HydrophobicContact CD1-CB 4.29Å; L281-A355 HydrophobicContact CD2-CB 4.32Å; L281-L356 HydrophobicContact CD2-CD2 4.45Å
282	L	90.3	Very high	78.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-16.4	-178	-63.6	179	0	0	0	113.8	L278 Q279 F284 I285 T286 L356 A372 V374 M377	L278-L282 HydrophobicContact CD1-CD1 4.28Å; L278-L282 HydrophobicContact CD1-CG 4.22Å; L278-L282 HydrophobicContact CD2-CD1 4.38Å; L278-L282 HydrophobicContact CG-CD1 3.85Å; L278-L282 HydrophobicContact CG-CG 4.21Å; L278-L282 WeakPolarHBondContact O-CG 3.46Å; L278-L282 PolarHBondContact O-N 3.28Å; Q279-L282 PolarHBondContact O-N 3.18Å; L282-F284 PolarHBondContact O-N 3.19Å; L282-I285 HydrophobicContact CD2-CD1 4.26Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-I285 VanDerWaalsContact O-N 3.1Å; L282-T286 PolarHBondContact O-N 3.02Å; L282-T286 PolarHBondContact O-OG1 2.97Å; L282-L356 HydrophobicContact CD2-CD1 4.14Å; L282-L356 HydrophobicContact CD2-CD2 3.96Å; L282-A372 HydrophobicContact CD1-CB 4.21Å; L282-V374 HydrophobicContact CD1-CG2 3.99Å; L282-V374 HydrophobicContact CD2-CG2 3.91Å; L282-M377 HydrophobicContact CB-CE 4.46Å; L282-M377 HydrophobicContact CB-SD 3.89Å; L282-M377 HydrophobicContact CD1-CE 3.85Å; L282-M377 HydrophobicContact CD1-SD 3.95Å; L282-M377 HydrophobicContact CD2-SD 4.09Å; L282-M377 HydrophobicContact CG-SD 4.18Å
283	H	87.3	Confident	76.1	Confident	19 Å²	19	63.1 Å²	63.1	9%	0.088	32%	0.324	C	S	.	.	H	α-helix	trans	-49.6	-45.6	172.2	172.5	57.7	0	0	0	112.3	Q279 K280 L281 I285 T286 D287 R288 V290 Y291	Q279-H283 PolarHBondContact O-N 2.97Å; K280-H283 VanDerWaalsContact O-CB 3.31Å; K280-H283 WeakPolarHBondContact O-CB 3.45Å; L281-H283 PolarHBondContact O-N 3.36Å; H283-I285 PolarHBondContact O-N 3.06Å; H283-T286 PolarHBondContact O-N 2.69Å; H283-D287 PolarHBondContact O-N 3.02Å; H283-R288 PolarHBondContact CE1-O 3.27Å; H283-R288 VanDerWaalsContact CE1-O 3.23Å; H283-R288 PolarHBondContact ND1-O 3.28Å; H283-V290 HydrophobicContact CB-CB 4.44Å; H283-V290 HydrophobicContact CB-CG2 3.84Å; H283-Y291 AromaticContact CD2-CZ 3.82Å; H283-Y291 PolarHBondContact CD2-OH 2.89Å; H283-Y291 AromaticContact CE1-CE2 3.83Å; H283-Y291 AromaticContact NE2-CE2 3.52Å; H283-Y291 AromaticContact NE2-CZ 3.69Å; H283-Y291 PolarHBondContact NE2-OH 3.28Å; H283-Y291 VanDerWaalsContact NE2-OH 3.14Å
284	F	88.1	Confident	74	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.022	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-28.6	-176.6	-70.6	-88.1	0	0	0	112.4	I243 H252 L256 L281 L282 T344 A348 K349 T352	I243-F284 HydrophobicContact CB-CE2 3.79Å; I243-F284 HydrophobicContact CB-CZ 3.98Å; I243-F284 HydrophobicContact CD1-CE2 4.24Å; I243-F284 HydrophobicContact CG1-CE2 4.42Å; H252-F284 HydrophobicContact CB-CE1 4.11Å; H252-F284 HydrophobicContact CB-CZ 4.21Å; H252-F284 AromaticContact CE1-CZ 3.93Å; H252-F284 AromaticContact CG-CZ 3.85Å; H252-F284 AromaticContact ND1-CE1 3.42Å; H252-F284 WeakPolarHBondContact ND1-CE1 3.43Å; H252-F284 AromaticContact ND1-CZ 3.39Å; H252-F284 WeakPolarHBondContact ND1-CZ 3.34Å; L256-F284 HydrophobicContact CD1-CD1 4.25Å; L256-F284 HydrophobicContact CD1-CE1 4.35Å; L256-F284 HydrophobicContact CD1-CG 4.35Å; L256-F284 HydrophobicContact CD2-CD2 4.41Å; L281-F284 PolarHBondContact O-N 2.91Å; L282-F284 PolarHBondContact O-N 3.19Å; F284-T344 HydrophobicContact CD1-CG2 4.19Å; F284-T344 PolarHBondContact O-OG1 3.41Å; F284-A348 HydrophobicContact CD1-CB 3.68Å; F284-A348 HydrophobicContact CE1-CB 4.12Å; F284-K349 VanDerWaalsContact O-CG 3.28Å; F284-K349 WeakPolarHBondContact O-CG 3.32Å; F284-K349 PolarHBondContact O-NZ 2.95Å; F284-T352 HydrophobicContact CB-CG2 4.22Å; F284-T352 WeakPolarHBondContact CB-OG1 3.42Å
285	I	86.6	Confident	72.2	Confident	7 Å²	7	63 Å²	63	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-78.5	-46.5	176.4	-64	173.9	0	0	0	111.3	L282 H283 K349 T352 L356 M377 L378 L381	L282-I285 HydrophobicContact CD2-CD1 4.26Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-I285 VanDerWaalsContact O-N 3.1Å; H283-I285 PolarHBondContact O-N 3.06Å; I285-K349 PolarHBondContact O-NZ 3.22Å; I285-T352 HydrophobicContact CD1-CG2 3.88Å; I285-T352 HydrophobicContact CG1-CG2 3.78Å; I285-L356 HydrophobicContact CD1-CD1 3.35Å; I285-L356 HydrophobicContact CD1-CG 4.5Å; I285-M377 HydrophobicContact CB-CB 4.48Å; I285-M377 HydrophobicContact CG2-CB 3.58Å; I285-L378 HydrophobicContact CD1-CD2 4.45Å; I285-L381 HydrophobicContact CB-CD1 4.31Å; I285-L381 HydrophobicContact CG1-CD1 4.09Å; I285-L381 HydrophobicContact CG2-CD1 3.58Å; I285-L381 HydrophobicContact CG2-CD2 4.12Å; I285-L381 HydrophobicContact CG2-CG 3.68Å
286	T	78.1	Confident	70.4	Confident	42 Å²	42	60.8 Å²	60.8	26%	0.258	31%	0.311	S	S	.	.	H	α-helix	trans	-87.6	-13.8	-167.5	58.9	0	0	0	0	114.8	L282 H283 R288 M377	L282-T286 PolarHBondContact O-N 3.02Å; L282-T286 PolarHBondContact O-OG1 2.97Å; H283-T286 PolarHBondContact O-N 2.69Å; T286-R288 PolarHBondContact O-N 3.34Å; T286-R288 PolarHBondContact OG1-N 3.21Å; T286-M377 HydrophobicContact CG2-CB 4.2Å; T286-M377 HydrophobicContact CG2-CE 4.28Å; T286-M377 HydrophobicContact CG2-CG 3.69Å; T286-M377 HydrophobicContact CG2-SD 3.49Å; T286-M377 WeakPolarHBondContact CG2-SD 3.48Å
287	D	70.2	Confident	68.3	Low	58 Å²	58	64.5 Å²	64.5	31%	0.31	31%	0.313	S	S	.	.			trans	54.2	16	-170	-62.7	-55.3	0	0	0	113.8	H283 T344 K349	H283-D287 PolarHBondContact O-N 3.02Å; D287-T344 WeakPolarHBondContact OD1-CB 3.47Å; D287-T344 VanDerWaalsContact OD1-CG2 3.26Å; D287-T344 WeakPolarHBondContact OD1-CG2 3.38Å; D287-T344 PolarHBondContact OD1-OG1 3.36Å; D287-K349 VanDerWaalsContact CG-NZ 3.28Å; D287-K349 IonicContact OD1-NZ 2.86Å; D287-K349 PolarHBondContact OD1-NZ 3.2Å; D287-K349 IonicContact OD2-NZ 3.56Å; D287-K349 PolarHBondContact OD2-NZ 3.41Å
288	R	62	Low	66	Low	185 Å²	185	68.4 Å²	68.4	70%	0.698	34%	0.337	S	S	*	.			trans	-83.9	126.3	179.5	-72.4	-177.7	174.8	-169.7	-1.1	110.2	H283 T286 V290	H283-R288 PolarHBondContact CE1-O 3.27Å; H283-R288 VanDerWaalsContact CE1-O 3.23Å; H283-R288 PolarHBondContact ND1-O 3.28Å; T286-R288 PolarHBondContact O-N 3.34Å; T286-R288 PolarHBondContact OG1-N 3.21Å; R288-V290 WeakPolarHBondContact O-CG2 3.36Å; R288-V290 PolarHBondContact O-N 2.92Å; R288-V290 VanDerWaalsContact O-N 3.08Å
289	Q	54.6	Low	63.8	Low	182 Å²	182	70.2 Å²	70.2	85%	0.85	35%	0.346	S	S	*	.			trans	-56.8	115.1	175.8	-69.9	-178.2	-17.2	0	0	111.3
290	V	55	Low	61.4	Low	52 Å²	52	68.2 Å²	68.2	32%	0.315	34%	0.343	S	S	.	.			trans	-100.1	-6.9	177	-178.8	0	0	0	0	111.9	Q279 H283 R288	Q279-V290 HydrophobicContact CB-CG1 4.2Å; H283-V290 HydrophobicContact CB-CB 4.44Å; H283-V290 HydrophobicContact CB-CG2 3.84Å; R288-V290 WeakPolarHBondContact O-CG2 3.36Å; R288-V290 PolarHBondContact O-N 2.92Å; R288-V290 VanDerWaalsContact O-N 3.08Å
291	Y	53.8	Low	58.9	Low	48 Å²	48	67.9 Å²	67.9	19%	0.188	35%	0.351	C	S	.	.			trans	-81.1	128.1	-171.3	-47.5	-72.2	0	0	0	112.3	G244 P246 H283	G244-Y291 VanDerWaalsContact C-CE1 3.46Å; G244-Y291 WeakPolarHBondContact O-CD1 3.49Å; G244-Y291 WeakPolarHBondContact O-CE1 3.41Å; P246-Y291 HydrophobicContact CG-CD1 4.03Å; P246-Y291 HydrophobicContact CG-CD2 3.67Å; P246-Y291 HydrophobicContact CG-CE1 3.95Å; P246-Y291 HydrophobicContact CG-CE2 3.59Å; P246-Y291 HydrophobicContact CG-CG 3.89Å; H283-Y291 AromaticContact CD2-CZ 3.82Å; H283-Y291 PolarHBondContact CD2-OH 2.89Å; H283-Y291 AromaticContact CE1-CE2 3.83Å; H283-Y291 AromaticContact NE2-CE2 3.52Å; H283-Y291 AromaticContact NE2-CZ 3.69Å; H283-Y291 PolarHBondContact NE2-OH 3.28Å; H283-Y291 VanDerWaalsContact NE2-OH 3.14Å
292	N	48.9	Very low	56.4	Low	105 Å²	105	72.6 Å²	72.6	56%	0.561	38%	0.376	S	S	*	.			trans	-72.6	142.2	167.2	-66.6	-45.3	0	0	0	109.1	S294 D295	N292-S294 WeakPolarHBondContact CB-OG 3.22Å; N292-S294 PolarHBondContact O-N 3.01Å; N292-D295 PolarHBondContact O-N 3.34Å
293	E	37.6	Very low	54	Low	141 Å²	141	77.3 Å²	77.3	66%	0.659	40%	0.398	S	S	*	.	H	α-helix	trans	-55.9	-22.6	175.9	-82.9	-166.7	-177.3	0	0	113.5	D295 K297	E293-D295 VanDerWaalsContact C-N 3.34Å; E293-K297 WeakPolarHBondContact O-CG 3.32Å; E293-K297 IonicContact OE2-NZ 3.54Å; E293-K297 PolarHBondContact OE2-NZ 2.82Å
294	S	43.6	Very low	51.7	Low	68 Å²	68	82.5 Å²	82.5	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-39.1	173.1	49.7	0	0	0	0	112.2	N292 K297 V298	N292-S294 WeakPolarHBondContact CB-OG 3.22Å; N292-S294 PolarHBondContact O-N 3.01Å; S294-K297 PolarHBondContact O-N 3.29Å; S294-V298 WeakPolarHBondContact O-CG2 3.18Å; S294-V298 PolarHBondContact O-N 3.46Å
295	D	48.6	Very low	49.4	Very low	75 Å²	75	89.4 Å²	89.4	40%	0.401	45%	0.454	S	S	.	.	H	α-helix	trans	-75.1	-32.6	-171.3	-54.3	-18.8	0	0	0	110.3	N292 E293	N292-D295 PolarHBondContact O-N 3.34Å; E293-D295 VanDerWaalsContact C-N 3.34Å
296	I	48.7	Very low	47.2	Very low	64 Å²	64	93.5 Å²	93.5	33%	0.328	48%	0.477	S	S	.	.	H	α-helix	trans	-67.8	-35.8	175.5	-55.2	173.8	0	0	0	111.3	S300	I296-S300 PolarHBondContact O-OG 3.31Å
297	K	37.8	Very low	45.3	Very low	129 Å²	129	98.6 Å²	98.6	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-81.4	-31.6	-173.9	-73.6	174.1	-174.1	159.1	0	113.7	E293 S294 A301	E293-K297 WeakPolarHBondContact O-CG 3.32Å; E293-K297 IonicContact OE2-NZ 3.54Å; E293-K297 PolarHBondContact OE2-NZ 2.82Å; S294-K297 PolarHBondContact O-N 3.29Å; K297-A301 PolarHBondContact O-N 3.02Å
298	V	40.9	Very low	43.8	Very low	90 Å²	90	102.8 Å²	102.8	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-39.5	-176.2	175.6	0	0	0	0	111.5	S294	S294-V298 WeakPolarHBondContact O-CG2 3.18Å; S294-V298 PolarHBondContact O-N 3.46Å
299	N	42.2	Very low	42.9	Very low	51 Å²	51	102.6 Å²	102.6	27%	0.273	52%	0.522	S	S	.	.	H	α-helix	trans	-79.3	-30.3	179.6	-73.6	-17.5	0	0	0	113.4	V245 A301 N302 Q303	V245-N299 WeakPolarHBondContact CG2-ND2 3.49Å; N299-A301 VanDerWaalsContact C-N 3.28Å; N299-A301 PolarHBondContact O-N 3.43Å; N299-N302 PolarHBondContact O-N 3.02Å; N299-Q303 PolarHBondContact O-N 3.4Å; N299-Q303 VanDerWaalsContact O-N 3.13Å
300	S	36.4	Very low	41.9	Very low	54 Å²	54	101.6 Å²	101.6	38%	0.378	52%	0.522	S	S	.	.	H	α-helix	trans	-58.5	-40.1	171.7	-61.6	0	0	0	0	111.8	I296 Q304	I296-S300 PolarHBondContact O-OG 3.31Å; S300-Q304 WeakPolarHBondContact O-CB 3.38Å; S300-Q304 PolarHBondContact O-N 2.82Å
301	A	36.3	Very low	41	Very low	50 Å²	50	103.8 Å²	103.8	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-37.8	179.9	0	0	0	0	0	113.1	K297 N299 Q304 Q305	K297-A301 PolarHBondContact O-N 3.02Å; N299-A301 VanDerWaalsContact C-N 3.28Å; N299-A301 PolarHBondContact O-N 3.43Å; A301-Q304 PolarHBondContact O-N 3.3Å; A301-Q305 PolarHBondContact O-N 2.99Å
302	N	37.7	Very low	40	Very low	100 Å²	100	112.2 Å²	112.2	54%	0.535	58%	0.583	S	S	.	*	H	α-helix	trans	-71.4	-33.7	178.3	-71.9	-12.1	0	0	0	112.2	N299	N299-N302 PolarHBondContact O-N 3.02Å
303	Q	40.2	Very low	39.3	Very low	98 Å²	98	110.6 Å²	110.6	46%	0.458	59%	0.592	S	S	.	*	H	α-helix	trans	-77.9	-26.7	174.4	-68.3	-173.2	14.3	0	0	113.6	N299	N299-Q303 PolarHBondContact O-N 3.4Å; N299-Q303 VanDerWaalsContact O-N 3.13Å
304	Q	38.7	Very low	39.1	Very low	128 Å²	128	116 Å²	116	60%	0.598	61%	0.606	S	S	*	*	H	α-helix	trans	-76.2	-34.1	176.7	-130.6	80.9	12.4	0	0	112.6	S300 A301 N306 K307	S300-Q304 WeakPolarHBondContact O-CB 3.38Å; S300-Q304 PolarHBondContact O-N 2.82Å; A301-Q304 PolarHBondContact O-N 3.3Å; Q304-N306 VanDerWaalsContact C-N 3.34Å; Q304-N306 PolarHBondContact O-N 3.46Å; Q304-K307 PolarHBondContact O-N 2.89Å
305	Q	38.5	Very low	38.4	Very low	150 Å²	150	122.4 Å²	122.4	70%	0.701	63%	0.626	S	S	*	*	H	α-helix	trans	-71.9	-22.5	-179	-79.8	-174.1	-4.4	0	0	114.3	A301	A301-Q305 PolarHBondContact O-N 2.99Å
306	N	40.7	Very low	37.8	Very low	94 Å²	94	124.6 Å²	124.6	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-89.9	-13.2	176.7	-84.7	-18.1	0	0	0	114.5	E205 Q304	E205-N306 VanDerWaalsContact CD-ND2 3.29Å; E205-N306 PolarHBondContact OE1-ND2 2.81Å; Q304-N306 VanDerWaalsContact C-N 3.34Å; Q304-N306 PolarHBondContact O-N 3.46Å
307	K	38.7	Very low	37.1	Very low	149 Å²	149	126.7 Å²	126.7	65%	0.648	66%	0.664	S	S	*	*	H	α-helix	trans	-79.8	-15.3	176.6	-85.4	177.2	176.6	165.3	0	114.5	Q304 K309	Q304-K307 PolarHBondContact O-N 2.89Å; K307-K309 VanDerWaalsContact C-N 3.35Å; K307-K309 PolarHBondContact O-N 3.18Å
308	D	39	Very low	36.9	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	6.5	-175.2	-82.2	-22.3	0	0	0	115.4
309	K	42	Very low	36.7	Very low	180 Å²	180	132.6 Å²	132.6	78%	0.783	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-3.9	-179.8	-73.5	-177.2	-178.3	169.4	0	116.9	K307	K307-K309 VanDerWaalsContact C-N 3.35Å; K307-K309 PolarHBondContact O-N 3.18Å
310	N	34.8	Very low	36.2	Very low	162 Å²	162	139.7 Å²	139.7	87%	0.866	72%	0.724	S	S	*	*	S	Bend	trans	-143.2	78.4	178.7	-89.3	-26.4	0	0	0	112.9
311	A	36	Very low	36.2	Very low	98 Å²	98	142.4 Å²	142.4	81%	0.81	74%	0.743	S	S	*	*			trans	-155.3	75.4	167	0	0	0	0	0	113.3
312	K	32.8	Very low	36.3	Very low	224 Å²	224	146.9 Å²	146.9	97%	0.974	76%	0.76	S	S	*	*			trans	-110.3	97.3	155.4	-85.9	-176.3	178.2	172.8	0	108.4
313	G	34.1	Very low	36.2	Very low	72 Å²	72	151.2 Å²	151.2	74%	0.742	77%	0.774	S	S	*	*	S	Bend	trans	169.5	90.1	172.6	0	0	0	0	0	116.5
314	R	34.2	Very low	36	Very low	254 Å²	254	156.1 Å²	156.1	96%	0.958	79%	0.794	S	S	*	*			trans	59	107.3	150.4	-72.6	178.7	170.9	173.4	-3.1	120.4
315	K	28.5	Very low	35.9	Very low	203 Å²	203	158.8 Å²	158.8	88%	0.883	80%	0.803	S	S	*	*			trans	-72.5	159.2	156.8	-76.9	179	173	176	0	112.2
316	P	35.4	Very low	35.6	Very low	120 Å²	120	156.7 Å²	156.7	78%	0.779	81%	0.806	S	S	*	*				-136.4	132.2	115.9	27.3	-9.3	0	0	0	115.6
317	S	35.1	Very low	35.4	Very low	108 Å²	108	157.7 Å²	157.7	76%	0.755	82%	0.82	S	S	*	*			trans	46.9	120.6	136.1	-39.8	0	0	0	0	123.1
318	P	33.5	Very low	35.2	Very low	129 Å²	129	160.6 Å²	160.6	84%	0.838	83%	0.832	S	S	*	*			trans	-102.1	147.1	166	36.5	-26.8	0	0	0	112.9
319	K	35.9	Very low	35	Very low	215 Å²	215	157.3 Å²	157.3	94%	0.935	83%	0.833	S	S	*	*			trans	-108.4	129.5	166.1	-84.4	-175.1	176.2	178.1	0	110.8
320	K	31.4	Very low	34.6	Very low	200 Å²	200	156.1 Å²	156.1	87%	0.87	84%	0.835	S	S	*	*			trans	-99.3	150	171.2	-80.7	-179.9	173.2	176.6	0	110.5
321	S	37.2	Very low	34.8	Very low	110 Å²	110	154.2 Å²	154.2	77%	0.769	83%	0.834	S	S	*	*			trans	-163.8	102	146.3	50.4	0	0	0	0	107.4
322	D	38.8	Very low	34.6	Very low	145 Å²	145	158 Å²	158	78%	0.775	84%	0.841	S	S	*	*				68.6	104.9	92.1	-76.7	-34.8	0	0	0	113.9
323	K	35.2	Very low	34.7	Very low	191 Å²	191	150.8 Å²	150.8	83%	0.83	83%	0.83	S	S	*	*				86.5	119.1	74.1	-112.7	-175.6	-176.3	172.3	0	115.4
324	K	36.1	Very low	34.6	Very low	201 Å²	201	156.9 Å²	156.9	87%	0.874	84%	0.836	S	S	*	*			trans	127.5	151.8	144.9	-81.3	179	173.9	174.8	0	112.5
325	K	35.3	Very low	34.6	Very low	183 Å²	183	154.7 Å²	154.7	80%	0.796	83%	0.833	S	S	*	*			cis	178.7	128.1	-27.1	-142.2	-173.5	-175.1	-172.1	0	105.5
326	S	33.1	Very low	35	Very low	107 Å²	107	152 Å²	152	75%	0.748	83%	0.829	S	S	*	*			trans	54	120.4	142.7	63.2	0	0	0	0	123.7
327	S	37.3	Very low	34.9	Very low	114 Å²	114	155.6 Å²	155.6	80%	0.797	84%	0.835	S	S	*	*				-175.9	101.6	129	54.2	0	0	0	0	108.8
328	K	33.6	Very low	34.9	Very low	211 Å²	211	159.4 Å²	159.4	92%	0.917	84%	0.841	S	S	*	*				45	108.8	92.9	-144.1	178.2	-171.1	179.6	0	114.8
329	G	35.5	Very low	35	Very low	76 Å²	76	161.8 Å²	161.8	78%	0.784	84%	0.838	S	S	*	*			trans	-176.3	107.9	169.5	0	0	0	0	0	110.4
330	D	32.7	Very low	34.9	Very low	155 Å²	155	157.1 Å²	157.1	83%	0.829	83%	0.83	S	S	*	*			trans	-64.8	144.5	177.5	-64.7	-56.7	0	0	0	112.6
331	S	38.8	Very low	35.2	Very low	122 Å²	122	152.9 Å²	152.9	85%	0.853	82%	0.823	S	S	*	*			trans	-179.6	138.1	130.8	35.5	0	0	0	0	112
332	D	32.7	Very low	35.9	Very low	179 Å²	179	149.8 Å²	149.8	96%	0.957	80%	0.801	S	S	*	*			trans	-49.8	137.2	179.1	-73.6	-57.9	0	0	0	115.1
333	G	33.3	Very low	37	Very low	72 Å²	72	150.1 Å²	150.1	74%	0.742	80%	0.803	S	S	*	*			trans	-175.2	101.7	168.8	0	0	0	0	0	112
334	K	33.7	Very low	39	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.865	77%	0.768	S	S	*	*			trans	18.3	108.2	161	-75.2	175.2	171.7	178.2	0	117.2	D336	K334-D336 PolarHBondContact O-N 3.06Å
335	K	32.8	Very low	41.2	Very low	208 Å²	208	136.6 Å²	136.6	90%	0.904	75%	0.75	S	S	*	*			trans	-71.3	102.3	162.4	-76.9	-178.3	174.7	-178.9	0	109.6
336	D	36.9	Very low	43.8	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	72%	0.724	S	S	*	*			trans	-72.7	124.1	152.1	-71.4	-39.7	0	0	0	107.5	K334 E338	K334-D336 PolarHBondContact O-N 3.06Å; D336-E338 PolarHBondContact O-N 2.89Å
337	E	34.4	Very low	46.6	Very low	194 Å²	194	129.4 Å²	129.4	91%	0.907	71%	0.71	S	S	*	*			trans	-69.9	93.5	174.3	-75.4	-175.8	152.3	0	0	109.6	K339	E337-K339 PolarHBondContact O-N 2.73Å
338	E	35.1	Very low	49.2	Very low	189 Å²	189	124.1 Å²	124.1	88%	0.883	67%	0.674	S	S	*	*			trans	-64.6	112.2	163.4	-80.7	-178.3	152.3	0	0	109.3	D336	D336-E338 PolarHBondContact O-N 2.89Å
339	K	35.7	Very low	52	Low	179 Å²	179	114.1 Å²	114.1	78%	0.778	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-57.2	131.6	170.3	-90.6	178.6	174.2	179.1	0	109.5	E337	E337-K339 PolarHBondContact O-N 2.73Å
340	P	33.6	Very low	54.8	Low	116 Å²	116	112.6 Å²	112.6	75%	0.753	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-61.7	143.1	174.7	26	-32.4	0	0	0	110.1	S342	P340-S342 PolarHBondContact O-N 3.17Å
341	P	38.3	Very low	57.7	Low	111 Å²	111	107.1 Å²	107.1	72%	0.721	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-58.5	136.9	177.3	23.2	-31.7	0	0	0	110.5	N343	P341-N343 PolarHBondContact O-N 3.06Å; P341-N343 VanDerWaalsContact O-N 3.13Å
342	S	51.9	Low	60.3	Low	45 Å²	45	101.3 Å²	101.3	32%	0.315	53%	0.532	S	S	.	.			trans	-53.3	114.6	173.5	165.4	0	0	0	0	109.4	P340 T344 K349	P340-S342 PolarHBondContact O-N 3.17Å; S342-T344 PolarHBondContact O-N 2.7Å; S342-T344 PolarHBondContact OG-O 3.21Å; S342-T344 VanDerWaalsContact OG-O 3.07Å; S342-K349 VanDerWaalsContact OG-CE 3.24Å; S342-K349 WeakPolarHBondContact OG-CE 3.32Å
343	N	61.8	Low	63.4	Low	152 Å²	152	92.8 Å²	92.8	81%	0.813	49%	0.487	S	S	*	.			trans	-78.1	-10.7	177.7	-80.9	-16.8	0	0	0	112.5	P341	P341-N343 PolarHBondContact O-N 3.06Å; P341-N343 VanDerWaalsContact O-N 3.13Å
344	T	75.4	Confident	66.3	Low	18 Å²	18	91.1 Å²	91.1	11%	0.11	46%	0.461	C	S	.	.	S	Bend	trans	-96.1	137.8	-180	57.5	0	0	0	0	111.4	F284 D287 S342 K349	F284-T344 HydrophobicContact CD1-CG2 4.19Å; F284-T344 PolarHBondContact O-OG1 3.41Å; D287-T344 WeakPolarHBondContact OD1-CB 3.47Å; D287-T344 VanDerWaalsContact OD1-CG2 3.26Å; D287-T344 WeakPolarHBondContact OD1-CG2 3.38Å; D287-T344 PolarHBondContact OD1-OG1 3.36Å; S342-T344 PolarHBondContact O-N 2.7Å; S342-T344 PolarHBondContact OG-O 3.21Å; S342-T344 VanDerWaalsContact OG-O 3.07Å; T344-K349 WeakPolarHBondContact OG1-CE 3.25Å; T344-K349 PolarHBondContact OG1-NZ 3.25Å
345	L	83.1	Confident	69.2	Low	91 Å²	91	81.6 Å²	81.6	48%	0.476	42%	0.42	S	S	.	.			trans	-61.9	139	177	-69.1	170.6	0	0	0	110.3	E347 A348 K349	L345-E347 PolarHBondContact O-N 3.16Å; L345-A348 HydrophobicContact CB-CB 4.33Å; L345-A348 WeakPolarHBondContact O-CB 3.4Å; L345-A348 PolarHBondContact O-N 3.28Å; L345-K349 PolarHBondContact O-N 3.22Å
346	P	89.9	Confident	72.2	Confident	39 Å²	39	71.7 Å²	71.7	25%	0.253	38%	0.376	S	S	.	.	H	α-helix	trans	-51.5	-38.9	174.5	-27.5	35.4	0	0	0	112.8	A348 K349 I350 D386 V389	P346-A348 VanDerWaalsContact C-N 3.34Å; P346-A348 PolarHBondContact O-N 3.5Å; P346-K349 WeakPolarHBondContact O-CB 3.17Å; P346-K349 PolarHBondContact O-N 3.45Å; P346-I350 WeakPolarHBondContact O-CG1 3.35Å; P346-I350 PolarHBondContact O-N 3.47Å; P346-D386 HydrophobicContact CB-CB 4.24Å; P346-V389 HydrophobicContact CB-CG2 3.91Å
347	E	91.6	Very high	74.9	Confident	99 Å²	99	66.9 Å²	66.9	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-43.2	176.6	-63.2	82.8	176.4	0	0	111.5	V253 L345 K349 I350 H351	V253-E347 HydrophobicContact CG2-CB 4.05Å; L345-E347 PolarHBondContact O-N 3.16Å; E347-K349 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 3.41Å; E347-I350 PolarHBondContact O-N 3.24Å; E347-H351 PolarHBondContact O-CD2 3.38Å; E347-H351 PolarHBondContact O-N 2.79Å
348	A	91.7	Very high	77.7	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-38.5	178.2	0	0	0	0	0	111.6	V253 L256 F284 L345 P346 T352	V253-A348 HydrophobicContact CG2-CB 4.44Å; L256-A348 HydrophobicContact CD1-CB 4.03Å; L256-A348 WeakPolarHBondContact CD1-O 3.4Å; F284-A348 HydrophobicContact CD1-CB 3.68Å; F284-A348 HydrophobicContact CE1-CB 4.12Å; L345-A348 HydrophobicContact CB-CB 4.33Å; L345-A348 WeakPolarHBondContact O-CB 3.4Å; L345-A348 PolarHBondContact O-N 3.28Å; P346-A348 VanDerWaalsContact C-N 3.34Å; P346-A348 PolarHBondContact O-N 3.5Å; A348-T352 WeakPolarHBondContact O-CB 3.37Å; A348-T352 PolarHBondContact O-N 3.28Å; A348-T352 PolarHBondContact O-OG1 3.21Å
349	K	93.4	Very high	80.5	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-46	172	-70.3	-177.9	-172.8	-63.9	0	111.3	F284 I285 D287 S342 T344 L345 P346 E347 T352 C353 L381 V389	F284-K349 VanDerWaalsContact O-CG 3.28Å; F284-K349 WeakPolarHBondContact O-CG 3.32Å; F284-K349 PolarHBondContact O-NZ 2.95Å; I285-K349 PolarHBondContact O-NZ 3.22Å; D287-K349 VanDerWaalsContact CG-NZ 3.28Å; D287-K349 IonicContact OD1-NZ 2.86Å; D287-K349 PolarHBondContact OD1-NZ 3.2Å; D287-K349 IonicContact OD2-NZ 3.56Å; D287-K349 PolarHBondContact OD2-NZ 3.41Å; S342-K349 VanDerWaalsContact OG-CE 3.24Å; S342-K349 WeakPolarHBondContact OG-CE 3.32Å; T344-K349 WeakPolarHBondContact OG1-CE 3.25Å; T344-K349 PolarHBondContact OG1-NZ 3.25Å; L345-K349 PolarHBondContact O-N 3.22Å; P346-K349 WeakPolarHBondContact O-CB 3.17Å; P346-K349 PolarHBondContact O-N 3.45Å; E347-K349 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 3.41Å; K349-T352 WeakPolarHBondContact O-CB 3.45Å; K349-T352 PolarHBondContact O-N 2.7Å; K349-C353 PolarHBondContact O-N 3.23Å; K349-C353 PolarHBondContact O-SG 3.31Å; K349-L381 HydrophobicContact CD-CD2 4.12Å; K349-V389 HydrophobicContact CB-CG1 4.1Å; K349-V389 HydrophobicContact CB-CG2 3.93Å; K349-V389 HydrophobicContact CD-CG1 4.01Å; K349-V389 HydrophobicContact CD-CG2 4.25Å
350	I	94.4	Very high	83.3	Confident	44 Å²	44	44.4 Å²	44.4	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-48.3	178.4	-68.6	164.7	0	0	0	111.2	P346 E347 T352 C353 N354 V389 A392	P346-I350 WeakPolarHBondContact O-CG1 3.35Å; P346-I350 PolarHBondContact O-N 3.47Å; E347-I350 PolarHBondContact O-N 3.24Å; I350-T352 VanDerWaalsContact C-N 3.29Å; I350-T352 PolarHBondContact O-N 3.22Å; I350-C353 WeakPolarHBondContact O-CB 3.22Å; I350-C353 PolarHBondContact O-N 3.05Å; I350-N354 PolarHBondContact O-N 3.06Å; I350-N354 PolarHBondContact O-ND2 2.98Å; I350-V389 HydrophobicContact CD1-CG2 4.41Å; I350-V389 HydrophobicContact CG1-CG2 4.03Å; I350-A392 HydrophobicContact CG1-CB 4.33Å; I350-A392 HydrophobicContact CG2-CB 4.28Å
351	H	93.3	Very high	86	Confident	39 Å²	39	41.9 Å²	41.9	18%	0.181	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-31.1	179	-76.2	-78.3	0	0	0	112.7	L256 Q257 E347 N354 A355	L256-H351 HydrophobicContact CB-CB 3.76Å; L256-H351 HydrophobicContact CD1-CB 4.28Å; Q257-H351 PolarHBondContact OE1-CE1 3.12Å; Q257-H351 PolarHBondContact OE1-ND1 3.41Å; E347-H351 PolarHBondContact O-CD2 3.38Å; E347-H351 PolarHBondContact O-N 2.79Å; H351-N354 PolarHBondContact O-N 2.93Å; H351-A355 PolarHBondContact O-N 3.43Å
352	T	94.4	Very high	88.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-45.1	171.1	-56.3	0	0	0	0	111.4	L281 F284 I285 A348 K349 I350 N354 A355 L356	L281-T352 HydrophobicContact CD1-CG2 3.92Å; L281-T352 HydrophobicContact CG-CG2 4.05Å; L281-T352 VanDerWaalsContact O-CG2 3.26Å; L281-T352 WeakPolarHBondContact O-CG2 3.5Å; F284-T352 HydrophobicContact CB-CG2 4.22Å; F284-T352 WeakPolarHBondContact CB-OG1 3.42Å; I285-T352 HydrophobicContact CD1-CG2 3.88Å; I285-T352 HydrophobicContact CG1-CG2 3.78Å; A348-T352 WeakPolarHBondContact O-CB 3.37Å; A348-T352 PolarHBondContact O-N 3.28Å; A348-T352 PolarHBondContact O-OG1 3.21Å; K349-T352 WeakPolarHBondContact O-CB 3.45Å; K349-T352 PolarHBondContact O-N 2.7Å; I350-T352 VanDerWaalsContact C-N 3.29Å; I350-T352 PolarHBondContact O-N 3.22Å; T352-N354 VanDerWaalsContact C-N 3.3Å; T352-N354 PolarHBondContact O-N 2.99Å; T352-A355 WeakPolarHBondContact O-CB 3.37Å; T352-A355 PolarHBondContact O-N 3.37Å; T352-A355 VanDerWaalsContact O-N 3.11Å; T352-L356 PolarHBondContact O-N 3.42Å
353	C	96.1	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-42	172.2	-72.2	0	0	0	0	111.5	K349 I350 A355 L356 M357 A392 V396	K349-C353 PolarHBondContact O-N 3.23Å; K349-C353 PolarHBondContact O-SG 3.31Å; I350-C353 WeakPolarHBondContact O-CB 3.22Å; I350-C353 PolarHBondContact O-N 3.05Å; C353-A355 VanDerWaalsContact C-N 3.28Å; C353-A355 PolarHBondContact O-N 3.38Å; C353-L356 PolarHBondContact O-N 3.46Å; C353-M357 WeakPolarHBondContact O-CB 3.37Å; C353-M357 PolarHBondContact O-N 2.97Å; C353-A392 HydrophobicContact CB-CB 3.7Å; C353-V396 HydrophobicContact CB-CG2 3.94Å; C353-V396 WeakPolarHBondContact O-CG2 3.34Å
354	N	94.6	Very high	91.7	Very high	37 Å²	37	43.6 Å²	43.6	20%	0.198	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-35.9	175.5	-70.6	-27.6	0	0	0	112.7	I350 H351 T352 M357 R358	I350-N354 PolarHBondContact O-N 3.06Å; I350-N354 PolarHBondContact O-ND2 2.98Å; H351-N354 PolarHBondContact O-N 2.93Å; T352-N354 VanDerWaalsContact C-N 3.3Å; T352-N354 PolarHBondContact O-N 2.99Å; N354-M357 PolarHBondContact O-N 3.42Å; N354-R358 WeakPolarHBondContact O-CG 3.49Å; N354-R358 PolarHBondContact O-N 3.44Å; N354-R358 VanDerWaalsContact O-N 3.14Å
355	A	94.6	Very high	92.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-44.5	174.5	0	0	0	0	0	111.6	A260 L263 L281 H351 T352 C353 M357 R358 A359	A260-A355 HydrophobicContact CB-CB 3.76Å; L263-A355 HydrophobicContact CD1-CB 4.08Å; L281-A355 HydrophobicContact CD1-CB 4.29Å; L281-A355 HydrophobicContact CD2-CB 4.32Å; H351-A355 PolarHBondContact O-N 3.43Å; T352-A355 WeakPolarHBondContact O-CB 3.37Å; T352-A355 PolarHBondContact O-N 3.37Å; T352-A355 VanDerWaalsContact O-N 3.11Å; C353-A355 VanDerWaalsContact C-N 3.28Å; C353-A355 PolarHBondContact O-N 3.38Å; A355-M357 VanDerWaalsContact C-N 3.35Å; A355-R358 PolarHBondContact O-N 2.99Å; A355-A359 PolarHBondContact O-N 2.97Å
356	L	95.5	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-39.1	174.1	-66.6	-179.4	0	0	0	112.5	L281 L282 I285 T352 C353 R358 A359 A360 L369 V374 L378 V396	L281-L356 HydrophobicContact CD2-CD2 4.45Å; L282-L356 HydrophobicContact CD2-CD1 4.14Å; L282-L356 HydrophobicContact CD2-CD2 3.96Å; I285-L356 HydrophobicContact CD1-CD1 3.35Å; I285-L356 HydrophobicContact CD1-CG 4.5Å; T352-L356 PolarHBondContact O-N 3.42Å; C353-L356 PolarHBondContact O-N 3.46Å; L356-R358 VanDerWaalsContact C-N 3.35Å; L356-R358 PolarHBondContact O-N 3.29Å; L356-A359 PolarHBondContact O-N 2.98Å; L356-A360 VanDerWaalsContact O-CB 3.29Å; L356-A360 WeakPolarHBondContact O-CB 3.41Å; L356-A360 PolarHBondContact O-N 3.09Å; L356-L369 HydrophobicContact CD2-CD2 3.86Å; L356-V374 HydrophobicContact CD1-CG1 3.79Å; L356-L378 HydrophobicContact CD1-CD2 4.19Å; L356-V396 HydrophobicContact CB-CG1 3.97Å; L356-V396 HydrophobicContact CB-CG2 4.34Å
357	M	95	Very high	93.1	Very high	46 Å²	46	43.4 Å²	43.4	23%	0.227	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-48.6	177.3	-168	177.6	57.1	0	0	110.6	C353 N354 A355 A359 A360 C361 Q395 V396 I399	C353-M357 WeakPolarHBondContact O-CB 3.37Å; C353-M357 PolarHBondContact O-N 2.97Å; N354-M357 PolarHBondContact O-N 3.42Å; A355-M357 VanDerWaalsContact C-N 3.35Å; M357-A359 PolarHBondContact O-N 3.4Å; M357-A360 PolarHBondContact O-N 2.6Å; M357-C361 PolarHBondContact O-N 2.96Å; M357-C361 PolarHBondContact O-SG 3.49Å; M357-C361 VanDerWaalsContact O-SG 3.34Å; M357-Q395 HydrophobicContact SD-CB 4.31Å; M357-V396 HydrophobicContact CB-CG2 3.99Å; M357-I399 HydrophobicContact CG-CD1 3.29Å; M357-I399 HydrophobicContact CG-CG1 4.43Å; M357-I399 HydrophobicContact SD-CD1 4.22Å
358	R	93.3	Very high	93.1	Very high	88 Å²	88	40.2 Å²	40.2	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-66.3	-36.7	178.1	-71.6	179	-179.9	-85.4	7.4	112.4	A260 N264 N354 A355 L356	A260-R358 WeakPolarHBondContact O-CD 3.38Å; N264-R358 HydrophobicContact CB-CB 4.42Å; N354-R358 WeakPolarHBondContact O-CG 3.49Å; N354-R358 PolarHBondContact O-N 3.44Å; N354-R358 VanDerWaalsContact O-N 3.14Å; A355-R358 PolarHBondContact O-N 2.99Å; L356-R358 VanDerWaalsContact C-N 3.35Å; L356-R358 PolarHBondContact O-N 3.29Å
359	A	93.7	Very high	93.2	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-45.4	172.7	0	0	0	0	0	111.6	L263 V269 A355 L356 M357 C361 T365 L369	L263-A359 HydrophobicContact CB-CB 4.21Å; L263-A359 HydrophobicContact CD1-CB 4.49Å; L263-A359 WeakPolarHBondContact O-CA 3.33Å; V269-A359 HydrophobicContact CG2-CB 3.87Å; A355-A359 PolarHBondContact O-N 2.97Å; L356-A359 PolarHBondContact O-N 2.98Å; M357-A359 PolarHBondContact O-N 3.4Å; A359-C361 PolarHBondContact O-N 3.38Å; A359-T365 VanDerWaalsContact O-CB 3.23Å; A359-T365 WeakPolarHBondContact O-CB 3.48Å; A359-T365 PolarHBondContact O-OG1 3.12Å; A359-L369 HydrophobicContact CB-CD1 4.28Å
360	A	94.2	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.3	-10	-172.6	0	0	0	0	0	115.3	L356 M357 K362 R366 L369 I399 L400	L356-A360 VanDerWaalsContact O-CB 3.29Å; L356-A360 WeakPolarHBondContact O-CB 3.41Å; L356-A360 PolarHBondContact O-N 3.09Å; M357-A360 PolarHBondContact O-N 2.6Å; A360-K362 PolarHBondContact O-N 3.15Å; A360-K362 VanDerWaalsContact O-N 3.12Å; A360-R366 HydrophobicContact CB-CG 4.36Å; A360-R366 VanDerWaalsContact O-CG 3.24Å; A360-R366 WeakPolarHBondContact O-CG 3.5Å; A360-R366 PolarHBondContact O-NH1 3.35Å; A360-L369 HydrophobicContact CB-CD1 3.91Å; A360-I399 HydrophobicContact CB-CB 4.39Å; A360-I399 HydrophobicContact CB-CG2 3.78Å; A360-I399 WeakPolarHBondContact O-CG2 3.4Å; A360-L400 HydrophobicContact CB-CD2 3.8Å; A360-L400 HydrophobicContact CB-CG 4.33Å
361	C	90.7	Very high	93.1	Very high	63 Å²	63	47.1 Å²	47.1	43%	0.426	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.2	178.3	-70.3	0	0	0	0	114.6	M357 A359	M357-C361 PolarHBondContact O-N 2.96Å; M357-C361 PolarHBondContact O-SG 3.49Å; M357-C361 VanDerWaalsContact O-SG 3.34Å; A359-C361 PolarHBondContact O-N 3.38Å
362	K	90.2	Very high	93	Very high	107 Å²	107	46.2 Å²	46.2	47%	0.465	22%	0.224	S	C	.	.	S	Bend	trans	-114.3	144.3	179	-58.2	-65.2	-174.4	-177.4	0	110.4	A360 E364 T365 R366	A360-K362 PolarHBondContact O-N 3.15Å; A360-K362 VanDerWaalsContact O-N 3.12Å; K362-E364 PolarHBondContact O-N 3.29Å; K362-T365 HydrophobicContact CB-CG2 4.41Å; K362-T365 WeakPolarHBondContact CB-OG1 3.39Å; K362-T365 PolarHBondContact O-N 3.02Å; K362-T365 PolarHBondContact O-OG1 3.04Å; K362-R366 WeakPolarHBondContact O-CG 3.42Å; K362-R366 PolarHBondContact O-N 2.99Å
363	E	90.5	Very high	92.9	Very high	125 Å²	125	48.3 Å²	48.3	58%	0.584	24%	0.236	S	C	*	.	H	α-helix	trans	-64.1	-41.8	-178.1	-168	-168.4	147.5	0	0	112.6	T365 R366 K367	E363-T365 VanDerWaalsContact C-N 3.32Å; E363-T365 PolarHBondContact O-N 2.81Å; E363-R366 PolarHBondContact O-N 3.28Å; E363-K367 IonicContact OE1-NZ 3.73Å
364	E	90.9	Very high	92.8	Very high	113 Å²	113	48.3 Å²	48.3	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-41.6	179.4	-66.2	-177.9	-169.2	0	0	112.4	T266 K270 K362 K367	T266-E364 HydrophobicContact CG2-CB 4.46Å; K270-E364 WeakPolarHBondContact CE-OE2 3.35Å; K270-E364 IonicContact NZ-OE2 2.67Å; K270-E364 PolarHBondContact NZ-OE2 3.37Å; K362-E364 PolarHBondContact O-N 3.29Å; E364-K367 PolarHBondContact O-N 3.1Å
365	T	91.1	Very high	92.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-75.8	-28.6	-178.3	50.6	0	0	0	0	112	T266 V269 A359 K362 E363 K367 I368 L369	T266-T365 HydrophobicContact CG2-CG2 3.97Å; V269-T365 HydrophobicContact CB-CG2 3.8Å; V269-T365 HydrophobicContact CG1-CG2 3.78Å; V269-T365 HydrophobicContact CG2-CG2 3.94Å; A359-T365 VanDerWaalsContact O-CB 3.23Å; A359-T365 WeakPolarHBondContact O-CB 3.48Å; A359-T365 PolarHBondContact O-OG1 3.12Å; K362-T365 HydrophobicContact CB-CG2 4.41Å; K362-T365 WeakPolarHBondContact CB-OG1 3.39Å; K362-T365 PolarHBondContact O-N 3.02Å; K362-T365 PolarHBondContact O-OG1 3.04Å; E363-T365 VanDerWaalsContact C-N 3.32Å; E363-T365 PolarHBondContact O-N 2.81Å; T365-K367 VanDerWaalsContact C-N 3.27Å; T365-K367 PolarHBondContact O-N 2.75Å; T365-I368 WeakPolarHBondContact O-CB 3.44Å; T365-I368 PolarHBondContact O-N 3.21Å; T365-L369 WeakPolarHBondContact O-CG 3.47Å; T365-L369 PolarHBondContact O-N 2.77Å
366	R	93.9	Very high	93	Very high	21 Å²	21	52.2 Å²	52.2	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-38	171.8	-72.5	-170	-71.3	-104.6	16.1	112.4	A360 K362 E363 L369 H370 L400 E402	A360-R366 HydrophobicContact CB-CG 4.36Å; A360-R366 VanDerWaalsContact O-CG 3.24Å; A360-R366 WeakPolarHBondContact O-CG 3.5Å; A360-R366 PolarHBondContact O-NH1 3.35Å; K362-R366 WeakPolarHBondContact O-CG 3.42Å; K362-R366 PolarHBondContact O-N 2.99Å; E363-R366 PolarHBondContact O-N 3.28Å; R366-L369 PolarHBondContact O-N 3.03Å; R366-H370 WeakPolarHBondContact O-CB 3.26Å; R366-H370 PolarHBondContact O-N 3.25Å; R366-L400 HydrophobicContact CG-CD2 4.09Å; R366-E402 IonicContact CZ-OE2 3.26Å; R366-E402 VanDerWaalsContact CZ-OE2 3.23Å; R366-E402 IonicContact NH1-OE2 2.82Å; R366-E402 PolarHBondContact NH1-OE2 3.28Å; R366-E402 IonicContact NH2-OE2 2.84Å; R366-E402 PolarHBondContact NH2-OE2 3.32Å; R366-E402 VanDerWaalsContact NH2-OE2 3.1Å
367	K	92.2	Very high	92.9	Very high	121 Å²	121	53.5 Å²	53.5	53%	0.526	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-44.7	175.2	-64.9	178.8	-176.7	170.4	0	111.5	E363 E364 T365 L369 H370 D371	E363-K367 IonicContact OE1-NZ 3.73Å; E364-K367 PolarHBondContact O-N 3.1Å; T365-K367 VanDerWaalsContact C-N 3.27Å; T365-K367 PolarHBondContact O-N 2.75Å; K367-L369 VanDerWaalsContact C-N 3.33Å; K367-L369 PolarHBondContact O-N 3.26Å; K367-H370 WeakPolarHBondContact O-CB 3.46Å; K367-H370 PolarHBondContact O-N 3.4Å; K367-D371 VanDerWaalsContact O-CG 3.27Å; K367-D371 PolarHBondContact O-N 3.41Å
368	I	91.5	Very high	92.9	Very high	33 Å²	33	51.3 Å²	51.3	17%	0.169	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-45.3	175	-66.6	174.6	0	0	0	111.5	V269 K270 V273 L278 T365 D371 A372	V269-I368 HydrophobicContact CG1-CD1 4.36Å; V269-I368 HydrophobicContact CG1-CG2 4.41Å; K270-I368 HydrophobicContact CG-CD1 4.13Å; V273-I368 HydrophobicContact CB-CG2 4.42Å; V273-I368 HydrophobicContact CG2-CD1 4.44Å; V273-I368 HydrophobicContact CG2-CG2 3.18Å; L278-I368 HydrophobicContact CD2-CG2 4.49Å; T365-I368 WeakPolarHBondContact O-CB 3.44Å; T365-I368 PolarHBondContact O-N 3.21Å; I368-D371 PolarHBondContact O-N 3.38Å; I368-A372 PolarHBondContact O-N 3.22Å
369	L	93.1	Very high	93.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-36.9	179.7	-64	177.7	0	0	0	111.8	L278 L356 A359 A360 T365 R366 K367 A372 D373 V374 L400	L278-L369 HydrophobicContact CD1-CD2 4.5Å; L356-L369 HydrophobicContact CD2-CD2 3.86Å; A359-L369 HydrophobicContact CB-CD1 4.28Å; A360-L369 HydrophobicContact CB-CD1 3.91Å; T365-L369 WeakPolarHBondContact O-CG 3.47Å; T365-L369 PolarHBondContact O-N 2.77Å; R366-L369 PolarHBondContact O-N 3.03Å; K367-L369 VanDerWaalsContact C-N 3.33Å; K367-L369 PolarHBondContact O-N 3.26Å; L369-A372 PolarHBondContact O-N 3.13Å; L369-D373 PolarHBondContact O-N 2.79Å; L369-V374 HydrophobicContact CB-CB 4.31Å; L369-V374 HydrophobicContact CB-CG2 4.14Å; L369-V374 HydrophobicContact CD2-CG2 4.15Å; L369-V374 WeakPolarHBondContact O-CB 3.2Å; L369-V374 VanDerWaalsContact O-CG2 3.26Å; L369-V374 WeakPolarHBondContact O-CG2 3.49Å; L369-V374 PolarHBondContact O-N 3.26Å; L369-L400 HydrophobicContact CB-CD2 4.44Å; L369-L400 HydrophobicContact CD1-CD2 4.08Å
370	H	94	Very high	93.1	Very high	56 Å²	56	51 Å²	51	26%	0.259	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-46.7	173.2	178.3	65.8	0	0	0	111.9	R366 K367 A372 D373 E375 V405	R366-H370 WeakPolarHBondContact O-CB 3.26Å; R366-H370 PolarHBondContact O-N 3.25Å; K367-H370 WeakPolarHBondContact O-CB 3.46Å; K367-H370 PolarHBondContact O-N 3.4Å; H370-A372 PolarHBondContact O-N 3.13Å; H370-A372 VanDerWaalsContact O-N 3.15Å; H370-D373 PolarHBondContact O-N 3Å; H370-E375 IonicContact CE1-OE1 3.74Å; H370-E375 IonicContact CG-OE1 3.12Å; H370-E375 IonicContact ND1-OE1 3.74Å; H370-E375 PolarHBondContact ND1-OE1 2.99Å; H370-E375 IonicContact ND1-OE2 3.62Å; H370-V405 VanDerWaalsContact CE1-CG1 3.5Å; H370-V405 WeakPolarHBondContact CE1-CG1 3.33Å; H370-V405 WeakPolarHBondContact NE2-CG1 3.15Å
371	D	92.1	Very high	93.1	Very high	135 Å²	135	51.3 Å²	51.3	72%	0.722	26%	0.256	S	S	*	.	H	α-helix	trans	-61.3	-24.7	177.6	-67.6	-19.8	0	0	0	112.2	K367 I368	K367-D371 VanDerWaalsContact O-CG 3.27Å; K367-D371 PolarHBondContact O-N 3.41Å; I368-D371 PolarHBondContact O-N 3.38Å
372	A	90.8	Very high	93.3	Very high	20 Å²	20	48.6 Å²	48.6	17%	0.165	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.2	174.4	0	0	0	0	0	114.4	L278 L282 I368 L369 H370 V374 M377	L278-A372 HydrophobicContact CD2-CB 3.65Å; L282-A372 HydrophobicContact CD1-CB 4.21Å; I368-A372 PolarHBondContact O-N 3.22Å; L369-A372 PolarHBondContact O-N 3.13Å; H370-A372 PolarHBondContact O-N 3.13Å; H370-A372 VanDerWaalsContact O-N 3.15Å; A372-V374 HydrophobicContact CB-CG2 4.05Å; A372-V374 PolarHBondContact O-N 2.68Å; A372-M377 WeakPolarHBondContact O-CE 3.29Å
373	D	93.3	Very high	93.5	Very high	45 Å²	45	47 Å²	47	24%	0.241	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	36.6	-178.2	-158.7	34.8	0	0	0	112.6	L369 H370 E375 R376 R409	L369-D373 PolarHBondContact O-N 2.79Å; H370-D373 PolarHBondContact O-N 3Å; D373-E375 PolarHBondContact O-N 2.98Å; D373-R376 WeakPolarHBondContact O-CB 3.41Å; D373-R376 PolarHBondContact O-N 3.45Å; D373-R376 IonicContact OD2-CZ 2.75Å; D373-R376 IonicContact OD2-NE 2.97Å; D373-R376 PolarHBondContact OD2-NE 3.18Å; D373-R376 IonicContact OD2-NH2 3.52Å; D373-R376 PolarHBondContact OD2-NH2 3.46Å; D373-R409 IonicContact OD1-CZ 2.72Å; D373-R409 IonicContact OD1-NE 2.61Å; D373-R409 PolarHBondContact OD1-NE 3.38Å; D373-R409 VanDerWaalsContact OD1-NE 3.16Å; D373-R409 IonicContact OD1-NH2 2.83Å; D373-R409 PolarHBondContact OD1-NH2 3.44Å; D373-R409 IonicContact OD2-NH2 2.7Å
374	V	94.5	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-32.3	-179.1	169.6	0	0	0	0	111.4	L282 L356 L369 A372 R376 M377 L378 L400	L282-V374 HydrophobicContact CD1-CG2 3.99Å; L282-V374 HydrophobicContact CD2-CG2 3.91Å; L356-V374 HydrophobicContact CD1-CG1 3.79Å; L369-V374 HydrophobicContact CB-CB 4.31Å; L369-V374 HydrophobicContact CB-CG2 4.14Å; L369-V374 HydrophobicContact CD2-CG2 4.15Å; L369-V374 WeakPolarHBondContact O-CB 3.2Å; L369-V374 VanDerWaalsContact O-CG2 3.26Å; L369-V374 WeakPolarHBondContact O-CG2 3.49Å; L369-V374 PolarHBondContact O-N 3.26Å; A372-V374 HydrophobicContact CB-CG2 4.05Å; A372-V374 PolarHBondContact O-N 2.68Å; V374-R376 VanDerWaalsContact C-N 3.3Å; V374-R376 PolarHBondContact O-N 3.47Å; V374-M377 WeakPolarHBondContact O-CB 3.24Å; V374-M377 PolarHBondContact O-N 3Å; V374-L378 HydrophobicContact CG1-CD1 3.72Å; V374-L378 HydrophobicContact CG1-CG 3.98Å; V374-L378 WeakPolarHBondContact O-CG 3.43Å; V374-L378 PolarHBondContact O-N 3.04Å; V374-L400 HydrophobicContact CG1-CD1 4.46Å
375	E	96	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-43.2	176.6	-62.1	93.9	143.9	0	0	111.9	H370 D373 M377 L378 V379 L400 C406 R409 I410 L413	H370-E375 IonicContact CE1-OE1 3.74Å; H370-E375 IonicContact CG-OE1 3.12Å; H370-E375 IonicContact ND1-OE1 3.74Å; H370-E375 PolarHBondContact ND1-OE1 2.99Å; H370-E375 IonicContact ND1-OE2 3.62Å; D373-E375 PolarHBondContact O-N 2.98Å; E375-M377 VanDerWaalsContact C-N 3.3Å; E375-M377 PolarHBondContact O-N 3.18Å; E375-L378 PolarHBondContact O-N 3Å; E375-V379 WeakPolarHBondContact O-CB 3.47Å; E375-V379 VanDerWaalsContact O-CG2 3.25Å; E375-V379 WeakPolarHBondContact O-CG2 3.42Å; E375-V379 PolarHBondContact O-N 3.49Å; E375-L400 HydrophobicContact CG-CD1 4.47Å; E375-C406 HydrophobicContact CG-CB 4.39Å; E375-C406 PolarHBondContact OE1-SG 3.5Å; E375-R409 HydrophobicContact CB-CG 3.87Å; E375-R409 HydrophobicContact CG-CB 4.42Å; E375-R409 HydrophobicContact CG-CG 4.12Å; E375-I410 HydrophobicContact CB-CG1 3.78Å; E375-I410 HydrophobicContact CG-CD1 4.08Å; E375-I410 HydrophobicContact CG-CG1 3.76Å; E375-L413 HydrophobicContact CB-CD1 4.01Å
376	R	95.6	Very high	93.7	Very high	119 Å²	119	47.5 Å²	47.5	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-42.9	176.2	-177.5	-172.5	-57.8	-76.6	-1.6	111.5	D373 V374 S380 L413	D373-R376 WeakPolarHBondContact O-CB 3.41Å; D373-R376 PolarHBondContact O-N 3.45Å; D373-R376 IonicContact OD2-CZ 2.75Å; D373-R376 IonicContact OD2-NE 2.97Å; D373-R376 PolarHBondContact OD2-NE 3.18Å; D373-R376 IonicContact OD2-NH2 3.52Å; D373-R376 PolarHBondContact OD2-NH2 3.46Å; V374-R376 VanDerWaalsContact C-N 3.3Å; V374-R376 PolarHBondContact O-N 3.47Å; R376-S380 PolarHBondContact O-N 2.93Å; R376-S380 VanDerWaalsContact O-N 3.08Å; R376-L413 VanDerWaalsContact CA-CD1 3.49Å; R376-L413 HydrophobicContact CB-CD1 4.01Å; R376-L413 HydrophobicContact CB-CD2 4.19Å; R376-L413 HydrophobicContact CG-CD2 4.13Å
377	M	94.1	Very high	93.7	Very high	27 Å²	27	50 Å²	50	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-44.8	-178	-51.5	-174.3	-167.2	0	0	110.5	L282 I285 T286 A372 V374 E375 S380 L381	L282-M377 HydrophobicContact CB-CE 4.46Å; L282-M377 HydrophobicContact CB-SD 3.89Å; L282-M377 HydrophobicContact CD1-CE 3.85Å; L282-M377 HydrophobicContact CD1-SD 3.95Å; L282-M377 HydrophobicContact CD2-SD 4.09Å; L282-M377 HydrophobicContact CG-SD 4.18Å; I285-M377 HydrophobicContact CB-CB 4.48Å; I285-M377 HydrophobicContact CG2-CB 3.58Å; T286-M377 HydrophobicContact CG2-CB 4.2Å; T286-M377 HydrophobicContact CG2-CE 4.28Å; T286-M377 HydrophobicContact CG2-CG 3.69Å; T286-M377 HydrophobicContact CG2-SD 3.49Å; T286-M377 WeakPolarHBondContact CG2-SD 3.48Å; A372-M377 WeakPolarHBondContact O-CE 3.29Å; V374-M377 WeakPolarHBondContact O-CB 3.24Å; V374-M377 PolarHBondContact O-N 3Å; E375-M377 VanDerWaalsContact C-N 3.3Å; E375-M377 PolarHBondContact O-N 3.18Å; M377-S380 WeakPolarHBondContact O-CB 3.48Å; M377-S380 PolarHBondContact O-N 3.28Å; M377-L381 PolarHBondContact O-N 2.77Å
378	L	96.2	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-44.8	177.2	-66.1	172.4	0	0	0	112.3	I285 L356 V374 E375 S380 L381 L382 S393 V396 I397 L400	I285-L378 HydrophobicContact CD1-CD2 4.45Å; L356-L378 HydrophobicContact CD1-CD2 4.19Å; V374-L378 HydrophobicContact CG1-CD1 3.72Å; V374-L378 HydrophobicContact CG1-CG 3.98Å; V374-L378 WeakPolarHBondContact O-CG 3.43Å; V374-L378 PolarHBondContact O-N 3.04Å; E375-L378 PolarHBondContact O-N 3Å; L378-S380 PolarHBondContact O-N 3.14Å; L378-L381 WeakPolarHBondContact O-CA 3.41Å; L378-L381 WeakPolarHBondContact O-CB 3.17Å; L378-L381 PolarHBondContact O-N 3.47Å; L378-L382 PolarHBondContact O-N 2.97Å; L378-S393 VanDerWaalsContact C-OG 3.31Å; L378-S393 WeakPolarHBondContact CA-OG 3.24Å; L378-S393 WeakPolarHBondContact CB-OG 3.42Å; L378-S393 PolarHBondContact O-OG 2.78Å; L378-V396 HydrophobicContact CD1-CB 3.89Å; L378-V396 HydrophobicContact CD1-CG1 3.43Å; L378-V396 VanDerWaalsContact CD1-CG1 3.43Å; L378-V396 HydrophobicContact CD2-CB 4.08Å; L378-V396 HydrophobicContact CD2-CG1 4.19Å; L378-V396 HydrophobicContact CD2-CG2 4.41Å; L378-V396 HydrophobicContact CG-CG1 4.47Å; L378-I397 HydrophobicContact CB-CD1 4.08Å; L378-I397 HydrophobicContact CB-CG1 3.98Å; L378-I397 HydrophobicContact CD1-CG1 4.2Å; L378-L400 HydrophobicContact CD1-CD1 3.47Å; L378-L400 VanDerWaalsContact CD1-CD1 3.47Å
379	V	96.3	Very high	93.9	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-37.3	176.8	171.8	0	0	0	0	111	E375 L381 L382 I397 I410 L413 L418	E375-V379 WeakPolarHBondContact O-CB 3.47Å; E375-V379 VanDerWaalsContact O-CG2 3.25Å; E375-V379 WeakPolarHBondContact O-CG2 3.42Å; E375-V379 PolarHBondContact O-N 3.49Å; V379-L381 PolarHBondContact O-N 3.37Å; V379-L382 WeakPolarHBondContact O-CB 3.45Å; V379-L382 PolarHBondContact O-N 3.39Å; V379-I397 HydrophobicContact CG2-CD1 4.3Å; V379-I410 HydrophobicContact CG2-CG2 4.01Å; V379-L413 HydrophobicContact CB-CB 4.25Å; V379-L413 HydrophobicContact CG1-CB 4Å; V379-L413 HydrophobicContact CG2-CB 4.1Å; V379-L413 HydrophobicContact CG2-CD1 4.3Å; V379-L418 HydrophobicContact CG1-CD1 4.08Å; V379-L418 WeakPolarHBondContact O-CD1 3.4Å
380	S	94.3	Very high	94	Very high	74 Å²	74	46.3 Å²	46.3	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-42.9	172.4	-175.6	0	0	0	0	112.2	R376 M377 L378 L382 S383	R376-S380 PolarHBondContact O-N 2.93Å; R376-S380 VanDerWaalsContact O-N 3.08Å; M377-S380 WeakPolarHBondContact O-CB 3.48Å; M377-S380 PolarHBondContact O-N 3.28Å; L378-S380 PolarHBondContact O-N 3.14Å; S380-L382 PolarHBondContact O-N 3.37Å; S380-S383 PolarHBondContact O-N 2.76Å; S380-S383 PolarHBondContact O-OG 3.48Å
381	L	94.3	Very high	94.1	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-21.3	178.2	-70.5	-173.8	0	0	0	114.1	I285 K349 M377 L378 V379 S383 H384 V389 R390	I285-L381 HydrophobicContact CB-CD1 4.31Å; I285-L381 HydrophobicContact CG1-CD1 4.09Å; I285-L381 HydrophobicContact CG2-CD1 3.58Å; I285-L381 HydrophobicContact CG2-CD2 4.12Å; I285-L381 HydrophobicContact CG2-CG 3.68Å; K349-L381 HydrophobicContact CD-CD2 4.12Å; M377-L381 PolarHBondContact O-N 2.77Å; L378-L381 WeakPolarHBondContact O-CA 3.41Å; L378-L381 WeakPolarHBondContact O-CB 3.17Å; L378-L381 PolarHBondContact O-N 3.47Å; V379-L381 PolarHBondContact O-N 3.37Å; L381-S383 PolarHBondContact O-N 3.49Å; L381-S383 VanDerWaalsContact O-N 3.1Å; L381-H384 WeakPolarHBondContact O-CB 3.41Å; L381-H384 PolarHBondContact O-N 2.94Å; L381-V389 HydrophobicContact CB-CG1 4.28Å; L381-V389 HydrophobicContact CD1-CG1 4.18Å; L381-V389 HydrophobicContact CD2-CG1 3.9Å; L381-V389 HydrophobicContact CG-CG1 4.35Å; L381-R390 WeakPolarHBondContact O-CG 3.35Å
382	L	95.5	Very high	94.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.5	175.7	-61.2	-180	0	0	0	113.2	L378 V379 S380 R390 A394 I397 L418 L419 M422	L378-L382 PolarHBondContact O-N 2.97Å; V379-L382 WeakPolarHBondContact O-CB 3.45Å; V379-L382 PolarHBondContact O-N 3.39Å; S380-L382 PolarHBondContact O-N 3.37Å; L382-R390 WeakPolarHBondContact O-CD 3.5Å; L382-R390 WeakPolarHBondContact O-CG 3.36Å; L382-A394 HydrophobicContact CD2-CB 3.87Å; L382-I397 HydrophobicContact CD1-CD1 3.67Å; L382-I397 HydrophobicContact CD2-CD1 4.05Å; L382-I397 HydrophobicContact CG-CD1 4.01Å; L382-L418 HydrophobicContact CB-CB 3.85Å; L382-L418 HydrophobicContact CB-CD1 3.87Å; L382-L418 HydrophobicContact CB-CG 4.47Å; L382-L418 HydrophobicContact CD1-CB 3.94Å; L382-L418 HydrophobicContact CD1-CD1 4.37Å; L382-L419 HydrophobicContact CD1-CD2 3.79Å; L382-L419 HydrophobicContact CD1-CG 3.93Å; L382-L419 HydrophobicContact CD2-CD2 3.93Å; L382-M422 HydrophobicContact CD2-SD 3.78Å
383	S	93.1	Very high	94.6	Very high	74 Å²	74	36.8 Å²	36.8	52%	0.517	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	9.1	175.4	67.9	0	0	0	0	114.2	S380 L381	S380-S383 PolarHBondContact O-N 2.76Å; S380-S383 PolarHBondContact O-OG 3.48Å; L381-S383 PolarHBondContact O-N 3.49Å; L381-S383 VanDerWaalsContact O-N 3.1Å
384	H	92.8	Very high	94.9	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.139	18%	0.182	C	C	.	.			trans	-65.8	150.8	179.6	-165.4	-88.4	0	0	0	111.8	L381 D386 V389 R390	L381-H384 WeakPolarHBondContact O-CB 3.41Å; L381-H384 PolarHBondContact O-N 2.94Å; H384-D386 WeakPolarHBondContact ND1-CB 3.31Å; H384-D386 PolarHBondContact ND1-N 3.4Å; H384-V389 HydrophobicContact CB-CB 4.33Å; H384-V389 HydrophobicContact CB-CG1 3.89Å; H384-R390 HydrophobicContact CB-CG 4.2Å; H384-R390 WeakPolarHBondContact O-CD 3.29Å; H384-R390 WeakPolarHBondContact O-CG 3.45Å; H384-R390 PolarHBondContact O-NE 3.43Å
385	E	91.4	Very high	95	Very high	163 Å²	163	38.5 Å²	38.5	76%	0.762	20%	0.2	S	C	*	.	S	Bend	trans	-62.8	-46.7	179.6	59.3	-173.1	-179.8	0	0	111.7	R390	E385-R390 PolarHBondContact O-NH2 2.9Å
386	D	92.5	Very high	95	Very high	56 Å²	56	38.5 Å²	38.5	30%	0.299	20%	0.2	S	C	.	.			trans	-66.8	130.5	177.8	-172.6	-92.4	0	0	0	112.8	P346 H384 G388 V389 R390	P346-D386 HydrophobicContact CB-CB 4.24Å; H384-D386 WeakPolarHBondContact ND1-CB 3.31Å; H384-D386 PolarHBondContact ND1-N 3.4Å; D386-G388 VanDerWaalsContact OD1-CA 3.24Å; D386-G388 WeakPolarHBondContact OD1-CA 3.17Å; D386-G388 PolarHBondContact OD1-N 3.13Å; D386-V389 HydrophobicContact CB-CB 4.17Å; D386-V389 HydrophobicContact CB-CG2 3.87Å; D386-V389 WeakPolarHBondContact OD1-CG2 3.15Å; D386-V389 PolarHBondContact OD1-N 3.48Å; D386-R390 PolarHBondContact O-N 2.95Å; D386-R390 PolarHBondContact O-NE 3.25Å
387	E	93.1	Very high	95.1	Very high	75 Å²	75	32.9 Å²	32.9	35%	0.35	18%	0.179	S	C	.	.	H	α-helix	trans	-74.2	-31.8	-179.2	-69	-179.5	172.7	0	0	112.9	R390 S391 H427 L430	E387-R390 PolarHBondContact O-N 2.93Å; E387-R390 IonicContact OE1-NH2 3.93Å; E387-S391 WeakPolarHBondContact O-CB 3.46Å; E387-S391 PolarHBondContact O-N 3.42Å; E387-S391 PolarHBondContact O-OG 3.17Å; E387-H427 WeakPolarHBondContact OE2-CB 3.43Å; E387-H427 IonicContact OE2-CD2 3.53Å; E387-H427 PolarHBondContact OE2-CD2 2.66Å; E387-H427 IonicContact OE2-CG 2.71Å; E387-H427 IonicContact OE2-ND1 2.95Å; E387-H427 IonicContact OE2-NE2 2.71Å; E387-L430 HydrophobicContact CG-CD2 4.29Å
388	G	94.2	Very high	95.3	Very high	25 Å²	25	32.2 Å²	32.2	26%	0.258	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-43.7	176.1	0	0	0	0	0	111.5	D386 S391 A392	D386-G388 VanDerWaalsContact OD1-CA 3.24Å; D386-G388 WeakPolarHBondContact OD1-CA 3.17Å; D386-G388 PolarHBondContact OD1-N 3.13Å; G388-S391 PolarHBondContact O-N 2.74Å; G388-A392 WeakPolarHBondContact O-CB 3.41Å; G388-A392 PolarHBondContact O-N 3.07Å
389	V	94.7	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-46.6	174.7	175.9	0	0	0	0	111.2	P346 K349 I350 L381 H384 D386 A392 S393	P346-V389 HydrophobicContact CB-CG2 3.91Å; K349-V389 HydrophobicContact CB-CG1 4.1Å; K349-V389 HydrophobicContact CB-CG2 3.93Å; K349-V389 HydrophobicContact CD-CG1 4.01Å; K349-V389 HydrophobicContact CD-CG2 4.25Å; I350-V389 HydrophobicContact CD1-CG2 4.41Å; I350-V389 HydrophobicContact CG1-CG2 4.03Å; L381-V389 HydrophobicContact CB-CG1 4.28Å; L381-V389 HydrophobicContact CD1-CG1 4.18Å; L381-V389 HydrophobicContact CD2-CG1 3.9Å; L381-V389 HydrophobicContact CG-CG1 4.35Å; H384-V389 HydrophobicContact CB-CB 4.33Å; H384-V389 HydrophobicContact CB-CG1 3.89Å; D386-V389 HydrophobicContact CB-CB 4.17Å; D386-V389 HydrophobicContact CB-CG2 3.87Å; D386-V389 WeakPolarHBondContact OD1-CG2 3.15Å; D386-V389 PolarHBondContact OD1-N 3.48Å; V389-A392 PolarHBondContact O-N 3.39Å; V389-S393 WeakPolarHBondContact O-CB 3.16Å; V389-S393 PolarHBondContact O-N 3.41Å
390	R	95.9	Very high	95.3	Very high	53 Å²	53	33.4 Å²	33.4	20%	0.2	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-45.2	176.6	-74.9	-175.4	-83.4	166	-10.6	111.7	L381 L382 H384 E385 D386 E387 S393 A394 M422 L430	L381-R390 WeakPolarHBondContact O-CG 3.35Å; L382-R390 WeakPolarHBondContact O-CD 3.5Å; L382-R390 WeakPolarHBondContact O-CG 3.36Å; H384-R390 HydrophobicContact CB-CG 4.2Å; H384-R390 WeakPolarHBondContact O-CD 3.29Å; H384-R390 WeakPolarHBondContact O-CG 3.45Å; H384-R390 PolarHBondContact O-NE 3.43Å; E385-R390 PolarHBondContact O-NH2 2.9Å; D386-R390 PolarHBondContact O-N 2.95Å; D386-R390 PolarHBondContact O-NE 3.25Å; E387-R390 PolarHBondContact O-N 2.93Å; E387-R390 IonicContact OE1-NH2 3.93Å; R390-S393 PolarHBondContact O-N 3.1Å; R390-A394 PolarHBondContact O-N 3.18Å; R390-M422 HydrophobicContact CB-CE 4.47Å; R390-L430 HydrophobicContact CB-CD1 3.52Å
391	S	96.1	Very high	95.5	Very high	5 Å²	5	30 Å²	30	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-47	179.1	-58.1	0	0	0	0	111.6	E387 G388 S393 A394 Q395 L430	E387-S391 WeakPolarHBondContact O-CB 3.46Å; E387-S391 PolarHBondContact O-N 3.42Å; E387-S391 PolarHBondContact O-OG 3.17Å; G388-S391 PolarHBondContact O-N 2.74Å; S391-S393 PolarHBondContact O-N 2.9Å; S391-A394 PolarHBondContact O-N 3.46Å; S391-Q395 WeakPolarHBondContact O-CG 3.23Å; S391-Q395 PolarHBondContact O-N 3.46Å; S391-L430 WeakPolarHBondContact OG-CA 3.45Å; S391-L430 WeakPolarHBondContact OG-CD1 3.39Å
392	A	96.4	Very high	95.5	Very high	6 Å²	6	35.9 Å²	35.9	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-42.1	177.6	0	0	0	0	0	111.8	I350 C353 G388 V389 Q395 V396	I350-A392 HydrophobicContact CG1-CB 4.33Å; I350-A392 HydrophobicContact CG2-CB 4.28Å; C353-A392 HydrophobicContact CB-CB 3.7Å; G388-A392 WeakPolarHBondContact O-CB 3.41Å; G388-A392 PolarHBondContact O-N 3.07Å; V389-A392 PolarHBondContact O-N 3.39Å; A392-Q395 PolarHBondContact O-N 2.86Å; A392-V396 WeakPolarHBondContact O-CG2 3.38Å; A392-V396 PolarHBondContact O-N 3.28Å
393	S	97.3	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-46.9	175.7	-178.8	0	0	0	0	112.4	L378 V389 R390 S391 Q395 V396 I397	L378-S393 VanDerWaalsContact C-OG 3.31Å; L378-S393 WeakPolarHBondContact CA-OG 3.24Å; L378-S393 WeakPolarHBondContact CB-OG 3.42Å; L378-S393 PolarHBondContact O-OG 2.78Å; V389-S393 WeakPolarHBondContact O-CB 3.16Å; V389-S393 PolarHBondContact O-N 3.41Å; R390-S393 PolarHBondContact O-N 3.1Å; S391-S393 PolarHBondContact O-N 2.9Å; S393-Q395 VanDerWaalsContact C-N 3.3Å; S393-Q395 PolarHBondContact O-N 3.22Å; S393-V396 PolarHBondContact O-N 3.45Å; S393-I397 PolarHBondContact O-N 3Å
394	A	97.8	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-35.3	178.6	0	0	0	0	0	112.7	L382 R390 S391 I397 A398 L419 M422 A433 A437	L382-A394 HydrophobicContact CD2-CB 3.87Å; R390-A394 PolarHBondContact O-N 3.18Å; S391-A394 PolarHBondContact O-N 3.46Å; A394-I397 WeakPolarHBondContact O-CB 2.95Å; A394-I397 PolarHBondContact O-N 3.31Å; A394-A398 PolarHBondContact O-N 3.21Å; A394-L419 HydrophobicContact CB-CD2 3.79Å; A394-M422 HydrophobicContact CB-CE 3.4Å; A394-M422 VanDerWaalsContact CB-CE 3.4Å; A394-M422 HydrophobicContact CB-SD 4.15Å; A394-A433 HydrophobicContact CB-CB 3.88Å; A394-A437 HydrophobicContact CB-CB 4.36Å; A394-A437 WeakPolarHBondContact O-CB 3.48Å
395	Q	97	Very high	95.7	Very high	81 Å²	81	38.8 Å²	38.8	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-64.2	-41.6	174.1	-72	176.9	10.3	0	0	112.3	M357 S391 A392 S393 I397 A398 I399 A433	M357-Q395 HydrophobicContact SD-CB 4.31Å; S391-Q395 WeakPolarHBondContact O-CG 3.23Å; S391-Q395 PolarHBondContact O-N 3.46Å; A392-Q395 PolarHBondContact O-N 2.86Å; S393-Q395 VanDerWaalsContact C-N 3.3Å; S393-Q395 PolarHBondContact O-N 3.22Å; Q395-I397 VanDerWaalsContact C-N 3.34Å; Q395-A398 WeakPolarHBondContact O-CB 3.42Å; Q395-A398 PolarHBondContact O-N 3.2Å; Q395-I399 PolarHBondContact O-N 3.38Å; Q395-A433 HydrophobicContact CG-CB 4.16Å
396	V	97.2	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-43.2	174.4	-176.1	0	0	0	0	110.5	C353 L356 M357 L378 A392 S393 A398 I399 L400	C353-V396 HydrophobicContact CB-CG2 3.94Å; C353-V396 WeakPolarHBondContact O-CG2 3.34Å; L356-V396 HydrophobicContact CB-CG1 3.97Å; L356-V396 HydrophobicContact CB-CG2 4.34Å; M357-V396 HydrophobicContact CB-CG2 3.99Å; L378-V396 HydrophobicContact CD1-CB 3.89Å; L378-V396 HydrophobicContact CD1-CG1 3.43Å; L378-V396 VanDerWaalsContact CD1-CG1 3.43Å; L378-V396 HydrophobicContact CD2-CB 4.08Å; L378-V396 HydrophobicContact CD2-CG1 4.19Å; L378-V396 HydrophobicContact CD2-CG2 4.41Å; L378-V396 HydrophobicContact CG-CG1 4.47Å; A392-V396 WeakPolarHBondContact O-CG2 3.38Å; A392-V396 PolarHBondContact O-N 3.28Å; S393-V396 PolarHBondContact O-N 3.45Å; V396-A398 VanDerWaalsContact C-N 3.28Å; V396-A398 PolarHBondContact O-N 3.09Å; V396-I399 PolarHBondContact O-N 3.34Å; V396-I399 VanDerWaalsContact O-N 3.16Å; V396-L400 HydrophobicContact CG1-CD1 4.07Å; V396-L400 HydrophobicContact CG1-CG 4.26Å; V396-L400 WeakPolarHBondContact O-CG 3.46Å; V396-L400 PolarHBondContact O-N 3.22Å
397	I	97.9	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.1	-41.5	175.7	-75.6	173	0	0	0	111.4	L378 V379 L382 S393 A394 Q395 I399 L400 S401 I410 L419 A437 L441	L378-I397 HydrophobicContact CB-CD1 4.08Å; L378-I397 HydrophobicContact CB-CG1 3.98Å; L378-I397 HydrophobicContact CD1-CG1 4.2Å; V379-I397 HydrophobicContact CG2-CD1 4.3Å; L382-I397 HydrophobicContact CD1-CD1 3.67Å; L382-I397 HydrophobicContact CD2-CD1 4.05Å; L382-I397 HydrophobicContact CG-CD1 4.01Å; S393-I397 PolarHBondContact O-N 3Å; A394-I397 WeakPolarHBondContact O-CB 2.95Å; A394-I397 PolarHBondContact O-N 3.31Å; Q395-I397 VanDerWaalsContact C-N 3.34Å; I397-I399 VanDerWaalsContact C-N 3.3Å; I397-I399 PolarHBondContact O-N 2.97Å; I397-L400 PolarHBondContact O-N 3.11Å; I397-S401 WeakPolarHBondContact O-CB 3.5Å; I397-S401 PolarHBondContact O-N 2.96Å; I397-S401 PolarHBondContact O-OG 3.46Å; I397-I410 HydrophobicContact CB-CD1 4.46Å; I397-I410 HydrophobicContact CG1-CD1 4.25Å; I397-I410 HydrophobicContact CG2-CD1 3.98Å; I397-I410 HydrophobicContact CG2-CG2 4.27Å; I397-L419 HydrophobicContact CG2-CD1 4.23Å; I397-A437 HydrophobicContact CG2-CB 4.11Å; I397-L441 HydrophobicContact CG2-CD1 4.27Å; I397-L441 HydrophobicContact CG2-CG 4.46Å
398	A	97.5	Very high	96.4	Very high	13 Å²	13	28.6 Å²	28.6	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-41.2	178.1	0	0	0	0	0	112.3	A394 Q395 V396 T436 A437 A440	A394-A398 PolarHBondContact O-N 3.21Å; Q395-A398 WeakPolarHBondContact O-CB 3.42Å; Q395-A398 PolarHBondContact O-N 3.2Å; V396-A398 VanDerWaalsContact C-N 3.28Å; V396-A398 PolarHBondContact O-N 3.09Å; A398-T436 HydrophobicContact CB-CG2 4.1Å; A398-A437 HydrophobicContact CB-CB 4.3Å; A398-A440 HydrophobicContact CB-CB 4.28Å; A398-A440 VanDerWaalsContact O-CB 3.29Å; A398-A440 WeakPolarHBondContact O-CB 3.49Å
399	I	96.5	Very high	96.5	Very high	34 Å²	34	30.1 Å²	30.1	17%	0.174	16%	0.159	C	C	.	.	H	α-helix	trans	-73.5	-42.6	177.9	-57.7	-173.3	0	0	0	111.5	M357 A360 Q395 V396 I397 S401 E402	M357-I399 HydrophobicContact CG-CD1 3.29Å; M357-I399 HydrophobicContact CG-CG1 4.43Å; M357-I399 HydrophobicContact SD-CD1 4.22Å; A360-I399 HydrophobicContact CB-CB 4.39Å; A360-I399 HydrophobicContact CB-CG2 3.78Å; A360-I399 WeakPolarHBondContact O-CG2 3.4Å; Q395-I399 PolarHBondContact O-N 3.38Å; V396-I399 PolarHBondContact O-N 3.34Å; V396-I399 VanDerWaalsContact O-N 3.16Å; I397-I399 VanDerWaalsContact C-N 3.3Å; I397-I399 PolarHBondContact O-N 2.97Å; I399-S401 PolarHBondContact O-N 3.42Å; I399-E402 WeakPolarHBondContact O-CB 3.4Å; I399-E402 WeakPolarHBondContact O-CG 3.37Å; I399-E402 PolarHBondContact O-N 2.88Å
400	L	96.8	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-32.1	176.6	-72.2	177.7	0	0	0	111.9	A360 R366 L369 V374 E375 L378 V396 I397 E402 S403 C406	A360-L400 HydrophobicContact CB-CD2 3.8Å; A360-L400 HydrophobicContact CB-CG 4.33Å; R366-L400 HydrophobicContact CG-CD2 4.09Å; L369-L400 HydrophobicContact CB-CD2 4.44Å; L369-L400 HydrophobicContact CD1-CD2 4.08Å; V374-L400 HydrophobicContact CG1-CD1 4.46Å; E375-L400 HydrophobicContact CG-CD1 4.47Å; L378-L400 HydrophobicContact CD1-CD1 3.47Å; L378-L400 VanDerWaalsContact CD1-CD1 3.47Å; V396-L400 HydrophobicContact CG1-CD1 4.07Å; V396-L400 HydrophobicContact CG1-CG 4.26Å; V396-L400 WeakPolarHBondContact O-CG 3.46Å; V396-L400 PolarHBondContact O-N 3.22Å; I397-L400 PolarHBondContact O-N 3.11Å; L400-E402 PolarHBondContact O-N 3.14Å; L400-E402 VanDerWaalsContact O-N 3.09Å; L400-S403 WeakPolarHBondContact O-CB 3.46Å; L400-S403 PolarHBondContact O-N 3.22Å; L400-C406 HydrophobicContact CB-CB 4.22Å; L400-C406 VanDerWaalsContact O-CB 3.31Å; L400-C406 WeakPolarHBondContact O-CB 3.39Å
401	S	96.5	Very high	96.7	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.021	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-3.1	180	-59.4	0	0	0	0	114.5	I397 I399 S403 Q407 L441	I397-S401 WeakPolarHBondContact O-CB 3.5Å; I397-S401 PolarHBondContact O-N 2.96Å; I397-S401 PolarHBondContact O-OG 3.46Å; I399-S401 PolarHBondContact O-N 3.42Å; S401-S403 PolarHBondContact O-N 2.53Å; S401-Q407 VanDerWaalsContact O-CD 3.29Å; S401-Q407 WeakPolarHBondContact O-CG 3.38Å; S401-Q407 PolarHBondContact O-NE2 2.93Å; S401-L441 WeakPolarHBondContact OG-CD2 3.34Å; S401-L441 WeakPolarHBondContact OG-CG 3.19Å
402	E	94.8	Very high	96.7	Very high	129 Å²	129	34.9 Å²	34.9	60%	0.603	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.8	163.8	-68.6	-179.2	-173.9	0	0	112.5	R366 I399 L400	R366-E402 IonicContact CZ-OE2 3.26Å; R366-E402 VanDerWaalsContact CZ-OE2 3.23Å; R366-E402 IonicContact NH1-OE2 2.82Å; R366-E402 PolarHBondContact NH1-OE2 3.28Å; R366-E402 IonicContact NH2-OE2 2.84Å; R366-E402 PolarHBondContact NH2-OE2 3.32Å; R366-E402 VanDerWaalsContact NH2-OE2 3.1Å; I399-E402 WeakPolarHBondContact O-CB 3.4Å; I399-E402 WeakPolarHBondContact O-CG 3.37Å; I399-E402 PolarHBondContact O-N 2.88Å; L400-E402 PolarHBondContact O-N 3.14Å; L400-E402 VanDerWaalsContact O-N 3.09Å
403	S	95.2	Very high	96.7	Very high	30 Å²	30	36.5 Å²	36.5	21%	0.21	19%	0.193	C	C	.	.	S	Bend	trans	-96.8	122.3	172.7	175.8	0	0	0	0	110.1	L400 S401 V405 C406 Q407	L400-S403 WeakPolarHBondContact O-CB 3.46Å; L400-S403 PolarHBondContact O-N 3.22Å; S401-S403 PolarHBondContact O-N 2.53Å; S403-V405 PolarHBondContact O-N 2.95Å; S403-C406 PolarHBondContact O-N 2.65Å; S403-C406 VanDerWaalsContact O-N 3.1Å; S403-Q407 WeakPolarHBondContact O-CG 3.38Å; S403-Q407 PolarHBondContact O-N 2.83Å
404	S	95.3	Very high	96.6	Very high	70 Å²	70	37.7 Å²	37.7	49%	0.49	21%	0.205	S	C	.	.	H	α-helix	trans	-59.3	-34.4	177.6	63.3	0	0	0	0	112.7	C406 Q407 D408	S404-C406 VanDerWaalsContact C-N 3.34Å; S404-C406 PolarHBondContact O-N 3.29Å; S404-Q407 WeakPolarHBondContact O-CB 3.33Å; S404-Q407 PolarHBondContact O-N 3.17Å; S404-D408 PolarHBondContact O-N 3.33Å
405	V	96.2	Very high	96.5	Very high	72 Å²	72	37.7 Å²	37.7	44%	0.436	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-41.6	177.4	-176.6	0	0	0	0	111.1	H370 S403 R409	H370-V405 VanDerWaalsContact CE1-CG1 3.5Å; H370-V405 WeakPolarHBondContact CE1-CG1 3.33Å; H370-V405 WeakPolarHBondContact NE2-CG1 3.15Å; S403-V405 PolarHBondContact O-N 2.95Å; V405-R409 WeakPolarHBondContact O-CB 3.44Å; V405-R409 PolarHBondContact O-N 3.16Å; V405-R409 VanDerWaalsContact O-N 3.07Å
406	C	96.5	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.8	-38	176	-62.8	0	0	0	0	111.1	E375 L400 S403 S404 R409 I410	E375-C406 HydrophobicContact CG-CB 4.39Å; E375-C406 PolarHBondContact OE1-SG 3.5Å; L400-C406 HydrophobicContact CB-CB 4.22Å; L400-C406 VanDerWaalsContact O-CB 3.31Å; L400-C406 WeakPolarHBondContact O-CB 3.39Å; S403-C406 PolarHBondContact O-N 2.65Å; S403-C406 VanDerWaalsContact O-N 3.1Å; S404-C406 VanDerWaalsContact C-N 3.34Å; S404-C406 PolarHBondContact O-N 3.29Å; C406-R409 PolarHBondContact O-N 2.9Å; C406-I410 WeakPolarHBondContact O-CB 3.31Å; C406-I410 WeakPolarHBondContact O-CD1 3.45Å; C406-I410 WeakPolarHBondContact O-CG1 3.12Å; C406-I410 PolarHBondContact O-N 3.3Å
407	Q	97.5	Very high	96.4	Very high	11 Å²	11	36 Å²	36	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-52.9	174.6	-67.4	176.8	-31.8	0	0	111.1	S401 S403 S404 R409 I410 A411 A440 L441 T443 N445 I448	S401-Q407 VanDerWaalsContact O-CD 3.29Å; S401-Q407 WeakPolarHBondContact O-CG 3.38Å; S401-Q407 PolarHBondContact O-NE2 2.93Å; S403-Q407 WeakPolarHBondContact O-CG 3.38Å; S403-Q407 PolarHBondContact O-N 2.83Å; S404-Q407 WeakPolarHBondContact O-CB 3.33Å; S404-Q407 PolarHBondContact O-N 3.17Å; Q407-R409 VanDerWaalsContact C-N 3.31Å; Q407-R409 PolarHBondContact O-N 3.43Å; Q407-I410 PolarHBondContact O-N 3.46Å; Q407-A411 WeakPolarHBondContact O-CB 3.47Å; Q407-A411 PolarHBondContact O-N 3.17Å; Q407-A440 PolarHBondContact NE2-O 3.36Å; Q407-L441 HydrophobicContact CB-CD2 4.16Å; Q407-L441 HydrophobicContact CG-CD2 4.22Å; Q407-L441 PolarHBondContact NE2-O 3.46Å; Q407-T443 PolarHBondContact NE2-O 2.94Å; Q407-N445 PolarHBondContact OE1-ND2 2.99Å; Q407-I448 HydrophobicContact CB-CD1 3.78Å
408	D	97.1	Very high	96.3	Very high	69 Å²	69	37.7 Å²	37.7	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-44.5	-179.5	-67.8	-24.4	0	0	0	110.7	S404 I410 A411 E412 N445	S404-D408 PolarHBondContact O-N 3.33Å; D408-I410 PolarHBondContact O-N 3.27Å; D408-A411 WeakPolarHBondContact O-CB 3.39Å; D408-A411 PolarHBondContact O-N 2.95Å; D408-E412 WeakPolarHBondContact O-CG 3.23Å; D408-E412 PolarHBondContact O-N 3.36Å; D408-N445 PolarHBondContact OD1-ND2 3.26Å
409	R	97.3	Very high	96.2	Very high	57 Å²	57	37.1 Å²	37.1	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-45.1	177.5	-177.8	51.1	172.1	-171.2	-13.9	112.6	D373 E375 V405 C406 Q407 A411 E412 L413	D373-R409 IonicContact OD1-CZ 2.72Å; D373-R409 IonicContact OD1-NE 2.61Å; D373-R409 PolarHBondContact OD1-NE 3.38Å; D373-R409 VanDerWaalsContact OD1-NE 3.16Å; D373-R409 IonicContact OD1-NH2 2.83Å; D373-R409 PolarHBondContact OD1-NH2 3.44Å; D373-R409 IonicContact OD2-NH2 2.7Å; E375-R409 HydrophobicContact CB-CG 3.87Å; E375-R409 HydrophobicContact CG-CB 4.42Å; E375-R409 HydrophobicContact CG-CG 4.12Å; V405-R409 WeakPolarHBondContact O-CB 3.44Å; V405-R409 PolarHBondContact O-N 3.16Å; V405-R409 VanDerWaalsContact O-N 3.07Å; C406-R409 PolarHBondContact O-N 2.9Å; Q407-R409 VanDerWaalsContact C-N 3.31Å; Q407-R409 PolarHBondContact O-N 3.43Å; R409-A411 VanDerWaalsContact C-N 3.28Å; R409-A411 PolarHBondContact O-N 3.45Å; R409-E412 IonicContact NH1-OE2 2.73Å; R409-E412 PolarHBondContact NH1-OE2 3.01Å; R409-E412 VanDerWaalsContact NH1-OE2 3.08Å; R409-E412 PolarHBondContact O-N 3.24Å; R409-L413 HydrophobicContact CG-CD1 4.05Å; R409-L413 WeakPolarHBondContact O-CD1 3.38Å; R409-L413 WeakPolarHBondContact O-CG 3.43Å; R409-L413 PolarHBondContact O-N 2.99Å; R409-L413 VanDerWaalsContact O-N 3.16Å
410	I	97.4	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-36.7	178.7	-69.2	163.6	0	0	0	110.7	E375 V379 I397 C406 Q407 D408 L413 G414 G415 L441	E375-I410 HydrophobicContact CB-CG1 3.78Å; E375-I410 HydrophobicContact CG-CD1 4.08Å; E375-I410 HydrophobicContact CG-CG1 3.76Å; V379-I410 HydrophobicContact CG2-CG2 4.01Å; I397-I410 HydrophobicContact CB-CD1 4.46Å; I397-I410 HydrophobicContact CG1-CD1 4.25Å; I397-I410 HydrophobicContact CG2-CD1 3.98Å; I397-I410 HydrophobicContact CG2-CG2 4.27Å; C406-I410 WeakPolarHBondContact O-CB 3.31Å; C406-I410 WeakPolarHBondContact O-CD1 3.45Å; C406-I410 WeakPolarHBondContact O-CG1 3.12Å; C406-I410 PolarHBondContact O-N 3.3Å; Q407-I410 PolarHBondContact O-N 3.46Å; D408-I410 PolarHBondContact O-N 3.27Å; I410-L413 PolarHBondContact O-N 3.44Å; I410-G414 PolarHBondContact O-N 2.98Å; I410-G415 PolarHBondContact O-N 2.98Å; I410-L441 HydrophobicContact CB-CD2 4.06Å; I410-L441 HydrophobicContact CD1-CD2 4.33Å; I410-L441 HydrophobicContact CG2-CD1 4.01Å; I410-L441 HydrophobicContact CG2-CD2 3.89Å
411	A	96.7	Very high	96	Very high	14 Å²	14	42.7 Å²	42.7	12%	0.116	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-47.5	174.6	0	0	0	0	0	112.3	Q407 D408 R409 L413 G414 P416 I448	Q407-A411 WeakPolarHBondContact O-CB 3.47Å; Q407-A411 PolarHBondContact O-N 3.17Å; D408-A411 WeakPolarHBondContact O-CB 3.39Å; D408-A411 PolarHBondContact O-N 2.95Å; R409-A411 VanDerWaalsContact C-N 3.28Å; R409-A411 PolarHBondContact O-N 3.45Å; A411-L413 PolarHBondContact O-N 3.18Å; A411-L413 VanDerWaalsContact O-N 3.17Å; A411-G414 PolarHBondContact O-N 2.95Å; A411-P416 HydrophobicContact CB-CG 4.29Å; A411-I448 HydrophobicContact CB-CD1 3.9Å; A411-I448 HydrophobicContact CB-CG1 3.75Å
412	E	96.3	Very high	96	Very high	144 Å²	144	42.7 Å²	42.7	67%	0.673	22%	0.22	S	C	*	.	H	α-helix	trans	-54.7	-34.9	174.7	-73.9	176.7	176.8	0	0	112.9	D408 R409 G414	D408-E412 WeakPolarHBondContact O-CG 3.23Å; D408-E412 PolarHBondContact O-N 3.36Å; R409-E412 IonicContact NH1-OE2 2.73Å; R409-E412 PolarHBondContact NH1-OE2 3.01Å; R409-E412 VanDerWaalsContact NH1-OE2 3.08Å; R409-E412 PolarHBondContact O-N 3.24Å; E412-G414 PolarHBondContact O-N 3.28Å
413	L	95.6	Very high	95.9	Very high	40 Å²	40	36.6 Å²	36.6	21%	0.209	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.8	179.6	-66.1	164.4	0	0	0	113.4	E375 R376 V379 R409 I410 A411	E375-L413 HydrophobicContact CB-CD1 4.01Å; R376-L413 VanDerWaalsContact CA-CD1 3.49Å; R376-L413 HydrophobicContact CB-CD1 4.01Å; R376-L413 HydrophobicContact CB-CD2 4.19Å; R376-L413 HydrophobicContact CG-CD2 4.13Å; V379-L413 HydrophobicContact CB-CB 4.25Å; V379-L413 HydrophobicContact CG1-CB 4Å; V379-L413 HydrophobicContact CG2-CB 4.1Å; V379-L413 HydrophobicContact CG2-CD1 4.3Å; R409-L413 HydrophobicContact CG-CD1 4.05Å; R409-L413 WeakPolarHBondContact O-CD1 3.38Å; R409-L413 WeakPolarHBondContact O-CG 3.43Å; R409-L413 PolarHBondContact O-N 2.99Å; R409-L413 VanDerWaalsContact O-N 3.16Å; I410-L413 PolarHBondContact O-N 3.44Å; A411-L413 PolarHBondContact O-N 3.18Å; A411-L413 VanDerWaalsContact O-N 3.17Å
414	G	95.2	Very high	95.6	Very high	25 Å²	25	42.1 Å²	42.1	26%	0.258	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	17.7	-179.4	0	0	0	0	0	114.5	I410 A411 E412 P416 E417	I410-G414 PolarHBondContact O-N 2.98Å; A411-G414 PolarHBondContact O-N 2.95Å; E412-G414 PolarHBondContact O-N 3.28Å; G414-P416 VanDerWaalsContact C-CD 3.49Å; G414-E417 PolarHBondContact O-N 3.35Å
415	G	96	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-52.9	-44.7	177.8	0	0	0	0	0	114.7	I410 E417 L418 L419	I410-G415 PolarHBondContact O-N 2.98Å; G415-E417 VanDerWaalsContact C-N 3.3Å; G415-E417 PolarHBondContact O-N 3.34Å; G415-L418 PolarHBondContact O-N 3.4Å; G415-L418 VanDerWaalsContact O-N 3.09Å; G415-L419 WeakPolarHBondContact O-CG 3.49Å; G415-L419 PolarHBondContact O-N 3.47Å
416	P	96.3	Very high	95	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-39	-178.7	-29.1	36	0	0	0	114.2	A411 G414 L418 L419 I420 I448 V452	A411-P416 HydrophobicContact CB-CG 4.29Å; G414-P416 VanDerWaalsContact C-CD 3.49Å; P416-L418 PolarHBondContact O-N 3.01Å; P416-L419 PolarHBondContact O-N 3.12Å; P416-I420 WeakPolarHBondContact O-CB 3.29Å; P416-I420 WeakPolarHBondContact O-CD1 3.33Å; P416-I420 WeakPolarHBondContact O-CG1 3.36Å; P416-I420 PolarHBondContact O-N 2.94Å; P416-I448 HydrophobicContact CG-CG2 4.38Å; P416-V452 HydrophobicContact CB-CG2 4.23Å
417	E	95	Very high	94.7	Very high	45 Å²	45	47.9 Å²	47.9	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-46.5	176.2	179.7	49.5	-161.9	0	0	112.4	G414 G415 L419 I420 R421 R455	G414-E417 PolarHBondContact O-N 3.35Å; G415-E417 VanDerWaalsContact C-N 3.3Å; G415-E417 PolarHBondContact O-N 3.34Å; E417-L419 VanDerWaalsContact C-N 3.34Å; E417-I420 PolarHBondContact O-N 2.96Å; E417-R421 WeakPolarHBondContact O-CG 3.4Å; E417-R421 PolarHBondContact O-N 3.5Å; E417-R421 VanDerWaalsContact O-N 3.1Å; E417-R421 IonicContact OE1-CZ 3.98Å; E417-R421 VanDerWaalsContact OE1-CZ 3.26Å; E417-R421 IonicContact OE1-NE 3.95Å; E417-R421 PolarHBondContact OE1-NE 3.5Å; E417-R421 IonicContact OE1-NH2 3.93Å; E417-R421 PolarHBondContact OE1-NH2 3.04Å; E417-R455 VanDerWaalsContact CB-CZ 3.5Å; E417-R455 VanDerWaalsContact CB-NH1 3.3Å; E417-R455 VanDerWaalsContact CD-NH1 3.32Å; E417-R455 WeakPolarHBondContact OE2-CD 3.48Å; E417-R455 IonicContact OE2-CZ 3.86Å; E417-R455 IonicContact OE2-NE 3.33Å; E417-R455 IonicContact OE2-NH1 2.68Å; E417-R455 PolarHBondContact OE2-NH1 3.03Å
418	L	95.7	Very high	94.3	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-39	-176.8	-62.6	176.4	0	0	0	110.5	V379 L382 G415 P416 R421 M422	V379-L418 HydrophobicContact CG1-CD1 4.08Å; V379-L418 WeakPolarHBondContact O-CD1 3.4Å; L382-L418 HydrophobicContact CB-CB 3.85Å; L382-L418 HydrophobicContact CB-CD1 3.87Å; L382-L418 HydrophobicContact CB-CG 4.47Å; L382-L418 HydrophobicContact CD1-CB 3.94Å; L382-L418 HydrophobicContact CD1-CD1 4.37Å; G415-L418 PolarHBondContact O-N 3.4Å; G415-L418 VanDerWaalsContact O-N 3.09Å; P416-L418 PolarHBondContact O-N 3.01Å; L418-R421 WeakPolarHBondContact O-CB 3.45Å; L418-R421 PolarHBondContact O-N 3.36Å; L418-M422 WeakPolarHBondContact O-CG 3.45Å; L418-M422 PolarHBondContact O-N 3.01Å
419	L	96.6	Very high	94	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-37.7	176	-62.7	170.9	0	0	0	112.3	L382 A394 I397 G415 P416 E417 R421 M422 T423 A437 L438 L441	L382-L419 HydrophobicContact CD1-CD2 3.79Å; L382-L419 HydrophobicContact CD1-CG 3.93Å; L382-L419 HydrophobicContact CD2-CD2 3.93Å; A394-L419 HydrophobicContact CB-CD2 3.79Å; I397-L419 HydrophobicContact CG2-CD1 4.23Å; G415-L419 WeakPolarHBondContact O-CG 3.49Å; G415-L419 PolarHBondContact O-N 3.47Å; P416-L419 PolarHBondContact O-N 3.12Å; E417-L419 VanDerWaalsContact C-N 3.34Å; L419-R421 VanDerWaalsContact C-N 3.29Å; L419-R421 PolarHBondContact O-N 3.23Å; L419-M422 HydrophobicContact CD2-SD 3.96Å; L419-M422 WeakPolarHBondContact O-CB 3.49Å; L419-M422 PolarHBondContact O-N 3.45Å; L419-M422 VanDerWaalsContact O-N 3.13Å; L419-T423 PolarHBondContact O-N 3.38Å; L419-A437 HydrophobicContact CD1-CB 3.76Å; L419-A437 HydrophobicContact CD2-CB 3.74Å; L419-A437 HydrophobicContact CG-CB 4.34Å; L419-L438 HydrophobicContact CB-CD1 4.26Å; L419-L438 HydrophobicContact CB-CD2 3.79Å; L419-L438 HydrophobicContact CB-CG 3.75Å; L419-L438 HydrophobicContact CD1-CD2 4.25Å; L419-L438 HydrophobicContact CD1-CG 4.48Å; L419-L441 HydrophobicContact CD1-CD1 3.34Å
420	I	95.5	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-43.8	171.9	-72.1	162.3	0	0	0	110	P416 E417 M422 T423 R424 L438 V452 R455 A461	P416-I420 WeakPolarHBondContact O-CB 3.29Å; P416-I420 WeakPolarHBondContact O-CD1 3.33Å; P416-I420 WeakPolarHBondContact O-CG1 3.36Å; P416-I420 PolarHBondContact O-N 2.94Å; E417-I420 PolarHBondContact O-N 2.96Å; I420-M422 VanDerWaalsContact C-N 3.32Å; I420-M422 PolarHBondContact O-N 2.87Å; I420-T423 PolarHBondContact O-N 3.43Å; I420-T423 PolarHBondContact O-OG1 3.17Å; I420-R424 PolarHBondContact O-N 3.04Å; I420-L438 HydrophobicContact CG1-CD1 3.9Å; I420-L438 HydrophobicContact CG1-CD2 4.3Å; I420-V452 HydrophobicContact CD1-CG1 4.24Å; I420-R455 HydrophobicContact CD1-CB 4.23Å; I420-R455 VanDerWaalsContact CD1-CD 3.44Å; I420-R455 HydrophobicContact CD1-CG 4.44Å; I420-A461 HydrophobicContact CG2-CB 4Å
421	R	94.3	Very high	93.7	Very high	151 Å²	151	53.6 Å²	53.6	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-60.9	-40.3	175.1	-67	174.7	-169.2	-175.6	3.2	112.3	E417 L418 L419 T423 R424	E417-R421 WeakPolarHBondContact O-CG 3.4Å; E417-R421 PolarHBondContact O-N 3.5Å; E417-R421 VanDerWaalsContact O-N 3.1Å; E417-R421 IonicContact OE1-CZ 3.98Å; E417-R421 VanDerWaalsContact OE1-CZ 3.26Å; E417-R421 IonicContact OE1-NE 3.95Å; E417-R421 PolarHBondContact OE1-NE 3.5Å; E417-R421 IonicContact OE1-NH2 3.93Å; E417-R421 PolarHBondContact OE1-NH2 3.04Å; L418-R421 WeakPolarHBondContact O-CB 3.45Å; L418-R421 PolarHBondContact O-N 3.36Å; L419-R421 VanDerWaalsContact C-N 3.29Å; L419-R421 PolarHBondContact O-N 3.23Å; R421-T423 VanDerWaalsContact C-N 3.33Å; R421-T423 PolarHBondContact O-N 2.91Å; R421-R424 PolarHBondContact O-N 3.35Å; R421-R424 VanDerWaalsContact O-N 3.12Å
422	M	94.6	Very high	93.5	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-39.8	175.9	-71.2	174.4	58.3	0	0	112.4	L382 R390 A394 L418 L419 I420 R424 S425 L430 K431 A433	L382-M422 HydrophobicContact CD2-SD 3.78Å; R390-M422 HydrophobicContact CB-CE 4.47Å; A394-M422 HydrophobicContact CB-CE 3.4Å; A394-M422 VanDerWaalsContact CB-CE 3.4Å; A394-M422 HydrophobicContact CB-SD 4.15Å; L418-M422 WeakPolarHBondContact O-CG 3.45Å; L418-M422 PolarHBondContact O-N 3.01Å; L419-M422 HydrophobicContact CD2-SD 3.96Å; L419-M422 WeakPolarHBondContact O-CB 3.49Å; L419-M422 PolarHBondContact O-N 3.45Å; L419-M422 VanDerWaalsContact O-N 3.13Å; I420-M422 VanDerWaalsContact C-N 3.32Å; I420-M422 PolarHBondContact O-N 2.87Å; M422-R424 PolarHBondContact O-N 3.35Å; M422-R424 VanDerWaalsContact O-N 3.16Å; M422-S425 VanDerWaalsContact O-CB 3.28Å; M422-S425 WeakPolarHBondContact O-CB 3.48Å; M422-S425 PolarHBondContact O-N 3.35Å; M422-L430 HydrophobicContact CB-CG 4.26Å; M422-L430 HydrophobicContact CE-CD1 3.33Å; M422-L430 HydrophobicContact CE-CG 4.02Å; M422-L430 HydrophobicContact CG-CD1 4.08Å; M422-L430 HydrophobicContact CG-CG 4.17Å; M422-L430 HydrophobicContact SD-CD1 4.25Å; M422-K431 WeakPolarHBondContact O-CA 3.4Å; M422-A433 HydrophobicContact CE-CB 4.23Å
423	T	92.7	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-15.1	176.6	58.4	0	0	0	0	114.5	L419 I420 R421 K431 A435 L438 A461	L419-T423 PolarHBondContact O-N 3.38Å; I420-T423 PolarHBondContact O-N 3.43Å; I420-T423 PolarHBondContact O-OG1 3.17Å; R421-T423 VanDerWaalsContact C-N 3.33Å; R421-T423 PolarHBondContact O-N 2.91Å; T423-K431 WeakPolarHBondContact O-CD 3.43Å; T423-K431 WeakPolarHBondContact O-CE 3.18Å; T423-K431 WeakPolarHBondContact O-CG 3.47Å; T423-A435 HydrophobicContact CG2-CB 3.94Å; T423-A435 VanDerWaalsContact CG2-N 3.32Å; T423-L438 HydrophobicContact CG2-CD1 3.84Å; T423-A461 WeakPolarHBondContact OG1-CB 3.46Å
424	R	90.8	Very high	93.5	Very high	146 Å²	146	45 Å²	45	55%	0.551	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-1	175.2	-63.1	-179.6	61.6	169.7	0.1	113.5	I420 R421 M422 S457 A461	I420-R424 PolarHBondContact O-N 3.04Å; R421-R424 PolarHBondContact O-N 3.35Å; R421-R424 VanDerWaalsContact O-N 3.12Å; M422-R424 PolarHBondContact O-N 3.35Å; M422-R424 VanDerWaalsContact O-N 3.16Å; R424-S457 PolarHBondContact NH1-OG 2.69Å; R424-A461 HydrophobicContact CG-CB 3.61Å
425	S	90.3	Very high	93.5	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	20%	0.198	C	C	.	.			trans	-70.5	147.5	177.2	-172.5	0	0	0	0	111.8	M422 H427	M422-S425 VanDerWaalsContact O-CB 3.28Å; M422-S425 WeakPolarHBondContact O-CB 3.48Å; M422-S425 PolarHBondContact O-N 3.35Å; S425-H427 VanDerWaalsContact C-N 3.26Å; S425-H427 PolarHBondContact OG-N 3.21Å
426	D	88.1	Confident	93.6	Very high	164 Å²	164	46.5 Å²	46.5	88%	0.877	22%	0.215	S	C	*	.	S	Bend	trans	-74.8	-19.5	168.4	-62.4	-39.8	0	0	0	111.7	R428	D426-R428 PolarHBondContact O-N 2.94Å
427	H	89.5	Confident	93.6	Very high	72 Å²	72	46.5 Å²	46.5	33%	0.333	22%	0.215	S	C	.	.			trans	-73.6	115.6	176.6	-166.1	-89	0	0	0	111	E387 S425 E429 L430 K431	E387-H427 WeakPolarHBondContact OE2-CB 3.43Å; E387-H427 IonicContact OE2-CD2 3.53Å; E387-H427 PolarHBondContact OE2-CD2 2.66Å; E387-H427 IonicContact OE2-CG 2.71Å; E387-H427 IonicContact OE2-ND1 2.95Å; E387-H427 IonicContact OE2-NE2 2.71Å; S425-H427 VanDerWaalsContact C-N 3.26Å; S425-H427 PolarHBondContact OG-N 3.21Å; H427-E429 IonicContact CE1-OE2 3.16Å; H427-E429 PolarHBondContact O-N 2.82Å; H427-L430 HydrophobicContact CB-CB 4.05Å; H427-L430 PolarHBondContact ND1-N 2.89Å; H427-L430 PolarHBondContact O-N 3.27Å; H427-K431 WeakPolarHBondContact O-CB 3.2Å; H427-K431 PolarHBondContact O-N 3.11Å
428	R	90.2	Very high	93.7	Very high	106 Å²	106	44.4 Å²	44.4	40%	0.4	21%	0.205	S	C	.	.	H	α-helix	trans	-60.9	-46.6	-170.1	-63	172.5	176.7	-157.5	-13.7	113.2	D426 L430 K431 S432 D470 E472 V473	D426-R428 PolarHBondContact O-N 2.94Å; R428-L430 VanDerWaalsContact C-N 3.29Å; R428-L430 PolarHBondContact O-N 3.46Å; R428-K431 PolarHBondContact O-N 3.07Å; R428-S432 WeakPolarHBondContact O-CB 3.16Å; R428-S432 PolarHBondContact O-N 3.39Å; R428-D470 IonicContact CZ-OD2 2.86Å; R428-D470 IonicContact NH1-OD2 3.03Å; R428-D470 PolarHBondContact NH1-OD2 2.9Å; R428-D470 IonicContact NH2-OD2 3.25Å; R428-D470 PolarHBondContact NH2-OD2 3.22Å; R428-E472 IonicContact NH1-OE2 3.63Å; R428-V473 HydrophobicContact CB-CG2 4.16Å
429	E	90.4	Very high	93.8	Very high	128 Å²	128	43.1 Å²	43.1	60%	0.598	20%	0.199	S	C	*	.	H	α-helix	trans	-66.1	-36	-178.9	-57.4	-178.1	164	0	0	111.6	H427 S432 A433	H427-E429 IonicContact CE1-OE2 3.16Å; H427-E429 PolarHBondContact O-N 2.82Å; E429-S432 WeakPolarHBondContact O-CB 3.24Å; E429-S432 PolarHBondContact O-N 3.41Å; E429-A433 WeakPolarHBondContact O-CB 3.36Å; E429-A433 PolarHBondContact O-N 3.32Å
430	L	93	Very high	93.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-44	179.3	-172.9	70.3	0	0	0	110.5	E387 R390 S391 M422 H427 R428 S432 A433 G434	E387-L430 HydrophobicContact CG-CD2 4.29Å; R390-L430 HydrophobicContact CB-CD1 3.52Å; S391-L430 WeakPolarHBondContact OG-CA 3.45Å; S391-L430 WeakPolarHBondContact OG-CD1 3.39Å; M422-L430 HydrophobicContact CB-CG 4.26Å; M422-L430 HydrophobicContact CE-CD1 3.33Å; M422-L430 HydrophobicContact CE-CG 4.02Å; M422-L430 HydrophobicContact CG-CD1 4.08Å; M422-L430 HydrophobicContact CG-CG 4.17Å; M422-L430 HydrophobicContact SD-CD1 4.25Å; H427-L430 HydrophobicContact CB-CB 4.05Å; H427-L430 PolarHBondContact ND1-N 2.89Å; H427-L430 PolarHBondContact O-N 3.27Å; R428-L430 VanDerWaalsContact C-N 3.29Å; R428-L430 PolarHBondContact O-N 3.46Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 2.94Å; L430-A433 PolarHBondContact O-N 3.36Å; L430-G434 PolarHBondContact O-N 3.1Å
431	K	93.9	Very high	94	Very high	23 Å²	23	44.1 Å²	44.1	10%	0.1	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-43	174	-179.1	163	-174.1	165.6	0	111.4	M422 T423 H427 R428 G434 A435 S464 I476	M422-K431 WeakPolarHBondContact O-CA 3.4Å; T423-K431 WeakPolarHBondContact O-CD 3.43Å; T423-K431 WeakPolarHBondContact O-CE 3.18Å; T423-K431 WeakPolarHBondContact O-CG 3.47Å; H427-K431 WeakPolarHBondContact O-CB 3.2Å; H427-K431 PolarHBondContact O-N 3.11Å; R428-K431 PolarHBondContact O-N 3.07Å; K431-G434 PolarHBondContact O-N 2.98Å; K431-A435 WeakPolarHBondContact O-CB 3.48Å; K431-A435 PolarHBondContact O-N 3.31Å; K431-S464 PolarHBondContact NZ-O 3.18Å; K431-S464 PolarHBondContact NZ-OG 3.37Å; K431-S464 VanDerWaalsContact NZ-OG 3.1Å; K431-I476 HydrophobicContact CB-CD1 4.21Å; K431-I476 HydrophobicContact CB-CG1 4.48Å; K431-I476 HydrophobicContact CD-CD1 4.36Å; K431-I476 HydrophobicContact CD-CG2 4.25Å; K431-I476 HydrophobicContact CG-CD1 4.07Å; K431-I476 HydrophobicContact CG-CG1 4.17Å; K431-I476 HydrophobicContact CG-CG2 3.99Å
432	S	93.8	Very high	94.1	Very high	15 Å²	15	37 Å²	37	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-49.8	176.3	176.4	0	0	0	0	112.2	R428 E429 L430 G434 A435 T436 S475	R428-S432 WeakPolarHBondContact O-CB 3.16Å; R428-S432 PolarHBondContact O-N 3.39Å; E429-S432 WeakPolarHBondContact O-CB 3.24Å; E429-S432 PolarHBondContact O-N 3.41Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 2.94Å; S432-G434 VanDerWaalsContact C-N 3.35Å; S432-G434 PolarHBondContact O-N 3.26Å; S432-A435 PolarHBondContact O-N 3.05Å; S432-T436 WeakPolarHBondContact O-CB 3.24Å; S432-T436 PolarHBondContact O-N 3.36Å; S432-T436 PolarHBondContact O-OG1 3.14Å; S432-S475 WeakPolarHBondContact OG-CB 3.43Å; S432-S475 PolarHBondContact OG-OG 3.15Å
433	A	95.4	Very high	94.2	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-43.2	179.6	0	0	0	0	0	111.4	A394 Q395 M422 E429 L430 A437	A394-A433 HydrophobicContact CB-CB 3.88Å; Q395-A433 HydrophobicContact CG-CB 4.16Å; M422-A433 HydrophobicContact CE-CB 4.23Å; E429-A433 WeakPolarHBondContact O-CB 3.36Å; E429-A433 PolarHBondContact O-N 3.32Å; L430-A433 PolarHBondContact O-N 3.36Å; A433-A437 VanDerWaalsContact O-CB 3.32Å; A433-A437 WeakPolarHBondContact O-CB 3.36Å; A433-A437 PolarHBondContact O-N 3.06Å
434	G	96.2	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-45.9	175.2	0	0	0	0	0	113.1	L430 K431 S432 A437 L438	L430-G434 PolarHBondContact O-N 3.1Å; K431-G434 PolarHBondContact O-N 2.98Å; S432-G434 VanDerWaalsContact C-N 3.35Å; S432-G434 PolarHBondContact O-N 3.26Å; G434-A437 PolarHBondContact O-N 3.27Å; G434-L438 WeakPolarHBondContact O-CG 3.34Å; G434-L438 PolarHBondContact O-N 3.34Å
435	A	95.9	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-41.2	-178.8	0	0	0	0	0	111.7	T423 K431 S432 L438 A439	T423-A435 HydrophobicContact CG2-CB 3.94Å; T423-A435 VanDerWaalsContact CG2-N 3.32Å; K431-A435 WeakPolarHBondContact O-CB 3.48Å; K431-A435 PolarHBondContact O-N 3.31Å; S432-A435 PolarHBondContact O-N 3.05Å; A435-L438 PolarHBondContact O-N 3.42Å; A435-A439 WeakPolarHBondContact O-CB 3.36Å; A435-A439 PolarHBondContact O-N 3.45Å
436	T	96.3	Very high	94.9	Very high	57 Å²	57	37.5 Å²	37.5	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-43.6	177.6	-55.4	0	0	0	0	111.1	A398 S432 A439 A440	A398-T436 HydrophobicContact CB-CG2 4.1Å; S432-T436 WeakPolarHBondContact O-CB 3.24Å; S432-T436 PolarHBondContact O-N 3.36Å; S432-T436 PolarHBondContact O-OG1 3.14Å; T436-A439 PolarHBondContact O-N 3.43Å; T436-A440 PolarHBondContact O-N 2.96Å
437	A	97.7	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-43.3	176.6	0	0	0	0	0	112.5	A394 I397 A398 L419 A433 G434 A440 L441	A394-A437 HydrophobicContact CB-CB 4.36Å; A394-A437 WeakPolarHBondContact O-CB 3.48Å; I397-A437 HydrophobicContact CG2-CB 4.11Å; A398-A437 HydrophobicContact CB-CB 4.3Å; L419-A437 HydrophobicContact CD1-CB 3.76Å; L419-A437 HydrophobicContact CD2-CB 3.74Å; L419-A437 HydrophobicContact CG-CB 4.34Å; A433-A437 VanDerWaalsContact O-CB 3.32Å; A433-A437 WeakPolarHBondContact O-CB 3.36Å; A433-A437 PolarHBondContact O-N 3.06Å; G434-A437 PolarHBondContact O-N 3.27Å; A437-A440 PolarHBondContact O-N 3.31Å; A437-L441 WeakPolarHBondContact O-CB 3.43Å; A437-L441 WeakPolarHBondContact O-CG 3.3Å; A437-L441 PolarHBondContact O-N 3.47Å
438	L	97.3	Very high	95.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-40	175.4	-75.1	173.6	0	0	0	112.5	L419 I420 T423 G434 A435 A440 L441 T442 V452 L462	L419-L438 HydrophobicContact CB-CD1 4.26Å; L419-L438 HydrophobicContact CB-CD2 3.79Å; L419-L438 HydrophobicContact CB-CG 3.75Å; L419-L438 HydrophobicContact CD1-CD2 4.25Å; L419-L438 HydrophobicContact CD1-CG 4.48Å; I420-L438 HydrophobicContact CG1-CD1 3.9Å; I420-L438 HydrophobicContact CG1-CD2 4.3Å; T423-L438 HydrophobicContact CG2-CD1 3.84Å; G434-L438 WeakPolarHBondContact O-CG 3.34Å; G434-L438 PolarHBondContact O-N 3.34Å; A435-L438 PolarHBondContact O-N 3.42Å; L438-A440 VanDerWaalsContact C-N 3.31Å; L438-A440 PolarHBondContact O-N 3.36Å; L438-L441 PolarHBondContact O-N 3.49Å; L438-T442 WeakPolarHBondContact O-CB 3.41Å; L438-T442 VanDerWaalsContact O-CG2 3.24Å; L438-T442 WeakPolarHBondContact O-CG2 3.34Å; L438-T442 PolarHBondContact O-N 2.98Å; L438-T442 PolarHBondContact O-OG1 3.27Å; L438-V452 HydrophobicContact CD2-CG2 4.19Å; L438-L462 HydrophobicContact CD1-CD2 4.12Å
439	A	97.6	Very high	95.9	Very high	8 Å²	8	23.8 Å²	23.8	7%	0.066	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-44.1	174.5	0	0	0	0	0	111.4	A435 T436 T442 T443 V482 A483 N486	A435-A439 WeakPolarHBondContact O-CB 3.36Å; A435-A439 PolarHBondContact O-N 3.45Å; T436-A439 PolarHBondContact O-N 3.43Å; A439-T442 PolarHBondContact O-OG1 3.28Å; A439-T442 VanDerWaalsContact O-OG1 3.13Å; A439-T443 PolarHBondContact O-N 3.41Å; A439-T443 PolarHBondContact O-OG1 2.59Å; A439-V482 HydrophobicContact CB-CB 3.98Å; A439-V482 HydrophobicContact CB-CG1 3.86Å; A439-A483 HydrophobicContact CB-CB 4.41Å; A439-N486 PolarHBondContact O-ND2 3.24Å
440	A	97.8	Very high	96.1	Very high	22 Å²	22	23.1 Å²	23.1	18%	0.182	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-45.2	177.8	0	0	0	0	0	112.4	A398 Q407 T436 A437 L438 T442 T443	A398-A440 HydrophobicContact CB-CB 4.28Å; A398-A440 VanDerWaalsContact O-CB 3.29Å; A398-A440 WeakPolarHBondContact O-CB 3.49Å; Q407-A440 PolarHBondContact NE2-O 3.36Å; T436-A440 PolarHBondContact O-N 2.96Å; A437-A440 PolarHBondContact O-N 3.31Å; L438-A440 VanDerWaalsContact C-N 3.31Å; L438-A440 PolarHBondContact O-N 3.36Å; A440-T442 VanDerWaalsContact C-N 3.32Å; A440-T442 PolarHBondContact O-N 3.29Å; A440-T443 WeakPolarHBondContact O-CB 3.39Å; A440-T443 PolarHBondContact O-N 2.97Å
441	L	97.6	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-34.6	178.9	-78.3	172.1	0	0	0	113.6	I397 S401 Q407 I410 L419 A437 L438 T443 I448	I397-L441 HydrophobicContact CG2-CD1 4.27Å; I397-L441 HydrophobicContact CG2-CG 4.46Å; S401-L441 WeakPolarHBondContact OG-CD2 3.34Å; S401-L441 WeakPolarHBondContact OG-CG 3.19Å; Q407-L441 HydrophobicContact CB-CD2 4.16Å; Q407-L441 HydrophobicContact CG-CD2 4.22Å; Q407-L441 PolarHBondContact NE2-O 3.46Å; I410-L441 HydrophobicContact CB-CD2 4.06Å; I410-L441 HydrophobicContact CD1-CD2 4.33Å; I410-L441 HydrophobicContact CG2-CD1 4.01Å; I410-L441 HydrophobicContact CG2-CD2 3.89Å; L419-L441 HydrophobicContact CD1-CD1 3.34Å; A437-L441 WeakPolarHBondContact O-CB 3.43Å; A437-L441 WeakPolarHBondContact O-CG 3.3Å; A437-L441 PolarHBondContact O-N 3.47Å; L438-L441 PolarHBondContact O-N 3.49Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-I448 HydrophobicContact CB-CD1 4.44Å; L441-I448 HydrophobicContact CB-CG2 4.19Å; L441-I448 HydrophobicContact CD2-CD1 4.29Å; L441-I448 WeakPolarHBondContact O-CD1 3.32Å
442	T	97.3	Very high	96.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-81.5	-10.9	-179.4	54.1	0	0	0	0	113.2	L438 A439 A440 G444 I448 C449 V452 N486 L487	L438-T442 WeakPolarHBondContact O-CB 3.41Å; L438-T442 VanDerWaalsContact O-CG2 3.24Å; L438-T442 WeakPolarHBondContact O-CG2 3.34Å; L438-T442 PolarHBondContact O-N 2.98Å; L438-T442 PolarHBondContact O-OG1 3.27Å; A439-T442 PolarHBondContact O-OG1 3.28Å; A439-T442 VanDerWaalsContact O-OG1 3.13Å; A440-T442 VanDerWaalsContact C-N 3.32Å; A440-T442 PolarHBondContact O-N 3.29Å; T442-G444 PolarHBondContact O-N 3.08Å; T442-G444 VanDerWaalsContact O-N 3.14Å; T442-I448 HydrophobicContact CG2-CG2 4.15Å; T442-C449 PolarHBondContact O-SG 2.9Å; T442-C449 VanDerWaalsContact O-SG 3.38Å; T442-V452 HydrophobicContact CG2-CG2 4.23Å; T442-N486 PolarHBondContact OG1-ND2 2.88Å; T442-N486 VanDerWaalsContact OG1-ND2 3.13Å; T442-L487 HydrophobicContact CG2-CD1 3.51Å
443	T	97	Very high	96.3	Very high	72 Å²	72	23.9 Å²	23.9	44%	0.442	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	112.3	-176.4	-64	0	0	0	0	110.2	Q407 A439 A440 L441 N445 N486	Q407-T443 PolarHBondContact NE2-O 2.94Å; A439-T443 PolarHBondContact O-N 3.41Å; A439-T443 PolarHBondContact O-OG1 2.59Å; A440-T443 WeakPolarHBondContact O-CB 3.39Å; A440-T443 PolarHBondContact O-N 2.97Å; L441-T443 VanDerWaalsContact C-N 3.31Å; T443-N445 PolarHBondContact O-N 2.84Å; T443-N486 WeakPolarHBondContact CA-ND2 3.34Å; T443-N486 PolarHBondContact N-ND2 3.25Å; T443-N486 PolarHBondContact OG1-ND2 2.86Å
444	G	95.5	Very high	96.1	Very high	85 Å²	85	27.1 Å²	27.1	88%	0.876	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	7.7	177	0	0	0	0	0	115.3	T442	T442-G444 PolarHBondContact O-N 3.08Å; T442-G444 VanDerWaalsContact O-N 3.14Å
445	N	96.7	Very high	95.7	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.091	19%	0.192	C	C	.	.			trans	-120	91.7	-176.9	-162.7	-39.1	0	0	0	112	Q407 D408 T443 S447 I448 C449	Q407-N445 PolarHBondContact OE1-ND2 2.99Å; D408-N445 PolarHBondContact OD1-ND2 3.26Å; T443-N445 PolarHBondContact O-N 2.84Å; N445-S447 PolarHBondContact O-N 2.91Å; N445-S447 PolarHBondContact OD1-N 2.97Å; N445-S447 PolarHBondContact OD1-OG 3.15Å; N445-I448 HydrophobicContact CB-CB 4.41Å; N445-I448 HydrophobicContact CB-CD1 4.2Å; N445-I448 HydrophobicContact CB-CG1 4.4Å; N445-I448 PolarHBondContact O-N 3.29Å; N445-I448 PolarHBondContact OD1-N 3.26Å; N445-C449 PolarHBondContact O-N 3.16Å; N445-C449 VanDerWaalsContact O-N 3.09Å; N445-C449 PolarHBondContact O-SG 3.25Å; N445-C449 VanDerWaalsContact O-SG 3.4Å
446	G	95.7	Very high	94.5	Very high	15 Å²	15	38.4 Å²	38.4	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-26.8	-178.7	0	0	0	0	0	114.1	R450 E490	G446-R450 WeakPolarHBondContact O-CG 3.21Å; G446-R450 PolarHBondContact O-N 3.05Å; G446-R450 PolarHBondContact O-NH1 2.91Å; G446-E490 WeakPolarHBondContact CA-OE2 3.48Å
447	S	95.7	Very high	93.9	Very high	51 Å²	51	36.7 Å²	36.7	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-45.3	178.3	78.9	0	0	0	0	112	N445 R450 E451	N445-S447 PolarHBondContact O-N 2.91Å; N445-S447 PolarHBondContact OD1-N 2.97Å; N445-S447 PolarHBondContact OD1-OG 3.15Å; S447-R450 PolarHBondContact O-N 3.25Å; S447-E451 PolarHBondContact O-N 3.25Å
448	I	96.7	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-39.8	177.2	-62.4	176.6	0	0	0	110.3	Q407 A411 P416 L441 T442 N445 R450 E451 V452	Q407-I448 HydrophobicContact CB-CD1 3.78Å; A411-I448 HydrophobicContact CB-CD1 3.9Å; A411-I448 HydrophobicContact CB-CG1 3.75Å; P416-I448 HydrophobicContact CG-CG2 4.38Å; L441-I448 HydrophobicContact CB-CD1 4.44Å; L441-I448 HydrophobicContact CB-CG2 4.19Å; L441-I448 HydrophobicContact CD2-CD1 4.29Å; L441-I448 WeakPolarHBondContact O-CD1 3.32Å; T442-I448 HydrophobicContact CG2-CG2 4.15Å; N445-I448 HydrophobicContact CB-CB 4.41Å; N445-I448 HydrophobicContact CB-CD1 4.2Å; N445-I448 HydrophobicContact CB-CG1 4.4Å; N445-I448 PolarHBondContact O-N 3.29Å; N445-I448 PolarHBondContact OD1-N 3.26Å; I448-R450 VanDerWaalsContact C-N 3.29Å; I448-R450 PolarHBondContact O-N 3.43Å; I448-E451 PolarHBondContact O-N 3.16Å; I448-E451 VanDerWaalsContact O-N 3.14Å; I448-V452 HydrophobicContact CG2-CG2 4.14Å; I448-V452 WeakPolarHBondContact O-CG2 3.48Å; I448-V452 PolarHBondContact O-N 2.97Å
449	C	96.7	Very high	93.5	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-53.5	-47.4	172.5	-71	0	0	0	0	111.4	T442 N445 V452 A453 L487 E490 T493	T442-C449 PolarHBondContact O-SG 2.9Å; T442-C449 VanDerWaalsContact O-SG 3.38Å; N445-C449 PolarHBondContact O-N 3.16Å; N445-C449 VanDerWaalsContact O-N 3.09Å; N445-C449 PolarHBondContact O-SG 3.25Å; N445-C449 VanDerWaalsContact O-SG 3.4Å; C449-V452 PolarHBondContact O-N 2.9Å; C449-A453 VanDerWaalsContact O-CB 3.26Å; C449-A453 WeakPolarHBondContact O-CB 3.33Å; C449-A453 PolarHBondContact O-N 3.43Å; C449-L487 HydrophobicContact CB-CD1 4.22Å; C449-L487 HydrophobicContact CB-CG 4.25Å; C449-E490 HydrophobicContact CB-CB 4.19Å; C449-E490 HydrophobicContact CB-CG 4.17Å; C449-T493 HydrophobicContact CB-CG2 4.45Å
450	R	95.2	Very high	93.2	Very high	114 Å²	114	43.5 Å²	43.5	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176.2	-73.5	-172.7	-59.2	-87.6	5.3	112.4	G446 S447 I448 S454 E490 T492 T493	G446-R450 WeakPolarHBondContact O-CG 3.21Å; G446-R450 PolarHBondContact O-N 3.05Å; G446-R450 PolarHBondContact O-NH1 2.91Å; S447-R450 PolarHBondContact O-N 3.25Å; I448-R450 VanDerWaalsContact C-N 3.29Å; I448-R450 PolarHBondContact O-N 3.43Å; R450-S454 WeakPolarHBondContact O-CB 3.44Å; R450-S454 PolarHBondContact O-N 3.46Å; R450-S454 PolarHBondContact O-OG 3.11Å; R450-E490 IonicContact NH1-OE1 2.65Å; R450-E490 PolarHBondContact NH1-OE1 2.87Å; R450-T492 WeakPolarHBondContact CD-OG1 3.4Å; R450-T492 VanDerWaalsContact CG-OG1 3.27Å; R450-T492 WeakPolarHBondContact CG-OG1 3.34Å; R450-T493 HydrophobicContact CB-CG2 4.25Å; R450-T493 HydrophobicContact CG-CG2 3.8Å
451	E	94.7	Very high	93	Very high	44 Å²	44	42.5 Å²	42.5	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-53.9	177.7	-168.8	-170.6	150.7	0	0	111.2	S447 I448 A453 S454 R455	S447-E451 PolarHBondContact O-N 3.25Å; I448-E451 PolarHBondContact O-N 3.16Å; I448-E451 VanDerWaalsContact O-N 3.14Å; E451-A453 VanDerWaalsContact C-N 3.34Å; E451-A453 PolarHBondContact O-N 3.22Å; E451-S454 PolarHBondContact O-N 3.42Å; E451-S454 VanDerWaalsContact O-N 3.11Å; E451-S454 PolarHBondContact O-OG 2.97Å; E451-R455 WeakPolarHBondContact O-CG 3.48Å; E451-R455 PolarHBondContact O-N 3.17Å; E451-R455 IonicContact OE1-CZ 2.87Å; E451-R455 IonicContact OE1-NE 3.48Å; E451-R455 PolarHBondContact OE1-NE 3.37Å; E451-R455 VanDerWaalsContact OE1-NE 3.13Å; E451-R455 IonicContact OE1-NH2 3.53Å; E451-R455 PolarHBondContact OE1-NH2 3.44Å
452	V	95.8	Very high	92.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-44.1	-179.9	175.5	0	0	0	0	111.1	P416 I420 L438 T442 I448 C449 S454 L462 L487	P416-V452 HydrophobicContact CB-CG2 4.23Å; I420-V452 HydrophobicContact CD1-CG1 4.24Å; L438-V452 HydrophobicContact CD2-CG2 4.19Å; T442-V452 HydrophobicContact CG2-CG2 4.23Å; I448-V452 HydrophobicContact CG2-CG2 4.14Å; I448-V452 WeakPolarHBondContact O-CG2 3.48Å; I448-V452 PolarHBondContact O-N 2.97Å; C449-V452 PolarHBondContact O-N 2.9Å; V452-S454 VanDerWaalsContact C-N 3.31Å; V452-S454 PolarHBondContact O-N 2.74Å; V452-L462 HydrophobicContact CG1-CD1 4.15Å; V452-L487 HydrophobicContact CB-CD2 4.4Å; V452-L487 HydrophobicContact CG1-CD2 4.01Å
453	A	94.2	Very high	92.6	Very high	10 Å²	10	43.6 Å²	43.6	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-70	-24.1	178.7	0	0	0	0	0	113.8	C449 E451 L487 T493	C449-A453 VanDerWaalsContact O-CB 3.26Å; C449-A453 WeakPolarHBondContact O-CB 3.33Å; C449-A453 PolarHBondContact O-N 3.43Å; E451-A453 VanDerWaalsContact C-N 3.34Å; E451-A453 PolarHBondContact O-N 3.22Å; A453-L487 HydrophobicContact CB-CD2 3.97Å; A453-T493 HydrophobicContact CB-CG2 3.62Å
454	S	91.3	Very high	92.3	Very high	70 Å²	70	41.8 Å²	41.8	49%	0.49	24%	0.243	S	C	.	.	H	α-helix	trans	-84.7	-21.3	-179.6	71.8	0	0	0	0	113.9	R450 E451 V452	R450-S454 WeakPolarHBondContact O-CB 3.44Å; R450-S454 PolarHBondContact O-N 3.46Å; R450-S454 PolarHBondContact O-OG 3.11Å; E451-S454 PolarHBondContact O-N 3.42Å; E451-S454 VanDerWaalsContact O-N 3.11Å; E451-S454 PolarHBondContact O-OG 2.97Å; V452-S454 VanDerWaalsContact C-N 3.31Å; V452-S454 PolarHBondContact O-N 2.74Å
455	R	87.9	Confident	92.2	Very high	70 Å²	70	37.8 Å²	37.8	26%	0.264	20%	0.202	S	C	.	.	S	Bend	trans	-72	133.9	179.7	-73.2	173.4	177.7	-75.6	-2.5	109.9	E417 I420 E451 S457 G458	E417-R455 VanDerWaalsContact CB-CZ 3.5Å; E417-R455 VanDerWaalsContact CB-NH1 3.3Å; E417-R455 VanDerWaalsContact CD-NH1 3.32Å; E417-R455 WeakPolarHBondContact OE2-CD 3.48Å; E417-R455 IonicContact OE2-CZ 3.86Å; E417-R455 IonicContact OE2-NE 3.33Å; E417-R455 IonicContact OE2-NH1 2.68Å; E417-R455 PolarHBondContact OE2-NH1 3.03Å; I420-R455 HydrophobicContact CD1-CB 4.23Å; I420-R455 VanDerWaalsContact CD1-CD 3.44Å; I420-R455 HydrophobicContact CD1-CG 4.44Å; E451-R455 WeakPolarHBondContact O-CG 3.48Å; E451-R455 PolarHBondContact O-N 3.17Å; E451-R455 IonicContact OE1-CZ 2.87Å; E451-R455 IonicContact OE1-NE 3.48Å; E451-R455 PolarHBondContact OE1-NE 3.37Å; E451-R455 VanDerWaalsContact OE1-NE 3.13Å; E451-R455 IonicContact OE1-NH2 3.53Å; E451-R455 PolarHBondContact OE1-NH2 3.44Å; R455-S457 PolarHBondContact O-N 3.09Å; R455-G458 PolarHBondContact O-N 3.32Å
456	N	69.2	Low	91.9	Very high	166 Å²	166	37.3 Å²	37.3	89%	0.888	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-25.1	-171.7	-69.6	-6.3	0	0	0	115.4
457	S	85.3	Confident	91.2	Very high	21 Å²	21	42.6 Å²	42.6	15%	0.147	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	12	179.1	63.2	0	0	0	0	114.3	R424 R455 A461	R424-S457 PolarHBondContact NH1-OG 2.69Å; R455-S457 PolarHBondContact O-N 3.09Å; S457-A461 WeakPolarHBondContact O-CB 3.25Å; S457-A461 PolarHBondContact O-N 2.95Å
458	G	91.1	Very high	90	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-51.1	-177.6	0	0	0	0	0	112.1	R455 A461 L462	R455-G458 PolarHBondContact O-N 3.32Å; G458-A461 PolarHBondContact O-N 3.13Å; G458-L462 WeakPolarHBondContact O-CG 3.26Å; G458-L462 PolarHBondContact O-N 3.23Å; G458-L462 VanDerWaalsContact O-N 3.17Å
459	L	93.8	Very high	88.4	Confident	20 Å²	20	48.6 Å²	48.6	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-45.5	177.4	-66.9	170	0	0	0	111.9	A461 L462 L463 L484 L487 V497 V500	L459-A461 VanDerWaalsContact C-N 3.29Å; L459-A461 PolarHBondContact O-N 3.38Å; L459-L462 PolarHBondContact O-N 3.17Å; L459-L463 WeakPolarHBondContact O-CB 3.4Å; L459-L463 WeakPolarHBondContact O-CG 3.27Å; L459-L463 PolarHBondContact O-N 3.47Å; L459-L484 HydrophobicContact CD2-CD2 4.22Å; L459-L487 HydrophobicContact CD2-CD2 3.85Å; L459-V497 HydrophobicContact CD2-CB 4.5Å; L459-V497 HydrophobicContact CD2-CG1 4.49Å; L459-V497 HydrophobicContact CD2-CG2 3.9Å; L459-V500 HydrophobicContact CB-CG2 4.25Å; L459-V500 HydrophobicContact CD1-CG1 4.49Å; L459-V500 HydrophobicContact CD1-CG2 4.02Å
460	E	92.4	Very high	86.9	Confident	132 Å²	132	50.3 Å²	50.3	62%	0.617	26%	0.264	S	S	*	.	H	α-helix	trans	-58.2	-41.7	177.7	-65.6	179.8	169.8	0	0	112.1	L463 S464	E460-L463 PolarHBondContact O-N 3.25Å; E460-S464 WeakPolarHBondContact O-CB 3.41Å; E460-S464 PolarHBondContact O-N 3.05Å
461	A	92.8	Very high	85.3	Confident	2 Å²	2	49.7 Å²	49.7	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-43	178.8	0	0	0	0	0	111.7	I420 T423 R424 S457 G458 L459 S464 C465	I420-A461 HydrophobicContact CG2-CB 4Å; T423-A461 WeakPolarHBondContact OG1-CB 3.46Å; R424-A461 HydrophobicContact CG-CB 3.61Å; S457-A461 WeakPolarHBondContact O-CB 3.25Å; S457-A461 PolarHBondContact O-N 2.95Å; G458-A461 PolarHBondContact O-N 3.13Å; L459-A461 VanDerWaalsContact C-N 3.29Å; L459-A461 PolarHBondContact O-N 3.38Å; A461-S464 WeakPolarHBondContact O-CB 3.35Å; A461-S464 PolarHBondContact O-N 3.09Å; A461-S464 PolarHBondContact O-OG 2.96Å; A461-C465 PolarHBondContact O-SG 2.86Å; A461-C465 VanDerWaalsContact O-SG 3.36Å
462	L	94.5	Very high	84	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-65	-41.8	174.1	-66.3	178.2	0	0	0	112.1	L438 V452 G458 L459 S464 C465 L466 A483 L484 L487	L438-L462 HydrophobicContact CD1-CD2 4.12Å; V452-L462 HydrophobicContact CG1-CD1 4.15Å; G458-L462 WeakPolarHBondContact O-CG 3.26Å; G458-L462 PolarHBondContact O-N 3.23Å; G458-L462 VanDerWaalsContact O-N 3.17Å; L459-L462 PolarHBondContact O-N 3.17Å; L462-S464 VanDerWaalsContact C-N 3.28Å; L462-S464 PolarHBondContact O-N 2.82Å; L462-C465 VanDerWaalsContact O-CB 3.24Å; L462-C465 WeakPolarHBondContact O-CB 3.48Å; L462-C465 PolarHBondContact O-N 3.11Å; L462-C465 VanDerWaalsContact O-N 3.07Å; L462-L466 WeakPolarHBondContact O-CD1 3.42Å; L462-A483 HydrophobicContact CD1-CB 3.87Å; L462-A483 HydrophobicContact CD2-CB 3.71Å; L462-A483 HydrophobicContact CG-CB 4.42Å; L462-L484 HydrophobicContact CB-CD1 4.4Å; L462-L484 HydrophobicContact CB-CD2 3.89Å; L462-L484 HydrophobicContact CB-CG 3.94Å; L462-L484 HydrophobicContact CD1-CD2 4.11Å; L462-L484 HydrophobicContact CD1-CG 4.35Å; L462-L487 HydrophobicContact CD1-CD2 4.23Å
463	L	93	Very high	82.7	Confident	22 Å²	22	56.3 Å²	56.3	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-35.2	175.4	-67.2	169.3	0	0	0	111.6	L459 E460 C465 L466 H467 L484 V500 I501 L505	L459-L463 WeakPolarHBondContact O-CB 3.4Å; L459-L463 WeakPolarHBondContact O-CG 3.27Å; L459-L463 PolarHBondContact O-N 3.47Å; E460-L463 PolarHBondContact O-N 3.25Å; L463-C465 PolarHBondContact O-N 2.99Å; L463-C465 VanDerWaalsContact O-N 3.15Å; L463-L466 PolarHBondContact O-N 2.94Å; L463-L466 VanDerWaalsContact O-N 3.11Å; L463-H467 PolarHBondContact O-CE1 3.38Å; L463-H467 PolarHBondContact O-ND1 3.32Å; L463-L484 HydrophobicContact CD2-CD1 3.93Å; L463-L484 HydrophobicContact CD2-CD2 4.45Å; L463-V500 HydrophobicContact CD1-CB 4.26Å; L463-V500 HydrophobicContact CD1-CG2 4.03Å; L463-I501 HydrophobicContact CD2-CD1 3.83Å; L463-L505 HydrophobicContact CD2-CD1 3.6Å
464	S	91	Very high	82.4	Confident	35 Å²	35	58.1 Å²	58.1	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-20.4	175	89.4	0	0	0	0	113.3	K431 E460 A461 L462 L466	K431-S464 PolarHBondContact NZ-O 3.18Å; K431-S464 PolarHBondContact NZ-OG 3.37Å; K431-S464 VanDerWaalsContact NZ-OG 3.1Å; E460-S464 WeakPolarHBondContact O-CB 3.41Å; E460-S464 PolarHBondContact O-N 3.05Å; A461-S464 WeakPolarHBondContact O-CB 3.35Å; A461-S464 PolarHBondContact O-N 3.09Å; A461-S464 PolarHBondContact O-OG 2.96Å; L462-S464 VanDerWaalsContact C-N 3.28Å; L462-S464 PolarHBondContact O-N 2.82Å; S464-L466 VanDerWaalsContact C-N 3.34Å
465	C	92.1	Very high	82.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.7	177.8	-61.5	0	0	0	0	112.5	A461 L462 L463 I476 T477	A461-C465 PolarHBondContact O-SG 2.86Å; A461-C465 VanDerWaalsContact O-SG 3.36Å; L462-C465 VanDerWaalsContact O-CB 3.24Å; L462-C465 WeakPolarHBondContact O-CB 3.48Å; L462-C465 PolarHBondContact O-N 3.11Å; L462-C465 VanDerWaalsContact O-N 3.07Å; L463-C465 PolarHBondContact O-N 2.99Å; L463-C465 VanDerWaalsContact O-N 3.15Å; C465-I476 HydrophobicContact CB-CG2 3.61Å; C465-T477 PolarHBondContact O-OG1 2.79Å
466	L	91	Very high	82.6	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.042	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.7	-177.6	-82.4	62.2	0	0	0	113.6	L462 L463 S464 M468 L481 L484 L505 F506	L462-L466 WeakPolarHBondContact O-CD1 3.42Å; L463-L466 PolarHBondContact O-N 2.94Å; L463-L466 VanDerWaalsContact O-N 3.11Å; S464-L466 VanDerWaalsContact C-N 3.34Å; L466-M468 VanDerWaalsContact C-N 3.27Å; L466-M468 PolarHBondContact O-N 3.45Å; L466-L481 HydrophobicContact CD1-CD2 4.38Å; L466-L481 HydrophobicContact CD1-CG 4.3Å; L466-L481 HydrophobicContact CD2-CD2 3.79Å; L466-L481 HydrophobicContact CG-CD2 4Å; L466-L481 HydrophobicContact CG-CG 4.24Å; L466-L484 HydrophobicContact CD1-CD1 3.92Å; L466-L484 HydrophobicContact CD2-CD1 4.15Å; L466-L505 HydrophobicContact CD2-CB 4.13Å; L466-F506 HydrophobicContact CD2-CE1 4.22Å
467	H	81.4	Confident	83.8	Confident	126 Å²	126	46.2 Å²	46.2	58%	0.583	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.7	-177.2	-64.9	90.1	0	0	0	113.6	L463 L505	L463-H467 PolarHBondContact O-CE1 3.38Å; L463-H467 PolarHBondContact O-ND1 3.32Å; H467-L505 WeakPolarHBondContact CE1-CD2 3.21Å; H467-L505 VanDerWaalsContact NE2-CD2 3.34Å; H467-L505 WeakPolarHBondContact NE2-CD2 3.25Å
468	M	70.2	Confident	84.2	Confident	64 Å²	64	46.6 Å²	46.6	32%	0.315	26%	0.257	S	S	.	.			trans	-89.6	116.8	-176.8	-59.6	-59.4	-65.7	0	0	110.2	L466 I476	L466-M468 VanDerWaalsContact C-N 3.27Å; L466-M468 PolarHBondContact O-N 3.45Å; M468-I476 HydrophobicContact CG-CG2 4.28Å
469	S	63.2	Low	84.4	Confident	112 Å²	112	46.8 Å²	46.8	78%	0.783	26%	0.259	S	S	*	.			trans	-94.1	8.9	176.2	-52.6	0	0	0	0	113.3	P471	S469-P471 WeakPolarHBondContact O-CD 3.49Å
470	D	65	Low	84.5	Confident	39 Å²	39	45.8 Å²	45.8	21%	0.209	25%	0.254	C	S	.	.			trans	-85.6	115.2	-173.2	-160.2	-35.3	0	0	0	111.2	R428 E472 V473	R428-D470 IonicContact CZ-OD2 2.86Å; R428-D470 IonicContact NH1-OD2 3.03Å; R428-D470 PolarHBondContact NH1-OD2 2.9Å; R428-D470 IonicContact NH2-OD2 3.25Å; R428-D470 PolarHBondContact NH2-OD2 3.22Å; D470-E472 PolarHBondContact O-N 3.29Å; D470-E472 WeakPolarHBondContact OD1-CB 3.15Å; D470-E472 PolarHBondContact OD1-N 3.26Å; D470-V473 PolarHBondContact O-N 3.49Å
471	P	62.2	Low	84.7	Confident	101 Å²	101	39.5 Å²	39.5	66%	0.656	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-65.1	-18.7	178.7	26.7	-34.1	0	0	0	113.5	S469 V473	S469-P471 WeakPolarHBondContact O-CD 3.49Å; P471-V473 PolarHBondContact O-N 2.91Å
472	E	66.3	Low	84.9	Confident	162 Å²	162	40.8 Å²	40.8	76%	0.757	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-67.8	-19.9	178.5	-66.6	-175.9	167.4	0	0	112.6	R428 D470	R428-E472 IonicContact NH1-OE2 3.63Å; D470-E472 PolarHBondContact O-N 3.29Å; D470-E472 WeakPolarHBondContact OD1-CB 3.15Å; D470-E472 PolarHBondContact OD1-N 3.26Å
473	V	69.9	Low	85.1	Confident	22 Å²	22	40.8 Å²	40.8	13%	0.133	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-135.8	45.9	-172.4	-149.2	0	0	0	0	112.9	R428 D470 P471 S475 I476	R428-V473 HydrophobicContact CB-CG2 4.16Å; D470-V473 PolarHBondContact O-N 3.49Å; P471-V473 PolarHBondContact O-N 2.91Å; V473-S475 PolarHBondContact O-N 2.93Å; V473-I476 HydrophobicContact CB-CD1 3.95Å; V473-I476 HydrophobicContact CB-CG1 4.41Å; V473-I476 HydrophobicContact CG1-CD1 3.5Å; V473-I476 HydrophobicContact CG1-CG1 3.66Å; V473-I476 PolarHBondContact O-N 3.34Å
474	D	87.8	Confident	85.2	Confident	48 Å²	48	39.7 Å²	39.7	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-48.2	-29.6	172.9	-81.4	-26.1	0	0	0	113.6	I476 T477 V478 S514	D474-I476 VanDerWaalsContact C-N 3.28Å; D474-I476 PolarHBondContact O-N 3.29Å; D474-T477 PolarHBondContact O-N 3.41Å; D474-V478 WeakPolarHBondContact O-CB 3.5Å; D474-V478 WeakPolarHBondContact O-CG2 3.36Å; D474-V478 PolarHBondContact O-N 2.99Å; D474-S514 VanDerWaalsContact CG-CB 3.5Å; D474-S514 WeakPolarHBondContact OD2-CB 3.38Å; D474-S514 PolarHBondContact OD2-OG 3.46Å
475	S	89.5	Confident	85.6	Confident	48 Å²	48	38.7 Å²	38.7	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-31.2	179.2	51.6	0	0	0	0	114	S432 V473 G479	S432-S475 WeakPolarHBondContact OG-CB 3.43Å; S432-S475 PolarHBondContact OG-OG 3.15Å; V473-S475 PolarHBondContact O-N 2.93Å; S475-G479 PolarHBondContact O-N 2.99Å
476	I	93.4	Very high	85.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-54.1	175	-67.4	167.5	0	0	0	109.7	K431 C465 M468 V473 D474 V478 G479 G480	K431-I476 HydrophobicContact CB-CD1 4.21Å; K431-I476 HydrophobicContact CB-CG1 4.48Å; K431-I476 HydrophobicContact CD-CD1 4.36Å; K431-I476 HydrophobicContact CD-CG2 4.25Å; K431-I476 HydrophobicContact CG-CD1 4.07Å; K431-I476 HydrophobicContact CG-CG1 4.17Å; K431-I476 HydrophobicContact CG-CG2 3.99Å; C465-I476 HydrophobicContact CB-CG2 3.61Å; M468-I476 HydrophobicContact CG-CG2 4.28Å; V473-I476 HydrophobicContact CB-CD1 3.95Å; V473-I476 HydrophobicContact CB-CG1 4.41Å; V473-I476 HydrophobicContact CG1-CD1 3.5Å; V473-I476 HydrophobicContact CG1-CG1 3.66Å; V473-I476 PolarHBondContact O-N 3.34Å; D474-I476 VanDerWaalsContact C-N 3.28Å; D474-I476 PolarHBondContact O-N 3.29Å; I476-V478 VanDerWaalsContact C-N 3.34Å; I476-V478 PolarHBondContact O-N 3.04Å; I476-G479 PolarHBondContact O-N 3.36Å; I476-G480 PolarHBondContact O-N 3.36Å
477	T	93.5	Very high	86.1	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-44.1	-177.9	-56.1	0	0	0	0	110.4	C465 D474 G480 L481 T509 T517	C465-T477 PolarHBondContact O-OG1 2.79Å; D474-T477 PolarHBondContact O-N 3.41Å; T477-G480 PolarHBondContact O-N 3.14Å; T477-L481 HydrophobicContact CG2-CD1 3.92Å; T477-L481 HydrophobicContact CG2-CG 4.43Å; T477-L481 WeakPolarHBondContact O-CB 3.19Å; T477-L481 VanDerWaalsContact O-CG 3.23Å; T477-L481 WeakPolarHBondContact O-CG 3.5Å; T477-L481 PolarHBondContact O-N 3.47Å; T477-T509 HydrophobicContact CG2-CG2 3.73Å; T477-T517 HydrophobicContact CG2-CG2 3.86Å
478	V	95	Very high	86.8	Confident	30 Å²	30	33.6 Å²	33.6	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-47.7	175.5	167.1	0	0	0	0	111.5	D474 I476 G480 L481 V482 L516 K520	D474-V478 WeakPolarHBondContact O-CB 3.5Å; D474-V478 WeakPolarHBondContact O-CG2 3.36Å; D474-V478 PolarHBondContact O-N 2.99Å; I476-V478 VanDerWaalsContact C-N 3.34Å; I476-V478 PolarHBondContact O-N 3.04Å; V478-G480 PolarHBondContact O-N 3.2Å; V478-L481 PolarHBondContact O-N 3.11Å; V478-V482 HydrophobicContact CG1-CG2 4.41Å; V478-V482 WeakPolarHBondContact O-CB 2.88Å; V478-V482 VanDerWaalsContact O-CG2 3.29Å; V478-V482 WeakPolarHBondContact O-CG2 3.48Å; V478-V482 PolarHBondContact O-N 3.03Å; V478-L516 HydrophobicContact CG2-CB 4.24Å; V478-K520 HydrophobicContact CG1-CG 4.2Å
479	G	95.3	Very high	88	Confident	3 Å²	3	35.8 Å²	35.8	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-45.8	177.7	0	0	0	0	0	112.3	S475 I476 V482 A483	S475-G479 PolarHBondContact O-N 2.99Å; I476-G479 PolarHBondContact O-N 3.36Å; G479-V482 PolarHBondContact O-N 3.19Å; G479-A483 WeakPolarHBondContact O-CB 3.13Å; G479-A483 PolarHBondContact O-N 3.45Å
480	G	95.5	Very high	89.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-47.6	175.8	0	0	0	0	0	113.2	I476 T477 V478 A483 L484	I476-G480 PolarHBondContact O-N 3.36Å; T477-G480 PolarHBondContact O-N 3.14Å; V478-G480 PolarHBondContact O-N 3.2Å; G480-A483 PolarHBondContact O-N 3.48Å; G480-L484 WeakPolarHBondContact O-CB 3.42Å; G480-L484 VanDerWaalsContact O-CG 3.31Å; G480-L484 WeakPolarHBondContact O-CG 3.38Å; G480-L484 PolarHBondContact O-N 3.31Å
481	L	96.3	Very high	90.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-45.5	178.5	-73.7	167.7	0	0	0	112.1	L466 T477 V478 T485 F506 T517 K520 A521 A524	L466-L481 HydrophobicContact CD1-CD2 4.38Å; L466-L481 HydrophobicContact CD1-CG 4.3Å; L466-L481 HydrophobicContact CD2-CD2 3.79Å; L466-L481 HydrophobicContact CG-CD2 4Å; L466-L481 HydrophobicContact CG-CG 4.24Å; T477-L481 HydrophobicContact CG2-CD1 3.92Å; T477-L481 HydrophobicContact CG2-CG 4.43Å; T477-L481 WeakPolarHBondContact O-CB 3.19Å; T477-L481 VanDerWaalsContact O-CG 3.23Å; T477-L481 WeakPolarHBondContact O-CG 3.5Å; T477-L481 PolarHBondContact O-N 3.47Å; V478-L481 PolarHBondContact O-N 3.11Å; L481-T485 WeakPolarHBondContact O-CB 3.5Å; L481-T485 PolarHBondContact O-N 3.02Å; L481-T485 PolarHBondContact O-OG1 2.68Å; L481-F506 HydrophobicContact CD2-CD1 4.12Å; L481-F506 HydrophobicContact CD2-CE1 3.93Å; L481-T517 HydrophobicContact CD1-CG2 4.44Å; L481-K520 HydrophobicContact CB-CB 4.29Å; L481-K520 HydrophobicContact CD1-CB 4.27Å; L481-A521 HydrophobicContact CD1-CB 4.03Å; L481-A524 HydrophobicContact CD2-CB 3.77Å
482	V	97.5	Very high	92.5	Very high	29 Å²	29	37.9 Å²	37.9	18%	0.176	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-47	-179.5	172.8	0	0	0	0	110.8	A439 V478 G479 L484 T485 N486 K520	A439-V482 HydrophobicContact CB-CB 3.98Å; A439-V482 HydrophobicContact CB-CG1 3.86Å; V478-V482 HydrophobicContact CG1-CG2 4.41Å; V478-V482 WeakPolarHBondContact O-CB 2.88Å; V478-V482 VanDerWaalsContact O-CG2 3.29Å; V478-V482 WeakPolarHBondContact O-CG2 3.48Å; V478-V482 PolarHBondContact O-N 3.03Å; G479-V482 PolarHBondContact O-N 3.19Å; V482-L484 PolarHBondContact O-N 2.96Å; V482-T485 WeakPolarHBondContact O-CB 3.32Å; V482-T485 PolarHBondContact O-N 3.13Å; V482-N486 VanDerWaalsContact O-CG 3.3Å; V482-N486 PolarHBondContact O-N 3.3Å; V482-K520 HydrophobicContact CG2-CB 4.48Å; V482-K520 HydrophobicContact CG2-CD 3.86Å; V482-K520 HydrophobicContact CG2-CG 4.06Å
483	A	97.3	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-46.9	178	0	0	0	0	0	111.7	A439 L462 G479 G480 T485 N486 L487	A439-A483 HydrophobicContact CB-CB 4.41Å; L462-A483 HydrophobicContact CD1-CB 3.87Å; L462-A483 HydrophobicContact CD2-CB 3.71Å; L462-A483 HydrophobicContact CG-CB 4.42Å; G479-A483 WeakPolarHBondContact O-CB 3.13Å; G479-A483 PolarHBondContact O-N 3.45Å; G480-A483 PolarHBondContact O-N 3.48Å; A483-T485 VanDerWaalsContact C-N 3.3Å; A483-T485 PolarHBondContact O-N 2.95Å; A483-N486 PolarHBondContact O-N 2.68Å; A483-L487 WeakPolarHBondContact O-CD1 3.34Å; A483-L487 PolarHBondContact O-N 3.12Å
484	L	96.9	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-38.5	176.4	-72.7	169.5	0	0	0	112.4	L459 L462 L463 L466 G480 V482 L487 A488 L528	L459-L484 HydrophobicContact CD2-CD2 4.22Å; L462-L484 HydrophobicContact CB-CD1 4.4Å; L462-L484 HydrophobicContact CB-CD2 3.89Å; L462-L484 HydrophobicContact CB-CG 3.94Å; L462-L484 HydrophobicContact CD1-CD2 4.11Å; L462-L484 HydrophobicContact CD1-CG 4.35Å; L463-L484 HydrophobicContact CD2-CD1 3.93Å; L463-L484 HydrophobicContact CD2-CD2 4.45Å; L466-L484 HydrophobicContact CD1-CD1 3.92Å; L466-L484 HydrophobicContact CD2-CD1 4.15Å; G480-L484 WeakPolarHBondContact O-CB 3.42Å; G480-L484 VanDerWaalsContact O-CG 3.31Å; G480-L484 WeakPolarHBondContact O-CG 3.38Å; G480-L484 PolarHBondContact O-N 3.31Å; V482-L484 PolarHBondContact O-N 2.96Å; L484-L487 PolarHBondContact O-N 3.15Å; L484-A488 WeakPolarHBondContact O-CB 3.49Å; L484-A488 PolarHBondContact O-N 2.68Å; L484-L528 HydrophobicContact CB-CD1 4.12Å
485	T	97.6	Very high	95.4	Very high	14 Å²	14	34.7 Å²	34.7	9%	0.086	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-47.1	176.3	-56.8	0	0	0	0	111	L481 V482 A483 L487 A488 I489 A524	L481-T485 WeakPolarHBondContact O-CB 3.5Å; L481-T485 PolarHBondContact O-N 3.02Å; L481-T485 PolarHBondContact O-OG1 2.68Å; V482-T485 WeakPolarHBondContact O-CB 3.32Å; V482-T485 PolarHBondContact O-N 3.13Å; A483-T485 VanDerWaalsContact C-N 3.3Å; A483-T485 PolarHBondContact O-N 2.95Å; T485-L487 VanDerWaalsContact C-N 3.33Å; T485-L487 PolarHBondContact O-N 3.36Å; T485-A488 PolarHBondContact O-N 3.45Å; T485-I489 HydrophobicContact CG2-CD1 4.02Å; T485-I489 WeakPolarHBondContact O-CG1 3.26Å; T485-I489 PolarHBondContact O-N 3.45Å; T485-A524 WeakPolarHBondContact OG1-CA 3.4Å; T485-A524 WeakPolarHBondContact OG1-CB 3.42Å
486	N	97.6	Very high	95.6	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-44.2	176.8	-70	-17	0	0	0	111.7	A439 T442 T443 V482 A483 A488 I489 E490	A439-N486 PolarHBondContact O-ND2 3.24Å; T442-N486 PolarHBondContact OG1-ND2 2.88Å; T442-N486 VanDerWaalsContact OG1-ND2 3.13Å; T443-N486 WeakPolarHBondContact CA-ND2 3.34Å; T443-N486 PolarHBondContact N-ND2 3.25Å; T443-N486 PolarHBondContact OG1-ND2 2.86Å; V482-N486 VanDerWaalsContact O-CG 3.3Å; V482-N486 PolarHBondContact O-N 3.3Å; A483-N486 PolarHBondContact O-N 2.68Å; N486-A488 VanDerWaalsContact C-N 3.26Å; N486-A488 PolarHBondContact O-N 2.91Å; N486-I489 PolarHBondContact O-N 3.3Å; N486-E490 PolarHBondContact O-N 2.92Å
487	L	97.2	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-27.9	175.9	-92.2	69.5	0	0	0	112.8	T442 C449 V452 A453 L459 L462 A483 L484 T485 T493 V497	T442-L487 HydrophobicContact CG2-CD1 3.51Å; C449-L487 HydrophobicContact CB-CD1 4.22Å; C449-L487 HydrophobicContact CB-CG 4.25Å; V452-L487 HydrophobicContact CB-CD2 4.4Å; V452-L487 HydrophobicContact CG1-CD2 4.01Å; A453-L487 HydrophobicContact CB-CD2 3.97Å; L459-L487 HydrophobicContact CD2-CD2 3.85Å; L462-L487 HydrophobicContact CD1-CD2 4.23Å; A483-L487 WeakPolarHBondContact O-CD1 3.34Å; A483-L487 PolarHBondContact O-N 3.12Å; L484-L487 PolarHBondContact O-N 3.15Å; T485-L487 VanDerWaalsContact C-N 3.33Å; T485-L487 PolarHBondContact O-N 3.36Å; L487-T493 WeakPolarHBondContact O-CB 3.48Å; L487-T493 PolarHBondContact O-OG1 3.34Å; L487-V497 HydrophobicContact CB-CG2 3.79Å; L487-V497 HydrophobicContact CD2-CG2 4.43Å
488	A	96	Very high	95.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-85.9	-21.9	178.5	0	0	0	0	0	114.2	L484 T485 N486 R494 V497 L528	L484-A488 WeakPolarHBondContact O-CB 3.49Å; L484-A488 PolarHBondContact O-N 2.68Å; T485-A488 PolarHBondContact O-N 3.45Å; N486-A488 VanDerWaalsContact C-N 3.26Å; N486-A488 PolarHBondContact O-N 2.91Å; A488-R494 WeakPolarHBondContact O-CD 3.32Å; A488-R494 WeakPolarHBondContact O-CG 3.08Å; A488-R494 PolarHBondContact O-NH1 3.43Å; A488-V497 HydrophobicContact CB-CG1 4.26Å; A488-L528 HydrophobicContact CB-CD2 3.35Å; A488-L528 HydrophobicContact CB-CG 4.14Å
489	I	95.5	Very high	95.5	Very high	110 Å²	110	44.9 Å²	44.9	56%	0.564	23%	0.225	S	C	*	.	H	α-helix	trans	-72.6	-37.6	173.4	-70.2	166	0	0	0	110.3	T485 N486 E491	T485-I489 HydrophobicContact CG2-CD1 4.02Å; T485-I489 WeakPolarHBondContact O-CG1 3.26Å; T485-I489 PolarHBondContact O-N 3.45Å; N486-I489 PolarHBondContact O-N 3.3Å; I489-E491 PolarHBondContact O-N 3.41Å
490	E	95.1	Very high	95.4	Very high	50 Å²	50	47.5 Å²	47.5	23%	0.234	24%	0.24	C	C	.	.	S	Bend	trans	-67.8	116.8	176.7	173.4	64.6	-159.1	0	0	111.1	G446 C449 R450 N486 T492 T493 R494	G446-E490 WeakPolarHBondContact CA-OE2 3.48Å; C449-E490 HydrophobicContact CB-CB 4.19Å; C449-E490 HydrophobicContact CB-CG 4.17Å; R450-E490 IonicContact NH1-OE1 2.65Å; R450-E490 PolarHBondContact NH1-OE1 2.87Å; N486-E490 PolarHBondContact O-N 2.92Å; E490-T492 WeakPolarHBondContact CG-OG1 3.4Å; E490-T492 PolarHBondContact O-N 3.5Å; E490-T492 PolarHBondContact OE1-OG1 3.41Å; E490-T493 WeakPolarHBondContact CB-OG1 3.47Å; E490-T493 HydrophobicContact CG-CG2 4.42Å; E490-T493 WeakPolarHBondContact CG-OG1 3.38Å; E490-T493 PolarHBondContact O-N 3.1Å; E490-T493 VanDerWaalsContact O-N 3.16Å; E490-T493 PolarHBondContact O-OG1 2.68Å; E490-R494 WeakPolarHBondContact O-CB 3.43Å; E490-R494 PolarHBondContact O-N 3.41Å
491	E	94.2	Very high	95.3	Very high	167 Å²	167	48 Å²	48	78%	0.78	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.2	-172.5	-172.5	177.1	-176.5	0	0	112.7	I489 P495	I489-E491 PolarHBondContact O-N 3.41Å; E491-P495 WeakPolarHBondContact O-CD 3.3Å
492	T	95	Very high	95.1	Very high	80 Å²	80	50 Å²	50	49%	0.491	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.5	-177.2	59.6	0	0	0	0	113.8	R450 E490	R450-T492 WeakPolarHBondContact CD-OG1 3.4Å; R450-T492 VanDerWaalsContact CG-OG1 3.27Å; R450-T492 WeakPolarHBondContact CG-OG1 3.34Å; E490-T492 WeakPolarHBondContact CG-OG1 3.4Å; E490-T492 PolarHBondContact O-N 3.5Å; E490-T492 PolarHBondContact OE1-OG1 3.41Å
493	T	95	Very high	94.8	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.025	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-23.2	-179.6	45.1	0	0	0	0	113	C449 R450 A453 L487 E490 K496 V497	C449-T493 HydrophobicContact CB-CG2 4.45Å; R450-T493 HydrophobicContact CB-CG2 4.25Å; R450-T493 HydrophobicContact CG-CG2 3.8Å; A453-T493 HydrophobicContact CB-CG2 3.62Å; L487-T493 WeakPolarHBondContact O-CB 3.48Å; L487-T493 PolarHBondContact O-OG1 3.34Å; E490-T493 WeakPolarHBondContact CB-OG1 3.47Å; E490-T493 HydrophobicContact CG-CG2 4.42Å; E490-T493 WeakPolarHBondContact CG-OG1 3.38Å; E490-T493 PolarHBondContact O-N 3.1Å; E490-T493 VanDerWaalsContact O-N 3.16Å; E490-T493 PolarHBondContact O-OG1 2.68Å; T493-K496 PolarHBondContact O-N 3.22Å; T493-V497 WeakPolarHBondContact O-CG2 3.32Å; T493-V497 PolarHBondContact O-N 3.19Å; T493-V497 VanDerWaalsContact O-N 3.15Å
494	R	95.6	Very high	94.5	Very high	73 Å²	73	55 Å²	55	28%	0.275	28%	0.275	S	S	.	.	H	α-helix	trans	-45.2	-50.5	-177.2	-178.7	176.1	-174.5	74.5	8.3	113.9	A488 E490 K496 V497 L498 S527 S530	A488-R494 WeakPolarHBondContact O-CD 3.32Å; A488-R494 WeakPolarHBondContact O-CG 3.08Å; A488-R494 PolarHBondContact O-NH1 3.43Å; E490-R494 WeakPolarHBondContact O-CB 3.43Å; E490-R494 PolarHBondContact O-N 3.41Å; R494-K496 VanDerWaalsContact C-N 3.31Å; R494-K496 PolarHBondContact O-N 3.46Å; R494-V497 PolarHBondContact O-N 3.36Å; R494-L498 HydrophobicContact CG-CD1 3.76Å; R494-L498 HydrophobicContact CG-CG 4.11Å; R494-L498 VanDerWaalsContact O-CG 3.32Å; R494-L498 WeakPolarHBondContact O-CG 3.43Å; R494-L498 PolarHBondContact O-N 2.86Å; R494-S527 PolarHBondContact NH1-O 3.22Å; R494-S527 PolarHBondContact NH2-O 3.13Å; R494-S530 PolarHBondContact NH2-OG 3.34Å
495	P	94.5	Very high	94.2	Very high	88 Å²	88	55.9 Å²	55.9	57%	0.571	28%	0.279	S	S	*	.	H	α-helix	trans	-60.5	-38.5	-178	-23.6	34.3	0	0	0	113.6	E491 H499	E491-P495 WeakPolarHBondContact O-CD 3.3Å; P495-H499 WeakPolarHBondContact O-CB 3.36Å; P495-H499 PolarHBondContact O-N 3.04Å
496	K	93.2	Very high	94	Very high	119 Å²	119	55.2 Å²	55.2	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-69.6	-40.4	179.6	-66.1	-176.9	179	-178.5	0	111.7	T493 R494	T493-K496 PolarHBondContact O-N 3.22Å; R494-K496 VanDerWaalsContact C-N 3.31Å; R494-K496 PolarHBondContact O-N 3.46Å
497	V	94.8	Very high	93.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-49.6	179	-178.4	0	0	0	0	109.6	L459 L487 A488 T493 R494 H499 V500 I501 L528	L459-V497 HydrophobicContact CD2-CB 4.5Å; L459-V497 HydrophobicContact CD2-CG1 4.49Å; L459-V497 HydrophobicContact CD2-CG2 3.9Å; L487-V497 HydrophobicContact CB-CG2 3.79Å; L487-V497 HydrophobicContact CD2-CG2 4.43Å; A488-V497 HydrophobicContact CB-CG1 4.26Å; T493-V497 WeakPolarHBondContact O-CG2 3.32Å; T493-V497 PolarHBondContact O-N 3.19Å; T493-V497 VanDerWaalsContact O-N 3.15Å; R494-V497 PolarHBondContact O-N 3.36Å; V497-H499 PolarHBondContact O-N 2.85Å; V497-V500 WeakPolarHBondContact O-CG2 3.42Å; V497-V500 PolarHBondContact O-N 3.49Å; V497-I501 HydrophobicContact CG1-CG1 4.34Å; V497-I501 WeakPolarHBondContact O-CG1 3.31Å; V497-L528 HydrophobicContact CG1-CD2 3.54Å
498	L	94.3	Very high	93.6	Very high	13 Å²	13	59.1 Å²	59.1	7%	0.068	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-33.8	-179.3	-64.7	-178.7	0	0	0	112.6	R494 V500 I501 L528 E531	R494-L498 HydrophobicContact CG-CD1 3.76Å; R494-L498 HydrophobicContact CG-CG 4.11Å; R494-L498 VanDerWaalsContact O-CG 3.32Å; R494-L498 WeakPolarHBondContact O-CG 3.43Å; R494-L498 PolarHBondContact O-N 2.86Å; L498-V500 VanDerWaalsContact C-N 3.26Å; L498-V500 PolarHBondContact O-N 3.25Å; L498-I501 PolarHBondContact O-N 2.89Å; L498-L528 HydrophobicContact CD2-CD2 4.42Å; L498-L528 WeakPolarHBondContact CD2-O 3.41Å; L498-E531 HydrophobicContact CD1-CG 4.46Å
499	H	91.8	Very high	93.4	Very high	166 Å²	166	59.4 Å²	59.4	77%	0.769	30%	0.302	S	S	*	.	H	α-helix	trans	-61.5	-29.2	178.6	-175.3	66.6	0	0	0	114.2	P495 V497	P495-H499 WeakPolarHBondContact O-CB 3.36Å; P495-H499 PolarHBondContact O-N 3.04Å; V497-H499 PolarHBondContact O-N 2.85Å
500	V	92	Very high	93.4	Very high	58 Å²	58	54.1 Å²	54.1	35%	0.352	28%	0.275	S	S	.	.	H	α-helix	trans	-97.8	-4.8	-177.1	-60.6	0	0	0	0	113.7	L459 L463 V497 L498	L459-V500 HydrophobicContact CB-CG2 4.25Å; L459-V500 HydrophobicContact CD1-CG1 4.49Å; L459-V500 HydrophobicContact CD1-CG2 4.02Å; L463-V500 HydrophobicContact CD1-CB 4.26Å; L463-V500 HydrophobicContact CD1-CG2 4.03Å; V497-V500 WeakPolarHBondContact O-CG2 3.42Å; V497-V500 PolarHBondContact O-N 3.49Å; L498-V500 VanDerWaalsContact C-N 3.26Å; L498-V500 PolarHBondContact O-N 3.25Å
501	I	93	Very high	93.3	Very high	10 Å²	10	56 Å²	56	5%	0.051	29%	0.286	C	S	.	.			trans	-86.5	137.6	-173.2	-69	-77.2	0	0	0	110.9	L463 V497 L498 F506 L528 I529	L463-I501 HydrophobicContact CD2-CD1 3.83Å; V497-I501 HydrophobicContact CG1-CG1 4.34Å; V497-I501 WeakPolarHBondContact O-CG1 3.31Å; L498-I501 PolarHBondContact O-N 2.89Å; I501-F506 HydrophobicContact CD1-CZ 4.31Å; I501-F506 HydrophobicContact CG2-CE2 3.72Å; I501-F506 HydrophobicContact CG2-CZ 4.22Å; I501-L528 HydrophobicContact CD1-CD1 4.22Å; I501-L528 HydrophobicContact CD1-CD2 4.16Å; I501-L528 HydrophobicContact CG1-CD2 4.12Å; I501-L528 HydrophobicContact CG2-CB 4.36Å; I501-I529 HydrophobicContact CG2-CD1 4.11Å
502	T	92.3	Very high	93.1	Very high	44 Å²	44	49.3 Å²	49.3	27%	0.27	26%	0.258	S	S	.	.			trans	-124.4	143.2	167.7	174.4	0	0	0	0	110.4	K504 L505 Q537	T502-K504 HydrophobicContact CG2-CB 4.39Å; T502-K504 PolarHBondContact O-N 3.16Å; T502-K504 VanDerWaalsContact O-N 3.14Å; T502-L505 HydrophobicContact CG2-CD1 3.95Å; T502-L505 HydrophobicContact CG2-CG 3.83Å; T502-L505 PolarHBondContact O-N 3.03Å; T502-Q537 PolarHBondContact OG1-NE2 2.82Å; T502-Q537 PolarHBondContact OG1-OE1 3.3Å
503	A	91.5	Very high	92.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59.7	-25.1	179.7	0	0	0	0	0	113.6	L505 F506 I529 Q537 F538 L541	A503-L505 PolarHBondContact O-N 2.68Å; A503-L505 VanDerWaalsContact O-N 3.17Å; A503-F506 PolarHBondContact O-N 3.37Å; A503-I529 HydrophobicContact CB-CD1 4.3Å; A503-Q537 HydrophobicContact CB-CB 4.06Å; A503-Q537 HydrophobicContact CB-CG 3.94Å; A503-F538 HydrophobicContact CB-CB 3.67Å; A503-F538 HydrophobicContact CB-CD2 4.08Å; A503-F538 HydrophobicContact CB-CG 4.39Å; A503-L541 HydrophobicContact CB-CD1 4.01Å
504	K	92	Very high	92.7	Very high	133 Å²	133	54.1 Å²	54.1	58%	0.578	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-58.2	-28.4	179.7	-67.5	-177.2	179.2	-178.3	0	113.4	T502 F506 P508 L541	T502-K504 HydrophobicContact CG2-CB 4.39Å; T502-K504 PolarHBondContact O-N 3.16Å; T502-K504 VanDerWaalsContact O-N 3.14Å; K504-F506 VanDerWaalsContact C-N 3.29Å; K504-F506 PolarHBondContact O-N 3.19Å; K504-P508 WeakPolarHBondContact O-CD 3.47Å; K504-L541 HydrophobicContact CB-CD1 4.3Å; K504-L541 HydrophobicContact CG-CD1 3.53Å; K504-L541 HydrophobicContact CG-CD2 4.41Å
505	L	90.4	Very high	92.6	Very high	18 Å²	18	53.6 Å²	53.6	9%	0.094	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-67.8	-28.7	-177.7	-64.8	168.2	0	0	0	112.9	L463 L466 H467 T502 A503	L463-L505 HydrophobicContact CD2-CD1 3.6Å; L466-L505 HydrophobicContact CD2-CB 4.13Å; H467-L505 WeakPolarHBondContact CE1-CD2 3.21Å; H467-L505 VanDerWaalsContact NE2-CD2 3.34Å; H467-L505 WeakPolarHBondContact NE2-CD2 3.25Å; T502-L505 HydrophobicContact CG2-CD1 3.95Å; T502-L505 HydrophobicContact CG2-CG 3.83Å; T502-L505 PolarHBondContact O-N 3.03Å; A503-L505 PolarHBondContact O-N 2.68Å; A503-L505 VanDerWaalsContact O-N 3.17Å
506	F	93.4	Very high	92.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-91.3	-28.9	-169.9	-60.7	-74.1	0	0	0	113.4	L466 L481 I501 A503 K504 T509 L510 A524 V525 L528 I529 F538	L466-F506 HydrophobicContact CD2-CE1 4.22Å; L481-F506 HydrophobicContact CD2-CD1 4.12Å; L481-F506 HydrophobicContact CD2-CE1 3.93Å; I501-F506 HydrophobicContact CD1-CZ 4.31Å; I501-F506 HydrophobicContact CG2-CE2 3.72Å; I501-F506 HydrophobicContact CG2-CZ 4.22Å; A503-F506 PolarHBondContact O-N 3.37Å; K504-F506 VanDerWaalsContact C-N 3.29Å; K504-F506 PolarHBondContact O-N 3.19Å; F506-T509 WeakPolarHBondContact CA-OG1 3.48Å; F506-T509 PolarHBondContact O-N 3.19Å; F506-T509 PolarHBondContact O-OG1 3.04Å; F506-L510 WeakPolarHBondContact O-CG 3.45Å; F506-L510 PolarHBondContact O-N 3.18Å; F506-A524 HydrophobicContact CD1-CB 4.34Å; F506-A524 HydrophobicContact CE1-CB 3.77Å; F506-V525 HydrophobicContact CB-CG2 3.7Å; F506-V525 HydrophobicContact CD1-CG2 3.94Å; F506-V525 HydrophobicContact CD2-CG2 4.32Å; F506-V525 HydrophobicContact CG-CG2 3.71Å; F506-L528 HydrophobicContact CE1-CD1 3.98Å; F506-L528 HydrophobicContact CZ-CB 4.11Å; F506-L528 HydrophobicContact CZ-CD1 3.59Å; F506-L528 HydrophobicContact CZ-CG 4.48Å; F506-I529 HydrophobicContact CD2-CD1 3.86Å; F506-I529 HydrophobicContact CD2-CG1 4.18Å; F506-I529 HydrophobicContact CE2-CD1 3.73Å; F506-I529 HydrophobicContact CE2-CG1 4.21Å; F506-F538 HydrophobicContact CB-CE2 4.38Å
507	I	93.3	Very high	92.6	Very high	30 Å²	30	49.3 Å²	49.3	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-47.6	-176.3	-52.9	-60.1	0	0	0	112.3	T509 L510 N511 F538 L541	I507-T509 VanDerWaalsContact C-N 3.34Å; I507-T509 PolarHBondContact O-N 3.05Å; I507-L510 PolarHBondContact O-N 2.96Å; I507-N511 PolarHBondContact O-N 3.02Å; I507-N511 PolarHBondContact O-ND2 3.38Å; I507-F538 HydrophobicContact CD1-CD2 4.17Å; I507-F538 HydrophobicContact CD1-CE2 3.89Å; I507-L541 HydrophobicContact CD1-CB 4.27Å; I507-L541 HydrophobicContact CG1-CB 4.11Å
508	P	92.3	Very high	92.7	Very high	78 Å²	78	50.8 Å²	50.8	51%	0.506	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-39.9	176.6	-22	34.9	0	0	0	112.6	K504 N511 S512	K504-P508 WeakPolarHBondContact O-CD 3.47Å; P508-N511 CarbonylContact O-C 3.57Å; P508-N511 PolarHBondContact O-N 3.26Å; P508-S512 PolarHBondContact O-N 3.21Å; P508-S512 VanDerWaalsContact O-N 3.16Å
509	T	93.1	Very high	92.8	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-35.1	-178.2	65.1	0	0	0	0	113.1	T477 F506 I507 N511 S512 A521	T477-T509 HydrophobicContact CG2-CG2 3.73Å; F506-T509 WeakPolarHBondContact CA-OG1 3.48Å; F506-T509 PolarHBondContact O-N 3.19Å; F506-T509 PolarHBondContact O-OG1 3.04Å; I507-T509 VanDerWaalsContact C-N 3.34Å; I507-T509 PolarHBondContact O-N 3.05Å; T509-N511 VanDerWaalsContact C-N 3.3Å; T509-N511 PolarHBondContact O-N 3.29Å; T509-S512 WeakPolarHBondContact O-CB 3.39Å; T509-S512 PolarHBondContact O-N 3.44Å; T509-A521 VanDerWaalsContact OG1-CB 3.25Å; T509-A521 WeakPolarHBondContact OG1-CB 3.5Å
510	L	94.8	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.1	-31.3	174.2	-69.3	172.3	0	0	0	111.9	F506 I507 A521 A522 V525 F538 L547 L550	F506-L510 WeakPolarHBondContact O-CG 3.45Å; F506-L510 PolarHBondContact O-N 3.18Å; I507-L510 PolarHBondContact O-N 2.96Å; L510-A521 HydrophobicContact CD2-CB 3.82Å; L510-A521 HydrophobicContact CG-CB 4.27Å; L510-A522 HydrophobicContact CD2-CB 4.24Å; L510-V525 HydrophobicContact CD1-CG2 4.26Å; L510-V525 HydrophobicContact CD2-CG2 4.49Å; L510-F538 HydrophobicContact CD1-CE2 3.89Å; L510-F538 HydrophobicContact CD1-CZ 3.75Å; L510-L547 HydrophobicContact CD1-CD2 4.28Å; L510-L547 HydrophobicContact CD1-CG 4.46Å; L510-L547 HydrophobicContact CD2-CD2 3.91Å; L510-L550 HydrophobicContact CB-CD1 4.21Å; L510-L550 HydrophobicContact CD2-CD1 3.72Å
511	N	92.7	Very high	93.2	Very high	88 Å²	88	43.4 Å²	43.4	47%	0.471	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9.2	179.1	-62.6	-30.7	0	0	0	113.1	I507 P508 T509 S546	I507-N511 PolarHBondContact O-N 3.02Å; I507-N511 PolarHBondContact O-ND2 3.38Å; P508-N511 CarbonylContact O-C 3.57Å; P508-N511 PolarHBondContact O-N 3.26Å; T509-N511 VanDerWaalsContact C-N 3.3Å; T509-N511 PolarHBondContact O-N 3.29Å; N511-S546 PolarHBondContact ND2-OG 2.92Å; N511-S546 WeakPolarHBondContact OD1-CB 3.45Å; N511-S546 PolarHBondContact OD1-OG 3.2Å
512	S	91.1	Very high	93.5	Very high	28 Å²	28	42.9 Å²	42.9	20%	0.196	23%	0.23	C	C	.	.			trans	-64.1	153.5	175.4	176.3	0	0	0	0	111.4	P508 T509 S514 Q518	P508-S512 PolarHBondContact O-N 3.21Å; P508-S512 VanDerWaalsContact O-N 3.16Å; T509-S512 WeakPolarHBondContact O-CB 3.39Å; T509-S512 PolarHBondContact O-N 3.44Å; S512-S514 PolarHBondContact O-N 3.49Å; S512-S514 PolarHBondContact OG-N 3.11Å; S512-S514 VanDerWaalsContact OG-N 3.13Å; S512-Q518 WeakPolarHBondContact O-CG 3.34Å; S512-Q518 PolarHBondContact O-NE2 3.46Å
513	N	90.1	Very high	93.7	Very high	166 Å²	166	42.6 Å²	42.6	89%	0.888	23%	0.227	S	C	*	.	S	Bend	trans	-76.8	-12.4	171.9	-68.1	-35.8	0	0	0	113
514	S	91.3	Very high	94	Very high	18 Å²	18	42.6 Å²	42.6	13%	0.126	23%	0.227	C	C	.	.			trans	-85.1	118.2	-176.1	-173.3	0	0	0	0	111.6	D474 S512 L516 T517 Q518	D474-S514 VanDerWaalsContact CG-CB 3.5Å; D474-S514 WeakPolarHBondContact OD2-CB 3.38Å; D474-S514 PolarHBondContact OD2-OG 3.46Å; S512-S514 PolarHBondContact O-N 3.49Å; S512-S514 PolarHBondContact OG-N 3.11Å; S512-S514 VanDerWaalsContact OG-N 3.13Å; S514-L516 PolarHBondContact O-N 3.17Å; S514-T517 WeakPolarHBondContact CB-OG1 3.34Å; S514-T517 PolarHBondContact O-N 3.05Å; S514-T517 PolarHBondContact OG-OG1 3.13Å; S514-Q518 WeakPolarHBondContact O-CG 3.41Å; S514-Q518 PolarHBondContact O-N 3.18Å
515	V	93.9	Very high	94.3	Very high	62 Å²	62	36.3 Å²	36.3	38%	0.376	20%	0.199	S	C	.	.	H	α-helix	trans	-54.6	-42	176.2	173.4	0	0	0	0	111.2	S519 N555 V558	V515-S519 WeakPolarHBondContact O-CB 3.28Å; V515-S519 PolarHBondContact O-N 3.5Å; V515-S519 PolarHBondContact O-OG 3.09Å; V515-N555 HydrophobicContact CG1-CB 4.15Å; V515-N555 VanDerWaalsContact CG1-ND2 3.28Å; V515-N555 WeakPolarHBondContact CG1-ND2 3.28Å; V515-V558 HydrophobicContact CB-CG2 4.36Å; V515-V558 HydrophobicContact CG1-CG2 3.68Å; V515-V558 VanDerWaalsContact O-CG2 3.32Å; V515-V558 WeakPolarHBondContact O-CG2 3.25Å
516	L	93.4	Very high	94.6	Very high	114 Å²	114	35.9 Å²	35.9	60%	0.597	20%	0.199	S	C	*	.	H	α-helix	trans	-64.5	-50	178.8	-69.5	177.3	0	0	0	110.5	V478 S514 Q518 S519 K520	V478-L516 HydrophobicContact CG2-CB 4.24Å; S514-L516 PolarHBondContact O-N 3.17Å; L516-Q518 PolarHBondContact O-N 3.09Å; L516-S519 PolarHBondContact O-N 3.49Å; L516-S519 PolarHBondContact O-OG 3.2Å; L516-K520 WeakPolarHBondContact O-CG 3.4Å; L516-K520 PolarHBondContact O-N 3.42Å
517	T	94.2	Very high	94.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-48	177.9	-56.8	0	0	0	0	111.8	T477 L481 S514 S519 K520 A521	T477-T517 HydrophobicContact CG2-CG2 3.86Å; L481-T517 HydrophobicContact CD1-CG2 4.44Å; S514-T517 WeakPolarHBondContact CB-OG1 3.34Å; S514-T517 PolarHBondContact O-N 3.05Å; S514-T517 PolarHBondContact OG-OG1 3.13Å; T517-S519 PolarHBondContact O-N 2.97Å; T517-K520 PolarHBondContact O-N 3.41Å; T517-A521 WeakPolarHBondContact O-CB 3.37Å; T517-A521 PolarHBondContact O-N 3.36Å
518	Q	95.4	Very high	94.9	Very high	32 Å²	32	35 Å²	35	15%	0.15	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-48	177.4	-72	179.2	-16.7	0	0	112	S512 S514 L516 K520 A521 A522 L550 V558	S512-Q518 WeakPolarHBondContact O-CG 3.34Å; S512-Q518 PolarHBondContact O-NE2 3.46Å; S514-Q518 WeakPolarHBondContact O-CG 3.41Å; S514-Q518 PolarHBondContact O-N 3.18Å; L516-Q518 PolarHBondContact O-N 3.09Å; Q518-K520 PolarHBondContact O-N 3.19Å; Q518-A521 PolarHBondContact O-N 3.38Å; Q518-A522 PolarHBondContact O-N 3.04Å; Q518-L550 HydrophobicContact CB-CD2 4.22Å; Q518-L550 HydrophobicContact CG-CD2 3.98Å; Q518-V558 HydrophobicContact CB-CG1 4.1Å; Q518-V558 HydrophobicContact CB-CG2 3.99Å
519	S	96.8	Very high	95.2	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-42.3	-178.6	73	0	0	0	0	111.8	V515 L516 T517 L523 S561	V515-S519 WeakPolarHBondContact O-CB 3.28Å; V515-S519 PolarHBondContact O-N 3.5Å; V515-S519 PolarHBondContact O-OG 3.09Å; L516-S519 PolarHBondContact O-N 3.49Å; L516-S519 PolarHBondContact O-OG 3.2Å; T517-S519 PolarHBondContact O-N 2.97Å; S519-L523 WeakPolarHBondContact O-CG 3.48Å; S519-L523 PolarHBondContact O-N 3.33Å; S519-S561 WeakPolarHBondContact O-CB 3.47Å; S519-S561 PolarHBondContact O-OG 3.24Å
520	K	96.9	Very high	95.2	Very high	72 Å²	72	33.5 Å²	33.5	31%	0.313	19%	0.187	S	C	.	.	H	α-helix	trans	-75.1	-34.7	179.1	-61.8	-52.7	-174.9	179.4	0	112.4	V478 L481 V482 L516 T517 Q518 L523 A524	V478-K520 HydrophobicContact CG1-CG 4.2Å; L481-K520 HydrophobicContact CB-CB 4.29Å; L481-K520 HydrophobicContact CD1-CB 4.27Å; V482-K520 HydrophobicContact CG2-CB 4.48Å; V482-K520 HydrophobicContact CG2-CD 3.86Å; V482-K520 HydrophobicContact CG2-CG 4.06Å; L516-K520 WeakPolarHBondContact O-CG 3.4Å; L516-K520 PolarHBondContact O-N 3.42Å; T517-K520 PolarHBondContact O-N 3.41Å; Q518-K520 PolarHBondContact O-N 3.19Å; K520-L523 HydrophobicContact CD-CD1 4.14Å; K520-L523 PolarHBondContact O-N 3.07Å; K520-A524 WeakPolarHBondContact O-CB 3.32Å; K520-A524 PolarHBondContact O-N 3.26Å
521	A	96.4	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-43.9	174.3	0	0	0	0	0	111.4	L481 T509 L510 T517 Q518 A524 V525	L481-A521 HydrophobicContact CD1-CB 4.03Å; T509-A521 VanDerWaalsContact OG1-CB 3.25Å; T509-A521 WeakPolarHBondContact OG1-CB 3.5Å; L510-A521 HydrophobicContact CD2-CB 3.82Å; L510-A521 HydrophobicContact CG-CB 4.27Å; T517-A521 WeakPolarHBondContact O-CB 3.37Å; T517-A521 PolarHBondContact O-N 3.36Å; Q518-A521 PolarHBondContact O-N 3.38Å; A521-A524 WeakPolarHBondContact O-CB 3.49Å; A521-A524 PolarHBondContact O-N 3.39Å; A521-V525 WeakPolarHBondContact O-CG2 3.4Å; A521-V525 PolarHBondContact O-N 3.31Å
522	A	97.8	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-40.3	176.6	0	0	0	0	0	112.5	L510 Q518 A524 V525 A526 L547 A562 A565	L510-A522 HydrophobicContact CD2-CB 4.24Å; Q518-A522 PolarHBondContact O-N 3.04Å; A522-A524 VanDerWaalsContact C-N 3.34Å; A522-A524 PolarHBondContact O-N 2.73Å; A522-V525 PolarHBondContact O-N 3.27Å; A522-A526 PolarHBondContact O-N 3.18Å; A522-L547 HydrophobicContact CB-CD2 4.39Å; A522-A562 HydrophobicContact CB-CB 4.37Å; A522-A565 HydrophobicContact CB-CB 4.45Å; A522-A565 WeakPolarHBondContact O-CB 3.34Å
523	L	97.7	Very high	95.3	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.199	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-40.7	173.3	-65.2	177.6	0	0	0	112.4	S519 K520 A526 S527 S561 W564	S519-L523 WeakPolarHBondContact O-CG 3.48Å; S519-L523 PolarHBondContact O-N 3.33Å; K520-L523 HydrophobicContact CD-CD1 4.14Å; K520-L523 PolarHBondContact O-N 3.07Å; L523-A526 WeakPolarHBondContact O-CB 3.42Å; L523-A526 PolarHBondContact O-N 3.39Å; L523-S527 PolarHBondContact O-N 2.96Å; L523-S527 PolarHBondContact O-OG 3.41Å; L523-S527 VanDerWaalsContact O-OG 3.08Å; L523-S561 WeakPolarHBondContact CD2-OG 3.43Å; L523-S561 WeakPolarHBondContact CG-OG 3.36Å; L523-W564 HydrophobicContact CD2-CD2 4.44Å; L523-W564 HydrophobicContact CD2-CE3 3.28Å; L523-W564 HydrophobicContact CD2-CZ3 3.47Å; L523-W564 VanDerWaalsContact CD2-CZ3 3.47Å
524	A	97.7	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-46	176.3	0	0	0	0	0	110.5	L481 T485 F506 K520 A521 A522 A526 S527 L528	L481-A524 HydrophobicContact CD2-CB 3.77Å; T485-A524 WeakPolarHBondContact OG1-CA 3.4Å; T485-A524 WeakPolarHBondContact OG1-CB 3.42Å; F506-A524 HydrophobicContact CD1-CB 4.34Å; F506-A524 HydrophobicContact CE1-CB 3.77Å; K520-A524 WeakPolarHBondContact O-CB 3.32Å; K520-A524 PolarHBondContact O-N 3.26Å; A521-A524 WeakPolarHBondContact O-CB 3.49Å; A521-A524 PolarHBondContact O-N 3.39Å; A522-A524 VanDerWaalsContact C-N 3.34Å; A522-A524 PolarHBondContact O-N 2.73Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-A526 PolarHBondContact O-N 3.17Å; A524-S527 PolarHBondContact O-N 3.36Å; A524-S527 VanDerWaalsContact O-N 3.12Å; A524-L528 HydrophobicContact CB-CD1 3.93Å; A524-L528 WeakPolarHBondContact O-CB 3.39Å; A524-L528 WeakPolarHBondContact O-CG 3.25Å; A524-L528 PolarHBondContact O-N 2.94Å
525	V	97.9	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-45.2	174.4	169.6	0	0	0	0	111.5	F506 L510 A521 A522 S527 L528 I529 F538 L547 A565 L569	F506-V525 HydrophobicContact CB-CG2 3.7Å; F506-V525 HydrophobicContact CD1-CG2 3.94Å; F506-V525 HydrophobicContact CD2-CG2 4.32Å; F506-V525 HydrophobicContact CG-CG2 3.71Å; L510-V525 HydrophobicContact CD1-CG2 4.26Å; L510-V525 HydrophobicContact CD2-CG2 4.49Å; A521-V525 WeakPolarHBondContact O-CG2 3.4Å; A521-V525 PolarHBondContact O-N 3.31Å; A522-V525 PolarHBondContact O-N 3.27Å; V525-S527 PolarHBondContact O-N 3.05Å; V525-S527 VanDerWaalsContact O-N 3.13Å; V525-L528 PolarHBondContact O-N 3.37Å; V525-I529 HydrophobicContact CB-CG1 4.42Å; V525-I529 HydrophobicContact CG1-CB 4.22Å; V525-I529 HydrophobicContact CG1-CG1 4.07Å; V525-I529 HydrophobicContact CG2-CG1 4.41Å; V525-I529 WeakPolarHBondContact O-CB 3.39Å; V525-I529 PolarHBondContact O-N 3.08Å; V525-F538 HydrophobicContact CG1-CE1 4.3Å; V525-F538 HydrophobicContact CG1-CE2 4.18Å; V525-F538 HydrophobicContact CG1-CZ 3.9Å; V525-F538 HydrophobicContact CG2-CE2 4.02Å; V525-F538 HydrophobicContact CG2-CZ 4.3Å; V525-L547 HydrophobicContact CG1-CD1 4.36Å; V525-A565 HydrophobicContact CB-CB 4.44Å; V525-A565 HydrophobicContact CG1-CB 4.19Å; V525-L569 HydrophobicContact CG1-CD1 3.99Å
526	A	97.4	Very high	95.8	Very high	10 Å²	10	35 Å²	35	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-27.4	178.9	0	0	0	0	0	113.6	A522 L523 A524 W564 A565 S568	A522-A526 PolarHBondContact O-N 3.18Å; L523-A526 WeakPolarHBondContact O-CB 3.42Å; L523-A526 PolarHBondContact O-N 3.39Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-A526 PolarHBondContact O-N 3.17Å; A526-W564 HydrophobicContact CB-CD2 4.01Å; A526-W564 HydrophobicContact CB-CG 4.1Å; A526-A565 HydrophobicContact CB-CB 4.2Å; A526-S568 PolarHBondContact O-OG 2.82Å
527	S	96.2	Very high	96	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-101.1	-33.7	-175.3	-54.5	0	0	0	0	113.5	R494 L523 A524 V525	R494-S527 PolarHBondContact NH1-O 3.22Å; R494-S527 PolarHBondContact NH2-O 3.13Å; L523-S527 PolarHBondContact O-N 2.96Å; L523-S527 PolarHBondContact O-OG 3.41Å; L523-S527 VanDerWaalsContact O-OG 3.08Å; A524-S527 PolarHBondContact O-N 3.36Å; A524-S527 VanDerWaalsContact O-N 3.12Å; V525-S527 PolarHBondContact O-N 3.05Å; V525-S527 VanDerWaalsContact O-N 3.13Å
528	L	97	Very high	96.1	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-103.2	-27	-169.2	-64.5	164.7	0	0	0	113.7	L484 A488 V497 L498 I501 F506 A524 V525 S530	L484-L528 HydrophobicContact CB-CD1 4.12Å; A488-L528 HydrophobicContact CB-CD2 3.35Å; A488-L528 HydrophobicContact CB-CG 4.14Å; V497-L528 HydrophobicContact CG1-CD2 3.54Å; L498-L528 HydrophobicContact CD2-CD2 4.42Å; L498-L528 WeakPolarHBondContact CD2-O 3.41Å; I501-L528 HydrophobicContact CD1-CD1 4.22Å; I501-L528 HydrophobicContact CD1-CD2 4.16Å; I501-L528 HydrophobicContact CG1-CD2 4.12Å; I501-L528 HydrophobicContact CG2-CB 4.36Å; F506-L528 HydrophobicContact CE1-CD1 3.98Å; F506-L528 HydrophobicContact CZ-CB 4.11Å; F506-L528 HydrophobicContact CZ-CD1 3.59Å; F506-L528 HydrophobicContact CZ-CG 4.48Å; A524-L528 HydrophobicContact CB-CD1 3.93Å; A524-L528 WeakPolarHBondContact O-CB 3.39Å; A524-L528 WeakPolarHBondContact O-CG 3.25Å; A524-L528 PolarHBondContact O-N 2.94Å; V525-L528 PolarHBondContact O-N 3.37Å; L528-S530 PolarHBondContact O-N 3.31Å
529	I	96.6	Very high	96.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.165	C	C	.	.			trans	-97	81.9	177.3	-54.2	-60.5	0	0	0	108.3	I501 A503 F506 V525 V535 F538 L569	I501-I529 HydrophobicContact CG2-CD1 4.11Å; A503-I529 HydrophobicContact CB-CD1 4.3Å; F506-I529 HydrophobicContact CD2-CD1 3.86Å; F506-I529 HydrophobicContact CD2-CG1 4.18Å; F506-I529 HydrophobicContact CE2-CD1 3.73Å; F506-I529 HydrophobicContact CE2-CG1 4.21Å; V525-I529 HydrophobicContact CB-CG1 4.42Å; V525-I529 HydrophobicContact CG1-CB 4.22Å; V525-I529 HydrophobicContact CG1-CG1 4.07Å; V525-I529 HydrophobicContact CG2-CG1 4.41Å; V525-I529 WeakPolarHBondContact O-CB 3.39Å; V525-I529 PolarHBondContact O-N 3.08Å; I529-V535 HydrophobicContact CG2-CB 4.5Å; I529-V535 HydrophobicContact CG2-CG2 3.98Å; I529-F538 HydrophobicContact CG1-CD2 4.39Å; I529-F538 HydrophobicContact CG2-CB 3.9Å; I529-F538 HydrophobicContact CG2-CG 4.2Å; I529-L569 HydrophobicContact CB-CD2 4.06Å; I529-L569 HydrophobicContact CG2-CD2 3.56Å
530	S	93.6	Very high	96.1	Very high	50 Å²	50	37.9 Å²	37.9	35%	0.35	19%	0.194	S	C	.	.			trans	-127.5	-22.7	-178.5	65.5	0	0	0	0	114.7	R494 L528	R494-S530 PolarHBondContact NH2-OG 3.34Å; L528-S530 PolarHBondContact O-N 3.31Å
531	E	93.5	Very high	96	Very high	83 Å²	83	37.8 Å²	37.8	39%	0.388	20%	0.197	S	C	.	.	S	Bend	trans	-78.7	139.1	-179.9	-68.8	-60.6	128.8	0	0	110.4	L498 H533 T534 V535	L498-E531 HydrophobicContact CD1-CG 4.46Å; E531-H533 VanDerWaalsContact C-N 3.27Å; E531-H533 VanDerWaalsContact CB-CE1 3.45Å; E531-H533 WeakPolarHBondContact CB-CE1 3.42Å; E531-H533 PolarHBondContact O-N 3.25Å; E531-H533 VanDerWaalsContact O-N 3.1Å; E531-T534 HydrophobicContact CB-CG2 4.26Å; E531-T534 PolarHBondContact N-OG1 2.82Å; E531-T534 WeakPolarHBondContact O-CA 3.47Å; E531-T534 PolarHBondContact O-N 2.89Å; E531-T534 PolarHBondContact O-OG1 3.35Å; E531-V535 WeakPolarHBondContact O-CG2 3.43Å; E531-V535 PolarHBondContact O-N 3.39Å
532	P	93.2	Very high	96	Very high	83 Å²	83	39.1 Å²	39.1	54%	0.539	21%	0.21	S	C	.	.	H	α-helix	trans	-50.7	-42.7	-174.6	-30	34.8	0	0	0	114.2	T534 V535 Q536	P532-T534 PolarHBondContact O-N 3.2Å; P532-V535 PolarHBondContact O-N 3.2Å; P532-Q536 WeakPolarHBondContact O-CB 3.41Å; P532-Q536 PolarHBondContact O-N 2.81Å
533	H	94.2	Very high	96	Very high	118 Å²	118	39.1 Å²	39.1	55%	0.546	21%	0.21	S	C	.	.	H	α-helix	trans	-65.5	-38.3	177.8	71.4	-82.3	0	0	0	113	E531 Q537	E531-H533 VanDerWaalsContact C-N 3.27Å; E531-H533 VanDerWaalsContact CB-CE1 3.45Å; E531-H533 WeakPolarHBondContact CB-CE1 3.42Å; E531-H533 PolarHBondContact O-N 3.25Å; E531-H533 VanDerWaalsContact O-N 3.1Å; H533-Q537 WeakPolarHBondContact O-CB 3.39Å; H533-Q537 PolarHBondContact O-N 3.47Å
534	T	95.1	Very high	95.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-71.8	-37.3	176.4	61.9	0	0	0	0	112.2	E531 P532 Q537 F538	E531-T534 HydrophobicContact CB-CG2 4.26Å; E531-T534 PolarHBondContact N-OG1 2.82Å; E531-T534 WeakPolarHBondContact O-CA 3.47Å; E531-T534 PolarHBondContact O-N 2.89Å; E531-T534 PolarHBondContact O-OG1 3.35Å; P532-T534 PolarHBondContact O-N 3.2Å; T534-Q537 PolarHBondContact O-N 2.65Å; T534-F538 WeakPolarHBondContact O-CB 3.26Å; T534-F538 PolarHBondContact O-N 2.84Å
535	V	96.4	Very high	95.9	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-49.5	175.1	175.7	0	0	0	0	109.5	I529 E531 P532 Q537 F538 V539 L569 D572 A575	I529-V535 HydrophobicContact CG2-CB 4.5Å; I529-V535 HydrophobicContact CG2-CG2 3.98Å; E531-V535 WeakPolarHBondContact O-CG2 3.43Å; E531-V535 PolarHBondContact O-N 3.39Å; P532-V535 PolarHBondContact O-N 3.2Å; V535-Q537 VanDerWaalsContact C-N 3.3Å; V535-Q537 PolarHBondContact O-N 3.36Å; V535-F538 WeakPolarHBondContact O-CB 3.44Å; V535-F538 PolarHBondContact O-N 3.18Å; V535-F538 VanDerWaalsContact O-N 3.09Å; V535-V539 HydrophobicContact CG1-CG2 4.34Å; V535-V539 VanDerWaalsContact O-CG2 3.28Å; V535-V539 WeakPolarHBondContact O-CG2 3.43Å; V535-V539 PolarHBondContact O-N 3.21Å; V535-L569 HydrophobicContact CG1-CD2 4.34Å; V535-L569 HydrophobicContact CG2-CD2 4.18Å; V535-D572 HydrophobicContact CG1-CB 3.8Å; V535-A575 HydrophobicContact CG1-CB 3.8Å
536	Q	95.5	Very high	95.8	Very high	103 Å²	103	40 Å²	40	48%	0.481	22%	0.22	S	C	.	.	H	α-helix	trans	-57.4	-43.9	176.3	-171.4	-179.8	14.3	0	0	111.7	P532 F538 V539 Q540	P532-Q536 WeakPolarHBondContact O-CB 3.41Å; P532-Q536 PolarHBondContact O-N 2.81Å; Q536-F538 PolarHBondContact O-N 3.02Å; Q536-V539 PolarHBondContact O-N 3.04Å; Q536-Q540 WeakPolarHBondContact O-CB 3.49Å; Q536-Q540 VanDerWaalsContact O-CG 3.31Å; Q536-Q540 WeakPolarHBondContact O-CG 3.48Å; Q536-Q540 PolarHBondContact O-N 3.42Å
537	Q	96.2	Very high	95.9	Very high	55 Å²	55	39.6 Å²	39.6	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-44.1	175	-169.7	-176.2	50.1	0	0	111.8	T502 A503 H533 T534 V535 V539 Q540 L541	T502-Q537 PolarHBondContact OG1-NE2 2.82Å; T502-Q537 PolarHBondContact OG1-OE1 3.3Å; A503-Q537 HydrophobicContact CB-CB 4.06Å; A503-Q537 HydrophobicContact CB-CG 3.94Å; H533-Q537 WeakPolarHBondContact O-CB 3.39Å; H533-Q537 PolarHBondContact O-N 3.47Å; T534-Q537 PolarHBondContact O-N 2.65Å; V535-Q537 VanDerWaalsContact C-N 3.3Å; V535-Q537 PolarHBondContact O-N 3.36Å; Q537-V539 VanDerWaalsContact C-N 3.34Å; Q537-V539 PolarHBondContact O-N 3.28Å; Q537-Q540 PolarHBondContact O-N 3.01Å; Q537-L541 HydrophobicContact CG-CD1 3.97Å; Q537-L541 WeakPolarHBondContact O-CB 3.41Å; Q537-L541 WeakPolarHBondContact O-CD1 3.43Å; Q537-L541 VanDerWaalsContact O-CG 3.22Å; Q537-L541 WeakPolarHBondContact O-CG 3.49Å; Q537-L541 PolarHBondContact O-N 3.19Å
538	F	97.3	Very high	95.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-39.9	178.4	-174.5	-98.4	0	0	0	112.2	A503 F506 I507 L510 V525 I529 T534 V535 Q536 L541 G543 L544 L547 L569	A503-F538 HydrophobicContact CB-CB 3.67Å; A503-F538 HydrophobicContact CB-CD2 4.08Å; A503-F538 HydrophobicContact CB-CG 4.39Å; F506-F538 HydrophobicContact CB-CE2 4.38Å; I507-F538 HydrophobicContact CD1-CD2 4.17Å; I507-F538 HydrophobicContact CD1-CE2 3.89Å; L510-F538 HydrophobicContact CD1-CE2 3.89Å; L510-F538 HydrophobicContact CD1-CZ 3.75Å; V525-F538 HydrophobicContact CG1-CE1 4.3Å; V525-F538 HydrophobicContact CG1-CE2 4.18Å; V525-F538 HydrophobicContact CG1-CZ 3.9Å; V525-F538 HydrophobicContact CG2-CE2 4.02Å; V525-F538 HydrophobicContact CG2-CZ 4.3Å; I529-F538 HydrophobicContact CG1-CD2 4.39Å; I529-F538 HydrophobicContact CG2-CB 3.9Å; I529-F538 HydrophobicContact CG2-CG 4.2Å; T534-F538 WeakPolarHBondContact O-CB 3.26Å; T534-F538 PolarHBondContact O-N 2.84Å; V535-F538 WeakPolarHBondContact O-CB 3.44Å; V535-F538 PolarHBondContact O-N 3.18Å; V535-F538 VanDerWaalsContact O-N 3.09Å; Q536-F538 PolarHBondContact O-N 3.02Å; F538-L541 PolarHBondContact O-N 2.71Å; F538-G543 VanDerWaalsContact CE1-CA 3.48Å; F538-G543 VanDerWaalsContact CZ-CA 3.46Å; F538-G543 WeakPolarHBondContact O-CA 3.45Å; F538-G543 PolarHBondContact O-N 3Å; F538-L544 HydrophobicContact CE1-CD2 4.46Å; F538-L547 HydrophobicContact CE1-CD1 3.79Å; F538-L547 HydrophobicContact CE1-CG 4.43Å; F538-L547 HydrophobicContact CZ-CD1 3.94Å; F538-L547 HydrophobicContact CZ-CG 4.23Å; F538-L569 HydrophobicContact CD1-CD1 3.89Å; F538-L569 HydrophobicContact CD1-CD2 4.43Å; F538-L569 HydrophobicContact CE1-CD1 3.56Å; F538-L569 HydrophobicContact CZ-CD1 4.46Å
539	V	96.5	Very high	95.8	Very high	22 Å²	22	44.7 Å²	44.7	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-49.9	174.2	174.3	0	0	0	0	110.8	V535 Q536 Q537 L541 G542 L544 A575 T578	V535-V539 HydrophobicContact CG1-CG2 4.34Å; V535-V539 VanDerWaalsContact O-CG2 3.28Å; V535-V539 WeakPolarHBondContact O-CG2 3.43Å; V535-V539 PolarHBondContact O-N 3.21Å; Q536-V539 PolarHBondContact O-N 3.04Å; Q537-V539 VanDerWaalsContact C-N 3.34Å; Q537-V539 PolarHBondContact O-N 3.28Å; V539-L541 PolarHBondContact O-N 3.1Å; V539-G542 PolarHBondContact O-N 2.95Å; V539-L544 HydrophobicContact CG1-CD1 4.35Å; V539-L544 HydrophobicContact CG2-CD1 3.83Å; V539-L544 HydrophobicContact CG2-CG 4.14Å; V539-A575 HydrophobicContact CG2-CB 4.05Å; V539-T578 HydrophobicContact CG1-CG2 3.72Å
540	Q	95.5	Very high	95.8	Very high	143 Å²	143	45.1 Å²	45.1	67%	0.668	25%	0.245	S	C	*	.	H	α-helix	trans	-59.9	-32.7	179.2	-74.7	173	-3.7	0	0	113.2	Q536 Q537 G542	Q536-Q540 WeakPolarHBondContact O-CB 3.49Å; Q536-Q540 VanDerWaalsContact O-CG 3.31Å; Q536-Q540 WeakPolarHBondContact O-CG 3.48Å; Q536-Q540 PolarHBondContact O-N 3.42Å; Q537-Q540 PolarHBondContact O-N 3.01Å; Q540-G542 PolarHBondContact O-N 3.42Å
541	L	95.5	Very high	95.9	Very high	69 Å²	69	42.7 Å²	42.7	36%	0.361	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.1	177.7	-66.3	169.2	0	0	0	113.7	A503 K504 I507 Q537 F538 V539 G543	A503-L541 HydrophobicContact CB-CD1 4.01Å; K504-L541 HydrophobicContact CB-CD1 4.3Å; K504-L541 HydrophobicContact CG-CD1 3.53Å; K504-L541 HydrophobicContact CG-CD2 4.41Å; I507-L541 HydrophobicContact CD1-CB 4.27Å; I507-L541 HydrophobicContact CG1-CB 4.11Å; Q537-L541 HydrophobicContact CG-CD1 3.97Å; Q537-L541 WeakPolarHBondContact O-CB 3.41Å; Q537-L541 WeakPolarHBondContact O-CD1 3.43Å; Q537-L541 VanDerWaalsContact O-CG 3.22Å; Q537-L541 WeakPolarHBondContact O-CG 3.49Å; Q537-L541 PolarHBondContact O-N 3.19Å; F538-L541 PolarHBondContact O-N 2.71Å; V539-L541 PolarHBondContact O-N 3.1Å; L541-G543 VanDerWaalsContact C-N 3.31Å; L541-G543 PolarHBondContact O-N 3.1Å
542	G	95.4	Very high	95.9	Very high	28 Å²	28	43.4 Å²	43.4	29%	0.289	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	18.4	-179.4	0	0	0	0	0	114.1	V539 Q540 L544 S545 S546	V539-G542 PolarHBondContact O-N 2.95Å; Q540-G542 PolarHBondContact O-N 3.42Å; G542-L544 VanDerWaalsContact C-N 3.27Å; G542-L544 PolarHBondContact O-N 3.31Å; G542-S545 WeakPolarHBondContact O-CB 3.22Å; G542-S545 PolarHBondContact O-N 3.36Å; G542-S546 PolarHBondContact O-N 3.4Å
543	G	97	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-32.1	-177.4	0	0	0	0	0	113.9	F538 L541 S545 S546 L547	F538-G543 VanDerWaalsContact CE1-CA 3.48Å; F538-G543 VanDerWaalsContact CZ-CA 3.46Å; F538-G543 WeakPolarHBondContact O-CA 3.45Å; F538-G543 PolarHBondContact O-N 3Å; L541-G543 VanDerWaalsContact C-N 3.31Å; L541-G543 PolarHBondContact O-N 3.1Å; G543-S545 VanDerWaalsContact C-N 3.35Å; G543-S546 PolarHBondContact O-N 3.36Å; G543-L547 WeakPolarHBondContact O-CG 3.46Å; G543-L547 PolarHBondContact O-N 2.96Å
544	L	97.1	Very high	95.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-39	173.2	-67.8	-177.7	0	0	0	112.1	F538 V539 G542 L547 L548 L569 A575 T578 L579 L582	F538-L544 HydrophobicContact CE1-CD2 4.46Å; V539-L544 HydrophobicContact CG1-CD1 4.35Å; V539-L544 HydrophobicContact CG2-CD1 3.83Å; V539-L544 HydrophobicContact CG2-CG 4.14Å; G542-L544 VanDerWaalsContact C-N 3.27Å; G542-L544 PolarHBondContact O-N 3.31Å; L544-L547 PolarHBondContact O-N 2.84Å; L544-L548 WeakPolarHBondContact O-CG 3.33Å; L544-L548 PolarHBondContact O-N 3.42Å; L544-L569 HydrophobicContact CD2-CB 4.48Å; L544-L569 HydrophobicContact CD2-CD1 3.87Å; L544-A575 HydrophobicContact CD1-CB 4.43Å; L544-A575 WeakPolarHBondContact CD1-O 3.29Å; L544-T578 HydrophobicContact CD1-CG2 4.12Å; L544-L579 HydrophobicContact CB-CD1 4.2Å; L544-L579 HydrophobicContact CD1-CB 4.27Å; L544-L579 HydrophobicContact CD1-CD1 4.44Å; L544-L579 HydrophobicContact CD2-CD1 4.39Å; L544-L582 HydrophobicContact CB-CD1 3.97Å
545	S	96.9	Very high	95.9	Very high	46 Å²	46	43.2 Å²	43.2	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-41.6	176	-54.2	0	0	0	0	111.5	G542 G543 L547 L548 N549	G542-S545 WeakPolarHBondContact O-CB 3.22Å; G542-S545 PolarHBondContact O-N 3.36Å; G543-S545 VanDerWaalsContact C-N 3.35Å; S545-L547 PolarHBondContact O-N 3.29Å; S545-L548 PolarHBondContact O-N 3.32Å; S545-N549 PolarHBondContact O-N 3Å; S545-N549 VanDerWaalsContact O-N 3.13Å
546	S	96.8	Very high	95.8	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-45.2	172.5	-74.5	0	0	0	0	111.7	N511 G542 G543 N549 L550	N511-S546 PolarHBondContact ND2-OG 2.92Å; N511-S546 WeakPolarHBondContact OD1-CB 3.45Å; N511-S546 PolarHBondContact OD1-OG 3.2Å; G542-S546 PolarHBondContact O-N 3.4Å; G543-S546 PolarHBondContact O-N 3.36Å; S546-N549 WeakPolarHBondContact O-CB 3.39Å; S546-N549 PolarHBondContact O-N 2.89Å; S546-L550 WeakPolarHBondContact O-CG 3.4Å; S546-L550 PolarHBondContact O-N 3.46Å; S546-L550 VanDerWaalsContact O-N 3.15Å
547	L	97.7	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-38.1	177.2	-69.7	176.1	0	0	0	112.8	L510 A522 V525 F538 G543 L544 S545 N549 L550 I551 A562 A565 I566 L569	L510-L547 HydrophobicContact CD1-CD2 4.28Å; L510-L547 HydrophobicContact CD1-CG 4.46Å; L510-L547 HydrophobicContact CD2-CD2 3.91Å; A522-L547 HydrophobicContact CB-CD2 4.39Å; V525-L547 HydrophobicContact CG1-CD1 4.36Å; F538-L547 HydrophobicContact CE1-CD1 3.79Å; F538-L547 HydrophobicContact CE1-CG 4.43Å; F538-L547 HydrophobicContact CZ-CD1 3.94Å; F538-L547 HydrophobicContact CZ-CG 4.23Å; G543-L547 WeakPolarHBondContact O-CG 3.46Å; G543-L547 PolarHBondContact O-N 2.96Å; L544-L547 PolarHBondContact O-N 2.84Å; S545-L547 PolarHBondContact O-N 3.29Å; L547-N549 PolarHBondContact O-N 3.39Å; L547-L550 HydrophobicContact CD2-CD1 4.46Å; L547-L550 PolarHBondContact O-N 3.44Å; L547-L550 VanDerWaalsContact O-N 3.08Å; L547-I551 PolarHBondContact O-N 3.45Å; L547-A562 HydrophobicContact CD2-CB 4.35Å; L547-A565 HydrophobicContact CD1-CB 3.94Å; L547-A565 HydrophobicContact CD2-CB 3.91Å; L547-I566 HydrophobicContact CB-CD1 4.01Å; L547-I566 HydrophobicContact CB-CG1 3.82Å; L547-I566 HydrophobicContact CD1-CG1 4.06Å; L547-L569 HydrophobicContact CD1-CD1 3.45Å; L547-L569 VanDerWaalsContact CD1-CD1 3.45Å
548	L	96.4	Very high	95.8	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-32.5	175.6	-78.5	179.4	0	0	0	112.6	L544 S545 I551 Q552 I566 L579 L582 I587	L544-L548 WeakPolarHBondContact O-CG 3.33Å; L544-L548 PolarHBondContact O-N 3.42Å; S545-L548 PolarHBondContact O-N 3.32Å; L548-I551 HydrophobicContact CD2-CD1 3.7Å; L548-I551 WeakPolarHBondContact O-CG1 3.43Å; L548-Q552 PolarHBondContact O-NE2 2.94Å; L548-I566 HydrophobicContact CD2-CD1 4.2Å; L548-L579 HydrophobicContact CD1-CD1 3.84Å; L548-L579 HydrophobicContact CD2-CD1 3.71Å; L548-L579 HydrophobicContact CG-CD1 3.71Å; L548-L582 HydrophobicContact CD1-CB 3.69Å; L548-L582 WeakPolarHBondContact CD1-O 3.38Å; L548-I587 HydrophobicContact CB-CD1 4.41Å; L548-I587 HydrophobicContact CD1-CD1 4.29Å; L548-I587 HydrophobicContact CD2-CD1 3.96Å; L548-I587 HydrophobicContact CG-CD1 4.46Å
549	N	96	Very high	95.7	Very high	111 Å²	111	44.2 Å²	44.2	59%	0.594	25%	0.246	S	C	*	.	H	α-helix	trans	-70	-43.7	171.3	-68.7	-24.2	0	0	0	111.2	S545 S546 L547 I551 Q552	S545-N549 PolarHBondContact O-N 3Å; S545-N549 VanDerWaalsContact O-N 3.13Å; S546-N549 WeakPolarHBondContact O-CB 3.39Å; S546-N549 PolarHBondContact O-N 2.89Å; L547-N549 PolarHBondContact O-N 3.39Å; N549-I551 PolarHBondContact O-N 2.89Å; N549-Q552 PolarHBondContact O-N 3.3Å; N549-Q552 VanDerWaalsContact O-N 3.16Å
550	L	96.9	Very high	95.6	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-34.4	-178.4	-66.2	-178.2	0	0	0	113.7	L510 Q518 S546 L547 Q552 S553 V558 A562	L510-L550 HydrophobicContact CB-CD1 4.21Å; L510-L550 HydrophobicContact CD2-CD1 3.72Å; Q518-L550 HydrophobicContact CB-CD2 4.22Å; Q518-L550 HydrophobicContact CG-CD2 3.98Å; S546-L550 WeakPolarHBondContact O-CG 3.4Å; S546-L550 PolarHBondContact O-N 3.46Å; S546-L550 VanDerWaalsContact O-N 3.15Å; L547-L550 HydrophobicContact CD2-CD1 4.46Å; L547-L550 PolarHBondContact O-N 3.44Å; L547-L550 VanDerWaalsContact O-N 3.08Å; L550-Q552 PolarHBondContact O-N 3.37Å; L550-S553 WeakPolarHBondContact O-CB 3.39Å; L550-S553 PolarHBondContact O-N 2.98Å; L550-V558 HydrophobicContact CB-CG1 4.07Å; L550-V558 HydrophobicContact CD2-CG1 3.84Å; L550-V558 HydrophobicContact CG-CG1 4.39Å; L550-A562 HydrophobicContact CB-CB 3.62Å
551	I	95.6	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.9	174.8	63	173	0	0	0	113	L547 L548 N549 S553 R559 A562 I566 I587 L588 L591	L547-I551 PolarHBondContact O-N 3.45Å; L548-I551 HydrophobicContact CD2-CD1 3.7Å; L548-I551 WeakPolarHBondContact O-CG1 3.43Å; N549-I551 PolarHBondContact O-N 2.89Å; I551-S553 VanDerWaalsContact C-N 3.34Å; I551-R559 WeakPolarHBondContact O-CD 3.3Å; I551-R559 WeakPolarHBondContact O-CG 3.3Å; I551-A562 HydrophobicContact CG2-CB 3.62Å; I551-I566 HydrophobicContact CD1-CD1 3.84Å; I551-I566 HydrophobicContact CG1-CD1 4.42Å; I551-I566 HydrophobicContact CG2-CD1 3.61Å; I551-I587 HydrophobicContact CD1-CG2 3.51Å; I551-I587 HydrophobicContact CG1-CG2 4.09Å; I551-L588 HydrophobicContact CD1-CD2 4.32Å; I551-L591 HydrophobicContact CB-CD1 4.02Å; I551-L591 HydrophobicContact CD1-CD1 3.88Å; I551-L591 HydrophobicContact CG1-CD1 4.09Å
552	Q	93.7	Very high	95.8	Very high	98 Å²	98	39.6 Å²	39.6	46%	0.458	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.8	174.3	-64.4	177.1	63.3	0	0	112.5	L548 N549 L550 I587	L548-Q552 PolarHBondContact O-NE2 2.94Å; N549-Q552 PolarHBondContact O-N 3.3Å; N549-Q552 VanDerWaalsContact O-N 3.16Å; L550-Q552 PolarHBondContact O-N 3.37Å; Q552-I587 HydrophobicContact CG-CG2 3.94Å
553	S	94.2	Very high	95.9	Very high	26 Å²	26	38.3 Å²	38.3	18%	0.182	20%	0.204	C	C	.	.			trans	-57.9	142.2	178.7	-176.6	0	0	0	0	112.2	L550 I551 N555 R559	L550-S553 WeakPolarHBondContact O-CB 3.39Å; L550-S553 PolarHBondContact O-N 2.98Å; I551-S553 VanDerWaalsContact C-N 3.34Å; S553-N555 PolarHBondContact O-N 3.45Å; S553-N555 PolarHBondContact OG-N 3.21Å; S553-R559 PolarHBondContact O-NH1 3.42Å
554	T	92.7	Very high	95.9	Very high	126 Å²	126	42.7 Å²	42.7	77%	0.773	22%	0.22	S	C	*	.	S	Bend	trans	-69.7	-24.4	172.7	54.6	0	0	0	0	111.7	R559	T554-R559 PolarHBondContact O-NH1 3.17Å
555	N	94.8	Very high	95.9	Very high	47 Å²	47	42.6 Å²	42.6	25%	0.251	22%	0.22	S	C	.	.	S	Bend	trans	-75.8	127.5	176.8	-175.3	-78	0	0	0	111.4	V515 S553 D557 V558 R559	V515-N555 HydrophobicContact CG1-CB 4.15Å; V515-N555 VanDerWaalsContact CG1-ND2 3.28Å; V515-N555 WeakPolarHBondContact CG1-ND2 3.28Å; S553-N555 PolarHBondContact O-N 3.45Å; S553-N555 PolarHBondContact OG-N 3.21Å; N555-D557 PolarHBondContact OD1-N 3.41Å; N555-V558 HydrophobicContact CB-CB 4.25Å; N555-V558 HydrophobicContact CB-CG2 4.18Å; N555-V558 PolarHBondContact OD1-N 3.44Å; N555-V558 VanDerWaalsContact OD1-N 3.09Å; N555-R559 VanDerWaalsContact O-CB 3.29Å; N555-R559 WeakPolarHBondContact O-CB 3.32Å; N555-R559 PolarHBondContact O-N 3.05Å; N555-R559 VanDerWaalsContact O-N 3.11Å; N555-R559 PolarHBondContact O-NH1 2.95Å
556	N	94	Very high	96	Very high	78 Å²	78	40.4 Å²	40.4	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-66.8	-37.9	-175.4	-67.4	-29.3	0	0	0	113.3	R559 R560	N556-R559 PolarHBondContact OD1-NH1 3.33Å; N556-R559 PolarHBondContact OD1-NH2 3.35Å; N556-R560 WeakPolarHBondContact O-CB 3.45Å; N556-R560 VanDerWaalsContact O-CG 3.31Å; N556-R560 WeakPolarHBondContact O-CG 3.47Å; N556-R560 PolarHBondContact O-N 3.16Å
557	D	94.5	Very high	96	Very high	95 Å²	95	40 Å²	40	51%	0.508	20%	0.202	S	C	.	.	H	α-helix	trans	-73.7	-45.8	-175.3	-59.4	-35.7	0	0	0	110.5	N555 R559 R560 S561	N555-D557 PolarHBondContact OD1-N 3.41Å; D557-R559 VanDerWaalsContact C-N 3.33Å; D557-R559 PolarHBondContact O-N 3.12Å; D557-R560 PolarHBondContact O-N 3.07Å; D557-S561 WeakPolarHBondContact O-CB 3.37Å; D557-S561 PolarHBondContact O-N 3.46Å; D557-S561 PolarHBondContact O-OG 2.75Å; D557-S561 VanDerWaalsContact O-OG 3.1Å
558	V	96.8	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-49.8	172.6	173.7	0	0	0	0	110.7	V515 Q518 L550 N555 R560 S561 A562	V515-V558 HydrophobicContact CB-CG2 4.36Å; V515-V558 HydrophobicContact CG1-CG2 3.68Å; V515-V558 VanDerWaalsContact O-CG2 3.32Å; V515-V558 WeakPolarHBondContact O-CG2 3.25Å; Q518-V558 HydrophobicContact CB-CG1 4.1Å; Q518-V558 HydrophobicContact CB-CG2 3.99Å; L550-V558 HydrophobicContact CB-CG1 4.07Å; L550-V558 HydrophobicContact CD2-CG1 3.84Å; L550-V558 HydrophobicContact CG-CG1 4.39Å; N555-V558 HydrophobicContact CB-CB 4.25Å; N555-V558 HydrophobicContact CB-CG2 4.18Å; N555-V558 PolarHBondContact OD1-N 3.44Å; N555-V558 VanDerWaalsContact OD1-N 3.09Å; V558-R560 PolarHBondContact O-N 3.44Å; V558-S561 PolarHBondContact O-N 3.42Å; V558-A562 WeakPolarHBondContact O-CB 3.18Å; V558-A562 PolarHBondContact O-N 2.93Å
559	R	95.7	Very high	96	Very high	8 Å²	8	41.6 Å²	41.6	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-47.6	-178.7	-178.7	165.8	72.7	-96	-3.9	111.8	I551 S553 T554 N555 N556 D557 A562 C563	I551-R559 WeakPolarHBondContact O-CD 3.3Å; I551-R559 WeakPolarHBondContact O-CG 3.3Å; S553-R559 PolarHBondContact O-NH1 3.42Å; T554-R559 PolarHBondContact O-NH1 3.17Å; N555-R559 VanDerWaalsContact O-CB 3.29Å; N555-R559 WeakPolarHBondContact O-CB 3.32Å; N555-R559 PolarHBondContact O-N 3.05Å; N555-R559 VanDerWaalsContact O-N 3.11Å; N555-R559 PolarHBondContact O-NH1 2.95Å; N556-R559 PolarHBondContact OD1-NH1 3.33Å; N556-R559 PolarHBondContact OD1-NH2 3.35Å; D557-R559 VanDerWaalsContact C-N 3.33Å; D557-R559 PolarHBondContact O-N 3.12Å; R559-A562 PolarHBondContact O-N 3.48Å; R559-C563 WeakPolarHBondContact O-CB 3.12Å; R559-C563 PolarHBondContact O-N 3.08Å; R559-C563 PolarHBondContact O-SG 2.94Å
560	R	95.3	Very high	96	Very high	125 Å²	125	36.5 Å²	36.5	47%	0.472	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-44.8	179.4	-75.6	-177.5	-171.3	117.2	-1.4	112.2	N556 D557 V558 A562 C563 W564	N556-R560 WeakPolarHBondContact O-CB 3.45Å; N556-R560 VanDerWaalsContact O-CG 3.31Å; N556-R560 WeakPolarHBondContact O-CG 3.47Å; N556-R560 PolarHBondContact O-N 3.16Å; D557-R560 PolarHBondContact O-N 3.07Å; V558-R560 PolarHBondContact O-N 3.44Å; R560-A562 VanDerWaalsContact C-N 3.34Å; R560-A562 PolarHBondContact O-N 3.01Å; R560-C563 PolarHBondContact O-N 3.12Å; R560-W564 PolarHBondContact O-N 2.92Å
561	S	97.1	Very high	95.9	Very high	12 Å²	12	39.2 Å²	39.2	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-43	176.9	-62.4	0	0	0	0	111.9	S519 L523 D557 V558 W564 A565	S519-S561 WeakPolarHBondContact O-CB 3.47Å; S519-S561 PolarHBondContact O-OG 3.24Å; L523-S561 WeakPolarHBondContact CD2-OG 3.43Å; L523-S561 WeakPolarHBondContact CG-OG 3.36Å; D557-S561 WeakPolarHBondContact O-CB 3.37Å; D557-S561 PolarHBondContact O-N 3.46Å; D557-S561 PolarHBondContact O-OG 2.75Å; D557-S561 VanDerWaalsContact O-OG 3.1Å; V558-S561 PolarHBondContact O-N 3.42Å; S561-W564 PolarHBondContact O-N 3.3Å; S561-A565 PolarHBondContact O-N 3.39Å
562	A	97.6	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-38.2	176.5	0	0	0	0	0	112.3	A522 L547 L550 I551 V558 R559 R560 W564 A565 I566	A522-A562 HydrophobicContact CB-CB 4.37Å; L547-A562 HydrophobicContact CD2-CB 4.35Å; L550-A562 HydrophobicContact CB-CB 3.62Å; I551-A562 HydrophobicContact CG2-CB 3.62Å; V558-A562 WeakPolarHBondContact O-CB 3.18Å; V558-A562 PolarHBondContact O-N 2.93Å; R559-A562 PolarHBondContact O-N 3.48Å; R560-A562 VanDerWaalsContact C-N 3.34Å; R560-A562 PolarHBondContact O-N 3.01Å; A562-W564 VanDerWaalsContact C-N 3.34Å; A562-W564 PolarHBondContact O-N 3.3Å; A562-A565 PolarHBondContact O-N 2.81Å; A562-I566 WeakPolarHBondContact O-CG1 3.45Å; A562-I566 PolarHBondContact O-N 3.39Å
563	C	96.8	Very high	95.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-41.8	174.3	-66	0	0	0	0	111.3	R559 R560 I566 A567 F601 T602	R559-C563 WeakPolarHBondContact O-CB 3.12Å; R559-C563 PolarHBondContact O-N 3.08Å; R559-C563 PolarHBondContact O-SG 2.94Å; R560-C563 PolarHBondContact O-N 3.12Å; C563-I566 PolarHBondContact O-N 3.43Å; C563-A567 WeakPolarHBondContact O-CB 3.2Å; C563-A567 PolarHBondContact O-N 3.21Å; C563-F601 HydrophobicContact CB-CB 4Å; C563-T602 HydrophobicContact CB-CG2 3.88Å; C563-T602 WeakPolarHBondContact SG-CG2 3.35Å
564	W	97.3	Very high	95.9	Very high	91 Å²	91	44.4 Å²	44.4	35%	0.345	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-45.5	174.3	-178.9	16.4	0	0	0	111.4	L523 A526 R560 S561 A562 I566 A567 S568 F601	L523-W564 HydrophobicContact CD2-CD2 4.44Å; L523-W564 HydrophobicContact CD2-CE3 3.28Å; L523-W564 HydrophobicContact CD2-CZ3 3.47Å; L523-W564 VanDerWaalsContact CD2-CZ3 3.47Å; A526-W564 HydrophobicContact CB-CD2 4.01Å; A526-W564 HydrophobicContact CB-CG 4.1Å; R560-W564 PolarHBondContact O-N 2.92Å; S561-W564 PolarHBondContact O-N 3.3Å; A562-W564 VanDerWaalsContact C-N 3.34Å; A562-W564 PolarHBondContact O-N 3.3Å; W564-I566 VanDerWaalsContact C-N 3.34Å; W564-I566 PolarHBondContact O-N 3.3Å; W564-A567 PolarHBondContact O-N 3.2Å; W564-A567 VanDerWaalsContact O-N 3.13Å; W564-S568 PolarHBondContact NE1-OG 3.43Å; W564-S568 PolarHBondContact O-N 3.2Å; W564-S568 PolarHBondContact O-OG 3.45Å; W564-F601 HydrophobicContact CB-CD1 4.35Å; W564-F601 HydrophobicContact CB-CD2 4.03Å; W564-F601 HydrophobicContact CB-CE1 4.44Å; W564-F601 HydrophobicContact CB-CE2 4.12Å; W564-F601 HydrophobicContact CB-CG 4.15Å; W564-F601 HydrophobicContact CB-CZ 4.32Å; W564-F601 HydrophobicContact CG-CD1 4.45Å; W564-F601 HydrophobicContact CG-CE1 4.24Å; W564-F601 HydrophobicContact CG-CZ 4.29Å
565	A	98.1	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.2	-47.1	176.1	0	0	0	0	0	112.4	A522 V525 A526 L547 S561 A562 S568 L569	A522-A565 HydrophobicContact CB-CB 4.45Å; A522-A565 WeakPolarHBondContact O-CB 3.34Å; V525-A565 HydrophobicContact CB-CB 4.44Å; V525-A565 HydrophobicContact CG1-CB 4.19Å; A526-A565 HydrophobicContact CB-CB 4.2Å; L547-A565 HydrophobicContact CD1-CB 3.94Å; L547-A565 HydrophobicContact CD2-CB 3.91Å; S561-A565 PolarHBondContact O-N 3.39Å; A562-A565 PolarHBondContact O-N 2.81Å; A565-S568 PolarHBondContact O-N 2.99Å; A565-L569 WeakPolarHBondContact O-CB 3.38Å; A565-L569 VanDerWaalsContact O-CG 3.28Å; A565-L569 WeakPolarHBondContact O-CG 3.33Å; A565-L569 PolarHBondContact O-N 3.35Å
566	I	97.6	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-44.7	175.9	-70.6	-177.3	0	0	0	111	L547 L548 I551 A562 C563 W564 S568 L569 T570 L579 A605	L547-I566 HydrophobicContact CB-CD1 4.01Å; L547-I566 HydrophobicContact CB-CG1 3.82Å; L547-I566 HydrophobicContact CD1-CG1 4.06Å; L548-I566 HydrophobicContact CD2-CD1 4.2Å; I551-I566 HydrophobicContact CD1-CD1 3.84Å; I551-I566 HydrophobicContact CG1-CD1 4.42Å; I551-I566 HydrophobicContact CG2-CD1 3.61Å; A562-I566 WeakPolarHBondContact O-CG1 3.45Å; A562-I566 PolarHBondContact O-N 3.39Å; C563-I566 PolarHBondContact O-N 3.43Å; W564-I566 VanDerWaalsContact C-N 3.34Å; W564-I566 PolarHBondContact O-N 3.3Å; I566-S568 VanDerWaalsContact C-N 3.3Å; I566-S568 PolarHBondContact O-N 3.31Å; I566-L569 PolarHBondContact O-N 2.96Å; I566-T570 HydrophobicContact CG2-CG2 4.04Å; I566-T570 WeakPolarHBondContact O-CB 3.44Å; I566-T570 VanDerWaalsContact O-CG2 3.23Å; I566-T570 WeakPolarHBondContact O-CG2 3.27Å; I566-T570 PolarHBondContact O-N 3.09Å; I566-T570 PolarHBondContact O-OG1 2.93Å; I566-L579 HydrophobicContact CG2-CD2 3.5Å; I566-L579 VanDerWaalsContact CG2-CD2 3.5Å; I566-A605 HydrophobicContact CG2-CB 3.75Å
567	A	96.9	Very high	96.2	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-41.2	178	0	0	0	0	0	111.6	C563 W564 T570 F601 L604 A605 R608	C563-A567 WeakPolarHBondContact O-CB 3.2Å; C563-A567 PolarHBondContact O-N 3.21Å; W564-A567 PolarHBondContact O-N 3.2Å; W564-A567 VanDerWaalsContact O-N 3.13Å; A567-T570 PolarHBondContact O-OG1 2.88Å; A567-T570 VanDerWaalsContact O-OG1 3.05Å; A567-F601 HydrophobicContact CB-CB 3.95Å; A567-L604 HydrophobicContact CB-CD2 4.43Å; A567-A605 HydrophobicContact CB-CB 4.37Å; A567-R608 PolarHBondContact O-NH1 3.13Å
568	S	96.6	Very high	96.3	Very high	37 Å²	37	31.7 Å²	31.7	26%	0.259	17%	0.168	S	C	.	.	H	α-helix	trans	-64	-49.6	174.9	-67.8	0	0	0	0	112.1	A526 W564 A565 I566 T570 A571	A526-S568 PolarHBondContact O-OG 2.82Å; W564-S568 PolarHBondContact NE1-OG 3.43Å; W564-S568 PolarHBondContact O-N 3.2Å; W564-S568 PolarHBondContact O-OG 3.45Å; A565-S568 PolarHBondContact O-N 2.99Å; I566-S568 VanDerWaalsContact C-N 3.3Å; I566-S568 PolarHBondContact O-N 3.31Å; S568-T570 PolarHBondContact O-N 3.19Å; S568-A571 VanDerWaalsContact O-CB 3.31Å; S568-A571 WeakPolarHBondContact O-CB 3.47Å; S568-A571 PolarHBondContact O-N 3.24Å
569	L	97.6	Very high	96.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-37.7	-177	-70.9	169.5	0	0	0	112.7	V525 I529 V535 F538 L544 L547 A565 I566 A571 D572 A575	V525-L569 HydrophobicContact CG1-CD1 3.99Å; I529-L569 HydrophobicContact CB-CD2 4.06Å; I529-L569 HydrophobicContact CG2-CD2 3.56Å; V535-L569 HydrophobicContact CG1-CD2 4.34Å; V535-L569 HydrophobicContact CG2-CD2 4.18Å; F538-L569 HydrophobicContact CD1-CD1 3.89Å; F538-L569 HydrophobicContact CD1-CD2 4.43Å; F538-L569 HydrophobicContact CE1-CD1 3.56Å; F538-L569 HydrophobicContact CZ-CD1 4.46Å; L544-L569 HydrophobicContact CD2-CB 4.48Å; L544-L569 HydrophobicContact CD2-CD1 3.87Å; L547-L569 HydrophobicContact CD1-CD1 3.45Å; L547-L569 VanDerWaalsContact CD1-CD1 3.45Å; A565-L569 WeakPolarHBondContact O-CB 3.38Å; A565-L569 VanDerWaalsContact O-CG 3.28Å; A565-L569 WeakPolarHBondContact O-CG 3.33Å; A565-L569 PolarHBondContact O-N 3.35Å; I566-L569 PolarHBondContact O-N 2.96Å; L569-A571 PolarHBondContact O-N 2.9Å; L569-D572 WeakPolarHBondContact O-CB 3.43Å; L569-D572 PolarHBondContact O-N 3.38Å; L569-A575 HydrophobicContact CB-CB 4.42Å; L569-A575 WeakPolarHBondContact O-CB 3.25Å
570	T	96.4	Very high	96.1	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.025	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-2.1	179.4	51.5	0	0	0	0	114	I566 A567 S568 L579 R608 V609	I566-T570 HydrophobicContact CG2-CG2 4.04Å; I566-T570 WeakPolarHBondContact O-CB 3.44Å; I566-T570 VanDerWaalsContact O-CG2 3.23Å; I566-T570 WeakPolarHBondContact O-CG2 3.27Å; I566-T570 PolarHBondContact O-N 3.09Å; I566-T570 PolarHBondContact O-OG1 2.93Å; A567-T570 PolarHBondContact O-OG1 2.88Å; A567-T570 VanDerWaalsContact O-OG1 3.05Å; S568-T570 PolarHBondContact O-N 3.19Å; T570-L579 HydrophobicContact CG2-CD2 3.57Å; T570-R608 WeakPolarHBondContact O-CB 3.4Å; T570-V609 HydrophobicContact CG2-CG2 3.79Å
571	A	95.5	Very high	95.9	Very high	69 Å²	69	33.3 Å²	33.3	57%	0.57	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.9	164.2	0	0	0	0	0	112.2	S568 L569	S568-A571 VanDerWaalsContact O-CB 3.31Å; S568-A571 WeakPolarHBondContact O-CB 3.47Å; S568-A571 PolarHBondContact O-N 3.24Å; L569-A571 PolarHBondContact O-N 2.9Å
572	D	95.9	Very high	95.7	Very high	40 Å²	40	35.8 Å²	35.8	21%	0.214	20%	0.196	C	C	.	.	S	Bend	trans	-82.7	131.5	171.2	178.5	-92.3	0	0	0	110.5	V535 L569 T574 A575 A576	V535-D572 HydrophobicContact CG1-CB 3.8Å; L569-D572 WeakPolarHBondContact O-CB 3.43Å; L569-D572 PolarHBondContact O-N 3.38Å; D572-T574 PolarHBondContact O-N 2.81Å; D572-T574 WeakPolarHBondContact OD1-CA 3.47Å; D572-T574 VanDerWaalsContact OD1-CB 3.29Å; D572-T574 WeakPolarHBondContact OD1-CB 3.49Å; D572-T574 PolarHBondContact OD1-N 3.07Å; D572-A575 HydrophobicContact CB-CB 4.2Å; D572-A575 PolarHBondContact O-N 3.15Å; D572-A575 PolarHBondContact OD1-N 3.05Å; D572-A576 PolarHBondContact O-N 3.01Å
573	H	93.3	Very high	95.4	Very high	124 Å²	124	39.9 Å²	39.9	57%	0.574	22%	0.218	S	C	*	.	H	α-helix	trans	-65	-39.9	-175.2	-175.9	68.3	0	0	0	112.3	A576 V577	H573-A576 PolarHBondContact O-N 3.36Å; H573-V577 WeakPolarHBondContact O-CG2 3.48Å; H573-V577 PolarHBondContact O-N 3.23Å
574	T	93.9	Very high	95.2	Very high	69 Å²	69	39.8 Å²	39.8	42%	0.423	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-45	178.9	-59.1	0	0	0	0	110.8	D572 A576 V577 T578	D572-T574 PolarHBondContact O-N 2.81Å; D572-T574 WeakPolarHBondContact OD1-CA 3.47Å; D572-T574 VanDerWaalsContact OD1-CB 3.29Å; D572-T574 WeakPolarHBondContact OD1-CB 3.49Å; D572-T574 PolarHBondContact OD1-N 3.07Å; T574-A576 VanDerWaalsContact C-N 3.34Å; T574-A576 PolarHBondContact O-N 3.23Å; T574-V577 PolarHBondContact O-N 2.99Å; T574-T578 PolarHBondContact O-N 3.4Å; T574-T578 PolarHBondContact O-OG1 3.23Å; T574-T578 VanDerWaalsContact O-OG1 3.09Å
575	A	97.1	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-41.6	175.8	0	0	0	0	0	112.4	V535 V539 L544 L569 D572 L579	V535-A575 HydrophobicContact CG1-CB 3.8Å; V539-A575 HydrophobicContact CG2-CB 4.05Å; L544-A575 HydrophobicContact CD1-CB 4.43Å; L544-A575 WeakPolarHBondContact CD1-O 3.29Å; L569-A575 HydrophobicContact CB-CB 4.42Å; L569-A575 WeakPolarHBondContact O-CB 3.25Å; D572-A575 HydrophobicContact CB-CB 4.2Å; D572-A575 PolarHBondContact O-N 3.15Å; D572-A575 PolarHBondContact OD1-N 3.05Å; A575-L579 VanDerWaalsContact O-CB 3.27Å; A575-L579 WeakPolarHBondContact O-CB 3.35Å; A575-L579 PolarHBondContact O-N 3.12Å
576	A	96.7	Very high	94.8	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-44.1	177.9	0	0	0	0	0	112.6	D572 H573 T574 L579 S580 A612	D572-A576 PolarHBondContact O-N 3.01Å; H573-A576 PolarHBondContact O-N 3.36Å; T574-A576 VanDerWaalsContact C-N 3.34Å; T574-A576 PolarHBondContact O-N 3.23Å; A576-L579 PolarHBondContact O-N 3.37Å; A576-S580 PolarHBondContact O-N 3.46Å; A576-S580 VanDerWaalsContact O-N 3.07Å; A576-A612 HydrophobicContact CB-CB 3.46Å; A576-A612 VanDerWaalsContact CB-CB 3.46Å
577	V	93.9	Very high	94.7	Very high	45 Å²	45	38 Å²	38	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-48.5	175.7	172.3	0	0	0	0	111.1	H573 T574 L579 S580 Q581 A612	H573-V577 WeakPolarHBondContact O-CG2 3.48Å; H573-V577 PolarHBondContact O-N 3.23Å; T574-V577 PolarHBondContact O-N 2.99Å; V577-L579 VanDerWaalsContact C-N 3.31Å; V577-L579 PolarHBondContact O-N 2.89Å; V577-S580 WeakPolarHBondContact O-CB 3.27Å; V577-S580 PolarHBondContact O-N 3.38Å; V577-S580 VanDerWaalsContact O-N 3.13Å; V577-Q581 PolarHBondContact O-N 3.19Å; V577-Q581 VanDerWaalsContact O-N 3.12Å; V577-A612 HydrophobicContact CG2-CB 4.06Å
578	T	95.4	Very high	94.6	Very high	31 Å²	31	37.9 Å²	37.9	19%	0.19	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-38.7	179.1	-55.9	0	0	0	0	111.6	V539 L544 T574 S580 Q581 L582	V539-T578 HydrophobicContact CG1-CG2 3.72Å; L544-T578 HydrophobicContact CD1-CG2 4.12Å; T574-T578 PolarHBondContact O-N 3.4Å; T574-T578 PolarHBondContact O-OG1 3.23Å; T574-T578 VanDerWaalsContact O-OG1 3.09Å; T578-S580 VanDerWaalsContact C-N 3.28Å; T578-S580 PolarHBondContact O-N 2.89Å; T578-Q581 WeakPolarHBondContact O-CB 3.43Å; T578-Q581 PolarHBondContact O-N 2.61Å; T578-Q581 VanDerWaalsContact O-N 3.1Å; T578-L582 HydrophobicContact CG2-CD1 4.02Å; T578-L582 HydrophobicContact CG2-CG 4.35Å; T578-L582 WeakPolarHBondContact O-CG 3.45Å; T578-L582 PolarHBondContact O-N 3.24Å
579	L	95.6	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-36.3	175.7	-163.8	68.5	0	0	0	111.9	L544 L548 I566 T570 A575 A576 V577 Q581 L582 G584 L588 V609	L544-L579 HydrophobicContact CB-CD1 4.2Å; L544-L579 HydrophobicContact CD1-CB 4.27Å; L544-L579 HydrophobicContact CD1-CD1 4.44Å; L544-L579 HydrophobicContact CD2-CD1 4.39Å; L548-L579 HydrophobicContact CD1-CD1 3.84Å; L548-L579 HydrophobicContact CD2-CD1 3.71Å; L548-L579 HydrophobicContact CG-CD1 3.71Å; I566-L579 HydrophobicContact CG2-CD2 3.5Å; I566-L579 VanDerWaalsContact CG2-CD2 3.5Å; T570-L579 HydrophobicContact CG2-CD2 3.57Å; A575-L579 VanDerWaalsContact O-CB 3.27Å; A575-L579 WeakPolarHBondContact O-CB 3.35Å; A575-L579 PolarHBondContact O-N 3.12Å; A576-L579 PolarHBondContact O-N 3.37Å; V577-L579 VanDerWaalsContact C-N 3.31Å; V577-L579 PolarHBondContact O-N 2.89Å; L579-Q581 VanDerWaalsContact C-N 3.34Å; L579-L582 PolarHBondContact O-N 3.19Å; L579-G584 VanDerWaalsContact O-CA 3.26Å; L579-G584 WeakPolarHBondContact O-CA 3.11Å; L579-G584 PolarHBondContact O-N 3.48Å; L579-L588 HydrophobicContact CD2-CD1 4.33Å; L579-V609 HydrophobicContact CB-CG2 4.31Å; L579-V609 HydrophobicContact CD2-CG2 3.69Å; L579-V609 HydrophobicContact CG-CG2 4.33Å
580	S	93.2	Very high	94.2	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-40.8	172.2	-176.2	0	0	0	0	112.2	A576 V577 T578 L582 N583 I585 N613	A576-S580 PolarHBondContact O-N 3.46Å; A576-S580 VanDerWaalsContact O-N 3.07Å; V577-S580 WeakPolarHBondContact O-CB 3.27Å; V577-S580 PolarHBondContact O-N 3.38Å; V577-S580 VanDerWaalsContact O-N 3.13Å; T578-S580 VanDerWaalsContact C-N 3.28Å; T578-S580 PolarHBondContact O-N 2.89Å; S580-L582 VanDerWaalsContact C-N 3.3Å; S580-L582 PolarHBondContact O-N 3.32Å; S580-N583 PolarHBondContact O-N 2.88Å; S580-I585 WeakPolarHBondContact OG-CD1 3.44Å; S580-N613 PolarHBondContact OG-ND2 3.13Å
581	Q	91.7	Very high	94	Very high	148 Å²	148	41.5 Å²	41.5	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-68.8	-29.4	178.9	-67	168.2	-16.4	0	0	112.1	V577 T578 L579 N583	V577-Q581 PolarHBondContact O-N 3.19Å; V577-Q581 VanDerWaalsContact O-N 3.12Å; T578-Q581 WeakPolarHBondContact O-CB 3.43Å; T578-Q581 PolarHBondContact O-N 2.61Å; T578-Q581 VanDerWaalsContact O-N 3.1Å; L579-Q581 VanDerWaalsContact C-N 3.34Å; Q581-N583 PolarHBondContact O-N 2.87Å
582	L	92.5	Very high	93.9	Very high	65 Å²	65	39.5 Å²	39.5	34%	0.34	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	27.4	177.2	-63.8	173	0	0	0	113.6	L544 L548 T578 L579 S580 G584	L544-L582 HydrophobicContact CB-CD1 3.97Å; L548-L582 HydrophobicContact CD1-CB 3.69Å; L548-L582 WeakPolarHBondContact CD1-O 3.38Å; T578-L582 HydrophobicContact CG2-CD1 4.02Å; T578-L582 HydrophobicContact CG2-CG 4.35Å; T578-L582 WeakPolarHBondContact O-CG 3.45Å; T578-L582 PolarHBondContact O-N 3.24Å; L579-L582 PolarHBondContact O-N 3.19Å; S580-L582 VanDerWaalsContact C-N 3.3Å; S580-L582 PolarHBondContact O-N 3.32Å; L582-G584 PolarHBondContact O-N 2.86Å; L582-G584 VanDerWaalsContact O-N 3.15Å
583	N	90.9	Very high	93.7	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	22.7	-177.7	-162.6	37.7	0	0	0	114.2	S580 Q581 I585 T586 I587	S580-N583 PolarHBondContact O-N 2.88Å; Q581-N583 PolarHBondContact O-N 2.87Å; N583-I585 VanDerWaalsContact C-N 3.3Å; N583-I585 PolarHBondContact O-N 3.31Å; N583-T586 PolarHBondContact O-N 3.39Å; N583-T586 VanDerWaalsContact OD1-CB 3.24Å; N583-T586 WeakPolarHBondContact OD1-CB 3.5Å; N583-T586 PolarHBondContact OD1-OG1 3.4Å; N583-I587 PolarHBondContact O-N 3.03Å
584	G	93.5	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-31.3	-176.1	0	0	0	0	0	113.9	L579 L582 I587 L588	L579-G584 VanDerWaalsContact O-CA 3.26Å; L579-G584 WeakPolarHBondContact O-CA 3.11Å; L579-G584 PolarHBondContact O-N 3.48Å; L582-G584 PolarHBondContact O-N 2.86Å; L582-G584 VanDerWaalsContact O-N 3.15Å; G584-I587 PolarHBondContact O-N 3.2Å; G584-L588 WeakPolarHBondContact O-CB 3.43Å; G584-L588 WeakPolarHBondContact O-CD1 3.29Å; G584-L588 WeakPolarHBondContact O-CG 3.46Å; G584-L588 PolarHBondContact O-N 2.69Å
585	I	94.1	Very high	93.5	Very high	10 Å²	10	45 Å²	45	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-50.4	176.9	-62.7	175	0	0	0	110.5	S580 N583 I587 L588 Q589 L606 V609 L610 A616 L620 P643	S580-I585 WeakPolarHBondContact OG-CD1 3.44Å; N583-I585 VanDerWaalsContact C-N 3.3Å; N583-I585 PolarHBondContact O-N 3.31Å; I585-I587 PolarHBondContact O-N 3.19Å; I585-L588 PolarHBondContact O-N 2.85Å; I585-Q589 WeakPolarHBondContact O-CB 3.45Å; I585-Q589 WeakPolarHBondContact O-CG 3.33Å; I585-Q589 PolarHBondContact O-N 3.38Å; I585-L606 HydrophobicContact CG2-CD1 4.12Å; I585-V609 HydrophobicContact CD1-CG1 4.11Å; I585-V609 HydrophobicContact CG1-CG1 3.51Å; I585-L610 HydrophobicContact CD1-CD2 3.99Å; I585-L610 HydrophobicContact CG1-CD2 4.4Å; I585-L610 HydrophobicContact CG2-CD2 4.15Å; I585-A616 HydrophobicContact CD1-CB 3.63Å; I585-L620 HydrophobicContact CG2-CD1 3.61Å; I585-P643 HydrophobicContact CG2-CB 3.95Å
586	T	93.4	Very high	93.2	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.117	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-46.1	179.5	-55.1	0	0	0	0	111.5	N583 T590 P643	N583-T586 PolarHBondContact O-N 3.39Å; N583-T586 VanDerWaalsContact OD1-CB 3.24Å; N583-T586 WeakPolarHBondContact OD1-CB 3.5Å; N583-T586 PolarHBondContact OD1-OG1 3.4Å; T586-T590 WeakPolarHBondContact O-CB 3.29Å; T586-T590 PolarHBondContact O-N 3.49Å; T586-T590 PolarHBondContact O-OG1 3.34Å; T586-P643 HydrophobicContact CG2-CG 4.21Å
587	I	94.4	Very high	92.9	Very high	24 Å²	24	54.8 Å²	54.8	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-46.3	-178.6	-61.1	164.5	0	0	0	110.6	L548 I551 Q552 N583 G584 I585 T590 L591	L548-I587 HydrophobicContact CB-CD1 4.41Å; L548-I587 HydrophobicContact CD1-CD1 4.29Å; L548-I587 HydrophobicContact CD2-CD1 3.96Å; L548-I587 HydrophobicContact CG-CD1 4.46Å; I551-I587 HydrophobicContact CD1-CG2 3.51Å; I551-I587 HydrophobicContact CG1-CG2 4.09Å; Q552-I587 HydrophobicContact CG-CG2 3.94Å; N583-I587 PolarHBondContact O-N 3.03Å; G584-I587 PolarHBondContact O-N 3.2Å; I585-I587 PolarHBondContact O-N 3.19Å; I587-T590 PolarHBondContact O-N 2.96Å; I587-L591 HydrophobicContact CG2-CD1 4.28Å; I587-L591 WeakPolarHBondContact O-CG 3.36Å; I587-L591 PolarHBondContact O-N 3.5Å
588	L	94.8	Very high	92.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-39.6	179.9	-70.5	169.2	0	0	0	112.3	I551 L579 G584 I585 L591 N592 T602 A605 L606 V609	I551-L588 HydrophobicContact CD1-CD2 4.32Å; L579-L588 HydrophobicContact CD2-CD1 4.33Å; G584-L588 WeakPolarHBondContact O-CB 3.43Å; G584-L588 WeakPolarHBondContact O-CD1 3.29Å; G584-L588 WeakPolarHBondContact O-CG 3.46Å; G584-L588 PolarHBondContact O-N 2.69Å; I585-L588 PolarHBondContact O-N 2.85Å; L588-L591 PolarHBondContact O-N 3.28Å; L588-N592 WeakPolarHBondContact O-CB 3.45Å; L588-N592 PolarHBondContact O-N 3.1Å; L588-N592 PolarHBondContact O-ND2 3.29Å; L588-T602 HydrophobicContact CD2-CG2 4.38Å; L588-A605 HydrophobicContact CD1-CB 4.04Å; L588-A605 HydrophobicContact CD2-CB 4.11Å; L588-L606 HydrophobicContact CB-CB 4.15Å; L588-L606 HydrophobicContact CB-CD1 4.2Å; L588-L606 HydrophobicContact CD1-CB 4.44Å; L588-V609 HydrophobicContact CD1-CG2 4.22Å
589	Q	92.8	Very high	92.5	Very high	31 Å²	31	57.3 Å²	57.3	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-46.8	175.1	-77.5	-173.7	-12.2	0	0	111.6	I585 L591 N592 E593 L606 P643	I585-Q589 WeakPolarHBondContact O-CB 3.45Å; I585-Q589 WeakPolarHBondContact O-CG 3.33Å; I585-Q589 PolarHBondContact O-N 3.38Å; Q589-L591 PolarHBondContact O-N 2.99Å; Q589-N592 CarbonylContact O-C 3.57Å; Q589-N592 WeakPolarHBondContact O-CA 3.42Å; Q589-N592 PolarHBondContact O-N 2.97Å; Q589-E593 WeakPolarHBondContact O-CG 3.48Å; Q589-E593 PolarHBondContact O-N 3.21Å; Q589-L606 HydrophobicContact CG-CD1 3.74Å; Q589-L606 HydrophobicContact CG-CD2 3.48Å; Q589-L606 VanDerWaalsContact CG-CD2 3.48Å; Q589-L606 HydrophobicContact CG-CG 4.27Å; Q589-P643 HydrophobicContact CB-CG 4.16Å
590	T	92.6	Very high	92.4	Very high	83 Å²	83	61.9 Å²	61.9	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-56.4	-39.9	175.9	-55.8	0	0	0	0	111.6	T586 I587	T586-T590 WeakPolarHBondContact O-CB 3.29Å; T586-T590 PolarHBondContact O-N 3.49Å; T586-T590 PolarHBondContact O-OG1 3.34Å; I587-T590 PolarHBondContact O-N 2.96Å
591	L	92.6	Very high	92.5	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-40	175.2	-74.1	171.5	0	0	0	112.5	I551 I587 L588 Q589 E593 S594 R597 K598 T602	I551-L591 HydrophobicContact CB-CD1 4.02Å; I551-L591 HydrophobicContact CD1-CD1 3.88Å; I551-L591 HydrophobicContact CG1-CD1 4.09Å; I587-L591 HydrophobicContact CG2-CD1 4.28Å; I587-L591 WeakPolarHBondContact O-CG 3.36Å; I587-L591 PolarHBondContact O-N 3.5Å; L588-L591 PolarHBondContact O-N 3.28Å; Q589-L591 PolarHBondContact O-N 2.99Å; L591-E593 VanDerWaalsContact C-N 3.29Å; L591-E593 PolarHBondContact O-N 3.17Å; L591-S594 WeakPolarHBondContact O-CB 3.46Å; L591-S594 PolarHBondContact O-N 3.4Å; L591-R597 HydrophobicContact CD2-CB 3.87Å; L591-R597 HydrophobicContact CD2-CG 4.48Å; L591-K598 PolarHBondContact O-N 3.48Å; L591-T602 HydrophobicContact CB-CG2 4.49Å; L591-T602 HydrophobicContact CD1-CG2 4.32Å
592	N	92.9	Very high	92.6	Very high	27 Å²	27	57.3 Å²	57.3	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-22.5	178.9	-75.3	-25.7	0	0	0	113.4	L588 Q589 S594 K598 T602 L606	L588-N592 WeakPolarHBondContact O-CB 3.45Å; L588-N592 PolarHBondContact O-N 3.1Å; L588-N592 PolarHBondContact O-ND2 3.29Å; Q589-N592 CarbonylContact O-C 3.57Å; Q589-N592 WeakPolarHBondContact O-CA 3.42Å; Q589-N592 PolarHBondContact O-N 2.97Å; N592-S594 VanDerWaalsContact C-N 3.32Å; N592-K598 WeakPolarHBondContact O-CD 3.39Å; N592-T602 PolarHBondContact ND2-O 3.1Å; N592-T602 WeakPolarHBondContact OD1-CB 3.28Å; N592-T602 PolarHBondContact OD1-OG1 3.39Å; N592-L606 WeakPolarHBondContact ND2-CD2 3.24Å
593	E	92.5	Very high	92.7	Very high	145 Å²	145	58.1 Å²	58.1	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-75.7	-21.1	171.7	-70.5	171.6	-178.9	0	0	112.6	Q589 L591	Q589-E593 WeakPolarHBondContact O-CG 3.48Å; Q589-E593 PolarHBondContact O-N 3.21Å; L591-E593 VanDerWaalsContact C-N 3.29Å; L591-E593 PolarHBondContact O-N 3.17Å
594	S	92.3	Very high	92.9	Very high	34 Å²	34	57.3 Å²	57.3	24%	0.238	30%	0.295	C	S	.	.			trans	-83.5	120.3	-179.8	-177	0	0	0	0	112.4	L591 N592 T596 R597 K598	L591-S594 WeakPolarHBondContact O-CB 3.46Å; L591-S594 PolarHBondContact O-N 3.4Å; N592-S594 VanDerWaalsContact C-N 3.32Å; S594-T596 PolarHBondContact O-N 3.22Å; S594-T596 VanDerWaalsContact O-N 3.12Å; S594-T596 PolarHBondContact OG-OG1 3.29Å; S594-R597 PolarHBondContact O-N 2.83Å; S594-K598 WeakPolarHBondContact O-CB 3.38Å; S594-K598 PolarHBondContact O-N 3.4Å
595	I	90.4	Very high	93.1	Very high	169 Å²	169	57.3 Å²	57.3	87%	0.867	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.3	176.4	-58.2	171.9	0	0	0	112.5
596	T	90.6	Very high	93.1	Very high	109 Å²	109	57.9 Å²	57.9	67%	0.669	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-17.9	-174.3	62.7	0	0	0	0	114.4	S594	S594-T596 PolarHBondContact O-N 3.22Å; S594-T596 VanDerWaalsContact O-N 3.12Å; S594-T596 PolarHBondContact OG-OG1 3.29Å
597	R	91.1	Very high	93.2	Very high	98 Å²	98	63 Å²	63	37%	0.37	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-24.9	-174.5	-55.8	-179.2	177.1	-173.5	-2.5	113	L591 S594 N599	L591-R597 HydrophobicContact CD2-CB 3.87Å; L591-R597 HydrophobicContact CD2-CG 4.48Å; S594-R597 PolarHBondContact O-N 2.83Å; R597-N599 PolarHBondContact O-ND2 3.04Å
598	K	90.9	Very high	93.3	Very high	101 Å²	101	65.7 Å²	65.7	44%	0.439	33%	0.327	S	S	.	.			trans	-54.1	136.6	175	-178.7	-177.7	-175.3	176.1	0	111.5	L591 N592 S594 E603	L591-K598 PolarHBondContact O-N 3.48Å; N592-K598 WeakPolarHBondContact O-CD 3.39Å; S594-K598 WeakPolarHBondContact O-CB 3.38Å; S594-K598 PolarHBondContact O-N 3.4Å; K598-E603 VanDerWaalsContact CE-CD 3.49Å; K598-E603 WeakPolarHBondContact CE-OE1 3.17Å; K598-E603 IonicContact NZ-OE1 2.73Å; K598-E603 PolarHBondContact NZ-OE1 2.73Å
599	N	89.8	Confident	93.4	Very high	28 Å²	28	65.7 Å²	65.7	15%	0.15	33%	0.327	C	S	.	.			trans	-151.4	171	171.3	61.5	72.1	0	0	0	111	R597 F601 T602 E603	R597-N599 PolarHBondContact O-ND2 3.04Å; N599-F601 VanDerWaalsContact C-N 3.26Å; N599-F601 PolarHBondContact O-N 3.37Å; N599-F601 WeakPolarHBondContact OD1-CA 3.31Å; N599-F601 VanDerWaalsContact OD1-CB 3.27Å; N599-F601 WeakPolarHBondContact OD1-CB 3.06Å; N599-F601 PolarHBondContact OD1-N 3.03Å; N599-T602 PolarHBondContact N-OG1 3.49Å; N599-T602 PolarHBondContact O-N 3.39Å; N599-T602 PolarHBondContact O-OG1 2.99Å; N599-T602 PolarHBondContact OD1-N 3.27Å; N599-E603 PolarHBondContact O-N 3.45Å
600	T	94	Very high	93.5	Very high	96 Å²	96	64.8 Å²	64.8	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-65	-28.3	-177.8	52.8	0	0	0	0	113	L604	T600-L604 WeakPolarHBondContact O-CB 3.45Å; T600-L604 PolarHBondContact O-N 2.89Å
601	F	95.3	Very high	93.6	Very high	71 Å²	71	63.7 Å²	63.7	31%	0.311	31%	0.314	S	S	.	.	H	α-helix	trans	-71.7	-39	178	-50.7	-57.6	0	0	0	111.8	C563 W564 A567 N599 L604 A605	C563-F601 HydrophobicContact CB-CB 4Å; W564-F601 HydrophobicContact CB-CD1 4.35Å; W564-F601 HydrophobicContact CB-CD2 4.03Å; W564-F601 HydrophobicContact CB-CE1 4.44Å; W564-F601 HydrophobicContact CB-CE2 4.12Å; W564-F601 HydrophobicContact CB-CG 4.15Å; W564-F601 HydrophobicContact CB-CZ 4.32Å; W564-F601 HydrophobicContact CG-CD1 4.45Å; W564-F601 HydrophobicContact CG-CE1 4.24Å; W564-F601 HydrophobicContact CG-CZ 4.29Å; A567-F601 HydrophobicContact CB-CB 3.95Å; N599-F601 VanDerWaalsContact C-N 3.26Å; N599-F601 PolarHBondContact O-N 3.37Å; N599-F601 WeakPolarHBondContact OD1-CA 3.31Å; N599-F601 VanDerWaalsContact OD1-CB 3.27Å; N599-F601 WeakPolarHBondContact OD1-CB 3.06Å; N599-F601 PolarHBondContact OD1-N 3.03Å; F601-L604 PolarHBondContact O-N 3.45Å; F601-A605 VanDerWaalsContact O-CB 3.24Å; F601-A605 WeakPolarHBondContact O-CB 3.21Å; F601-A605 PolarHBondContact O-N 2.95Å
602	T	93.6	Very high	93.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-68.1	-34.9	176.5	51.8	0	0	0	0	112.2	C563 L588 L591 N592 N599 L606	C563-T602 HydrophobicContact CB-CG2 3.88Å; C563-T602 WeakPolarHBondContact SG-CG2 3.35Å; L588-T602 HydrophobicContact CD2-CG2 4.38Å; L591-T602 HydrophobicContact CB-CG2 4.49Å; L591-T602 HydrophobicContact CD1-CG2 4.32Å; N592-T602 PolarHBondContact ND2-O 3.1Å; N592-T602 WeakPolarHBondContact OD1-CB 3.28Å; N592-T602 PolarHBondContact OD1-OG1 3.39Å; N599-T602 PolarHBondContact N-OG1 3.49Å; N599-T602 PolarHBondContact O-N 3.39Å; N599-T602 PolarHBondContact O-OG1 2.99Å; N599-T602 PolarHBondContact OD1-N 3.27Å; T602-L606 VanDerWaalsContact O-CB 3.3Å; T602-L606 WeakPolarHBondContact O-CB 3.18Å; T602-L606 PolarHBondContact O-N 2.81Å
603	E	94	Very high	93.8	Very high	82 Å²	82	64.3 Å²	64.3	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-47.2	172.1	-68.4	-178.9	146.3	0	0	111.6	K598 N599 L606 K607	K598-E603 VanDerWaalsContact CE-CD 3.49Å; K598-E603 WeakPolarHBondContact CE-OE1 3.17Å; K598-E603 IonicContact NZ-OE1 2.73Å; K598-E603 PolarHBondContact NZ-OE1 2.73Å; N599-E603 PolarHBondContact O-N 3.45Å; E603-L606 PolarHBondContact O-N 3.5Å; E603-K607 PolarHBondContact O-N 3.25Å
604	L	96.2	Very high	93.9	Very high	69 Å²	69	58.3 Å²	58.3	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-44.8	179	179.8	60.5	0	0	0	112.1	A567 T600 F601 K607 R608	A567-L604 HydrophobicContact CB-CD2 4.43Å; T600-L604 WeakPolarHBondContact O-CB 3.45Å; T600-L604 PolarHBondContact O-N 2.89Å; F601-L604 PolarHBondContact O-N 3.45Å; L604-K607 PolarHBondContact O-N 3.18Å; L604-R608 HydrophobicContact CD1-CG 4.47Å; L604-R608 WeakPolarHBondContact O-CG 3.46Å; L604-R608 PolarHBondContact O-N 3.21Å
605	A	96.1	Very high	94	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-48.1	175.7	0	0	0	0	0	111.2	I566 A567 L588 F601 K607 R608 V609	I566-A605 HydrophobicContact CG2-CB 3.75Å; A567-A605 HydrophobicContact CB-CB 4.37Å; L588-A605 HydrophobicContact CD1-CB 4.04Å; L588-A605 HydrophobicContact CD2-CB 4.11Å; F601-A605 VanDerWaalsContact O-CB 3.24Å; F601-A605 WeakPolarHBondContact O-CB 3.21Å; F601-A605 PolarHBondContact O-N 2.95Å; A605-K607 VanDerWaalsContact C-N 3.33Å; A605-K607 PolarHBondContact O-N 3.32Å; A605-R608 PolarHBondContact O-N 2.87Å; A605-V609 VanDerWaalsContact O-CG2 3.24Å; A605-V609 WeakPolarHBondContact O-CG2 3.44Å; A605-V609 PolarHBondContact O-N 3.21Å
606	L	95.8	Very high	94.3	Very high	21 Å²	21	50 Å²	50	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-45.5	178.6	177.2	60.6	0	0	0	111.2	I585 L588 Q589 N592 T602 E603 R608 V609 L610	I585-L606 HydrophobicContact CG2-CD1 4.12Å; L588-L606 HydrophobicContact CB-CB 4.15Å; L588-L606 HydrophobicContact CB-CD1 4.2Å; L588-L606 HydrophobicContact CD1-CB 4.44Å; Q589-L606 HydrophobicContact CG-CD1 3.74Å; Q589-L606 HydrophobicContact CG-CD2 3.48Å; Q589-L606 VanDerWaalsContact CG-CD2 3.48Å; Q589-L606 HydrophobicContact CG-CG 4.27Å; N592-L606 WeakPolarHBondContact ND2-CD2 3.24Å; T602-L606 VanDerWaalsContact O-CB 3.3Å; T602-L606 WeakPolarHBondContact O-CB 3.18Å; T602-L606 PolarHBondContact O-N 2.81Å; E603-L606 PolarHBondContact O-N 3.5Å; L606-R608 PolarHBondContact O-N 3.17Å; L606-V609 PolarHBondContact O-N 3.42Å; L606-L610 HydrophobicContact CD1-CD1 4.02Å; L606-L610 HydrophobicContact CD1-CG 4.1Å; L606-L610 HydrophobicContact CG-CD1 4.03Å; L606-L610 HydrophobicContact CG-CG 4.5Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.37Å; L606-L610 PolarHBondContact O-N 3.48Å
607	K	95.1	Very high	94.5	Very high	126 Å²	126	45.4 Å²	45.4	55%	0.548	22%	0.217	S	C	.	.	H	α-helix	trans	-55.6	-51.1	176.5	-177.3	-176.5	174.9	-177.2	0	111.1	E603 L604 A605 V609 L610 D611	E603-K607 PolarHBondContact O-N 3.25Å; L604-K607 PolarHBondContact O-N 3.18Å; A605-K607 VanDerWaalsContact C-N 3.33Å; A605-K607 PolarHBondContact O-N 3.32Å; K607-V609 PolarHBondContact O-N 2.83Å; K607-L610 PolarHBondContact O-N 3.02Å; K607-D611 PolarHBondContact O-N 3.43Å
608	R	96	Very high	94.8	Very high	81 Å²	81	40.8 Å²	40.8	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-38	-178.7	-73.3	176.1	169.1	174.1	-4.4	113.5	A567 T570 L604 A605 L606 D611 A612	A567-R608 PolarHBondContact O-NH1 3.13Å; T570-R608 WeakPolarHBondContact O-CB 3.4Å; L604-R608 HydrophobicContact CD1-CG 4.47Å; L604-R608 WeakPolarHBondContact O-CG 3.46Å; L604-R608 PolarHBondContact O-N 3.21Å; A605-R608 PolarHBondContact O-N 2.87Å; L606-R608 PolarHBondContact O-N 3.17Å; R608-D611 PolarHBondContact O-N 3.4Å; R608-A612 PolarHBondContact O-N 3.28Å
609	V	96.3	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-40.6	175.7	177.1	0	0	0	0	111.1	T570 L579 I585 L588 A605 L606 K607 A612 N613	T570-V609 HydrophobicContact CG2-CG2 3.79Å; L579-V609 HydrophobicContact CB-CG2 4.31Å; L579-V609 HydrophobicContact CD2-CG2 3.69Å; L579-V609 HydrophobicContact CG-CG2 4.33Å; I585-V609 HydrophobicContact CD1-CG1 4.11Å; I585-V609 HydrophobicContact CG1-CG1 3.51Å; L588-V609 HydrophobicContact CD1-CG2 4.22Å; A605-V609 VanDerWaalsContact O-CG2 3.24Å; A605-V609 WeakPolarHBondContact O-CG2 3.44Å; A605-V609 PolarHBondContact O-N 3.21Å; L606-V609 PolarHBondContact O-N 3.42Å; K607-V609 PolarHBondContact O-N 2.83Å; V609-A612 PolarHBondContact O-N 3.41Å; V609-N613 PolarHBondContact O-N 3.35Å; V609-N613 VanDerWaalsContact O-N 3.09Å
610	L	95.6	Very high	95.2	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-41.4	174.7	-66.3	173.9	0	0	0	111.3	I585 L606 K607 A612 N613 A616 K617 L620 T621	I585-L610 HydrophobicContact CD1-CD2 3.99Å; I585-L610 HydrophobicContact CG1-CD2 4.4Å; I585-L610 HydrophobicContact CG2-CD2 4.15Å; L606-L610 HydrophobicContact CD1-CD1 4.02Å; L606-L610 HydrophobicContact CD1-CG 4.1Å; L606-L610 HydrophobicContact CG-CD1 4.03Å; L606-L610 HydrophobicContact CG-CG 4.5Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.37Å; L606-L610 PolarHBondContact O-N 3.48Å; K607-L610 PolarHBondContact O-N 3.02Å; L610-A612 PolarHBondContact O-N 3.31Å; L610-N613 CarbonylContact O-C 3.52Å; L610-N613 PolarHBondContact O-N 3.31Å; L610-N613 VanDerWaalsContact O-O 3.08Å; L610-A616 HydrophobicContact CD2-CB 4.38Å; L610-K617 HydrophobicContact CB-CB 4Å; L610-K617 HydrophobicContact CB-CD 4.42Å; L610-K617 HydrophobicContact CB-CG 4.09Å; L610-K617 WeakPolarHBondContact O-CB 3.33Å; L610-L620 HydrophobicContact CD2-CD1 4.05Å; L610-T621 HydrophobicContact CD1-CG2 4.23Å
611	D	94.8	Very high	95.2	Very high	59 Å²	59	34.4 Å²	34.4	32%	0.316	17%	0.169	S	C	.	.	H	α-helix	trans	-60.5	-27.6	174.8	-64.5	-18.4	0	0	0	111.9	K607 R608 L614 K617	K607-D611 PolarHBondContact O-N 3.43Å; R608-D611 PolarHBondContact O-N 3.4Å; D611-L614 WeakPolarHBondContact O-CD2 3.49Å; D611-K617 WeakPolarHBondContact OD1-CE 3.49Å; D611-K617 IonicContact OD1-NZ 2.8Å; D611-K617 PolarHBondContact OD1-NZ 3.26Å
612	A	94.3	Very high	95.2	Very high	18 Å²	18	31.1 Å²	31.1	15%	0.149	16%	0.156	C	C	.	.	H	α-helix	trans	-85.2	-18.7	174.2	0	0	0	0	0	114.4	A576 V577 R608 V609 L610	A576-A612 HydrophobicContact CB-CB 3.46Å; A576-A612 VanDerWaalsContact CB-CB 3.46Å; V577-A612 HydrophobicContact CG2-CB 4.06Å; R608-A612 PolarHBondContact O-N 3.28Å; V609-A612 PolarHBondContact O-N 3.41Å; L610-A612 PolarHBondContact O-N 3.31Å
613	N	94.5	Very high	95.3	Very high	30 Å²	30	35.2 Å²	35.2	16%	0.16	17%	0.171	C	C	.	.			trans	-126.7	82.3	177.8	-175.3	-13.5	0	0	0	110.4	S580 V609 L610 M615 A616 K617	S580-N613 PolarHBondContact OG-ND2 3.13Å; V609-N613 PolarHBondContact O-N 3.35Å; V609-N613 VanDerWaalsContact O-N 3.09Å; L610-N613 CarbonylContact O-C 3.52Å; L610-N613 PolarHBondContact O-N 3.31Å; L610-N613 VanDerWaalsContact O-O 3.08Å; N613-M615 PolarHBondContact O-N 2.99Å; N613-M615 PolarHBondContact OD1-N 3.16Å; N613-A616 HydrophobicContact CB-CB 4.19Å; N613-A616 PolarHBondContact O-N 3.44Å; N613-A616 VanDerWaalsContact O-N 3.14Å; N613-A616 PolarHBondContact OD1-N 3.07Å; N613-A616 VanDerWaalsContact OD1-N 3.13Å; N613-K617 PolarHBondContact O-N 3.17Å
614	L	95.5	Very high	95.5	Very high	18 Å²	18	31.3 Å²	31.3	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-28	-174.7	-59.3	-173	0	0	0	113.6	D611 K617 F618 L624 D628 H629 F634	D611-L614 WeakPolarHBondContact O-CD2 3.49Å; L614-K617 HydrophobicContact CD2-CD 4.07Å; L614-K617 PolarHBondContact O-N 2.84Å; L614-F618 WeakPolarHBondContact O-CB 3.49Å; L614-F618 PolarHBondContact O-N 3.48Å; L614-L624 HydrophobicContact CB-CD2 4.17Å; L614-L624 HydrophobicContact CD2-CD2 4.27Å; L614-D628 HydrophobicContact CD1-CB 4.16Å; L614-D628 HydrophobicContact CD2-CB 4.01Å; L614-D628 VanDerWaalsContact CD2-OD1 3.29Å; L614-D628 WeakPolarHBondContact CD2-OD1 3.26Å; L614-H629 WeakPolarHBondContact CD1-O 3.29Å; L614-F634 HydrophobicContact CB-CE2 4.22Å
615	M	94.9	Very high	95.4	Very high	29 Å²	29	29.6 Å²	29.6	14%	0.143	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-47.4	176.9	-55	77	175.9	0	0	110	N613 A619 P631 L633 F634 Y635 F646	N613-M615 PolarHBondContact O-N 2.99Å; N613-M615 PolarHBondContact OD1-N 3.16Å; M615-A619 VanDerWaalsContact O-CB 3.24Å; M615-A619 WeakPolarHBondContact O-CB 3.42Å; M615-A619 PolarHBondContact O-N 2.89Å; M615-P631 HydrophobicContact CE-CG 3.57Å; M615-L633 WeakPolarHBondContact CE-O 3.43Å; M615-F634 HydrophobicContact CE-CB 4.2Å; M615-F634 HydrophobicContact CE-CD2 4.03Å; M615-F634 HydrophobicContact CG-CD2 3.77Å; M615-F634 HydrophobicContact CG-CE2 4.05Å; M615-F634 HydrophobicContact CG-CG 4.35Å; M615-F634 HydrophobicContact SD-CD2 4.22Å; M615-Y635 HydrophobicContact CB-CD1 4.33Å; M615-Y635 HydrophobicContact CB-CE1 3.92Å; M615-Y635 HydrophobicContact CB-CE2 4.5Å; M615-Y635 HydrophobicContact CG-CD1 3.84Å; M615-Y635 HydrophobicContact CG-CE1 3.71Å; M615-F646 HydrophobicContact CB-CE2 4.46Å; M615-F646 HydrophobicContact CB-CZ 3.97Å
616	A	95	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-41.4	174.5	0	0	0	0	0	111.6	I585 L610 N613 A619 L620 F646	I585-A616 HydrophobicContact CD1-CB 3.63Å; L610-A616 HydrophobicContact CD2-CB 4.38Å; N613-A616 HydrophobicContact CB-CB 4.19Å; N613-A616 PolarHBondContact O-N 3.44Å; N613-A616 VanDerWaalsContact O-N 3.14Å; N613-A616 PolarHBondContact OD1-N 3.07Å; N613-A616 VanDerWaalsContact OD1-N 3.13Å; A616-A619 PolarHBondContact O-N 3.27Å; A616-L620 HydrophobicContact CB-CD1 4.46Å; A616-L620 VanDerWaalsContact O-CB 3.27Å; A616-L620 WeakPolarHBondContact O-CB 3.22Å; A616-L620 VanDerWaalsContact O-CG 3.22Å; A616-L620 WeakPolarHBondContact O-CG 3.36Å; A616-L620 PolarHBondContact O-N 3.27Å; A616-F646 VanDerWaalsContact CA-CE2 3.48Å; A616-F646 HydrophobicContact CB-CD1 4.14Å; A616-F646 HydrophobicContact CB-CD2 4.4Å; A616-F646 HydrophobicContact CB-CE1 3.76Å; A616-F646 HydrophobicContact CB-CE2 4.07Å; A616-F646 HydrophobicContact CB-CG 4.45Å; A616-F646 HydrophobicContact CB-CZ 3.73Å
617	K	96	Very high	95.3	Very high	12 Å²	12	36 Å²	36	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-53.6	-58.2	174.5	-173	173.2	175	174.7	0	110.2	L610 D611 N613 L614 A619 L620 T621 L624 D625 D628	L610-K617 HydrophobicContact CB-CB 4Å; L610-K617 HydrophobicContact CB-CD 4.42Å; L610-K617 HydrophobicContact CB-CG 4.09Å; L610-K617 WeakPolarHBondContact O-CB 3.33Å; D611-K617 WeakPolarHBondContact OD1-CE 3.49Å; D611-K617 IonicContact OD1-NZ 2.8Å; D611-K617 PolarHBondContact OD1-NZ 3.26Å; N613-K617 PolarHBondContact O-N 3.17Å; L614-K617 HydrophobicContact CD2-CD 4.07Å; L614-K617 PolarHBondContact O-N 2.84Å; K617-A619 PolarHBondContact O-N 3.1Å; K617-L620 PolarHBondContact O-N 3.48Å; K617-T621 WeakPolarHBondContact O-CB 3.24Å; K617-T621 WeakPolarHBondContact O-CG2 3.43Å; K617-T621 PolarHBondContact O-N 3.49Å; K617-T621 PolarHBondContact O-OG1 2.98Å; K617-L624 HydrophobicContact CB-CD2 4.24Å; K617-L624 HydrophobicContact CD-CD2 4.06Å; K617-L624 HydrophobicContact CG-CD2 4.12Å; K617-D625 IonicContact NZ-OD2 2.68Å; K617-D628 WeakPolarHBondContact CE-OD2 3.15Å; K617-D628 IonicContact NZ-OD1 2.72Å; K617-D628 PolarHBondContact NZ-OD1 3.24Å; K617-D628 IonicContact NZ-OD2 3.51Å; K617-D628 PolarHBondContact NZ-OD2 3.29Å
618	F	96.5	Very high	95.3	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-39	-177.1	-170.1	-123.3	0	0	0	113	L614 L620 G622 L624 F634 L785 L804 R806	L614-F618 WeakPolarHBondContact O-CB 3.49Å; L614-F618 PolarHBondContact O-N 3.48Å; F618-L620 VanDerWaalsContact C-N 3.35Å; F618-L620 PolarHBondContact O-N 2.95Å; F618-G622 WeakPolarHBondContact CE2-O 3.44Å; F618-G622 WeakPolarHBondContact O-CA 3.17Å; F618-G622 PolarHBondContact O-N 3.27Å; F618-L624 HydrophobicContact CB-CD1 4.25Å; F618-L624 HydrophobicContact CB-CD2 3.88Å; F618-L624 HydrophobicContact CB-CG 3.91Å; F618-L624 HydrophobicContact CD2-CD1 4.46Å; F618-L624 HydrophobicContact CD2-CG 3.88Å; F618-L624 HydrophobicContact CG-CD1 4.39Å; F618-L624 HydrophobicContact CG-CG 4.13Å; F618-F634 HydrophobicContact CB-CZ 4.16Å; F618-F634 HydrophobicContact CD1-CZ 4.11Å; F618-F634 HydrophobicContact CG-CZ 4.44Å; F618-L785 HydrophobicContact CE1-CD1 4.18Å; F618-L785 HydrophobicContact CZ-CD1 4.19Å; F618-L804 HydrophobicContact CD1-CD2 4.38Å; F618-L804 HydrophobicContact CD2-CD2 4.17Å; F618-L804 HydrophobicContact CD2-CG 4.37Å; F618-L804 HydrophobicContact CE1-CD2 3.88Å; F618-L804 HydrophobicContact CE2-CB 4.47Å; F618-L804 HydrophobicContact CE2-CD2 3.68Å; F618-L804 HydrophobicContact CE2-CG 3.58Å; F618-L804 HydrophobicContact CZ-CD1 4.34Å; F618-L804 HydrophobicContact CZ-CD2 3.51Å; F618-L804 HydrophobicContact CZ-CG 3.66Å; F618-R806 HydrophobicContact CE2-CB 4.28Å; F618-R806 HydrophobicContact CZ-CB 4.25Å
619	A	95.4	Very high	95.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-38.7	177.2	0	0	0	0	0	112.4	M615 A616 K617 P637 Q639 I640 F646	M615-A619 VanDerWaalsContact O-CB 3.24Å; M615-A619 WeakPolarHBondContact O-CB 3.42Å; M615-A619 PolarHBondContact O-N 2.89Å; A616-A619 PolarHBondContact O-N 3.27Å; K617-A619 PolarHBondContact O-N 3.1Å; A619-P637 HydrophobicContact CB-CG 4.15Å; A619-Q639 CarbonylContact O-C 3.54Å; A619-Q639 WeakPolarHBondContact O-CA 3.27Å; A619-Q639 PolarHBondContact O-NE2 3.48Å; A619-I640 HydrophobicContact CB-CD1 4.31Å; A619-I640 PolarHBondContact O-N 2.91Å; A619-F646 HydrophobicContact CB-CD2 3.76Å; A619-F646 HydrophobicContact CB-CE2 3.77Å
620	L	94.1	Very high	95.2	Very high	22 Å²	22	31.8 Å²	31.8	12%	0.115	17%	0.166	C	C	.	.	H	α-helix	trans	-90.7	-34.5	-174	-64.3	170.4	0	0	0	113.7	I585 L610 A616 K617 F618 Q639 I640 P643	I585-L620 HydrophobicContact CG2-CD1 3.61Å; L610-L620 HydrophobicContact CD2-CD1 4.05Å; A616-L620 HydrophobicContact CB-CD1 4.46Å; A616-L620 VanDerWaalsContact O-CB 3.27Å; A616-L620 WeakPolarHBondContact O-CB 3.22Å; A616-L620 VanDerWaalsContact O-CG 3.22Å; A616-L620 WeakPolarHBondContact O-CG 3.36Å; A616-L620 PolarHBondContact O-N 3.27Å; K617-L620 PolarHBondContact O-N 3.48Å; F618-L620 VanDerWaalsContact C-N 3.35Å; F618-L620 PolarHBondContact O-N 2.95Å; L620-Q639 PolarHBondContact O-NE2 3.32Å; L620-I640 HydrophobicContact CD2-CB 4.11Å; L620-I640 HydrophobicContact CD2-CG2 3.85Å; L620-P643 HydrophobicContact CD1-CB 4.19Å; L620-P643 HydrophobicContact CD2-CB 4.22Å
621	T	93.9	Very high	95.1	Very high	69 Å²	69	33.6 Å²	33.6	42%	0.423	18%	0.179	S	C	.	.	H	α-helix	trans	-102.1	-19.4	-176.9	72.3	0	0	0	0	112.9	L610 K617 Y623	L610-T621 HydrophobicContact CD1-CG2 4.23Å; K617-T621 WeakPolarHBondContact O-CB 3.24Å; K617-T621 WeakPolarHBondContact O-CG2 3.43Å; K617-T621 PolarHBondContact O-N 3.49Å; K617-T621 PolarHBondContact O-OG1 2.98Å; T621-Y623 PolarHBondContact O-N 3.09Å; T621-Y623 PolarHBondContact OG1-N 3Å; T621-Y623 PolarHBondContact OG1-O 3.17Å; T621-Y623 VanDerWaalsContact OG1-O 3.06Å
622	G	95.3	Very high	95.1	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	18%	0.182	C	C	.	.	S	Bend	trans	67.6	14.5	-169.9	0	0	0	0	0	113.3	F618 I805 R806	F618-G622 WeakPolarHBondContact CE2-O 3.44Å; F618-G622 WeakPolarHBondContact O-CA 3.17Å; F618-G622 PolarHBondContact O-N 3.27Å; G622-I805 CarbonylContact O-C 3.14Å; G622-R806 WeakPolarHBondContact O-CB 3.35Å; G622-R806 PolarHBondContact O-N 3.4Å
623	Y	96.2	Very high	95.1	Very high	86 Å²	86	35.1 Å²	35.1	34%	0.337	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.1	-170.4	-179.2	-104.6	0	0	0	112.3	T621 D625 N803 L804 I805	T621-Y623 PolarHBondContact O-N 3.09Å; T621-Y623 PolarHBondContact OG1-N 3Å; T621-Y623 PolarHBondContact OG1-O 3.17Å; T621-Y623 VanDerWaalsContact OG1-O 3.06Å; Y623-D625 HydrophobicContact CE1-CB 3.58Å; Y623-N803 HydrophobicContact CE2-CB 4.1Å; Y623-L804 WeakPolarHBondContact CA-O 3.5Å; Y623-I805 HydrophobicContact CD2-CD1 4.38Å; Y623-I805 HydrophobicContact CD2-CG1 3.91Å; Y623-I805 HydrophobicContact CE2-CD1 4.22Å; Y623-I805 HydrophobicContact CE2-CG1 4.07Å
624	L	97.5	Very high	95.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.7	160.1	-59.7	179.4	0	0	0	108.4	L614 K617 F618 D628 I630 F634 N803 L804	L614-L624 HydrophobicContact CB-CD2 4.17Å; L614-L624 HydrophobicContact CD2-CD2 4.27Å; K617-L624 HydrophobicContact CB-CD2 4.24Å; K617-L624 HydrophobicContact CD-CD2 4.06Å; K617-L624 HydrophobicContact CG-CD2 4.12Å; F618-L624 HydrophobicContact CB-CD1 4.25Å; F618-L624 HydrophobicContact CB-CD2 3.88Å; F618-L624 HydrophobicContact CB-CG 3.91Å; F618-L624 HydrophobicContact CD2-CD1 4.46Å; F618-L624 HydrophobicContact CD2-CG 3.88Å; F618-L624 HydrophobicContact CG-CD1 4.39Å; F618-L624 HydrophobicContact CG-CG 4.13Å; L624-D628 VanDerWaalsContact CA-OD2 3.28Å; L624-D628 WeakPolarHBondContact CA-OD2 3.18Å; L624-D628 HydrophobicContact CB-CB 4Å; L624-D628 HydrophobicContact CD2-CB 4.38Å; L624-I630 HydrophobicContact CD1-CD1 4.47Å; L624-I630 HydrophobicContact CD1-CG1 4.16Å; L624-F634 HydrophobicContact CD1-CE2 4.28Å; L624-F634 HydrophobicContact CD1-CZ 4.3Å; L624-N803 CarbonylContact O-C 3.56Å; L624-N803 WeakPolarHBondContact O-CA 3.36Å; L624-N803 VanDerWaalsContact O-CB 3.28Å; L624-N803 WeakPolarHBondContact O-CB 3.38Å; L624-L804 HydrophobicContact CB-CB 4.2Å; L624-L804 HydrophobicContact CD1-CD2 4.16Å; L624-L804 PolarHBondContact N-O 2.89Å; L624-L804 PolarHBondContact O-N 3.44Å
625	D	95.3	Very high	95.1	Very high	33 Å²	33	33.7 Å²	33.7	18%	0.176	18%	0.175	C	C	.	.			trans	-82.1	-172.2	-177.5	71.2	30.9	0	0	0	112.9	K617 Y623 V627 D628 K792	K617-D625 IonicContact NZ-OD2 2.68Å; Y623-D625 HydrophobicContact CE1-CB 3.58Å; D625-V627 VanDerWaalsContact C-N 3.32Å; D625-V627 WeakPolarHBondContact OD1-CA 3.22Å; D625-V627 WeakPolarHBondContact OD1-CG2 3.41Å; D625-V627 PolarHBondContact OD1-N 3.28Å; D625-D628 PolarHBondContact N-OD2 2.99Å; D625-D628 VanDerWaalsContact OD1-CG 3.24Å; D625-D628 PolarHBondContact OD1-N 2.69Å; D625-K792 PolarHBondContact O-NZ 3.5Å
626	F	94.8	Very high	95.2	Very high	48 Å²	48	32.3 Å²	32.3	21%	0.211	17%	0.169	C	C	.	.	S	Bend	trans	-73.3	-19.3	-179	-60	-87	0	0	0	114.2	P801 N803 E815 L817 L831	F626-P801 HydrophobicContact CB-CB 4.45Å; F626-P801 HydrophobicContact CD1-CB 4.4Å; F626-N803 HydrophobicContact CD1-CB 4.43Å; F626-N803 HydrophobicContact CD2-CB 4.48Å; F626-N803 HydrophobicContact CE1-CB 4.21Å; F626-N803 HydrophobicContact CE2-CB 4.26Å; F626-N803 HydrophobicContact CZ-CB 4.11Å; F626-E815 WeakPolarHBondContact CE1-O 3.48Å; F626-L817 HydrophobicContact CD1-CD1 4.44Å; F626-L817 HydrophobicContact CE1-CD1 4.2Å; F626-L817 HydrophobicContact CE1-CG 4.02Å; F626-L817 HydrophobicContact CE2-CD1 4.3Å; F626-L817 HydrophobicContact CZ-CD1 4.14Å; F626-L817 HydrophobicContact CZ-CG 3.99Å; F626-L831 HydrophobicContact CZ-CD2 3.76Å
627	V	94.2	Very high	95.2	Very high	108 Å²	108	33.1 Å²	33.1	66%	0.655	17%	0.174	S	C	*	.	S	Bend	trans	-103.9	-12.2	-179.1	-60.4	0	0	0	0	112.9	D625 H629	D625-V627 VanDerWaalsContact C-N 3.32Å; D625-V627 WeakPolarHBondContact OD1-CA 3.22Å; D625-V627 WeakPolarHBondContact OD1-CG2 3.41Å; D625-V627 PolarHBondContact OD1-N 3.28Å; V627-H629 PolarHBondContact O-CE1 3.13Å; V627-H629 PolarHBondContact O-N 3.11Å; V627-H629 PolarHBondContact O-ND1 3.13Å
628	D	95.7	Very high	95	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	17%	0.173	C	C	.	.			trans	-69.3	116.8	170	-68.3	-37.2	0	0	0	109.8	L614 K617 L624 D625 K792	L614-D628 HydrophobicContact CD1-CB 4.16Å; L614-D628 HydrophobicContact CD2-CB 4.01Å; L614-D628 VanDerWaalsContact CD2-OD1 3.29Å; L614-D628 WeakPolarHBondContact CD2-OD1 3.26Å; K617-D628 WeakPolarHBondContact CE-OD2 3.15Å; K617-D628 IonicContact NZ-OD1 2.72Å; K617-D628 PolarHBondContact NZ-OD1 3.24Å; K617-D628 IonicContact NZ-OD2 3.51Å; K617-D628 PolarHBondContact NZ-OD2 3.29Å; L624-D628 VanDerWaalsContact CA-OD2 3.28Å; L624-D628 WeakPolarHBondContact CA-OD2 3.18Å; L624-D628 HydrophobicContact CB-CB 4Å; L624-D628 HydrophobicContact CD2-CB 4.38Å; D625-D628 PolarHBondContact N-OD2 2.99Å; D625-D628 VanDerWaalsContact OD1-CG 3.24Å; D625-D628 PolarHBondContact OD1-N 2.69Å; D628-K792 WeakPolarHBondContact O-CE 3.42Å; D628-K792 PolarHBondContact O-NZ 3.27Å
629	H	95	Very high	94.8	Very high	109 Å²	109	36.9 Å²	36.9	51%	0.505	19%	0.193	S	C	.	.			trans	-104.4	121.6	177.6	-65.6	61.1	0	0	0	109.8	L614 V627 P631 D796	L614-H629 WeakPolarHBondContact CD1-O 3.29Å; V627-H629 PolarHBondContact O-CE1 3.13Å; V627-H629 PolarHBondContact O-N 3.11Å; V627-H629 PolarHBondContact O-ND1 3.13Å; H629-P631 VanDerWaalsContact O-CD 3.29Å; H629-P631 WeakPolarHBondContact O-CD 3.47Å; H629-D796 WeakPolarHBondContact CA-OD2 3.48Å; H629-D796 HydrophobicContact CB-CB 4.48Å
630	I	95.7	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.			trans	-63	118.6	178.3	-63.9	-177.1	0	0	0	109.1	L624 F634 I666 L789 K792 L793 D796 R797	L624-I630 HydrophobicContact CD1-CD1 4.47Å; L624-I630 HydrophobicContact CD1-CG1 4.16Å; I630-F634 HydrophobicContact CG2-CB 3.65Å; I630-F634 HydrophobicContact CG2-CD1 4.31Å; I630-F634 HydrophobicContact CG2-CD2 4.07Å; I630-F634 HydrophobicContact CG2-CG 3.77Å; I630-I666 HydrophobicContact CG2-CD1 3.92Å; I630-L789 HydrophobicContact CD1-CD1 3.69Å; I630-K792 HydrophobicContact CD1-CB 3.97Å; I630-K792 HydrophobicContact CD1-CG 3.48Å; I630-K792 VanDerWaalsContact CD1-CG 3.48Å; I630-K792 HydrophobicContact CG1-CG 3.94Å; I630-L793 HydrophobicContact CB-CD1 4.05Å; I630-L793 HydrophobicContact CD1-CB 4.38Å; I630-L793 HydrophobicContact CG2-CD1 3.79Å; I630-D796 PolarHBondContact N-OD2 2.72Å; I630-R797 VanDerWaalsContact O-CZ 3.25Å; I630-R797 PolarHBondContact O-NH1 3.16Å; I630-R797 PolarHBondContact O-NH2 3.39Å
631	P	93.6	Very high	94.3	Very high	50 Å²	50	42.7 Å²	42.7	33%	0.325	23%	0.228	S	C	.	.			trans	-70.7	170	179.7	29.5	-35.6	0	0	0	112	M615 H629 L633 F634	M615-P631 HydrophobicContact CE-CG 3.57Å; H629-P631 VanDerWaalsContact O-CD 3.29Å; H629-P631 WeakPolarHBondContact O-CD 3.47Å; P631-L633 WeakPolarHBondContact CG-O 3.45Å; P631-L633 PolarHBondContact O-N 3.41Å; P631-F634 HydrophobicContact CG-CB 4.47Å
632	D	93.5	Very high	94	Very high	71 Å²	71	42.6 Å²	42.6	38%	0.38	23%	0.225	S	C	.	.	S	Bend	trans	-64.5	-19.5	-179.7	-71.9	-13.3	0	0	0	113.7	N667 L668 Q669 R797	D632-N667 CarbonylContact O-C 3.5Å; D632-N667 WeakPolarHBondContact O-CA 3.31Å; D632-L668 HydrophobicContact CB-CB 4.06Å; D632-L668 PolarHBondContact O-N 3.32Å; D632-Q669 HydrophobicContact CB-CG 3.93Å; D632-R797 IonicContact OD1-CZ 3.97Å; D632-R797 IonicContact OD1-NE 3.93Å; D632-R797 IonicContact OD1-NH2 3.83Å; D632-R797 PolarHBondContact OD1-NH2 2.78Å
633	L	93.9	Very high	93.6	Very high	39 Å²	39	42.9 Å²	42.9	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.4	170.3	-176.6	67.1	0	0	0	108.9	M615 P631 L649 L665 I666 N667 Y706	M615-L633 WeakPolarHBondContact CE-O 3.43Å; P631-L633 WeakPolarHBondContact CG-O 3.45Å; P631-L633 PolarHBondContact O-N 3.41Å; L633-L649 HydrophobicContact CD1-CD2 3.83Å; L633-L649 HydrophobicContact CD2-CD2 4.09Å; L633-L649 HydrophobicContact CG-CD2 4.12Å; L633-L665 HydrophobicContact CD1-CD1 4.08Å; L633-I666 CarbonylContact C-O 3.47Å; L633-I666 WeakPolarHBondContact CA-O 3.03Å; L633-N667 HydrophobicContact CD1-CB 4.03Å; L633-Y706 HydrophobicContact CD1-CD2 4.21Å; L633-Y706 HydrophobicContact CD2-CD2 4.48Å; L633-Y706 HydrophobicContact CD2-CE2 4.23Å
634	F	95.6	Very high	93.2	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.1	179.1	179.4	-85.9	0	0	0	110.3	L614 M615 F618 L624 I630 P631 D636 I666 L789	L614-F634 HydrophobicContact CB-CE2 4.22Å; M615-F634 HydrophobicContact CE-CB 4.2Å; M615-F634 HydrophobicContact CE-CD2 4.03Å; M615-F634 HydrophobicContact CG-CD2 3.77Å; M615-F634 HydrophobicContact CG-CE2 4.05Å; M615-F634 HydrophobicContact CG-CG 4.35Å; M615-F634 HydrophobicContact SD-CD2 4.22Å; F618-F634 HydrophobicContact CB-CZ 4.16Å; F618-F634 HydrophobicContact CD1-CZ 4.11Å; F618-F634 HydrophobicContact CG-CZ 4.44Å; L624-F634 HydrophobicContact CD1-CE2 4.28Å; L624-F634 HydrophobicContact CD1-CZ 4.3Å; I630-F634 HydrophobicContact CG2-CB 3.65Å; I630-F634 HydrophobicContact CG2-CD1 4.31Å; I630-F634 HydrophobicContact CG2-CD2 4.07Å; I630-F634 HydrophobicContact CG2-CG 3.77Å; P631-F634 HydrophobicContact CG-CB 4.47Å; F634-D636 HydrophobicContact CE1-CB 4.35Å; F634-I666 HydrophobicContact CB-CB 4.17Å; F634-I666 HydrophobicContact CB-CD1 4.35Å; F634-I666 HydrophobicContact CD1-CD1 4.09Å; F634-I666 PolarHBondContact N-O 2.98Å; F634-I666 PolarHBondContact O-N 3.18Å; F634-L789 HydrophobicContact CD1-CD1 4.19Å; F634-L789 HydrophobicContact CE1-CD1 3.74Å
635	Y	95.9	Very high	92.8	Very high	16 Å²	16	47.5 Å²	47.5	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.1	175.9	65.4	-82.3	0	0	0	112.1	M615 F646 L647 L649 Y652 I663 F664	M615-Y635 HydrophobicContact CB-CD1 4.33Å; M615-Y635 HydrophobicContact CB-CE1 3.92Å; M615-Y635 HydrophobicContact CB-CE2 4.5Å; M615-Y635 HydrophobicContact CG-CD1 3.84Å; M615-Y635 HydrophobicContact CG-CE1 3.71Å; Y635-F646 HydrophobicContact CE2-CE2 4.26Å; Y635-F646 HydrophobicContact CE2-CZ 4.07Å; Y635-F646 AromaticContact CZ-CZ 3.83Å; Y635-F646 WeakPolarHBondContact OH-CE1 2.98Å; Y635-F646 WeakPolarHBondContact OH-CZ 3.5Å; Y635-L647 PolarHBondContact OH-O 3.1Å; Y635-L649 HydrophobicContact CD1-CB 3.93Å; Y635-L649 HydrophobicContact CD1-CD1 4.02Å; Y635-L649 HydrophobicContact CD1-CD2 4.3Å; Y635-L649 HydrophobicContact CD1-CG 4.3Å; Y635-L649 HydrophobicContact CE1-CB 3.8Å; Y635-L649 HydrophobicContact CG-CD1 3.96Å; Y635-Y652 HydrophobicContact CD2-CD2 4.22Å; Y635-Y652 HydrophobicContact CD2-CE2 4.32Å; Y635-Y652 AromaticContact CE2-CD2 3.91Å; Y635-Y652 HydrophobicContact CE2-CD2 3.91Å; Y635-Y652 AromaticContact CE2-CE2 3.83Å; Y635-Y652 HydrophobicContact CE2-CE2 3.83Å; Y635-I663 HydrophobicContact CD2-CG2 4.04Å; Y635-I663 HydrophobicContact CG-CG2 4.46Å; Y635-F664 CarbonylContact C-O 3.59Å; Y635-F664 WeakPolarHBondContact CA-O 3.3Å
636	D	96.1	Very high	92.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	103.2	176.8	175.2	46.3	0	0	0	111.5	F634 G638 R661 F664 L785 R806	F634-D636 HydrophobicContact CE1-CB 4.35Å; D636-G638 PolarHBondContact O-N 2.84Å; D636-G638 WeakPolarHBondContact OD1-CA 3.35Å; D636-G638 PolarHBondContact OD1-N 3.21Å; D636-R661 PolarHBondContact O-NH1 3.08Å; D636-R661 IonicContact OD2-CZ 3.59Å; D636-R661 IonicContact OD2-NH1 2.82Å; D636-R661 IonicContact OD2-NH2 3.06Å; D636-R661 PolarHBondContact OD2-NH2 3.11Å; D636-F664 HydrophobicContact CB-CB 4.43Å; D636-F664 PolarHBondContact N-O 3.29Å; D636-F664 PolarHBondContact O-N 2.62Å; D636-F664 VanDerWaalsContact O-N 3.1Å; D636-L785 WeakPolarHBondContact OD2-CD2 3.4Å; D636-R806 IonicContact OD1-CZ 3.46Å; D636-R806 IonicContact OD1-NH2 3.17Å; D636-R806 PolarHBondContact OD1-NH2 3.43Å; D636-R806 IonicContact OD2-CZ 3.51Å; D636-R806 IonicContact OD2-NH1 2.71Å; D636-R806 IonicContact OD2-NH2 2.87Å; D636-R806 PolarHBondContact OD2-NH2 3.05Å
637	P	94.3	Very high	92.5	Very high	17 Å²	17	47.4 Å²	47.4	11%	0.11	26%	0.259	C	S	.	.			trans	-76.9	-8.1	173	33.1	-33.8	0	0	0	112.8	A619 I640 F646 Y652 R661 I663	A619-P637 HydrophobicContact CB-CG 4.15Å; P637-I640 HydrophobicContact CB-CD1 4.33Å; P637-I640 HydrophobicContact CG-CD1 3.79Å; P637-F646 HydrophobicContact CG-CE2 4.4Å; P637-Y652 HydrophobicContact CB-CE1 4.33Å; P637-Y652 HydrophobicContact CB-CE2 3.81Å; P637-Y652 WeakPolarHBondContact CB-OH 3.36Å; P637-Y652 HydrophobicContact CG-CE2 4.17Å; P637-R661 VanDerWaalsContact C-NH1 3.26Å; P637-R661 PolarHBondContact O-NH1 3.39Å; P637-I663 HydrophobicContact CB-CG1 4.47Å
638	G	92.7	Very high	92.3	Very high	4 Å²	4	45.5 Å²	45.5	4%	0.041	25%	0.248	C	C	.	.			trans	102.8	-178.2	-171.6	0	0	0	0	0	112.3	D636 I640	D636-G638 PolarHBondContact O-N 2.84Å; D636-G638 WeakPolarHBondContact OD1-CA 3.35Å; D636-G638 PolarHBondContact OD1-N 3.21Å; G638-I640 PolarHBondContact O-N 2.97Å
639	Q	92.4	Very high	92.2	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	25%	0.248	S	C	.	.			trans	-68.7	126	178.1	-172.3	68.5	38.7	0	0	110.2	A619 L620	A619-Q639 CarbonylContact O-C 3.54Å; A619-Q639 WeakPolarHBondContact O-CA 3.27Å; A619-Q639 PolarHBondContact O-NE2 3.48Å; L620-Q639 PolarHBondContact O-NE2 3.32Å
640	I	91.8	Very high	92	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	24%	0.236	C	C	.	.			trans	-114.9	130.7	175.7	-67	173.9	0	0	0	107.5	A619 L620 P637 G638 N642 Q645 F646	A619-I640 HydrophobicContact CB-CD1 4.31Å; A619-I640 PolarHBondContact O-N 2.91Å; L620-I640 HydrophobicContact CD2-CB 4.11Å; L620-I640 HydrophobicContact CD2-CG2 3.85Å; P637-I640 HydrophobicContact CB-CD1 4.33Å; P637-I640 HydrophobicContact CG-CD1 3.79Å; G638-I640 PolarHBondContact O-N 2.97Å; I640-N642 WeakPolarHBondContact CG2-O 3.44Å; I640-Q645 HydrophobicContact CG2-CB 4.06Å; I640-F646 HydrophobicContact CD1-CB 4.2Å; I640-F646 HydrophobicContact CD1-CD2 3.94Å
641	T	86.9	Confident	91.8	Very high	127 Å²	127	47 Å²	47	78%	0.779	26%	0.256	S	S	*	.	S	Bend	trans	-95.5	-25.7	179.8	55.3	0	0	0	0	112.6
642	N	88.5	Confident	91.8	Very high	67 Å²	67	45.6 Å²	45.6	36%	0.358	25%	0.245	S	C	.	.	S	Bend	trans	-114.1	116.6	178.4	-177.6	-13	0	0	0	109.5	I640 S644 Q645	I640-N642 WeakPolarHBondContact CG2-O 3.44Å; N642-S644 PolarHBondContact ND2-OG 2.97Å; N642-S644 PolarHBondContact O-N 3.38Å; N642-S644 VanDerWaalsContact O-N 3.11Å; N642-S644 WeakPolarHBondContact OD1-CB 3.34Å; N642-S644 PolarHBondContact OD1-N 3.45Å; N642-S644 PolarHBondContact OD1-OG 3.28Å; N642-S644 VanDerWaalsContact OD1-OG 3.05Å; N642-Q645 HydrophobicContact CB-CG 4.13Å; N642-Q645 WeakPolarHBondContact O-CB 3.31Å; N642-Q645 PolarHBondContact O-N 3.19Å
643	P	86.8	Confident	91.7	Very high	10 Å²	10	44.8 Å²	44.8	7%	0.065	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.5	-179.5	26.7	-39.2	0	0	0	113.9	I585 T586 Q589 L620 Q645 F646	I585-P643 HydrophobicContact CG2-CB 3.95Å; T586-P643 HydrophobicContact CG2-CG 4.21Å; Q589-P643 HydrophobicContact CB-CG 4.16Å; L620-P643 HydrophobicContact CD1-CB 4.19Å; L620-P643 HydrophobicContact CD2-CB 4.22Å; P643-Q645 PolarHBondContact O-N 3.05Å; P643-Q645 VanDerWaalsContact O-N 3.11Å; P643-F646 WeakPolarHBondContact O-CB 3.45Å; P643-F646 PolarHBondContact O-N 3.13Å
644	S	87.2	Confident	91.5	Very high	69 Å²	69	50.4 Å²	50.4	48%	0.483	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-67.9	-10.1	177.8	80.1	0	0	0	0	113.6	N642	N642-S644 PolarHBondContact ND2-OG 2.97Å; N642-S644 PolarHBondContact O-N 3.38Å; N642-S644 VanDerWaalsContact O-N 3.11Å; N642-S644 WeakPolarHBondContact OD1-CB 3.34Å; N642-S644 PolarHBondContact OD1-N 3.45Å; N642-S644 PolarHBondContact OD1-OG 3.28Å; N642-S644 VanDerWaalsContact OD1-OG 3.05Å
645	Q	89.8	Confident	91.3	Very high	113 Å²	113	52.7 Å²	52.7	53%	0.528	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-97	-7.5	176.2	-60.9	177.5	-12	0	0	112.6	I640 N642 P643 L647	I640-Q645 HydrophobicContact CG2-CB 4.06Å; N642-Q645 HydrophobicContact CB-CG 4.13Å; N642-Q645 WeakPolarHBondContact O-CB 3.31Å; N642-Q645 PolarHBondContact O-N 3.19Å; P643-Q645 PolarHBondContact O-N 3.05Å; P643-Q645 VanDerWaalsContact O-N 3.11Å; Q645-L647 PolarHBondContact O-N 3.43Å
646	F	91.8	Very high	91.1	Very high	35 Å²	35	56.6 Å²	56.6	15%	0.154	31%	0.306	C	S	.	.			trans	-73.5	120.2	174.2	-178.1	-93.4	0	0	0	109.1	M615 A616 A619 Y635 P637 I640 P643	M615-F646 HydrophobicContact CB-CE2 4.46Å; M615-F646 HydrophobicContact CB-CZ 3.97Å; A616-F646 VanDerWaalsContact CA-CE2 3.48Å; A616-F646 HydrophobicContact CB-CD1 4.14Å; A616-F646 HydrophobicContact CB-CD2 4.4Å; A616-F646 HydrophobicContact CB-CE1 3.76Å; A616-F646 HydrophobicContact CB-CE2 4.07Å; A616-F646 HydrophobicContact CB-CG 4.45Å; A616-F646 HydrophobicContact CB-CZ 3.73Å; A619-F646 HydrophobicContact CB-CD2 3.76Å; A619-F646 HydrophobicContact CB-CE2 3.77Å; Y635-F646 HydrophobicContact CE2-CE2 4.26Å; Y635-F646 HydrophobicContact CE2-CZ 4.07Å; Y635-F646 AromaticContact CZ-CZ 3.83Å; Y635-F646 WeakPolarHBondContact OH-CE1 2.98Å; Y635-F646 WeakPolarHBondContact OH-CZ 3.5Å; P637-F646 HydrophobicContact CG-CE2 4.4Å; I640-F646 HydrophobicContact CD1-CB 4.2Å; I640-F646 HydrophobicContact CD1-CD2 3.94Å; P643-F646 WeakPolarHBondContact O-CB 3.45Å; P643-F646 PolarHBondContact O-N 3.13Å
647	L	91.3	Very high	90.8	Very high	45 Å²	45	59 Å²	59	24%	0.236	32%	0.32	C	S	.	.			trans	-107.2	152.1	-179.9	-55.1	176	0	0	0	110.1	Y635 Q645 E651 Y652	Y635-L647 PolarHBondContact OH-O 3.1Å; Q645-L647 PolarHBondContact O-N 3.43Å; L647-E651 HydrophobicContact CB-CB 3.88Å; L647-Y652 HydrophobicContact CB-CD1 4.39Å; L647-Y652 HydrophobicContact CB-CD2 4.01Å; L647-Y652 HydrophobicContact CB-CE1 4.05Å; L647-Y652 HydrophobicContact CB-CE2 3.65Å; L647-Y652 HydrophobicContact CB-CG 4.36Å; L647-Y652 HydrophobicContact CD1-CD1 4.18Å; L647-Y652 HydrophobicContact CD1-CE1 3.8Å; L647-Y652 HydrophobicContact CG-CE1 4.27Å; L647-Y652 WeakPolarHBondContact O-CE2 3.32Å
648	T	90.9	Very high	90.6	Very high	68 Å²	68	59.9 Å²	59.9	42%	0.417	32%	0.324	S	S	.	.			trans	-66.6	161.6	170.4	62.7	0	0	0	0	111.1	D650 E651 Y652	T648-D650 PolarHBondContact O-N 3.02Å; T648-E651 WeakPolarHBondContact CB-OE2 3.47Å; T648-E651 WeakPolarHBondContact CG2-OE2 3.34Å; T648-E651 PolarHBondContact N-OE2 3.2Å; T648-E651 PolarHBondContact O-N 3Å; T648-E651 VanDerWaalsContact OG1-CG 3.28Å; T648-E651 WeakPolarHBondContact OG1-CG 2.91Å; T648-E651 PolarHBondContact OG1-N 3.33Å; T648-E651 PolarHBondContact OG1-OE2 3.01Å; T648-Y652 VanDerWaalsContact O-CD2 3.3Å; T648-Y652 WeakPolarHBondContact O-CD2 3.14Å; T648-Y652 PolarHBondContact O-N 2.97Å
649	L	91.6	Very high	90.3	Very high	10 Å²	10	67.5 Å²	67.5	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-60	-33.5	176.9	-174.6	57.3	0	0	0	112	L633 Y635 Y652 N653 L665 Y706 L773	L633-L649 HydrophobicContact CD1-CD2 3.83Å; L633-L649 HydrophobicContact CD2-CD2 4.09Å; L633-L649 HydrophobicContact CG-CD2 4.12Å; Y635-L649 HydrophobicContact CD1-CB 3.93Å; Y635-L649 HydrophobicContact CD1-CD1 4.02Å; Y635-L649 HydrophobicContact CD1-CD2 4.3Å; Y635-L649 HydrophobicContact CD1-CG 4.3Å; Y635-L649 HydrophobicContact CE1-CB 3.8Å; Y635-L649 HydrophobicContact CG-CD1 3.96Å; L649-Y652 PolarHBondContact O-N 3.14Å; L649-N653 WeakPolarHBondContact O-CB 2.99Å; L649-N653 PolarHBondContact O-N 3.34Å; L649-L665 HydrophobicContact CD1-CD1 4.06Å; L649-L665 HydrophobicContact CD2-CD1 4Å; L649-Y706 HydrophobicContact CB-CE1 4.48Å; L649-Y706 HydrophobicContact CD2-CD1 4.1Å; L649-Y706 HydrophobicContact CD2-CD2 3.67Å; L649-Y706 HydrophobicContact CD2-CE1 3.93Å; L649-Y706 HydrophobicContact CD2-CE2 3.44Å; L649-Y706 VanDerWaalsContact CD2-CE2 3.44Å; L649-Y706 HydrophobicContact CD2-CG 3.98Å; L649-Y706 HydrophobicContact CG-CD1 4.05Å; L649-Y706 HydrophobicContact CG-CD2 4.45Å; L649-Y706 HydrophobicContact CG-CE1 3.64Å; L649-Y706 HydrophobicContact CG-CE2 4.06Å; L649-Y706 HydrophobicContact CG-CG 4.43Å; L649-L773 HydrophobicContact CD1-CD1 3.89Å; L649-L773 HydrophobicContact CD1-CD2 3.78Å
650	D	91.4	Very high	90.1	Very high	50 Å²	50	72 Å²	72	27%	0.267	38%	0.377	S	S	.	.	H	α-helix	trans	-63.3	-50.2	174.7	-75.7	-28.4	0	0	0	112.6	T648 Y652 N653 E654 K705 Y706	T648-D650 PolarHBondContact O-N 3.02Å; D650-Y652 PolarHBondContact O-N 3.26Å; D650-N653 WeakPolarHBondContact O-CB 3.24Å; D650-N653 PolarHBondContact O-N 3.3Å; D650-E654 WeakPolarHBondContact O-CG 3.45Å; D650-E654 PolarHBondContact O-N 3.12Å; D650-K705 VanDerWaalsContact OD1-CD 3.31Å; D650-K705 WeakPolarHBondContact OD1-CD 3.38Å; D650-K705 WeakPolarHBondContact OD1-CE 3.46Å; D650-K705 IonicContact OD1-NZ 2.77Å; D650-K705 PolarHBondContact OD1-NZ 3.19Å; D650-K705 IonicContact OD2-NZ 3.67Å; D650-K705 PolarHBondContact OD2-NZ 3Å; D650-Y706 VanDerWaalsContact CG-OH 3.29Å; D650-Y706 PolarHBondContact OD1-OH 2.95Å
651	E	92.2	Very high	89.9	Confident	89 Å²	89	75.8 Å²	75.8	42%	0.416	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-29.9	177.8	-71.6	166.7	128	0	0	112.4	L647 T648 Q655	L647-E651 HydrophobicContact CB-CB 3.88Å; T648-E651 WeakPolarHBondContact CB-OE2 3.47Å; T648-E651 WeakPolarHBondContact CG2-OE2 3.34Å; T648-E651 PolarHBondContact N-OE2 3.2Å; T648-E651 PolarHBondContact O-N 3Å; T648-E651 VanDerWaalsContact OG1-CG 3.28Å; T648-E651 WeakPolarHBondContact OG1-CG 2.91Å; T648-E651 PolarHBondContact OG1-N 3.33Å; T648-E651 PolarHBondContact OG1-OE2 3.01Å; E651-Q655 WeakPolarHBondContact O-CG 3.22Å; E651-Q655 PolarHBondContact O-NE2 2.82Å; E651-Q655 VanDerWaalsContact O-NE2 3.13Å
652	Y	92.8	Very high	90.1	Very high	21 Å²	21	70.3 Å²	70.3	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-75	-36.1	170.8	-76.4	-57.2	0	0	0	112.9	Y635 P637 L647 T648 L649 D650 E654 Q655 I663	Y635-Y652 HydrophobicContact CD2-CD2 4.22Å; Y635-Y652 HydrophobicContact CD2-CE2 4.32Å; Y635-Y652 AromaticContact CE2-CD2 3.91Å; Y635-Y652 HydrophobicContact CE2-CD2 3.91Å; Y635-Y652 AromaticContact CE2-CE2 3.83Å; Y635-Y652 HydrophobicContact CE2-CE2 3.83Å; P637-Y652 HydrophobicContact CB-CE1 4.33Å; P637-Y652 HydrophobicContact CB-CE2 3.81Å; P637-Y652 WeakPolarHBondContact CB-OH 3.36Å; P637-Y652 HydrophobicContact CG-CE2 4.17Å; L647-Y652 HydrophobicContact CB-CD1 4.39Å; L647-Y652 HydrophobicContact CB-CD2 4.01Å; L647-Y652 HydrophobicContact CB-CE1 4.05Å; L647-Y652 HydrophobicContact CB-CE2 3.65Å; L647-Y652 HydrophobicContact CB-CG 4.36Å; L647-Y652 HydrophobicContact CD1-CD1 4.18Å; L647-Y652 HydrophobicContact CD1-CE1 3.8Å; L647-Y652 HydrophobicContact CG-CE1 4.27Å; L647-Y652 WeakPolarHBondContact O-CE2 3.32Å; T648-Y652 VanDerWaalsContact O-CD2 3.3Å; T648-Y652 WeakPolarHBondContact O-CD2 3.14Å; T648-Y652 PolarHBondContact O-N 2.97Å; L649-Y652 PolarHBondContact O-N 3.14Å; D650-Y652 PolarHBondContact O-N 3.26Å; Y652-E654 VanDerWaalsContact C-N 3.34Å; Y652-Q655 PolarHBondContact O-N 3.11Å; Y652-I663 HydrophobicContact CD1-CD1 3.86Å; Y652-I663 HydrophobicContact CD1-CG1 3.85Å; Y652-I663 HydrophobicContact CD2-CG1 4.46Å; Y652-I663 HydrophobicContact CE1-CG1 4.25Å; Y652-I663 HydrophobicContact CG-CD1 4.24Å; Y652-I663 HydrophobicContact CG-CG1 3.99Å
653	N	91.1	Very high	90.4	Very high	55 Å²	55	67.5 Å²	67.5	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-68.8	-33.5	179.4	-166.8	50.6	0	0	0	112.3	L649 D650 Q655 K705 Y706 L773	L649-N653 WeakPolarHBondContact O-CB 2.99Å; L649-N653 PolarHBondContact O-N 3.34Å; D650-N653 WeakPolarHBondContact O-CB 3.24Å; D650-N653 PolarHBondContact O-N 3.3Å; N653-Q655 VanDerWaalsContact C-N 3.28Å; N653-Q655 PolarHBondContact O-N 3Å; N653-K705 PolarHBondContact ND2-O 3.25Å; N653-Y706 HydrophobicContact CB-CD1 4.3Å; N653-Y706 HydrophobicContact CB-CE1 4.04Å; N653-L773 HydrophobicContact CB-CD1 3.97Å; N653-L773 WeakPolarHBondContact OD1-CD1 3.4Å
654	E	90.7	Very high	90.8	Very high	157 Å²	157	67.3 Å²	67.3	73%	0.734	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.4	178	-70.9	176.1	-176.7	0	0	113.6	D650 Y652	D650-E654 WeakPolarHBondContact O-CG 3.45Å; D650-E654 PolarHBondContact O-N 3.12Å; Y652-E654 VanDerWaalsContact C-N 3.34Å
655	Q	91.6	Very high	91.2	Very high	48 Å²	48	64 Å²	64	22%	0.224	32%	0.318	C	S	.	.	S	Bend	trans	-70.3	133.5	178	-75.1	167.4	34	0	0	111.2	E651 Y652 N653 N772	E651-Q655 WeakPolarHBondContact O-CG 3.22Å; E651-Q655 PolarHBondContact O-NE2 2.82Å; E651-Q655 VanDerWaalsContact O-NE2 3.13Å; Y652-Q655 PolarHBondContact O-N 3.11Å; N653-Q655 VanDerWaalsContact C-N 3.28Å; N653-Q655 PolarHBondContact O-N 3Å; Q655-N772 PolarHBondContact O-ND2 3.47Å
656	S	90.8	Very high	91.5	Very high	98 Å²	98	58.7 Å²	58.7	69%	0.685	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-57.9	146.8	166.8	57.1	0	0	0	0	110.7	N658 N772	S656-N658 PolarHBondContact O-N 3.34Å; S656-N658 PolarHBondContact O-ND2 3.47Å; S656-N772 PolarHBondContact O-ND2 3.26Å
657	V	90.3	Very high	91.6	Very high	51 Å²	51	57.4 Å²	57.4	31%	0.309	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-52.3	126	174.2	-178.6	0	0	0	0	108.8	R766 N770 N772	V657-R766 HydrophobicContact CG1-CB 4.21Å; V657-N770 VanDerWaalsContact CG2-C 3.47Å; V657-N772 WeakPolarHBondContact CA-OD1 3.31Å
658	N	90.6	Very high	91.7	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.193	28%	0.279	C	S	.	.			trans	-140.9	173.7	-173.1	63.4	67	0	0	0	111.7	S656 R660 R766 N772	S656-N658 PolarHBondContact O-N 3.34Å; S656-N658 PolarHBondContact O-ND2 3.47Å; N658-R660 VanDerWaalsContact C-N 3.31Å; N658-R660 PolarHBondContact O-N 3.45Å; N658-R660 WeakPolarHBondContact OD1-CB 3.29Å; N658-R660 VanDerWaalsContact OD1-CG 3.31Å; N658-R660 WeakPolarHBondContact OD1-CG 3.36Å; N658-R660 PolarHBondContact OD1-N 3.33Å; N658-R766 PolarHBondContact O-NH1 3.17Å; N658-N772 PolarHBondContact N-OD1 3.49Å; N658-N772 PolarHBondContact ND2-ND2 3.46Å; N658-N772 VanDerWaalsContact ND2-ND2 3.15Å
659	D	86.5	Confident	91.4	Very high	164 Å²	164	57.6 Å²	57.6	88%	0.877	28%	0.283	S	S	*	.	S	Bend	trans	-87.5	7.1	-173.6	-58.7	-23.7	0	0	0	113.9
660	R	88	Confident	90.3	Very high	183 Å²	183	63.1 Å²	63.1	69%	0.691	31%	0.306	S	S	*	.	S	Bend	trans	-72.2	173	177.5	-58.6	179.1	175.7	176.6	-0.5	110.9	N658 R766	N658-R660 VanDerWaalsContact C-N 3.31Å; N658-R660 PolarHBondContact O-N 3.45Å; N658-R660 WeakPolarHBondContact OD1-CB 3.29Å; N658-R660 VanDerWaalsContact OD1-CG 3.31Å; N658-R660 WeakPolarHBondContact OD1-CG 3.36Å; N658-R660 PolarHBondContact OD1-N 3.33Å; R660-R766 PolarHBondContact O-NH1 2.98Å
661	R	88	Confident	88.3	Confident	95 Å²	95	63 Å²	63	36%	0.358	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-55.8	134.9	172.6	-175.5	-170.5	174.8	-90	18.2	109.6	D636 P637 F664	D636-R661 PolarHBondContact O-NH1 3.08Å; D636-R661 IonicContact OD2-CZ 3.59Å; D636-R661 IonicContact OD2-NH1 2.82Å; D636-R661 IonicContact OD2-NH2 3.06Å; D636-R661 PolarHBondContact OD2-NH2 3.11Å; P637-R661 VanDerWaalsContact C-NH1 3.26Å; P637-R661 PolarHBondContact O-NH1 3.39Å; R661-F664 VanDerWaalsContact NH2-CE2 3.33Å
662	P	90.5	Very high	85.8	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.084	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.4	153.4	174.5	26.1	-34.3	0	0	0	111.8	F664 L762 I774	P662-F664 HydrophobicContact CG-CE1 4.06Å; P662-F664 HydrophobicContact CG-CZ 3.99Å; P662-L762 HydrophobicContact CG-CD1 4.17Å; P662-I774 HydrophobicContact CB-CD1 3.41Å; P662-I774 VanDerWaalsContact CB-CD1 3.41Å; P662-I774 HydrophobicContact CB-CG1 3.94Å; P662-I774 HydrophobicContact CG-CD1 4Å
663	I	94.6	Very high	83.1	Confident	7 Å²	7	71.6 Å²	71.6	4%	0.036	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.4	172.5	-56.4	91.5	0	0	0	107.4	Y635 P637 Y652 N772 L773 I774	Y635-I663 HydrophobicContact CD2-CG2 4.04Å; Y635-I663 HydrophobicContact CG-CG2 4.46Å; P637-I663 HydrophobicContact CB-CG1 4.47Å; Y652-I663 HydrophobicContact CD1-CD1 3.86Å; Y652-I663 HydrophobicContact CD1-CG1 3.85Å; Y652-I663 HydrophobicContact CD2-CG1 4.46Å; Y652-I663 HydrophobicContact CE1-CG1 4.25Å; Y652-I663 HydrophobicContact CG-CD1 4.24Å; Y652-I663 HydrophobicContact CG-CG1 3.99Å; I663-N772 HydrophobicContact CD1-CB 3.53Å; I663-N772 PolarHBondContact N-O 3.14Å; I663-L773 HydrophobicContact CB-CD2 3.78Å; I663-L773 HydrophobicContact CD1-CD2 4.39Å; I663-L773 HydrophobicContact CG1-CD2 4.35Å; I663-L773 HydrophobicContact CG2-CD2 3.85Å; I663-L773 WeakPolarHBondContact O-CA 3.37Å; I663-I774 PolarHBondContact O-N 3.23Å
664	F	95.1	Very high	80.3	Confident	7 Å²	7	75.1 Å²	75.1	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.7	178.1	-64.5	-53.3	0	0	0	109.8	Y635 D636 R661 P662 L762 I774 V776 I779 L785 Q786	Y635-F664 CarbonylContact C-O 3.59Å; Y635-F664 WeakPolarHBondContact CA-O 3.3Å; D636-F664 HydrophobicContact CB-CB 4.43Å; D636-F664 PolarHBondContact N-O 3.29Å; D636-F664 PolarHBondContact O-N 2.62Å; D636-F664 VanDerWaalsContact O-N 3.1Å; R661-F664 VanDerWaalsContact NH2-CE2 3.33Å; P662-F664 HydrophobicContact CG-CE1 4.06Å; P662-F664 HydrophobicContact CG-CZ 3.99Å; F664-L762 HydrophobicContact CE1-CD1 4.5Å; F664-L762 HydrophobicContact CE1-CD2 4.39Å; F664-L762 HydrophobicContact CZ-CD1 4.36Å; F664-I774 HydrophobicContact CD1-CB 4.48Å; F664-V776 HydrophobicContact CB-CG1 3.79Å; F664-V776 HydrophobicContact CG-CG1 4.44Å; F664-I779 HydrophobicContact CD1-CD1 3.69Å; F664-I779 HydrophobicContact CE1-CD1 3.56Å; F664-L785 HydrophobicContact CD2-CD2 4.03Å; F664-L785 HydrophobicContact CE2-CD2 3.95Å; F664-Q786 VanDerWaalsContact CE2-NE2 3.33Å
665	L	96.1	Very high	77.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.7	-174.8	-179.5	66.8	0	0	0	110.6	L633 L649 N667 P707 L773 I774 P775 V776	L633-L665 HydrophobicContact CD1-CD1 4.08Å; L649-L665 HydrophobicContact CD1-CD1 4.06Å; L649-L665 HydrophobicContact CD2-CD1 4Å; L665-N667 HydrophobicContact CD2-CB 4.24Å; L665-N667 HydrophobicContact CG-CB 4.18Å; L665-P707 HydrophobicContact CD2-CG 4.03Å; L665-L773 HydrophobicContact CD2-CB 4.35Å; L665-L773 HydrophobicContact CD2-CD1 4.47Å; L665-I774 PolarHBondContact N-O 2.86Å; L665-P775 WeakPolarHBondContact O-CA 3.09Å; L665-V776 PolarHBondContact O-N 3.03Å
666	I	96.3	Very high	74.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.6	162	-67	167.5	0	0	0	105.6	I630 L633 F634 L668 L712 V776 L789 L793	I630-I666 HydrophobicContact CG2-CD1 3.92Å; L633-I666 CarbonylContact C-O 3.47Å; L633-I666 WeakPolarHBondContact CA-O 3.03Å; F634-I666 HydrophobicContact CB-CB 4.17Å; F634-I666 HydrophobicContact CB-CD1 4.35Å; F634-I666 HydrophobicContact CD1-CD1 4.09Å; F634-I666 PolarHBondContact N-O 2.98Å; F634-I666 PolarHBondContact O-N 3.18Å; I666-L668 HydrophobicContact CG2-CD1 4.39Å; I666-L668 HydrophobicContact CG2-CG 4.21Å; I666-L712 HydrophobicContact CB-CD2 4.34Å; I666-L712 HydrophobicContact CG1-CD2 4.09Å; I666-L712 HydrophobicContact CG2-CD2 3.91Å; I666-V776 HydrophobicContact CG1-CG2 3.84Å; I666-L789 HydrophobicContact CD1-CD1 4.13Å; I666-L789 HydrophobicContact CD1-CD2 4.07Å; I666-L789 HydrophobicContact CD1-CG 3.93Å; I666-L793 HydrophobicContact CD1-CD2 4.09Å; I666-L793 HydrophobicContact CG1-CD2 4.44Å; I666-L793 HydrophobicContact CG2-CD1 4.33Å; I666-L793 HydrophobicContact CG2-CD2 4Å
667	N	94.5	Very high	71.7	Confident	9 Å²	9	75.3 Å²	75.3	5%	0.048	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	98.8	174.1	-178.9	13.6	0	0	0	109.8	D632 L633 L665 Q669 Y706 P707 F708 D709	D632-N667 CarbonylContact O-C 3.5Å; D632-N667 WeakPolarHBondContact O-CA 3.31Å; L633-N667 HydrophobicContact CD1-CB 4.03Å; L665-N667 HydrophobicContact CD2-CB 4.24Å; L665-N667 HydrophobicContact CG-CB 4.18Å; N667-Q669 PolarHBondContact OD1-N 3.13Å; N667-Y706 PolarHBondContact ND2-O 3.14Å; N667-P707 WeakPolarHBondContact CB-O 3.43Å; N667-P707 PolarHBondContact ND2-O 3.48Å; N667-F708 WeakPolarHBondContact O-CD2 3.38Å; N667-D709 PolarHBondContact O-N 3.48Å
668	L	91.8	Very high	69	Low	10 Å²	10	80.8 Å²	80.8	5%	0.052	43%	0.432	C	S	.	.			trans	-103.6	4.5	-179.9	-62.5	176.6	0	0	0	112.7	D632 I666 K670 L712 H713 L716 L793	D632-L668 HydrophobicContact CB-CB 4.06Å; D632-L668 PolarHBondContact O-N 3.32Å; I666-L668 HydrophobicContact CG2-CD1 4.39Å; I666-L668 HydrophobicContact CG2-CG 4.21Å; L668-K670 PolarHBondContact O-N 3.19Å; L668-L712 HydrophobicContact CD2-CB 4.26Å; L668-L712 HydrophobicContact CD2-CD2 4.04Å; L668-L712 HydrophobicContact CD2-CG 4.04Å; L668-L712 HydrophobicContact CG-CD2 4.43Å; L668-H713 HydrophobicContact CD2-CB 3.89Å; L668-L716 HydrophobicContact CD1-CD2 3.74Å; L668-L793 HydrophobicContact CD1-CD1 4.38Å; L668-L793 HydrophobicContact CD1-CD2 4.25Å
669	Q	85.7	Confident	66	Low	107 Å²	107	84.8 Å²	84.8	50%	0.5	46%	0.462	S	S	.	.			trans	-75.3	106.5	179.7	-63	179.9	-32	0	0	109.8	D632 N667	D632-Q669 HydrophobicContact CB-CG 3.93Å; N667-Q669 PolarHBondContact OD1-N 3.13Å
670	K	68	Low	63.4	Low	126 Å²	126	82.7 Å²	82.7	55%	0.548	45%	0.454	S	S	.	.			trans	-79.4	128.6	169.1	-76.4	-178.5	174.5	169.8	0	109.2	L668 F708 H713	L668-K670 PolarHBondContact O-N 3.19Å; K670-F708 HydrophobicContact CD-CZ 4.23Å; K670-F708 HydrophobicContact CG-CD2 4.28Å; K670-F708 HydrophobicContact CG-CE1 4.35Å; K670-F708 HydrophobicContact CG-CE2 3.57Å; K670-F708 HydrophobicContact CG-CZ 3.62Å; K670-H713 WeakPolarHBondContact CE-NE2 3.39Å; K670-H713 PolarHBondContact NZ-CD2 3.02Å; K670-H713 PolarHBondContact NZ-NE2 3.36Å
671	C	49.5	Very low	60.8	Low	46 Å²	46	82.5 Å²	82.5	31%	0.311	46%	0.461	S	S	.	.			trans	-83.4	113.9	169.6	-148.7	0	0	0	0	107.9	I673 N702 M704	C671-I673 PolarHBondContact O-N 3.29Å; C671-N702 PolarHBondContact SG-ND2 3.13Å; C671-N702 VanDerWaalsContact SG-ND2 3.44Å; C671-M704 HydrophobicContact CB-CE 4.1Å
672	D	40.1	Very low	58.3	Low	149 Å²	149	83.8 Å²	83.8	80%	0.797	49%	0.485	S	S	*	.			trans	-66.2	100.1	165.8	-74.4	-31.8	0	0	0	107.5	V674	D672-V674 VanDerWaalsContact C-N 3.3Å; D672-V674 PolarHBondContact O-N 2.83Å
673	I	35.1	Very low	55.6	Low	143 Å²	143	92 Å²	92	73%	0.733	52%	0.522	S	S	*	.			trans	-66.7	97.6	167.9	-58.4	173.8	0	0	0	105.8	C671 S675	C671-I673 PolarHBondContact O-N 3.29Å; I673-S675 PolarHBondContact O-N 3.2Å
674	V	31.7	Very low	52.9	Low	129 Å²	129	97.4 Å²	97.4	78%	0.782	56%	0.555	S	S	*	*			trans	-60.3	107.9	166.3	-178.1	0	0	0	0	106.3	D672 S676	D672-V674 VanDerWaalsContact C-N 3.3Å; D672-V674 PolarHBondContact O-N 2.83Å; V674-S676 PolarHBondContact O-N 3.28Å; V674-S676 VanDerWaalsContact O-N 3.17Å
675	S	30.9	Very low	50.1	Low	88 Å²	88	101.9 Å²	101.9	62%	0.615	59%	0.587	S	S	*	*			trans	-62.6	117.6	175.4	-49.5	0	0	0	0	107.5	I673 S677	I673-S675 PolarHBondContact O-N 3.2Å; S675-S677 VanDerWaalsContact C-N 3.29Å; S675-S677 PolarHBondContact O-N 3.06Å
676	S	29.2	Very low	47.4	Very low	125 Å²	125	107.5 Å²	107.5	87%	0.874	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	86.7	171.3	50.7	0	0	0	0	109.9	V674	V674-S676 PolarHBondContact O-N 3.28Å; V674-S676 VanDerWaalsContact O-N 3.17Å
677	S	33.4	Very low	44.5	Very low	93 Å²	93	115.3 Å²	115.3	65%	0.65	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.4	-6.4	168.1	56.2	0	0	0	0	116.8	S675	S675-S677 VanDerWaalsContact C-N 3.29Å; S675-S677 PolarHBondContact O-N 3.06Å
678	D	34	Very low	41.8	Very low	166 Å²	166	119.9 Å²	119.9	89%	0.888	71%	0.708	S	S	*	*			trans	-108.9	76.1	178.1	-69.1	-23.6	0	0	0	111.7
679	C	26.3	Very low	39.1	Very low	121 Å²	121	128.6 Å²	128.6	82%	0.818	75%	0.745	S	S	*	*			trans	-128.8	76.3	169	-169.2	0	0	0	0	109.7
680	V	32.4	Very low	36.6	Very low	119 Å²	119	129.4 Å²	129.4	72%	0.721	76%	0.757	S	S	*	*			trans	-151.2	120.2	166.1	-176.6	0	0	0	0	110.4
681	Q	32.7	Very low	35	Very low	180 Å²	180	130.8 Å²	130.8	84%	0.841	77%	0.771	S	S	*	*			trans	77.3	98.7	156	-69.4	160.1	19.6	0	0	120
682	S	37.5	Very low	34.1	Very low	121 Å²	121	136.2 Å²	136.2	85%	0.846	80%	0.797	S	S	*	*				-176.4	116.8	105.3	56.1	0	0	0	0	112.2
683	Q	33.3	Very low	33.9	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	80%	0.799	S	S	*	*			trans	-63.3	155.5	160.8	-66.7	173.4	-38.9	0	0	109.1
684	V	37.6	Very low	34	Very low	122 Å²	122	139.6 Å²	139.6	74%	0.739	81%	0.806	S	S	*	*				-178	125.2	79.9	161.8	0	0	0	0	110.7
685	S	36.5	Very low	33.9	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	81%	0.808	S	S	*	*			trans	40.7	130.6	146	72.3	0	0	0	0	123.9
686	S	39.1	Very low	33.8	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	81%	0.812	S	S	*	*				179.9	153.6	94.7	46.5	0	0	0	0	113
687	D	35	Very low	34	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	81%	0.81	S	S	*	*			trans	-76.2	146.5	-162.4	-56.6	-75.6	0	0	0	116.8
688	A	38.8	Very low	34	Very low	106 Å²	106	148.7 Å²	148.7	88%	0.876	82%	0.82	S	S	*	*			trans	-169.3	144.9	132.3	0	0	0	0	0	111.5
689	K	34.5	Very low	33.6	Very low	193 Å²	193	147.4 Å²	147.4	84%	0.839	81%	0.813	S	S	*	*			trans	-93.6	157	-160.5	-72.4	170.4	167.7	172.8	0	114.6
690	T	32.1	Very low	33.9	Very low	123 Å²	123	151.9 Å²	151.9	76%	0.755	81%	0.814	S	S	*	*			trans	68.9	109.1	145.2	37.5	0	0	0	0	119.1
691	D	34.4	Very low	33.8	Very low	155 Å²	155	155 Å²	155	83%	0.829	82%	0.818	S	S	*	*				-167.6	144.3	96	-97.9	-15.6	0	0	0	112.9	L693	D691-L693 PolarHBondContact O-N 2.91Å
692	D	31.9	Very low	33.8	Very low	160 Å²	160	152.4 Å²	152.4	86%	0.856	81%	0.81	S	S	*	*			trans	-59.6	116.6	-170.8	-71.8	-52	0	0	0	115.1
693	L	36.3	Very low	34.1	Very low	164 Å²	164	155.3 Å²	155.3	86%	0.859	81%	0.81	S	S	*	*			trans	-134.3	119.1	151	-79.1	171.1	0	0	0	108.3	D691 Q695	D691-L693 PolarHBondContact O-N 2.91Å; L693-Q695 PolarHBondContact O-N 2.76Å
694	K	36.3	Very low	35.2	Very low	199 Å²	199	152.4 Å²	152.4	87%	0.865	80%	0.798	S	S	*	*			trans	-53.5	106.5	174.8	-68.9	179.7	176.8	-178.8	0	109.3	D696	K694-D696 VanDerWaalsContact C-N 3.3Å; K694-D696 PolarHBondContact O-N 3.21Å
695	Q	29.2	Very low	37	Very low	178 Å²	178	152 Å²	152	83%	0.832	79%	0.786	S	S	*	*			trans	-97.6	64.5	176.8	-159.9	169.6	11.1	0	0	107.1	L693	L693-Q695 PolarHBondContact O-N 2.76Å
696	D	29.9	Very low	39.3	Very low	130 Å²	130	148.9 Å²	148.9	70%	0.695	76%	0.76	S	S	*	*			trans	-98.1	135.1	167	-71.4	-36.3	0	0	0	107	K694	K694-D696 VanDerWaalsContact C-N 3.3Å; K694-D696 PolarHBondContact O-N 3.21Å
697	D	33.4	Very low	41.5	Very low	157 Å²	157	145.5 Å²	145.5	84%	0.84	74%	0.735	S	S	*	*	S	Bend	trans	98.9	29.8	171.2	-53.1	-23.4	0	0	0	120.2
698	L	33	Very low	44.1	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	70%	0.704	S	S	*	*			trans	-124.4	61.8	160	-80.6	163.7	0	0	0	111.2
699	N	26.3	Very low	46.7	Very low	138 Å²	138	135.2 Å²	135.2	74%	0.738	66%	0.663	S	S	*	*			trans	-147	76.1	167.4	-110.4	-9.8	0	0	0	108.9
700	Y	30.9	Very low	49.5	Very low	216 Å²	216	128.9 Å²	128.9	85%	0.847	64%	0.643	S	S	*	*			trans	-106.5	87.4	164.5	-124.1	-91	0	0	0	107.7	N702	Y700-N702 PolarHBondContact O-N 2.57Å
701	F	32.2	Very low	52.5	Low	183 Å²	183	125.2 Å²	125.2	80%	0.803	62%	0.62	S	S	*	*			trans	-67.4	123.7	164.3	-90.4	-92.5	0	0	0	108.2	E703	F701-E703 PolarHBondContact O-N 3.07Å
702	N	32.4	Very low	55.4	Low	127 Å²	127	117.8 Å²	117.8	68%	0.679	58%	0.581	S	S	*	*			trans	-66.6	110.6	-167.5	-76.9	-33.8	0	0	0	114.8	C671 Y700	C671-N702 PolarHBondContact SG-ND2 3.13Å; C671-N702 VanDerWaalsContact SG-ND2 3.44Å; Y700-N702 PolarHBondContact O-N 2.57Å
703	E	42.5	Very low	58.4	Low	181 Å²	181	111.6 Å²	111.6	85%	0.846	55%	0.547	S	S	*	.			trans	-85.2	137.7	144.1	-75.8	-176.8	161.5	0	0	108.5	F701 K705	F701-E703 PolarHBondContact O-N 3.07Å; E703-K705 PolarHBondContact O-N 3.4Å
704	M	56.9	Low	61.2	Low	125 Å²	125	108.2 Å²	108.2	62%	0.616	53%	0.53	S	S	*	.			trans	-61.8	104.7	175.6	-86.5	-172.7	-176.7	0	0	109.7	C671 Y706	C671-M704 HydrophobicContact CB-CE 4.1Å; M704-Y706 VanDerWaalsContact C-N 3.27Å; M704-Y706 PolarHBondContact O-N 3.09Å
705	K	76	Confident	64	Low	113 Å²	113	100.6 Å²	100.6	49%	0.491	50%	0.495	S	S	.	.	S	Bend	trans	-66.7	-28.4	-177.7	-154.4	172.5	-167	-175	0	113.1	D650 N653 E703	D650-K705 VanDerWaalsContact OD1-CD 3.31Å; D650-K705 WeakPolarHBondContact OD1-CD 3.38Å; D650-K705 WeakPolarHBondContact OD1-CE 3.46Å; D650-K705 IonicContact OD1-NZ 2.77Å; D650-K705 PolarHBondContact OD1-NZ 3.19Å; D650-K705 IonicContact OD2-NZ 3.67Å; D650-K705 PolarHBondContact OD2-NZ 3Å; N653-K705 PolarHBondContact ND2-O 3.25Å; E703-K705 PolarHBondContact O-N 3.4Å
706	Y	85	Confident	67.1	Low	34 Å²	34	93 Å²	93	13%	0.133	46%	0.46	C	S	.	.	S	Bend	trans	-139.5	151	-178	-37.8	-65.7	0	0	0	111	L633 L649 D650 N653 N667 M704 F708 L773	L633-Y706 HydrophobicContact CD1-CD2 4.21Å; L633-Y706 HydrophobicContact CD2-CD2 4.48Å; L633-Y706 HydrophobicContact CD2-CE2 4.23Å; L649-Y706 HydrophobicContact CB-CE1 4.48Å; L649-Y706 HydrophobicContact CD2-CD1 4.1Å; L649-Y706 HydrophobicContact CD2-CD2 3.67Å; L649-Y706 HydrophobicContact CD2-CE1 3.93Å; L649-Y706 HydrophobicContact CD2-CE2 3.44Å; L649-Y706 VanDerWaalsContact CD2-CE2 3.44Å; L649-Y706 HydrophobicContact CD2-CG 3.98Å; L649-Y706 HydrophobicContact CG-CD1 4.05Å; L649-Y706 HydrophobicContact CG-CD2 4.45Å; L649-Y706 HydrophobicContact CG-CE1 3.64Å; L649-Y706 HydrophobicContact CG-CE2 4.06Å; L649-Y706 HydrophobicContact CG-CG 4.43Å; D650-Y706 VanDerWaalsContact CG-OH 3.29Å; D650-Y706 PolarHBondContact OD1-OH 2.95Å; N653-Y706 HydrophobicContact CB-CD1 4.3Å; N653-Y706 HydrophobicContact CB-CE1 4.04Å; N667-Y706 PolarHBondContact ND2-O 3.14Å; M704-Y706 VanDerWaalsContact C-N 3.27Å; M704-Y706 PolarHBondContact O-N 3.09Å; Y706-F708 PolarHBondContact O-N 2.97Å; Y706-L773 HydrophobicContact CD1-CD1 4.07Å
707	P	85.4	Confident	70.2	Confident	49 Å²	49	90.5 Å²	90.5	32%	0.318	45%	0.447	S	S	.	.			trans	-65	131.9	-178.3	25.6	-33.9	0	0	0	111.8	L665 N667 P775	L665-P707 HydrophobicContact CD2-CG 4.03Å; N667-P707 WeakPolarHBondContact CB-O 3.43Å; N667-P707 PolarHBondContact ND2-O 3.48Å; P707-P775 HydrophobicContact CB-CG 4.11Å; P707-P775 HydrophobicContact CG-CG 3.77Å
708	F	89.7	Confident	73.2	Confident	50 Å²	50	85.4 Å²	85.4	22%	0.219	42%	0.422	C	S	.	.			trans	-74.5	133.2	171.3	172	-102.8	0	0	0	110.6	N667 K670 Y706 S710 H713	N667-F708 WeakPolarHBondContact O-CD2 3.38Å; K670-F708 HydrophobicContact CD-CZ 4.23Å; K670-F708 HydrophobicContact CG-CD2 4.28Å; K670-F708 HydrophobicContact CG-CE1 4.35Å; K670-F708 HydrophobicContact CG-CE2 3.57Å; K670-F708 HydrophobicContact CG-CZ 3.62Å; Y706-F708 PolarHBondContact O-N 2.97Å; F708-S710 VanDerWaalsContact CE1-CA 3.48Å; F708-S710 PolarHBondContact O-N 3.19Å; F708-H713 HydrophobicContact CE1-CB 4.4Å; F708-H713 HydrophobicContact CE2-CB 4.43Å; F708-H713 HydrophobicContact CZ-CB 3.7Å; F708-H713 AromaticContact CZ-CG 3.76Å
709	D	92.9	Very high	76.1	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.011	38%	0.381	C	S	.	.			trans	-91.4	83.9	-179.5	-162.7	-26.3	0	0	0	111	N667 T711 L712 H713 P775 V776 G777	N667-D709 PolarHBondContact O-N 3.48Å; D709-T711 VanDerWaalsContact C-N 3.28Å; D709-T711 PolarHBondContact O-N 3.08Å; D709-T711 PolarHBondContact OD1-N 3.32Å; D709-L712 HydrophobicContact CB-CB 3.91Å; D709-L712 HydrophobicContact CB-CD2 4.46Å; D709-L712 PolarHBondContact O-N 3.12Å; D709-L712 WeakPolarHBondContact OD1-CB 3.42Å; D709-L712 PolarHBondContact OD1-N 3.25Å; D709-H713 WeakPolarHBondContact O-CB 3.26Å; D709-H713 PolarHBondContact O-N 3.48Å; D709-P775 HydrophobicContact CB-CB 4.03Å; D709-P775 WeakPolarHBondContact OD2-CB 3.39Å; D709-V776 PolarHBondContact OD2-N 3.37Å; D709-V776 VanDerWaalsContact OD2-N 3.15Å; D709-G777 WeakPolarHBondContact OD1-CA 3.29Å; D709-G777 WeakPolarHBondContact OD2-CA 3.37Å; D709-G777 PolarHBondContact OD2-N 3.19Å
710	S	92.8	Very high	79.3	Confident	61 Å²	61	74 Å²	74	43%	0.427	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-36.7	-180	58.6	0	0	0	0	113	F708 H713 D714	F708-S710 VanDerWaalsContact CE1-CA 3.48Å; F708-S710 PolarHBondContact O-N 3.19Å; S710-H713 PolarHBondContact O-N 2.75Å; S710-D714 PolarHBondContact O-N 3.27Å
711	T	94.8	Very high	82.3	Confident	45 Å²	45	71.9 Å²	71.9	28%	0.276	36%	0.359	S	S	.	.	H	α-helix	trans	-68.3	-45.9	-178.5	-59.8	0	0	0	0	110.7	D709 H713 D714 W715 G777	D709-T711 VanDerWaalsContact C-N 3.28Å; D709-T711 PolarHBondContact O-N 3.08Å; D709-T711 PolarHBondContact OD1-N 3.32Å; T711-H713 VanDerWaalsContact C-N 3.31Å; T711-H713 PolarHBondContact O-N 3.44Å; T711-D714 PolarHBondContact O-N 2.76Å; T711-W715 HydrophobicContact CG2-CD2 4.23Å; T711-W715 HydrophobicContact CG2-CH2 4.23Å; T711-W715 HydrophobicContact CG2-CZ2 3.51Å; T711-W715 VanDerWaalsContact O-CG 3.28Å; T711-W715 PolarHBondContact O-N 3.28Å; T711-G777 WeakPolarHBondContact CG2-O 3.48Å
712	L	95.5	Very high	85.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-38	175	-175	65.9	0	0	0	112	I666 L668 D709 D714 W715 L716 V776 V790 L793	I666-L712 HydrophobicContact CB-CD2 4.34Å; I666-L712 HydrophobicContact CG1-CD2 4.09Å; I666-L712 HydrophobicContact CG2-CD2 3.91Å; L668-L712 HydrophobicContact CD2-CB 4.26Å; L668-L712 HydrophobicContact CD2-CD2 4.04Å; L668-L712 HydrophobicContact CD2-CG 4.04Å; L668-L712 HydrophobicContact CG-CD2 4.43Å; D709-L712 HydrophobicContact CB-CB 3.91Å; D709-L712 HydrophobicContact CB-CD2 4.46Å; D709-L712 PolarHBondContact O-N 3.12Å; D709-L712 WeakPolarHBondContact OD1-CB 3.42Å; D709-L712 PolarHBondContact OD1-N 3.25Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 3.31Å; L712-W715 HydrophobicContact CD1-CE3 3.83Å; L712-W715 HydrophobicContact CD1-CZ3 4.38Å; L712-W715 PolarHBondContact O-N 3.18Å; L712-L716 WeakPolarHBondContact O-CB 3.09Å; L712-L716 PolarHBondContact O-N 2.94Å; L712-V776 HydrophobicContact CD1-CG2 4.16Å; L712-V776 HydrophobicContact CD2-CG2 3.59Å; L712-V776 HydrophobicContact CG-CG2 4.38Å; L712-V790 HydrophobicContact CD1-CG1 4.19Å; L712-V790 HydrophobicContact CD1-CG2 4.06Å; L712-L793 HydrophobicContact CD1-CD2 4.04Å; L712-L793 HydrophobicContact CD2-CD2 3.73Å; L712-L793 HydrophobicContact CG-CD2 4.07Å
713	H	94.6	Very high	88.2	Confident	30 Å²	30	63 Å²	63	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-41.3	175.3	-175.1	78.9	0	0	0	112	L668 K670 F708 D709 S710 T711 L716 N717	L668-H713 HydrophobicContact CD2-CB 3.89Å; K670-H713 WeakPolarHBondContact CE-NE2 3.39Å; K670-H713 PolarHBondContact NZ-CD2 3.02Å; K670-H713 PolarHBondContact NZ-NE2 3.36Å; F708-H713 HydrophobicContact CE1-CB 4.4Å; F708-H713 HydrophobicContact CE2-CB 4.43Å; F708-H713 HydrophobicContact CZ-CB 3.7Å; F708-H713 AromaticContact CZ-CG 3.76Å; D709-H713 WeakPolarHBondContact O-CB 3.26Å; D709-H713 PolarHBondContact O-N 3.48Å; S710-H713 PolarHBondContact O-N 2.75Å; T711-H713 VanDerWaalsContact C-N 3.31Å; T711-H713 PolarHBondContact O-N 3.44Å; H713-L716 PolarHBondContact O-N 3.22Å; H713-N717 PolarHBondContact CD2-ND2 2.63Å; H713-N717 PolarHBondContact NE2-ND2 3.13Å; H713-N717 VanDerWaalsContact NE2-ND2 3.12Å; H713-N717 VanDerWaalsContact O-CG 3.3Å; H713-N717 PolarHBondContact O-N 3.21Å; H713-N717 PolarHBondContact O-ND2 2.94Å; H713-N717 VanDerWaalsContact O-ND2 3.15Å
714	D	95.4	Very high	90.5	Very high	93 Å²	93	57.3 Å²	57.3	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-67.9	-39.4	175.7	-69.9	-18.7	0	0	0	112.2	S710 T711 L712 L716 N717 T718	S710-D714 PolarHBondContact O-N 3.27Å; T711-D714 PolarHBondContact O-N 2.76Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 3.31Å; D714-L716 VanDerWaalsContact C-N 3.34Å; D714-N717 PolarHBondContact O-N 3.37Å; D714-T718 WeakPolarHBondContact O-CB 3.24Å; D714-T718 PolarHBondContact O-N 2.87Å; D714-T718 PolarHBondContact O-OG1 3.4Å
715	W	95.8	Very high	92.2	Very high	39 Å²	39	55.5 Å²	55.5	15%	0.148	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-45.2	172.4	-64.7	-11.2	0	0	0	111.4	T711 L712 T718 A719 F739 C743 Y744	T711-W715 HydrophobicContact CG2-CD2 4.23Å; T711-W715 HydrophobicContact CG2-CH2 4.23Å; T711-W715 HydrophobicContact CG2-CZ2 3.51Å; T711-W715 VanDerWaalsContact O-CG 3.28Å; T711-W715 PolarHBondContact O-N 3.28Å; L712-W715 HydrophobicContact CD1-CE3 3.83Å; L712-W715 HydrophobicContact CD1-CZ3 4.38Å; L712-W715 PolarHBondContact O-N 3.18Å; W715-T718 PolarHBondContact O-N 3.46Å; W715-A719 WeakPolarHBondContact O-CB 3.44Å; W715-A719 PolarHBondContact O-N 3.34Å; W715-F739 HydrophobicContact CB-CE1 4.19Å; W715-F739 HydrophobicContact CB-CZ 4.24Å; W715-F739 WeakPolarHBondContact O-CE1 3.18Å; W715-F739 WeakPolarHBondContact O-CZ 3.42Å; W715-C743 HydrophobicContact CD2-CB 3.83Å; W715-C743 VanDerWaalsContact CD2-SG 3.59Å; W715-C743 HydrophobicContact CE3-CB 3.94Å; W715-C743 HydrophobicContact CH2-CB 3.88Å; W715-C743 HydrophobicContact CZ2-CB 3.75Å; W715-C743 HydrophobicContact CZ3-CB 3.97Å; W715-Y744 HydrophobicContact CH2-CE1 4.06Å; W715-Y744 HydrophobicContact CZ3-CE1 4.25Å; W715-Y744 HydrophobicContact CZ3-CE2 4.15Å; W715-Y744 AromaticContact CZ3-CZ 3.81Å
716	L	94.6	Very high	92.9	Very high	17 Å²	17	52.1 Å²	52.1	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-50.8	176.9	173.5	61.2	0	0	0	111.8	L668 L712 H713 D714 T718 A719 V720 L794 R797	L668-L716 HydrophobicContact CD1-CD2 3.74Å; L712-L716 WeakPolarHBondContact O-CB 3.09Å; L712-L716 PolarHBondContact O-N 2.94Å; H713-L716 PolarHBondContact O-N 3.22Å; D714-L716 VanDerWaalsContact C-N 3.34Å; L716-T718 PolarHBondContact O-N 2.71Å; L716-A719 PolarHBondContact O-N 2.93Å; L716-V720 HydrophobicContact CD1-CG2 3.87Å; L716-V720 HydrophobicContact CG-CG2 4.47Å; L716-V720 VanDerWaalsContact O-CG2 3.32Å; L716-V720 WeakPolarHBondContact O-CG2 3.39Å; L716-V720 PolarHBondContact O-N 3.24Å; L716-L794 HydrophobicContact CB-CD2 3.91Å; L716-L794 HydrophobicContact CD1-CD2 3.61Å; L716-L794 HydrophobicContact CG-CD2 4.39Å; L716-R797 HydrophobicContact CD1-CB 3.56Å; L716-R797 HydrophobicContact CD1-CG 3.54Å; L716-R797 HydrophobicContact CD2-CG 4.29Å
717	N	94.7	Very high	93.1	Very high	79 Å²	79	58.5 Å²	58.5	42%	0.422	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-38.1	178.4	-71	-33.6	0	0	0	111.9	H713 D714 K721	H713-N717 PolarHBondContact CD2-ND2 2.63Å; H713-N717 PolarHBondContact NE2-ND2 3.13Å; H713-N717 VanDerWaalsContact NE2-ND2 3.12Å; H713-N717 VanDerWaalsContact O-CG 3.3Å; H713-N717 PolarHBondContact O-N 3.21Å; H713-N717 PolarHBondContact O-ND2 2.94Å; H713-N717 VanDerWaalsContact O-ND2 3.15Å; D714-N717 PolarHBondContact O-N 3.37Å; N717-K721 VanDerWaalsContact O-CB 3.32Å; N717-K721 WeakPolarHBondContact O-CB 3.24Å; N717-K721 PolarHBondContact O-N 2.95Å; N717-K721 VanDerWaalsContact O-N 3.12Å
718	T	95.7	Very high	93.4	Very high	50 Å²	50	61.9 Å²	61.9	31%	0.307	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-47.2	177.8	-56.7	0	0	0	0	111.4	D714 W715 L716 K721 Q722 F739	D714-T718 WeakPolarHBondContact O-CB 3.24Å; D714-T718 PolarHBondContact O-N 2.87Å; D714-T718 PolarHBondContact O-OG1 3.4Å; W715-T718 PolarHBondContact O-N 3.46Å; L716-T718 PolarHBondContact O-N 2.71Å; T718-K721 PolarHBondContact O-N 3.14Å; T718-Q722 HydrophobicContact CG2-CG 4.32Å; T718-Q722 WeakPolarHBondContact O-CB 3.18Å; T718-Q722 WeakPolarHBondContact O-CG 3.44Å; T718-Q722 PolarHBondContact O-N 3.47Å; T718-F739 HydrophobicContact CG2-CE2 3.67Å; T718-F739 HydrophobicContact CG2-CZ 3.97Å
719	A	93.7	Very high	93.4	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.8	-48.1	177.5	0	0	0	0	0	111.6	W715 L716 K721 Q722 I723 F739 L794	W715-A719 WeakPolarHBondContact O-CB 3.44Å; W715-A719 PolarHBondContact O-N 3.34Å; L716-A719 PolarHBondContact O-N 2.93Å; A719-K721 VanDerWaalsContact C-N 3.26Å; A719-K721 PolarHBondContact O-N 2.87Å; A719-Q722 PolarHBondContact O-N 2.79Å; A719-I723 HydrophobicContact CB-CD1 4.04Å; A719-I723 VanDerWaalsContact O-CB 3.27Å; A719-I723 WeakPolarHBondContact O-CB 3.32Å; A719-I723 PolarHBondContact O-N 3.17Å; A719-F739 HydrophobicContact CB-CD1 4.06Å; A719-F739 HydrophobicContact CB-CE1 3.76Å; A719-F739 HydrophobicContact CB-CZ 4.36Å; A719-L794 HydrophobicContact CB-CD1 4.05Å; A719-L794 HydrophobicContact CB-CD2 4.14Å
720	V	93.5	Very high	93.4	Very high	61 Å²	61	65.9 Å²	65.9	37%	0.37	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-37.8	177.5	172	0	0	0	0	111.3	L716 T724 R797 I798	L716-V720 HydrophobicContact CD1-CG2 3.87Å; L716-V720 HydrophobicContact CG-CG2 4.47Å; L716-V720 VanDerWaalsContact O-CG2 3.32Å; L716-V720 WeakPolarHBondContact O-CG2 3.39Å; L716-V720 PolarHBondContact O-N 3.24Å; V720-T724 WeakPolarHBondContact CA-OG1 3.41Å; V720-T724 WeakPolarHBondContact O-CB 3.19Å; V720-T724 PolarHBondContact O-OG1 3.21Å; V720-R797 HydrophobicContact CG2-CB 4.45Å; V720-I798 HydrophobicContact CG2-CG2 4.14Å
721	K	94.4	Very high	93.4	Very high	170 Å²	170	66.7 Å²	66.7	74%	0.739	34%	0.343	S	S	*	.	H	α-helix	trans	-74	-37.9	179.6	-174.8	177.4	178	-179	0	113.3	N717 T718 A719 P725	N717-K721 VanDerWaalsContact O-CB 3.32Å; N717-K721 WeakPolarHBondContact O-CB 3.24Å; N717-K721 PolarHBondContact O-N 2.95Å; N717-K721 VanDerWaalsContact O-N 3.12Å; T718-K721 PolarHBondContact O-N 3.14Å; A719-K721 VanDerWaalsContact C-N 3.26Å; A719-K721 PolarHBondContact O-N 2.87Å; K721-P725 WeakPolarHBondContact O-CG 3.41Å
722	Q	94.3	Very high	93.4	Very high	121 Å²	121	65.7 Å²	65.7	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-94.2	-34.1	-171.5	-68.1	-178.9	-3.8	0	0	113.6	T718 A719	T718-Q722 HydrophobicContact CG2-CG 4.32Å; T718-Q722 WeakPolarHBondContact O-CB 3.18Å; T718-Q722 WeakPolarHBondContact O-CG 3.44Å; T718-Q722 PolarHBondContact O-N 3.47Å; A719-Q722 PolarHBondContact O-N 2.79Å
723	I	93.4	Very high	93.4	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-37.4	-166.7	-58.1	168.3	0	0	0	111.9	A719 P725 I726 Q732 L736 F739 I798	A719-I723 HydrophobicContact CB-CD1 4.04Å; A719-I723 VanDerWaalsContact O-CB 3.27Å; A719-I723 WeakPolarHBondContact O-CB 3.32Å; A719-I723 PolarHBondContact O-N 3.17Å; I723-P725 VanDerWaalsContact C-N 3.27Å; I723-I726 HydrophobicContact CG2-CD1 4.4Å; I723-I726 WeakPolarHBondContact O-CB 2.99Å; I723-I726 WeakPolarHBondContact O-CG1 3.45Å; I723-I726 PolarHBondContact O-N 2.98Å; I723-Q732 HydrophobicContact CG2-CG 3.52Å; I723-Q732 PolarHBondContact O-NE2 3.4Å; I723-L736 HydrophobicContact CD1-CB 4.16Å; I723-L736 HydrophobicContact CD1-CD1 3.67Å; I723-L736 HydrophobicContact CG2-CB 4.36Å; I723-F739 HydrophobicContact CD1-CB 3.96Å; I723-F739 HydrophobicContact CD1-CD1 4.37Å; I723-F739 HydrophobicContact CD1-CG 4.16Å; I723-I798 HydrophobicContact CG2-CD1 3.77Å
724	T	90.9	Very high	93.5	Very high	61 Å²	61	68.1 Å²	68.1	37%	0.374	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.8	175.4	-52.5	0	0	0	0	113.4	V720 I726 I798	V720-T724 WeakPolarHBondContact CA-OG1 3.41Å; V720-T724 WeakPolarHBondContact O-CB 3.19Å; V720-T724 PolarHBondContact O-OG1 3.21Å; T724-I726 PolarHBondContact O-N 3.29Å; T724-I798 VanDerWaalsContact OG1-CG2 3.31Å; T724-I798 WeakPolarHBondContact OG1-CG2 3.28Å
725	P	92.8	Very high	93.6	Very high	87 Å²	87	64.8 Å²	64.8	57%	0.565	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.9	178.1	-20.7	34.7	0	0	0	115.8	K721 I723 N727	K721-P725 WeakPolarHBondContact O-CG 3.41Å; I723-P725 VanDerWaalsContact C-N 3.27Å; P725-N727 PolarHBondContact O-N 2.71Å
726	I	92.2	Very high	93.6	Very high	42 Å²	42	63 Å²	63	22%	0.215	32%	0.323	C	S	.	.			trans	-76.5	115.9	-178.2	-58.2	175.5	0	0	0	109.2	I723 T724 E731 Q732 S735	I723-I726 HydrophobicContact CG2-CD1 4.4Å; I723-I726 WeakPolarHBondContact O-CB 2.99Å; I723-I726 WeakPolarHBondContact O-CG1 3.45Å; I723-I726 PolarHBondContact O-N 2.98Å; T724-I726 PolarHBondContact O-N 3.29Å; I726-E731 HydrophobicContact CG2-CB 3.87Å; I726-E731 HydrophobicContact CG2-CG 3.98Å; I726-Q732 HydrophobicContact CB-CB 4.23Å; I726-Q732 HydrophobicContact CB-CG 4.4Å; I726-Q732 HydrophobicContact CG2-CB 4.12Å; I726-S735 VanDerWaalsContact CD1-OG 3.28Å; I726-S735 WeakPolarHBondContact CD1-OG 3.39Å
727	N	88	Confident	93.8	Very high	167 Å²	167	62.1 Å²	62.1	89%	0.893	32%	0.318	S	S	*	.			trans	-76.3	-30.3	-175.3	-67.9	-32.1	0	0	0	113.9	P725	P725-N727 PolarHBondContact O-N 2.71Å
728	E	91.3	Very high	93.9	Very high	121 Å²	121	62.7 Å²	62.7	57%	0.565	32%	0.319	S	S	*	.	S	Bend	trans	-85.1	118.4	-178	-174.6	177.8	175	0	0	110.3	K730 E731 Q732	E728-K730 VanDerWaalsContact C-N 3.31Å; E728-K730 PolarHBondContact O-N 3.36Å; E728-E731 HydrophobicContact CB-CB 4.09Å; E728-E731 HydrophobicContact CG-CB 4.41Å; E728-E731 PolarHBondContact O-N 2.65Å; E728-E731 VanDerWaalsContact O-N 3.12Å; E728-Q732 WeakPolarHBondContact O-CB 3.29Å; E728-Q732 PolarHBondContact O-N 3.03Å
729	L	91.2	Very high	94	Very high	73 Å²	73	61.6 Å²	61.6	38%	0.382	31%	0.31	S	S	.	.	H	α-helix	trans	-53.7	-44.4	-176.6	-179.2	65.5	0	0	0	112.8	Q732 I733 L800	L729-Q732 WeakPolarHBondContact O-CB 3.38Å; L729-Q732 PolarHBondContact O-N 2.83Å; L729-I733 HydrophobicContact CD1-CD1 4.24Å; L729-I733 HydrophobicContact CG-CD1 3.94Å; L729-I733 WeakPolarHBondContact O-CD1 3.26Å; L729-I733 VanDerWaalsContact O-CG1 3.26Å; L729-I733 WeakPolarHBondContact O-CG1 3.5Å; L729-I733 PolarHBondContact O-N 2.94Å; L729-L800 HydrophobicContact CD1-CD1 3.37Å
730	K	91.9	Very high	94.1	Very high	62 Å²	62	61.6 Å²	61.6	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-43.4	179.7	-72.4	-174.7	176.6	-174.4	0	112	E728 Q732 I733 K734 I818 E821 L843	E728-K730 VanDerWaalsContact C-N 3.31Å; E728-K730 PolarHBondContact O-N 3.36Å; K730-Q732 VanDerWaalsContact C-N 3.32Å; K730-I733 PolarHBondContact O-N 2.7Å; K730-K734 WeakPolarHBondContact O-CB 3.38Å; K730-K734 PolarHBondContact O-N 2.85Å; K730-I818 HydrophobicContact CG-CD1 4.44Å; K730-I818 HydrophobicContact CG-CG2 4.41Å; K730-E821 IonicContact NZ-OE1 3.77Å; K730-E821 PolarHBondContact NZ-OE1 3.34Å; K730-L843 HydrophobicContact CG-CD1 4.22Å
731	E	93.6	Very high	94.2	Very high	78 Å²	78	58.8 Å²	58.8	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-69.7	-33.5	178.4	-168.7	63.5	-174.2	0	0	111.4	I726 E728 K734 S735	I726-E731 HydrophobicContact CG2-CB 3.87Å; I726-E731 HydrophobicContact CG2-CG 3.98Å; E728-E731 HydrophobicContact CB-CB 4.09Å; E728-E731 HydrophobicContact CG-CB 4.41Å; E728-E731 PolarHBondContact O-N 2.65Å; E728-E731 VanDerWaalsContact O-N 3.12Å; E731-K734 PolarHBondContact O-N 3.44Å; E731-S735 VanDerWaalsContact O-CB 3.24Å; E731-S735 WeakPolarHBondContact O-CB 3.34Å; E731-S735 PolarHBondContact O-N 2.83Å; E731-S735 PolarHBondContact O-OG 2.66Å
732	Q	94.5	Very high	94.3	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-47	173.8	-165.2	179.2	53.8	0	0	111.5	I723 I726 E728 L729 K730 S735 L736 I798	I723-Q732 HydrophobicContact CG2-CG 3.52Å; I723-Q732 PolarHBondContact O-NE2 3.4Å; I726-Q732 HydrophobicContact CB-CB 4.23Å; I726-Q732 HydrophobicContact CB-CG 4.4Å; I726-Q732 HydrophobicContact CG2-CB 4.12Å; E728-Q732 WeakPolarHBondContact O-CB 3.29Å; E728-Q732 PolarHBondContact O-N 3.03Å; L729-Q732 WeakPolarHBondContact O-CB 3.38Å; L729-Q732 PolarHBondContact O-N 2.83Å; K730-Q732 VanDerWaalsContact C-N 3.32Å; Q732-S735 PolarHBondContact O-N 3.13Å; Q732-L736 WeakPolarHBondContact O-CB 3.48Å; Q732-L736 PolarHBondContact O-N 3.46Å; Q732-I798 HydrophobicContact CG-CD1 4.21Å
733	I	95.6	Very high	94.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-46	176.2	-65.9	155.5	0	0	0	110.8	L729 K730 L736 G737 F791 L800 V816 I818 V834 L843	L729-I733 HydrophobicContact CD1-CD1 4.24Å; L729-I733 HydrophobicContact CG-CD1 3.94Å; L729-I733 WeakPolarHBondContact O-CD1 3.26Å; L729-I733 VanDerWaalsContact O-CG1 3.26Å; L729-I733 WeakPolarHBondContact O-CG1 3.5Å; L729-I733 PolarHBondContact O-N 2.94Å; K730-I733 PolarHBondContact O-N 2.7Å; I733-L736 PolarHBondContact O-N 2.92Å; I733-G737 PolarHBondContact O-N 3.3Å; I733-F791 HydrophobicContact CG2-CZ 4.23Å; I733-L800 HydrophobicContact CD1-CD1 4.33Å; I733-L800 HydrophobicContact CG1-CD1 3.77Å; I733-L800 HydrophobicContact CG1-CD2 3.82Å; I733-L800 HydrophobicContact CG1-CG 4.41Å; I733-V816 HydrophobicContact CD1-CB 4.18Å; I733-V816 HydrophobicContact CD1-CG1 4.37Å; I733-V816 HydrophobicContact CD1-CG2 3.91Å; I733-V816 HydrophobicContact CG1-CG1 4.42Å; I733-I818 HydrophobicContact CD1-CD1 3.97Å; I733-I818 HydrophobicContact CD1-CG1 4.29Å; I733-V834 HydrophobicContact CG2-CG1 4.13Å; I733-V834 HydrophobicContact CG2-CG2 3.83Å; I733-L843 HydrophobicContact CG2-CD2 3.76Å
734	K	96.2	Very high	94.4	Very high	80 Å²	80	49.2 Å²	49.2	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-50.6	179.3	-178.4	-173.9	166.1	-157.2	0	111.4	K730 E731 L736 G737 E738	K730-K734 WeakPolarHBondContact O-CB 3.38Å; K730-K734 PolarHBondContact O-N 2.85Å; E731-K734 PolarHBondContact O-N 3.44Å; K734-L736 VanDerWaalsContact C-N 3.26Å; K734-L736 PolarHBondContact O-N 3.41Å; K734-G737 PolarHBondContact O-N 2.93Å; K734-G737 VanDerWaalsContact O-N 3.12Å; K734-E738 WeakPolarHBondContact CE-OE1 3.23Å; K734-E738 WeakPolarHBondContact O-CG 2.98Å; K734-E738 PolarHBondContact O-N 3.26Å
735	S	96.8	Very high	94.3	Very high	24 Å²	24	49.5 Å²	49.5	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-38	178	-60.4	0	0	0	0	111.7	I726 E731 Q732 F739	I726-S735 VanDerWaalsContact CD1-OG 3.28Å; I726-S735 WeakPolarHBondContact CD1-OG 3.39Å; E731-S735 VanDerWaalsContact O-CB 3.24Å; E731-S735 WeakPolarHBondContact O-CB 3.34Å; E731-S735 PolarHBondContact O-N 2.83Å; E731-S735 PolarHBondContact O-OG 2.66Å; Q732-S735 PolarHBondContact O-N 3.13Å; S735-F739 VanDerWaalsContact O-CB 3.23Å; S735-F739 WeakPolarHBondContact O-CB 3.45Å; S735-F739 PolarHBondContact O-N 3.44Å
736	L	97.3	Very high	94.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-42.6	175.1	-174.1	62.3	0	0	0	112.6	I723 Q732 I733 K734 F739 V740 F791 L794 A795 I798 L800	I723-L736 HydrophobicContact CD1-CB 4.16Å; I723-L736 HydrophobicContact CD1-CD1 3.67Å; I723-L736 HydrophobicContact CG2-CB 4.36Å; Q732-L736 WeakPolarHBondContact O-CB 3.48Å; Q732-L736 PolarHBondContact O-N 3.46Å; I733-L736 PolarHBondContact O-N 2.92Å; K734-L736 VanDerWaalsContact C-N 3.26Å; K734-L736 PolarHBondContact O-N 3.41Å; L736-F739 PolarHBondContact O-N 2.84Å; L736-V740 HydrophobicContact CD1-CG2 4.33Å; L736-V740 VanDerWaalsContact O-CG2 3.3Å; L736-V740 WeakPolarHBondContact O-CG2 2.99Å; L736-V740 PolarHBondContact O-N 3.47Å; L736-F791 HydrophobicContact CB-CD2 4.42Å; L736-F791 HydrophobicContact CB-CE2 3.88Å; L736-F791 HydrophobicContact CD2-CD2 3.86Å; L736-F791 HydrophobicContact CD2-CE1 4.4Å; L736-F791 HydrophobicContact CD2-CE2 3.58Å; L736-F791 HydrophobicContact CD2-CG 4.4Å; L736-F791 HydrophobicContact CD2-CZ 3.87Å; L736-F791 HydrophobicContact CG-CD2 3.72Å; L736-F791 HydrophobicContact CG-CE2 3.58Å; L736-F791 HydrophobicContact CG-CZ 4.36Å; L736-L794 HydrophobicContact CD1-CB 3.76Å; L736-L794 HydrophobicContact CD1-CD1 3.97Å; L736-A795 HydrophobicContact CD2-CB 3.87Å; L736-I798 HydrophobicContact CD2-CD1 4.06Å; L736-L800 HydrophobicContact CD2-CD2 3.89Å
737	G	97.3	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-44.9	176.6	0	0	0	0	0	112.4	I733 K734 A741	I733-G737 PolarHBondContact O-N 3.3Å; K734-G737 PolarHBondContact O-N 2.93Å; K734-G737 VanDerWaalsContact O-N 3.12Å; G737-A741 WeakPolarHBondContact O-CB 3.29Å; G737-A741 PolarHBondContact O-N 3.46Å
738	E	97.3	Very high	94.3	Very high	91 Å²	91	40.9 Å²	40.9	43%	0.425	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-43.4	174.3	-69.7	176.4	176.4	0	0	111.9	K734 A741 S742 P840	K734-E738 WeakPolarHBondContact CE-OE1 3.23Å; K734-E738 WeakPolarHBondContact O-CG 2.98Å; K734-E738 PolarHBondContact O-N 3.26Å; E738-A741 PolarHBondContact O-N 3.49Å; E738-S742 WeakPolarHBondContact O-CB 3.21Å; E738-S742 PolarHBondContact O-N 3.02Å; E738-P840 HydrophobicContact CG-CB 4.46Å; E738-P840 WeakPolarHBondContact CG-O 3.46Å
739	F	97.3	Very high	94	Very high	27 Å²	27	37.5 Å²	37.5	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-50.8	177.3	-178.9	-102	0	0	0	111.9	W715 T718 A719 I723 S735 L736 A741 S742 C743 L794	W715-F739 HydrophobicContact CB-CE1 4.19Å; W715-F739 HydrophobicContact CB-CZ 4.24Å; W715-F739 WeakPolarHBondContact O-CE1 3.18Å; W715-F739 WeakPolarHBondContact O-CZ 3.42Å; T718-F739 HydrophobicContact CG2-CE2 3.67Å; T718-F739 HydrophobicContact CG2-CZ 3.97Å; A719-F739 HydrophobicContact CB-CD1 4.06Å; A719-F739 HydrophobicContact CB-CE1 3.76Å; A719-F739 HydrophobicContact CB-CZ 4.36Å; I723-F739 HydrophobicContact CD1-CB 3.96Å; I723-F739 HydrophobicContact CD1-CD1 4.37Å; I723-F739 HydrophobicContact CD1-CG 4.16Å; S735-F739 VanDerWaalsContact O-CB 3.23Å; S735-F739 WeakPolarHBondContact O-CB 3.45Å; S735-F739 PolarHBondContact O-N 3.44Å; L736-F739 PolarHBondContact O-N 2.84Å; F739-A741 VanDerWaalsContact C-N 3.31Å; F739-A741 PolarHBondContact O-N 3.47Å; F739-S742 WeakPolarHBondContact O-CB 3.41Å; F739-S742 PolarHBondContact O-N 3.22Å; F739-S742 VanDerWaalsContact O-N 3.07Å; F739-S742 PolarHBondContact O-OG 3.16Å; F739-C743 PolarHBondContact O-N 2.92Å; F739-C743 PolarHBondContact O-SG 2.85Å; F739-C743 VanDerWaalsContact O-SG 3.36Å; F739-L794 HydrophobicContact CD1-CD1 3.9Å; F739-L794 HydrophobicContact CE1-CD1 3.87Å
740	V	97.3	Very high	93.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-41.8	178	171.4	0	0	0	0	111.3	L736 S742 C743 Y744 R787 V790 F791 L794	L736-V740 HydrophobicContact CD1-CG2 4.33Å; L736-V740 VanDerWaalsContact O-CG2 3.3Å; L736-V740 WeakPolarHBondContact O-CG2 2.99Å; L736-V740 PolarHBondContact O-N 3.47Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-S742 PolarHBondContact O-N 3.45Å; V740-C743 WeakPolarHBondContact O-CB 3.48Å; V740-C743 PolarHBondContact O-N 3.15Å; V740-Y744 HydrophobicContact CG1-CD2 4.44Å; V740-Y744 PolarHBondContact O-N 3.13Å; V740-R787 HydrophobicContact CG1-CB 4.04Å; V740-R787 HydrophobicContact CG1-CG 4.46Å; V740-R787 WeakPolarHBondContact CG1-O 3.45Å; V740-V790 HydrophobicContact CG1-CB 4.5Å; V740-V790 HydrophobicContact CG1-CG1 4.5Å; V740-V790 HydrophobicContact CG2-CG1 4.28Å; V740-F791 HydrophobicContact CG1-CB 4.47Å; V740-F791 HydrophobicContact CG2-CB 4.13Å; V740-F791 HydrophobicContact CG2-CD2 4.21Å; V740-L794 HydrophobicContact CG2-CD1 3.93Å
741	A	95.8	Very high	92.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-43.2	174.9	0	0	0	0	0	111.3	G737 E738 F739 C743 Y744 G745 G746 P840	G737-A741 WeakPolarHBondContact O-CB 3.29Å; G737-A741 PolarHBondContact O-N 3.46Å; E738-A741 PolarHBondContact O-N 3.49Å; F739-A741 VanDerWaalsContact C-N 3.31Å; F739-A741 PolarHBondContact O-N 3.47Å; A741-C743 VanDerWaalsContact C-N 3.31Å; A741-C743 PolarHBondContact O-N 3.21Å; A741-Y744 CarbonylContact O-C 3.46Å; A741-Y744 PolarHBondContact O-N 3.15Å; A741-G745 PolarHBondContact O-N 3.45Å; A741-G746 WeakPolarHBondContact O-CA 3.33Å; A741-G746 PolarHBondContact O-N 2.7Å; A741-P840 HydrophobicContact CB-CB 3.47Å; A741-P840 VanDerWaalsContact CB-CB 3.47Å; A741-P840 HydrophobicContact CB-CG 3.38Å
742	S	96	Very high	91.5	Very high	74 Å²	74	45.9 Å²	45.9	52%	0.517	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-37.2	178.4	82.2	0	0	0	0	113.1	E738 F739 V740 Y744 G745	E738-S742 WeakPolarHBondContact O-CB 3.21Å; E738-S742 PolarHBondContact O-N 3.02Å; F739-S742 WeakPolarHBondContact O-CB 3.41Å; F739-S742 PolarHBondContact O-N 3.22Å; F739-S742 VanDerWaalsContact O-N 3.07Å; F739-S742 PolarHBondContact O-OG 3.16Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-S742 PolarHBondContact O-N 3.45Å; S742-Y744 PolarHBondContact O-N 3.25Å; S742-G745 PolarHBondContact O-N 2.95Å
743	C	95.3	Very high	90.3	Very high	20 Å²	20	46.8 Å²	46.8	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-26.6	174.3	-67.2	0	0	0	0	112.8	W715 F739 V740 A741	W715-C743 HydrophobicContact CD2-CB 3.83Å; W715-C743 VanDerWaalsContact CD2-SG 3.59Å; W715-C743 HydrophobicContact CE3-CB 3.94Å; W715-C743 HydrophobicContact CH2-CB 3.88Å; W715-C743 HydrophobicContact CZ2-CB 3.75Å; W715-C743 HydrophobicContact CZ3-CB 3.97Å; F739-C743 PolarHBondContact O-N 2.92Å; F739-C743 PolarHBondContact O-SG 2.85Å; F739-C743 VanDerWaalsContact O-SG 3.36Å; V740-C743 WeakPolarHBondContact O-CB 3.48Å; V740-C743 PolarHBondContact O-N 3.15Å; A741-C743 VanDerWaalsContact C-N 3.31Å; A741-C743 PolarHBondContact O-N 3.21Å
744	Y	93.6	Very high	88.7	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	25.5	-174.8	-75.6	-60.1	0	0	0	114.2	W715 V740 A741 S742 V776 I779 K780 G782 Q786 R787 V790	W715-Y744 HydrophobicContact CH2-CE1 4.06Å; W715-Y744 HydrophobicContact CZ3-CE1 4.25Å; W715-Y744 HydrophobicContact CZ3-CE2 4.15Å; W715-Y744 AromaticContact CZ3-CZ 3.81Å; V740-Y744 HydrophobicContact CG1-CD2 4.44Å; V740-Y744 PolarHBondContact O-N 3.13Å; A741-Y744 CarbonylContact O-C 3.46Å; A741-Y744 PolarHBondContact O-N 3.15Å; S742-Y744 PolarHBondContact O-N 3.25Å; Y744-V776 PolarHBondContact OH-O 3.04Å; Y744-I779 VanDerWaalsContact CD1-O 3.28Å; Y744-I779 WeakPolarHBondContact CD1-O 3.44Å; Y744-I779 HydrophobicContact CE1-CB 4.02Å; Y744-I779 HydrophobicContact CE1-CG2 4.23Å; Y744-I779 WeakPolarHBondContact CE1-O 3.32Å; Y744-K780 CarbonylContact C-O 3.49Å; Y744-G782 VanDerWaalsContact CD1-N 3.31Å; Y744-Q786 HydrophobicContact CE1-CB 4.33Å; Y744-Q786 HydrophobicContact CE2-CB 4.3Å; Y744-R787 HydrophobicContact CD2-CG 3.83Å; Y744-R787 HydrophobicContact CG-CG 4.29Å; Y744-R787 PolarHBondContact O-NH2 3.45Å; Y744-R787 VanDerWaalsContact O-NH2 3.1Å; Y744-V790 HydrophobicContact CE2-CB 4.13Å; Y744-V790 HydrophobicContact CE2-CG2 3.81Å; Y744-V790 VanDerWaalsContact OH-CG2 3.32Å; Y744-V790 WeakPolarHBondContact OH-CG2 3.31Å
745	G	89.1	Confident	87	Confident	67 Å²	67	54.7 Å²	54.7	69%	0.691	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	7.6	173.3	0	0	0	0	0	115.9	A741 S742	A741-G745 PolarHBondContact O-N 3.45Å; S742-G745 PolarHBondContact O-N 2.95Å
746	G	91.9	Very high	85.3	Confident	21 Å²	21	54.4 Å²	54.4	22%	0.216	32%	0.317	C	S	.	.	S	Bend	trans	90.8	-163.6	176.4	0	0	0	0	0	114.4	A741 R787	A741-G746 WeakPolarHBondContact O-CA 3.33Å; A741-G746 PolarHBondContact O-N 2.7Å; G746-R787 VanDerWaalsContact O-CZ 3.31Å; G746-R787 PolarHBondContact O-NH1 3.28Å; G746-R787 PolarHBondContact O-NH2 3.38Å
747	S	91.6	Very high	83.6	Confident	81 Å²	81	63 Å²	63	57%	0.566	35%	0.349	S	S	*	.			trans	-63	144	174	55.6	0	0	0	0	111.2	M837	S747-M837 CarbonylContact C-O 3.59Å; S747-M837 WeakPolarHBondContact CA-O 3.24Å
748	V	89.2	Confident	82.3	Confident	13 Å²	13	65 Å²	65	8%	0.079	36%	0.36	C	S	.	.			trans	-112.3	131	-178.7	172.9	0	0	0	0	108.2	E752 L756 M837 F838	V748-E752 HydrophobicContact CG1-CB 4.19Å; V748-L756 HydrophobicContact CB-CD1 4.03Å; V748-L756 HydrophobicContact CG1-CD1 3.19Å; V748-L756 HydrophobicContact CG2-CD1 3.61Å; V748-M837 HydrophobicContact CB-CE 4.17Å; V748-M837 HydrophobicContact CG1-CE 4.28Å; V748-M837 HydrophobicContact CG2-CE 4.01Å; V748-M837 PolarHBondContact N-O 2.95Å; V748-F838 WeakPolarHBondContact O-CD1 3.42Å
749	S	85	Confident	81.3	Confident	49 Å²	49	66.9 Å²	66.9	34%	0.343	37%	0.368	S	S	.	.			trans	-69.7	149.9	173.2	66.9	0	0	0	0	111.3	D751 E752 Q753	S749-D751 PolarHBondContact O-N 2.92Å; S749-D751 VanDerWaalsContact O-N 3.08Å; S749-E752 WeakPolarHBondContact CB-OE2 3.46Å; S749-E752 PolarHBondContact N-OE2 3.09Å; S749-E752 PolarHBondContact O-N 3.34Å; S749-E752 VanDerWaalsContact O-N 3.1Å; S749-E752 WeakPolarHBondContact OG-CB 3.4Å; S749-E752 WeakPolarHBondContact OG-CG 3.48Å; S749-E752 PolarHBondContact OG-N 2.99Å; S749-E752 PolarHBondContact OG-OE2 3.45Å; S749-Q753 PolarHBondContact O-N 2.95Å
750	K	80.6	Confident	80.6	Confident	134 Å²	134	71.8 Å²	71.8	58%	0.583	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.3	177.7	-72.5	-173.5	177.2	-173.3	0	112.6	Q753 F838	K750-Q753 WeakPolarHBondContact O-CB 3.14Å; K750-F838 HydrophobicContact CB-CD1 4.48Å; K750-F838 HydrophobicContact CB-CE1 4.29Å; K750-F838 HydrophobicContact CG-CD1 3.62Å; K750-F838 HydrophobicContact CG-CE1 3.66Å; K750-F838 HydrophobicContact CG-CG 4.13Å; K750-F838 HydrophobicContact CG-CZ 4.18Å
751	D	73	Confident	80	Confident	147 Å²	147	73.8 Å²	73.8	79%	0.786	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-34.5	179.3	-60.8	-37.2	0	0	0	113.3	S749 Q753	S749-D751 PolarHBondContact O-N 2.92Å; S749-D751 VanDerWaalsContact O-N 3.08Å; D751-Q753 PolarHBondContact O-N 3.22Å
752	E	72	Confident	79.7	Confident	109 Å²	109	74.7 Å²	74.7	51%	0.509	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-76.8	-9.6	-179.9	-73.9	165.6	149.1	0	0	113.5	V748 S749 I754 T755 L756	V748-E752 HydrophobicContact CG1-CB 4.19Å; S749-E752 WeakPolarHBondContact CB-OE2 3.46Å; S749-E752 PolarHBondContact N-OE2 3.09Å; S749-E752 PolarHBondContact O-N 3.34Å; S749-E752 VanDerWaalsContact O-N 3.1Å; S749-E752 WeakPolarHBondContact OG-CB 3.4Å; S749-E752 WeakPolarHBondContact OG-CG 3.48Å; S749-E752 PolarHBondContact OG-N 2.99Å; S749-E752 PolarHBondContact OG-OE2 3.45Å; E752-I754 PolarHBondContact O-N 2.89Å; E752-I754 VanDerWaalsContact O-N 3.17Å; E752-T755 WeakPolarHBondContact O-CB 3.09Å; E752-T755 PolarHBondContact O-N 3.32Å; E752-T755 PolarHBondContact O-OG1 3.32Å; E752-L756 PolarHBondContact O-N 3.05Å
753	Q	67.7	Low	79.3	Confident	42 Å²	42	73 Å²	73	20%	0.196	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-58.2	-34	-173.7	-162	-159	-34.4	0	0	113.3	S749 K750 D751 T755 F784 R811	S749-Q753 PolarHBondContact O-N 2.95Å; K750-Q753 WeakPolarHBondContact O-CB 3.14Å; D751-Q753 PolarHBondContact O-N 3.22Å; Q753-T755 VanDerWaalsContact C-N 3.31Å; Q753-F784 HydrophobicContact CG-CE2 3.9Å; Q753-F784 VanDerWaalsContact NE2-CE2 3.26Å; Q753-R811 VanDerWaalsContact CD-NH2 3.29Å; Q753-R811 VanDerWaalsContact NE2-NE 3.14Å
754	I	62.9	Low	79	Confident	143 Å²	143	77.1 Å²	77.1	73%	0.733	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-68.7	-34.3	179.3	-61.3	174.1	0	0	0	110.6	E752 L756	E752-I754 PolarHBondContact O-N 2.89Å; E752-I754 VanDerWaalsContact O-N 3.17Å; I754-L756 VanDerWaalsContact C-N 3.31Å; I754-L756 PolarHBondContact O-N 3Å
755	T	60.1	Low	78.8	Confident	105 Å²	105	78.4 Å²	78.4	64%	0.644	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-72.4	-25.3	-176.6	-36.6	0	0	0	0	112.3	E752 Q753 R757	E752-T755 WeakPolarHBondContact O-CB 3.09Å; E752-T755 PolarHBondContact O-N 3.32Å; E752-T755 PolarHBondContact O-OG1 3.32Å; Q753-T755 VanDerWaalsContact C-N 3.31Å; T755-R757 PolarHBondContact O-N 3.46Å
756	L	61	Low	78.8	Confident	18 Å²	18	76 Å²	76	9%	0.094	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-67	-2.7	180	-94.6	138.5	0	0	0	115.4	V748 E752 I754 N758 Q781 G782 M837	V748-L756 HydrophobicContact CB-CD1 4.03Å; V748-L756 HydrophobicContact CG1-CD1 3.19Å; V748-L756 HydrophobicContact CG2-CD1 3.61Å; E752-L756 PolarHBondContact O-N 3.05Å; I754-L756 VanDerWaalsContact C-N 3.31Å; I754-L756 PolarHBondContact O-N 3Å; L756-N758 WeakPolarHBondContact O-CB 3.37Å; L756-N758 PolarHBondContact O-N 3.23Å; L756-N758 VanDerWaalsContact O-N 3.13Å; L756-Q781 HydrophobicContact CD2-CB 4.09Å; L756-G782 WeakPolarHBondContact CD2-O 3.39Å; L756-M837 HydrophobicContact CD1-CE 4.18Å
757	R	62	Low	78.6	Confident	179 Å²	179	79.5 Å²	79.5	68%	0.675	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-60.3	-20.7	174.6	-80.9	-170.9	177.7	-170.1	1.2	113.2	T755 E759	T755-R757 PolarHBondContact O-N 3.46Å; R757-E759 HydrophobicContact CB-CG 4.41Å; R757-E759 WeakPolarHBondContact O-CG 3.38Å; R757-E759 PolarHBondContact O-N 3.26Å
758	N	68.8	Low	78.5	Confident	42 Å²	42	82.9 Å²	82.9	23%	0.225	42%	0.423	C	S	.	.			trans	42.4	27	162.2	-84.8	-19.3	0	0	0	116.6	L756 L760 S761 L762 Q781	L756-N758 WeakPolarHBondContact O-CB 3.37Å; L756-N758 PolarHBondContact O-N 3.23Å; L756-N758 VanDerWaalsContact O-N 3.13Å; N758-L760 PolarHBondContact O-N 3.46Å; N758-S761 WeakPolarHBondContact CB-OG 3.24Å; N758-S761 PolarHBondContact O-N 2.92Å; N758-S761 PolarHBondContact O-OG 3.27Å; N758-L762 PolarHBondContact O-N 3.29Å; N758-L762 VanDerWaalsContact O-N 3.07Å; N758-Q781 WeakPolarHBondContact ND2-CB 3.37Å; N758-Q781 PolarHBondContact ND2-OE1 2.9Å
759	E	78.2	Confident	78.5	Confident	131 Å²	131	85.2 Å²	85.2	61%	0.612	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-34.4	-172.4	-65.9	179.4	-178.9	0	0	111.2	R757 S763	R757-E759 HydrophobicContact CB-CG 4.41Å; R757-E759 WeakPolarHBondContact O-CG 3.38Å; R757-E759 PolarHBondContact O-N 3.26Å; E759-S763 VanDerWaalsContact O-CB 3.28Å; E759-S763 WeakPolarHBondContact O-CB 3.45Å; E759-S763 PolarHBondContact O-N 3.46Å; E759-S763 PolarHBondContact O-OG 3.13Å
760	L	82	Confident	78.8	Confident	130 Å²	130	89.3 Å²	89.3	68%	0.681	45%	0.453	S	S	*	.	H	α-helix	trans	-64.6	-47.7	175.7	-172.5	68.2	0	0	0	111.8	N758 S763 Q764	N758-L760 PolarHBondContact O-N 3.46Å; L760-S763 PolarHBondContact O-N 3.19Å; L760-Q764 WeakPolarHBondContact O-CG 3.42Å; L760-Q764 PolarHBondContact O-N 3.15Å
761	S	85	Confident	79.3	Confident	42 Å²	42	83.6 Å²	83.6	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-38.7	179.9	67.2	0	0	0	0	112.5	N758 S763 Q764 L765	N758-S761 WeakPolarHBondContact CB-OG 3.24Å; N758-S761 PolarHBondContact O-N 2.92Å; N758-S761 PolarHBondContact O-OG 3.27Å; S761-S763 VanDerWaalsContact C-N 3.34Å; S761-Q764 PolarHBondContact O-N 3.21Å; S761-L765 WeakPolarHBondContact O-CG 3.48Å; S761-L765 PolarHBondContact O-N 3.29Å
762	L	88.6	Confident	80.3	Confident	21 Å²	21	76.7 Å²	76.7	11%	0.11	39%	0.393	C	S	.	.	H	α-helix	trans	-67.5	-37.8	175.5	-64.5	177.1	0	0	0	110.9	P662 F664 N758 L765 R766 I774 I779	P662-L762 HydrophobicContact CG-CD1 4.17Å; F664-L762 HydrophobicContact CE1-CD1 4.5Å; F664-L762 HydrophobicContact CE1-CD2 4.39Å; F664-L762 HydrophobicContact CZ-CD1 4.36Å; N758-L762 PolarHBondContact O-N 3.29Å; N758-L762 VanDerWaalsContact O-N 3.07Å; L762-L765 HydrophobicContact CD2-CD1 4.38Å; L762-L765 PolarHBondContact O-N 3.03Å; L762-R766 WeakPolarHBondContact O-CG 3.28Å; L762-R766 PolarHBondContact O-N 2.88Å; L762-I774 HydrophobicContact CB-CD1 4.13Å; L762-I774 HydrophobicContact CD2-CD1 4Å; L762-I779 HydrophobicContact CD2-CD1 4.06Å; L762-I779 HydrophobicContact CD2-CG1 3.95Å; L762-I779 HydrophobicContact CD2-CG2 4.42Å
763	S	86.7	Confident	81.3	Confident	39 Å²	39	71.5 Å²	71.5	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-41.1	174.5	-60.1	0	0	0	0	112.2	E759 L760 S761 L765 R766 C767	E759-S763 VanDerWaalsContact O-CB 3.28Å; E759-S763 WeakPolarHBondContact O-CB 3.45Å; E759-S763 PolarHBondContact O-N 3.46Å; E759-S763 PolarHBondContact O-OG 3.13Å; L760-S763 PolarHBondContact O-N 3.19Å; S761-S763 VanDerWaalsContact C-N 3.34Å; S763-L765 PolarHBondContact O-N 3.26Å; S763-R766 PolarHBondContact O-N 3.42Å; S763-R766 PolarHBondContact OG-NH2 3.36Å; S763-C767 PolarHBondContact O-N 2.89Å; S763-C767 PolarHBondContact O-SG 2.99Å; S763-C767 VanDerWaalsContact O-SG 3.35Å
764	Q	89.1	Confident	82.6	Confident	106 Å²	106	69.5 Å²	69.5	50%	0.495	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-43.5	172.4	-72.9	171.6	-10.6	0	0	111.8	L760 S761 C767 Q768	L760-Q764 WeakPolarHBondContact O-CG 3.42Å; L760-Q764 PolarHBondContact O-N 3.15Å; S761-Q764 PolarHBondContact O-N 3.21Å; Q764-C767 PolarHBondContact O-N 3.31Å; Q764-Q768 WeakPolarHBondContact O-CB 3.36Å; Q764-Q768 VanDerWaalsContact O-CG 3.25Å; Q764-Q768 WeakPolarHBondContact O-CG 3.47Å; Q764-Q768 PolarHBondContact O-N 2.98Å
765	L	89.4	Confident	84.1	Confident	28 Å²	28	62.9 Å²	62.9	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-44.7	176	-76.3	171.7	0	0	0	111.9	S761 L762 S763 C767 Q768 L769 I774 L778	S761-L765 WeakPolarHBondContact O-CG 3.48Å; S761-L765 PolarHBondContact O-N 3.29Å; L762-L765 HydrophobicContact CD2-CD1 4.38Å; L762-L765 PolarHBondContact O-N 3.03Å; S763-L765 PolarHBondContact O-N 3.26Å; L765-C767 VanDerWaalsContact C-N 3.34Å; L765-C767 PolarHBondContact O-N 3.39Å; L765-Q768 PolarHBondContact O-N 3.18Å; L765-L769 WeakPolarHBondContact O-CB 3.15Å; L765-L769 VanDerWaalsContact O-CG 3.31Å; L765-L769 WeakPolarHBondContact O-CG 3.5Å; L765-L769 PolarHBondContact O-N 3.48Å; L765-I774 HydrophobicContact CB-CD1 4.46Å; L765-I774 HydrophobicContact CD1-CG2 4.28Å; L765-L778 HydrophobicContact CD2-CB 4.45Å
766	R	90.2	Very high	85.8	Confident	17 Å²	17	57.9 Å²	57.9	6%	0.064	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-43.9	175.5	-71	-175.1	-66.8	-175.6	-2.8	112.6	V657 N658 R660 L762 S763 L769 N770 S771 I774	V657-R766 HydrophobicContact CG1-CB 4.21Å; N658-R766 PolarHBondContact O-NH1 3.17Å; R660-R766 PolarHBondContact O-NH1 2.98Å; L762-R766 WeakPolarHBondContact O-CG 3.28Å; L762-R766 PolarHBondContact O-N 2.88Å; S763-R766 PolarHBondContact O-N 3.42Å; S763-R766 PolarHBondContact OG-NH2 3.36Å; R766-L769 PolarHBondContact O-N 3.21Å; R766-N770 WeakPolarHBondContact O-CA 3.47Å; R766-N770 PolarHBondContact O-N 2.96Å; R766-S771 WeakPolarHBondContact CA-O 3.48Å; R766-S771 WeakPolarHBondContact CB-O 3.44Å; R766-S771 WeakPolarHBondContact CG-O 3.39Å; R766-S771 PolarHBondContact O-N 3.48Å; R766-I774 HydrophobicContact CG-CD1 3.8Å; R766-I774 HydrophobicContact CG-CG1 4.02Å
767	C	87.8	Confident	87.4	Confident	94 Å²	94	57.3 Å²	57.3	64%	0.635	29%	0.293	S	S	*	.	H	α-helix	trans	-64.4	-40	176.5	-67.1	0	0	0	0	112	S763 Q764 L765 N770	S763-C767 PolarHBondContact O-N 2.89Å; S763-C767 PolarHBondContact O-SG 2.99Å; S763-C767 VanDerWaalsContact O-SG 3.35Å; Q764-C767 PolarHBondContact O-N 3.31Å; L765-C767 VanDerWaalsContact C-N 3.34Å; L765-C767 PolarHBondContact O-N 3.39Å; C767-N770 PolarHBondContact O-N 3.33Å
768	Q	90.1	Very high	88.8	Confident	151 Å²	151	51.9 Å²	51.9	71%	0.706	28%	0.278	S	S	*	.	H	α-helix	trans	-67.5	-40.2	178	-74.8	171.5	-0.5	0	0	112.6	Q764 L765 N770	Q764-Q768 WeakPolarHBondContact O-CB 3.36Å; Q764-Q768 VanDerWaalsContact O-CG 3.25Å; Q764-Q768 WeakPolarHBondContact O-CG 3.47Å; Q764-Q768 PolarHBondContact O-N 2.98Å; L765-Q768 PolarHBondContact O-N 3.18Å; Q768-N770 VanDerWaalsContact C-N 3.31Å
769	L	89.4	Confident	90	Very high	63 Å²	63	50.3 Å²	50.3	33%	0.33	27%	0.269	S	S	.	.	H	α-helix	trans	-80.8	-13	178	-65.3	172.4	0	0	0	112.8	L765 R766 S771 L778	L765-L769 WeakPolarHBondContact O-CB 3.15Å; L765-L769 VanDerWaalsContact O-CG 3.31Å; L765-L769 WeakPolarHBondContact O-CG 3.5Å; L765-L769 PolarHBondContact O-N 3.48Å; R766-L769 PolarHBondContact O-N 3.21Å; L769-S771 PolarHBondContact O-N 3.23Å; L769-L778 HydrophobicContact CD1-CD1 4.16Å; L769-L778 HydrophobicContact CD2-CD1 4.15Å
770	N	90.9	Very high	90.4	Very high	134 Å²	134	52.9 Å²	52.9	72%	0.717	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	40.6	-167.9	-169	46.2	0	0	0	112.5	V657 R766 C767 Q768	V657-N770 VanDerWaalsContact CG2-C 3.47Å; R766-N770 WeakPolarHBondContact O-CA 3.47Å; R766-N770 PolarHBondContact O-N 2.96Å; C767-N770 PolarHBondContact O-N 3.33Å; Q768-N770 VanDerWaalsContact C-N 3.31Å
771	S	91.4	Very high	90.7	Very high	15 Å²	15	51.6 Å²	51.6	11%	0.105	27%	0.269	C	S	.	.	S	Bend	trans	-150.1	151.6	-176.6	-176.3	0	0	0	0	110.8	R766 L769 L773	R766-S771 WeakPolarHBondContact CA-O 3.48Å; R766-S771 WeakPolarHBondContact CB-O 3.44Å; R766-S771 WeakPolarHBondContact CG-O 3.39Å; R766-S771 PolarHBondContact O-N 3.48Å; L769-S771 PolarHBondContact O-N 3.23Å; S771-L773 VanDerWaalsContact C-N 3.26Å; S771-L773 WeakPolarHBondContact OG-CB 3.49Å; S771-L773 PolarHBondContact OG-N 3.18Å; S771-L773 VanDerWaalsContact OG-N 3.1Å
772	N	92.6	Very high	90.9	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	26%	0.255	C	S	.	.	S	Bend	trans	-80.6	-10.3	169.7	-61.5	-59.2	0	0	0	112.5	Q655 S656 V657 N658 I663	Q655-N772 PolarHBondContact O-ND2 3.47Å; S656-N772 PolarHBondContact O-ND2 3.26Å; V657-N772 WeakPolarHBondContact CA-OD1 3.31Å; N658-N772 PolarHBondContact N-OD1 3.49Å; N658-N772 PolarHBondContact ND2-ND2 3.46Å; N658-N772 VanDerWaalsContact ND2-ND2 3.15Å; I663-N772 HydrophobicContact CD1-CB 3.53Å; I663-N772 PolarHBondContact N-O 3.14Å
773	L	93.9	Very high	91	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.2	175.9	-52.8	-177.5	0	0	0	109.7	L649 N653 I663 L665 Y706 S771	L649-L773 HydrophobicContact CD1-CD1 3.89Å; L649-L773 HydrophobicContact CD1-CD2 3.78Å; N653-L773 HydrophobicContact CB-CD1 3.97Å; N653-L773 WeakPolarHBondContact OD1-CD1 3.4Å; I663-L773 HydrophobicContact CB-CD2 3.78Å; I663-L773 HydrophobicContact CD1-CD2 4.39Å; I663-L773 HydrophobicContact CG1-CD2 4.35Å; I663-L773 HydrophobicContact CG2-CD2 3.85Å; I663-L773 WeakPolarHBondContact O-CA 3.37Å; L665-L773 HydrophobicContact CD2-CB 4.35Å; L665-L773 HydrophobicContact CD2-CD1 4.47Å; Y706-L773 HydrophobicContact CD1-CD1 4.07Å; S771-L773 VanDerWaalsContact C-N 3.26Å; S771-L773 WeakPolarHBondContact OG-CB 3.49Å; S771-L773 PolarHBondContact OG-N 3.18Å; S771-L773 VanDerWaalsContact OG-N 3.1Å
774	I	93.8	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.6	177.4	-56.9	-176.3	0	0	0	109.1	P662 I663 F664 L665 L762 L765 R766 V776 I779	P662-I774 HydrophobicContact CB-CD1 3.41Å; P662-I774 VanDerWaalsContact CB-CD1 3.41Å; P662-I774 HydrophobicContact CB-CG1 3.94Å; P662-I774 HydrophobicContact CG-CD1 4Å; I663-I774 PolarHBondContact O-N 3.23Å; F664-I774 HydrophobicContact CD1-CB 4.48Å; L665-I774 PolarHBondContact N-O 2.86Å; L762-I774 HydrophobicContact CB-CD1 4.13Å; L762-I774 HydrophobicContact CD2-CD1 4Å; L765-I774 HydrophobicContact CB-CD1 4.46Å; L765-I774 HydrophobicContact CD1-CG2 4.28Å; R766-I774 HydrophobicContact CG-CD1 3.8Å; R766-I774 HydrophobicContact CG-CG1 4.02Å; I774-V776 PolarHBondContact O-N 3.43Å; I774-I779 HydrophobicContact CG2-CD1 4.12Å; I774-I779 HydrophobicContact CG2-CG1 3.92Å
775	P	95	Very high	91.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	125.6	167	-25	33.7	0	0	0	111.2	L665 P707 D709 G777 L778	L665-P775 WeakPolarHBondContact O-CA 3.09Å; P707-P775 HydrophobicContact CB-CG 4.11Å; P707-P775 HydrophobicContact CG-CG 3.77Å; D709-P775 HydrophobicContact CB-CB 4.03Å; D709-P775 WeakPolarHBondContact OD2-CB 3.39Å; P775-G777 PolarHBondContact O-N 3.16Å; P775-L778 HydrophobicContact CB-CD1 4.04Å; P775-L778 HydrophobicContact CB-CG 4.07Å; P775-L778 HydrophobicContact CG-CD1 3.93Å; P775-L778 WeakPolarHBondContact O-CB 3.33Å; P775-L778 PolarHBondContact O-N 2.97Å
776	V	95.3	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.4	-171.5	-67.3	0	0	0	0	113.6	F664 L665 I666 D709 L712 Y744 I774 L778 I779 L789 V790	F664-V776 HydrophobicContact CB-CG1 3.79Å; F664-V776 HydrophobicContact CG-CG1 4.44Å; L665-V776 PolarHBondContact O-N 3.03Å; I666-V776 HydrophobicContact CG1-CG2 3.84Å; D709-V776 PolarHBondContact OD2-N 3.37Å; D709-V776 VanDerWaalsContact OD2-N 3.15Å; L712-V776 HydrophobicContact CD1-CG2 4.16Å; L712-V776 HydrophobicContact CD2-CG2 3.59Å; L712-V776 HydrophobicContact CG-CG2 4.38Å; Y744-V776 PolarHBondContact OH-O 3.04Å; I774-V776 PolarHBondContact O-N 3.43Å; V776-L778 VanDerWaalsContact C-N 3.29Å; V776-L778 PolarHBondContact O-N 3.35Å; V776-I779 PolarHBondContact O-N 3.41Å; V776-L789 HydrophobicContact CG1-CD2 4.18Å; V776-V790 HydrophobicContact CG2-CG2 4.19Å
777	G	94.2	Very high	92	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-71.6	-19	175.3	0	0	0	0	0	114	D709 T711 P775 I779	D709-G777 WeakPolarHBondContact OD1-CA 3.29Å; D709-G777 WeakPolarHBondContact OD2-CA 3.37Å; D709-G777 PolarHBondContact OD2-N 3.19Å; T711-G777 WeakPolarHBondContact CG2-O 3.48Å; P775-G777 PolarHBondContact O-N 3.16Å; G777-I779 VanDerWaalsContact C-N 3.29Å; G777-I779 PolarHBondContact O-N 2.83Å
778	L	93.4	Very high	92.4	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.346	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-80.6	-9.8	176.2	-62.7	-179.1	0	0	0	113.2	L765 L769 P775 V776 K780	L765-L778 HydrophobicContact CD2-CB 4.45Å; L769-L778 HydrophobicContact CD1-CD1 4.16Å; L769-L778 HydrophobicContact CD2-CD1 4.15Å; P775-L778 HydrophobicContact CB-CD1 4.04Å; P775-L778 HydrophobicContact CB-CG 4.07Å; P775-L778 HydrophobicContact CG-CD1 3.93Å; P775-L778 WeakPolarHBondContact O-CB 3.33Å; P775-L778 PolarHBondContact O-N 2.97Å; V776-L778 VanDerWaalsContact C-N 3.29Å; V776-L778 PolarHBondContact O-N 3.35Å; L778-K780 PolarHBondContact O-N 3.1Å
779	I	92.2	Very high	92.8	Very high	8 Å²	8	31 Å²	31	4%	0.041	16%	0.157	C	C	.	.			trans	-82.2	117.7	-179.3	-59.2	171	0	0	0	108.9	F664 Y744 L762 I774 V776 G777 Q786	F664-I779 HydrophobicContact CD1-CD1 3.69Å; F664-I779 HydrophobicContact CE1-CD1 3.56Å; Y744-I779 VanDerWaalsContact CD1-O 3.28Å; Y744-I779 WeakPolarHBondContact CD1-O 3.44Å; Y744-I779 HydrophobicContact CE1-CB 4.02Å; Y744-I779 HydrophobicContact CE1-CG2 4.23Å; Y744-I779 WeakPolarHBondContact CE1-O 3.32Å; L762-I779 HydrophobicContact CD2-CD1 4.06Å; L762-I779 HydrophobicContact CD2-CG1 3.95Å; L762-I779 HydrophobicContact CD2-CG2 4.42Å; I774-I779 HydrophobicContact CG2-CD1 4.12Å; I774-I779 HydrophobicContact CG2-CG1 3.92Å; V776-I779 PolarHBondContact O-N 3.41Å; G777-I779 VanDerWaalsContact C-N 3.29Å; G777-I779 PolarHBondContact O-N 2.83Å; I779-Q786 HydrophobicContact CD1-CG 3.74Å
780	K	88	Confident	93.1	Very high	186 Å²	186	28 Å²	28	81%	0.809	14%	0.142	S	C	*	.	S	Bend	trans	-74.6	-34.3	-177.1	-64.5	-175.8	178.7	-179.6	0	114.1	Y744 L778	Y744-K780 CarbonylContact C-O 3.49Å; L778-K780 PolarHBondContact O-N 3.1Å
781	Q	88.1	Confident	93.5	Very high	103 Å²	103	21.6 Å²	21.6	48%	0.481	11%	0.107	S	C	.	.	S	Bend	trans	-131.2	99.7	-176.4	-78.2	-178.5	4.5	0	0	108.6	L756 N758	L756-Q781 HydrophobicContact CD2-CB 4.09Å; N758-Q781 WeakPolarHBondContact ND2-CB 3.37Å; N758-Q781 PolarHBondContact ND2-OE1 2.9Å
782	G	88.5	Confident	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.			trans	-83.6	136.5	-177.2	0	0	0	0	0	112.3	Y744 L756 R787	Y744-G782 VanDerWaalsContact CD1-N 3.31Å; L756-G782 WeakPolarHBondContact CD2-O 3.39Å; G782-R787 PolarHBondContact O-NE 3.29Å
783	S	90.2	Very high	94	Very high	33 Å²	33	20.8 Å²	20.8	23%	0.231	10%	0.102	C	C	.	.			trans	-78.2	-178.8	167.7	80.4	0	0	0	0	111.3	L785 Q786 R787	S783-L785 PolarHBondContact O-N 3.05Å; S783-L785 VanDerWaalsContact O-N 3.09Å; S783-L785 PolarHBondContact OG-N 2.75Å; S783-Q786 VanDerWaalsContact CB-OE1 3.25Å; S783-Q786 PolarHBondContact O-N 3.47Å; S783-Q786 PolarHBondContact O-OE1 3.32Å; S783-Q786 PolarHBondContact OG-OE1 2.99Å; S783-R787 WeakPolarHBondContact O-CG 3.49Å; S783-R787 PolarHBondContact O-N 3.42Å; S783-R787 VanDerWaalsContact O-N 3.12Å
784	F	93.4	Very high	94.1	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-43.4	-44.3	173.9	-78.4	-97.4	0	0	0	113	Q753 A788 S812 M837 F838 Y854	Q753-F784 HydrophobicContact CG-CE2 3.9Å; Q753-F784 VanDerWaalsContact NE2-CE2 3.26Å; F784-A788 WeakPolarHBondContact O-CB 3.43Å; F784-A788 PolarHBondContact O-N 3.04Å; F784-S812 WeakPolarHBondContact CB-O 3.42Å; F784-M837 HydrophobicContact CD1-CG 3.75Å; F784-M837 HydrophobicContact CD2-CE 3.94Å; F784-M837 HydrophobicContact CD2-CG 4Å; F784-M837 HydrophobicContact CD2-SD 4.02Å; F784-M837 HydrophobicContact CE1-CB 4.25Å; F784-M837 HydrophobicContact CE1-CG 3.52Å; F784-M837 HydrophobicContact CE2-CB 4.45Å; F784-M837 HydrophobicContact CE2-CE 3.75Å; F784-M837 HydrophobicContact CE2-CG 3.75Å; F784-M837 HydrophobicContact CE2-SD 4.15Å; F784-M837 HydrophobicContact CG-CG 3.97Å; F784-M837 HydrophobicContact CG-SD 4.19Å; F784-M837 HydrophobicContact CZ-CB 3.98Å; F784-M837 HydrophobicContact CZ-CE 4.39Å; F784-M837 HydrophobicContact CZ-CG 3.48Å; F784-M837 VanDerWaalsContact CZ-CG 3.48Å; F784-M837 HydrophobicContact CZ-SD 4.48Å; F784-F838 HydrophobicContact CZ-CE2 4.23Å; F784-F838 AromaticContact CZ-CZ 3.91Å; F784-F838 HydrophobicContact CZ-CZ 3.91Å; F784-Y854 HydrophobicContact CD1-CE1 4.26Å; F784-Y854 HydrophobicContact CE1-CD1 4.44Å; F784-Y854 HydrophobicContact CE1-CD2 4.2Å; F784-Y854 HydrophobicContact CE1-CE1 4.01Å; F784-Y854 AromaticContact CE1-CE2 3.7Å; F784-Y854 HydrophobicContact CE1-CE2 3.7Å; F784-Y854 AromaticContact CE1-CZ 3.61Å; F784-Y854 HydrophobicContact CZ-CE2 4.42Å
785	L	93.2	Very high	94.3	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.052	10%	0.102	C	C	.	.	H	α-helix	trans	-70.1	-49.7	-177.5	176.6	66.8	0	0	0	114	F618 D636 F664 S783 R787 A788 L789 S812	F618-L785 HydrophobicContact CE1-CD1 4.18Å; F618-L785 HydrophobicContact CZ-CD1 4.19Å; D636-L785 WeakPolarHBondContact OD2-CD2 3.4Å; F664-L785 HydrophobicContact CD2-CD2 4.03Å; F664-L785 HydrophobicContact CE2-CD2 3.95Å; S783-L785 PolarHBondContact O-N 3.05Å; S783-L785 VanDerWaalsContact O-N 3.09Å; S783-L785 PolarHBondContact OG-N 2.75Å; L785-R787 VanDerWaalsContact C-N 3.27Å; L785-R787 PolarHBondContact O-N 3Å; L785-A788 PolarHBondContact O-N 3.09Å; L785-L789 WeakPolarHBondContact O-CB 3.41Å; L785-L789 PolarHBondContact O-N 3.25Å; L785-S812 WeakPolarHBondContact CD1-OG 3.38Å
786	Q	94.4	Very high	94.3	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-41.5	-178.9	-66.2	83.6	8.7	0	0	110.3	F664 Y744 I779 S783 L789 V790	F664-Q786 VanDerWaalsContact CE2-NE2 3.33Å; Y744-Q786 HydrophobicContact CE1-CB 4.33Å; Y744-Q786 HydrophobicContact CE2-CB 4.3Å; I779-Q786 HydrophobicContact CD1-CG 3.74Å; S783-Q786 VanDerWaalsContact CB-OE1 3.25Å; S783-Q786 PolarHBondContact O-N 3.47Å; S783-Q786 PolarHBondContact O-OE1 3.32Å; S783-Q786 PolarHBondContact OG-OE1 2.99Å; Q786-L789 PolarHBondContact O-N 3.13Å; Q786-V790 WeakPolarHBondContact O-CB 3.46Å; Q786-V790 WeakPolarHBondContact O-CG2 3.14Å; Q786-V790 PolarHBondContact O-N 3.45Å
787	R	96.1	Very high	94.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-47.6	176.7	-63	-170.4	-170.2	-147.9	-11.8	111.3	V740 Y744 G746 G782 S783 L785 L789 V790 F791 L836 M837	V740-R787 HydrophobicContact CG1-CB 4.04Å; V740-R787 HydrophobicContact CG1-CG 4.46Å; V740-R787 WeakPolarHBondContact CG1-O 3.45Å; Y744-R787 HydrophobicContact CD2-CG 3.83Å; Y744-R787 HydrophobicContact CG-CG 4.29Å; Y744-R787 PolarHBondContact O-NH2 3.45Å; Y744-R787 VanDerWaalsContact O-NH2 3.1Å; G746-R787 VanDerWaalsContact O-CZ 3.31Å; G746-R787 PolarHBondContact O-NH1 3.28Å; G746-R787 PolarHBondContact O-NH2 3.38Å; G782-R787 PolarHBondContact O-NE 3.29Å; S783-R787 WeakPolarHBondContact O-CG 3.49Å; S783-R787 PolarHBondContact O-N 3.42Å; S783-R787 VanDerWaalsContact O-N 3.12Å; L785-R787 VanDerWaalsContact C-N 3.27Å; L785-R787 PolarHBondContact O-N 3Å; R787-L789 VanDerWaalsContact C-N 3.34Å; R787-L789 PolarHBondContact O-N 3.26Å; R787-V790 PolarHBondContact O-N 3.12Å; R787-F791 VanDerWaalsContact O-CB 3.29Å; R787-F791 WeakPolarHBondContact O-CB 3.29Å; R787-F791 PolarHBondContact O-N 3.45Å; R787-L836 HydrophobicContact CB-CB 4.06Å; R787-L836 HydrophobicContact CB-CD1 4.17Å; R787-L836 WeakPolarHBondContact CD-O 3.32Å; R787-L836 PolarHBondContact NH1-O 3.19Å; R787-M837 VanDerWaalsContact CD-SD 3.5Å; R787-M837 HydrophobicContact CG-SD 4.46Å
788	A	97	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-37.1	-179.8	0	0	0	0	0	113.2	F784 L785 K792 L804 N814 L836	F784-A788 WeakPolarHBondContact O-CB 3.43Å; F784-A788 PolarHBondContact O-N 3.04Å; L785-A788 PolarHBondContact O-N 3.09Å; A788-K792 WeakPolarHBondContact O-CB 3.42Å; A788-K792 PolarHBondContact O-N 3.08Å; A788-L804 HydrophobicContact CB-CD1 3.64Å; A788-N814 WeakPolarHBondContact CA-OD1 3.34Å; A788-N814 VanDerWaalsContact CB-OD1 3.25Å; A788-N814 WeakPolarHBondContact CB-OD1 3.3Å; A788-N814 PolarHBondContact O-ND2 2.96Å; A788-N814 PolarHBondContact O-OD1 3.38Å; A788-L836 HydrophobicContact CB-CD1 4.35Å
789	L	96.8	Very high	94.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-46.9	177.1	-178.5	65.4	0	0	0	111.6	I630 F634 I666 V776 L785 Q786 R787 K792 L793 L804	I630-L789 HydrophobicContact CD1-CD1 3.69Å; F634-L789 HydrophobicContact CD1-CD1 4.19Å; F634-L789 HydrophobicContact CE1-CD1 3.74Å; I666-L789 HydrophobicContact CD1-CD1 4.13Å; I666-L789 HydrophobicContact CD1-CD2 4.07Å; I666-L789 HydrophobicContact CD1-CG 3.93Å; V776-L789 HydrophobicContact CG1-CD2 4.18Å; L785-L789 WeakPolarHBondContact O-CB 3.41Å; L785-L789 PolarHBondContact O-N 3.25Å; Q786-L789 PolarHBondContact O-N 3.13Å; R787-L789 VanDerWaalsContact C-N 3.34Å; R787-L789 PolarHBondContact O-N 3.26Å; L789-K792 PolarHBondContact O-N 3.42Å; L789-L793 PolarHBondContact O-N 2.64Å; L789-L804 HydrophobicContact CD1-CD2 3.76Å
790	V	97.3	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-39.4	176.5	173.8	0	0	0	0	111.1	L712 V740 Y744 V776 Q786 R787 K792 L793 L794	L712-V790 HydrophobicContact CD1-CG1 4.19Å; L712-V790 HydrophobicContact CD1-CG2 4.06Å; V740-V790 HydrophobicContact CG1-CB 4.5Å; V740-V790 HydrophobicContact CG1-CG1 4.5Å; V740-V790 HydrophobicContact CG2-CG1 4.28Å; Y744-V790 HydrophobicContact CE2-CB 4.13Å; Y744-V790 HydrophobicContact CE2-CG2 3.81Å; Y744-V790 VanDerWaalsContact OH-CG2 3.32Å; Y744-V790 WeakPolarHBondContact OH-CG2 3.31Å; V776-V790 HydrophobicContact CG2-CG2 4.19Å; Q786-V790 WeakPolarHBondContact O-CB 3.46Å; Q786-V790 WeakPolarHBondContact O-CG2 3.14Å; Q786-V790 PolarHBondContact O-N 3.45Å; R787-V790 PolarHBondContact O-N 3.12Å; V790-K792 PolarHBondContact O-N 3.23Å; V790-L793 PolarHBondContact O-N 3.16Å; V790-L794 HydrophobicContact CG1-CD1 3.86Å; V790-L794 HydrophobicContact CG1-CG 4.06Å; V790-L794 WeakPolarHBondContact O-CB 3.4Å; V790-L794 VanDerWaalsContact O-CG 3.27Å; V790-L794 WeakPolarHBondContact O-CG 3.4Å; V790-L794 PolarHBondContact O-N 3.35Å
791	F	98	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-48.5	173.8	-176.8	-86.9	0	0	0	111.4	I733 L736 V740 R787 L794 A795 L800 T802 N814 V834 L836	I733-F791 HydrophobicContact CG2-CZ 4.23Å; L736-F791 HydrophobicContact CB-CD2 4.42Å; L736-F791 HydrophobicContact CB-CE2 3.88Å; L736-F791 HydrophobicContact CD2-CD2 3.86Å; L736-F791 HydrophobicContact CD2-CE1 4.4Å; L736-F791 HydrophobicContact CD2-CE2 3.58Å; L736-F791 HydrophobicContact CD2-CG 4.4Å; L736-F791 HydrophobicContact CD2-CZ 3.87Å; L736-F791 HydrophobicContact CG-CD2 3.72Å; L736-F791 HydrophobicContact CG-CE2 3.58Å; L736-F791 HydrophobicContact CG-CZ 4.36Å; V740-F791 HydrophobicContact CG1-CB 4.47Å; V740-F791 HydrophobicContact CG2-CB 4.13Å; V740-F791 HydrophobicContact CG2-CD2 4.21Å; R787-F791 VanDerWaalsContact O-CB 3.29Å; R787-F791 WeakPolarHBondContact O-CB 3.29Å; R787-F791 PolarHBondContact O-N 3.45Å; F791-L794 PolarHBondContact O-N 3.07Å; F791-A795 HydrophobicContact CE1-CB 4.46Å; F791-A795 WeakPolarHBondContact O-CB 3.39Å; F791-A795 PolarHBondContact O-N 2.86Å; F791-L800 HydrophobicContact CZ-CD2 4.22Å; F791-T802 HydrophobicContact CD1-CG2 4.24Å; F791-T802 HydrophobicContact CE1-CG2 4.08Å; F791-N814 HydrophobicContact CD1-CB 3.8Å; F791-N814 HydrophobicContact CE1-CB 4.05Å; F791-V834 HydrophobicContact CE1-CG2 4.28Å; F791-V834 HydrophobicContact CE2-CG1 4.02Å; F791-V834 HydrophobicContact CZ-CB 4.39Å; F791-V834 HydrophobicContact CZ-CG1 4.08Å; F791-V834 HydrophobicContact CZ-CG2 4.01Å; F791-L836 HydrophobicContact CB-CD1 3.73Å; F791-L836 HydrophobicContact CB-CD2 4.41Å; F791-L836 HydrophobicContact CD2-CD1 4.36Å; F791-L836 HydrophobicContact CD2-CD2 3.61Å; F791-L836 HydrophobicContact CE2-CD2 4.15Å; F791-L836 HydrophobicContact CG-CD1 4.07Å; F791-L836 HydrophobicContact CG-CD2 4.16Å
792	K	97.6	Very high	94.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-49.8	175.7	175.8	60.8	179.4	160.9	0	111.9	D625 D628 I630 A788 L789 V790 L794 A795 D796 T802 L804	D625-K792 PolarHBondContact O-NZ 3.5Å; D628-K792 WeakPolarHBondContact O-CE 3.42Å; D628-K792 PolarHBondContact O-NZ 3.27Å; I630-K792 HydrophobicContact CD1-CB 3.97Å; I630-K792 HydrophobicContact CD1-CG 3.48Å; I630-K792 VanDerWaalsContact CD1-CG 3.48Å; I630-K792 HydrophobicContact CG1-CG 3.94Å; A788-K792 WeakPolarHBondContact O-CB 3.42Å; A788-K792 PolarHBondContact O-N 3.08Å; L789-K792 PolarHBondContact O-N 3.42Å; V790-K792 PolarHBondContact O-N 3.23Å; K792-L794 PolarHBondContact O-N 3.19Å; K792-A795 PolarHBondContact O-N 3.13Å; K792-D796 WeakPolarHBondContact CE-OD1 3.32Å; K792-D796 VanDerWaalsContact CE-OD2 3.31Å; K792-D796 WeakPolarHBondContact CE-OD2 3.28Å; K792-D796 IonicContact NZ-OD1 3.73Å; K792-D796 PolarHBondContact NZ-OD1 3.03Å; K792-D796 IonicContact NZ-OD2 3.41Å; K792-D796 PolarHBondContact O-N 3.19Å; K792-T802 HydrophobicContact CB-CG2 4.48Å; K792-T802 HydrophobicContact CD-CG2 3.56Å; K792-T802 WeakPolarHBondContact CD-O 3.29Å; K792-T802 WeakPolarHBondContact CE-O 3.39Å; K792-T802 PolarHBondContact NZ-O 2.86Å; K792-L804 HydrophobicContact CB-CB 4.19Å; K792-L804 HydrophobicContact CG-CB 4.04Å
793	L	97.4	Very high	95.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-48.5	179.2	173.8	70.1	0	0	0	112	I630 I666 L668 L712 L789 V790 R797	I630-L793 HydrophobicContact CB-CD1 4.05Å; I630-L793 HydrophobicContact CD1-CB 4.38Å; I630-L793 HydrophobicContact CG2-CD1 3.79Å; I666-L793 HydrophobicContact CD1-CD2 4.09Å; I666-L793 HydrophobicContact CG1-CD2 4.44Å; I666-L793 HydrophobicContact CG2-CD1 4.33Å; I666-L793 HydrophobicContact CG2-CD2 4Å; L668-L793 HydrophobicContact CD1-CD1 4.38Å; L668-L793 HydrophobicContact CD1-CD2 4.25Å; L712-L793 HydrophobicContact CD1-CD2 4.04Å; L712-L793 HydrophobicContact CD2-CD2 3.73Å; L712-L793 HydrophobicContact CG-CD2 4.07Å; L789-L793 PolarHBondContact O-N 2.64Å; V790-L793 PolarHBondContact O-N 3.16Å; L793-R797 WeakPolarHBondContact O-CG 3.18Å; L793-R797 PolarHBondContact O-N 3.41Å
794	L	97.1	Very high	95.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69	-41.6	-179	-65.3	-176.7	0	0	0	111.4	L716 A719 L736 F739 V740 V790 F791 K792 D796 R797 I798	L716-L794 HydrophobicContact CB-CD2 3.91Å; L716-L794 HydrophobicContact CD1-CD2 3.61Å; L716-L794 HydrophobicContact CG-CD2 4.39Å; A719-L794 HydrophobicContact CB-CD1 4.05Å; A719-L794 HydrophobicContact CB-CD2 4.14Å; L736-L794 HydrophobicContact CD1-CB 3.76Å; L736-L794 HydrophobicContact CD1-CD1 3.97Å; F739-L794 HydrophobicContact CD1-CD1 3.9Å; F739-L794 HydrophobicContact CE1-CD1 3.87Å; V740-L794 HydrophobicContact CG2-CD1 3.93Å; V790-L794 HydrophobicContact CG1-CD1 3.86Å; V790-L794 HydrophobicContact CG1-CG 4.06Å; V790-L794 WeakPolarHBondContact O-CB 3.4Å; V790-L794 VanDerWaalsContact O-CG 3.27Å; V790-L794 WeakPolarHBondContact O-CG 3.4Å; V790-L794 PolarHBondContact O-N 3.35Å; F791-L794 PolarHBondContact O-N 3.07Å; K792-L794 PolarHBondContact O-N 3.19Å; L794-D796 VanDerWaalsContact C-N 3.32Å; L794-D796 PolarHBondContact O-N 3.38Å; L794-R797 PolarHBondContact O-N 3.04Å; L794-R797 VanDerWaalsContact O-N 3.14Å; L794-I798 PolarHBondContact O-N 3.31Å; L794-I798 VanDerWaalsContact O-N 3.1Å
795	A	96.6	Very high	95.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57	-45.2	175.6	0	0	0	0	0	111.5	L736 F791 K792 R797 I798 G799 L800 T802	L736-A795 HydrophobicContact CD2-CB 3.87Å; F791-A795 HydrophobicContact CE1-CB 4.46Å; F791-A795 WeakPolarHBondContact O-CB 3.39Å; F791-A795 PolarHBondContact O-N 2.86Å; K792-A795 PolarHBondContact O-N 3.13Å; A795-R797 VanDerWaalsContact C-N 3.26Å; A795-R797 PolarHBondContact O-N 3.33Å; A795-I798 WeakPolarHBondContact O-CG1 3.44Å; A795-I798 PolarHBondContact O-N 3.44Å; A795-G799 PolarHBondContact O-N 2.99Å; A795-L800 HydrophobicContact CB-CB 4Å; A795-L800 HydrophobicContact CB-CD2 4.08Å; A795-L800 HydrophobicContact CB-CG 4.28Å; A795-L800 PolarHBondContact O-N 3.43Å; A795-T802 HydrophobicContact CB-CG2 3.4Å; A795-T802 VanDerWaalsContact CB-CG2 3.4Å
796	D	95.6	Very high	95.7	Very high	13 Å²	13	16 Å²	16	7%	0.07	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-36.3	177.2	-67.2	-17.9	0	0	0	112.2	H629 I630 K792 L794	H629-D796 WeakPolarHBondContact CA-OD2 3.48Å; H629-D796 HydrophobicContact CB-CB 4.48Å; I630-D796 PolarHBondContact N-OD2 2.72Å; K792-D796 WeakPolarHBondContact CE-OD1 3.32Å; K792-D796 VanDerWaalsContact CE-OD2 3.31Å; K792-D796 WeakPolarHBondContact CE-OD2 3.28Å; K792-D796 IonicContact NZ-OD1 3.73Å; K792-D796 PolarHBondContact NZ-OD1 3.03Å; K792-D796 IonicContact NZ-OD2 3.41Å; K792-D796 PolarHBondContact O-N 3.19Å; L794-D796 VanDerWaalsContact C-N 3.32Å; L794-D796 PolarHBondContact O-N 3.38Å
797	R	94.2	Very high	95.4	Very high	74 Å²	74	16.6 Å²	16.6	28%	0.279	10%	0.102	S	C	.	.	H	α-helix	trans	-77.9	-27.5	-178.8	-63.2	-68.3	-175.9	-69	1.7	113.4	I630 D632 L716 V720 L793 L794 A795	I630-R797 VanDerWaalsContact O-CZ 3.25Å; I630-R797 PolarHBondContact O-NH1 3.16Å; I630-R797 PolarHBondContact O-NH2 3.39Å; D632-R797 IonicContact OD1-CZ 3.97Å; D632-R797 IonicContact OD1-NE 3.93Å; D632-R797 IonicContact OD1-NH2 3.83Å; D632-R797 PolarHBondContact OD1-NH2 2.78Å; L716-R797 HydrophobicContact CD1-CB 3.56Å; L716-R797 HydrophobicContact CD1-CG 3.54Å; L716-R797 HydrophobicContact CD2-CG 4.29Å; V720-R797 HydrophobicContact CG2-CB 4.45Å; L793-R797 WeakPolarHBondContact O-CG 3.18Å; L793-R797 PolarHBondContact O-N 3.41Å; L794-R797 PolarHBondContact O-N 3.04Å; L794-R797 VanDerWaalsContact O-N 3.14Å; A795-R797 VanDerWaalsContact C-N 3.26Å; A795-R797 PolarHBondContact O-N 3.33Å
798	I	93.5	Very high	94.9	Very high	19 Å²	19	20 Å²	20	10%	0.097	12%	0.123	C	C	.	.	H	α-helix	trans	-92.5	-4.1	175.4	69.7	172.8	0	0	0	113	V720 I723 T724 Q732 L736 L794 A795 L800	V720-I798 HydrophobicContact CG2-CG2 4.14Å; I723-I798 HydrophobicContact CG2-CD1 3.77Å; T724-I798 VanDerWaalsContact OG1-CG2 3.31Å; T724-I798 WeakPolarHBondContact OG1-CG2 3.28Å; Q732-I798 HydrophobicContact CG-CD1 4.21Å; L736-I798 HydrophobicContact CD2-CD1 4.06Å; L794-I798 PolarHBondContact O-N 3.31Å; L794-I798 VanDerWaalsContact O-N 3.1Å; A795-I798 WeakPolarHBondContact O-CG1 3.44Å; A795-I798 PolarHBondContact O-N 3.44Å; I798-L800 HydrophobicContact CD1-CB 4.11Å; I798-L800 HydrophobicContact CG1-CB 3.94Å
799	G	91.3	Very high	94.3	Very high	59 Å²	59	27.3 Å²	27.3	61%	0.608	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	23.5	179.8	0	0	0	0	0	114.7	A795 P801	A795-G799 PolarHBondContact O-N 2.99Å; G799-P801 WeakPolarHBondContact O-CD 3.22Å
800	L	92.8	Very high	93.7	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	18%	0.179	C	C	.	.			trans	-89.8	112.9	176.6	176.1	68	0	0	0	110.2	L729 I733 L736 F791 A795 I798 T802	L729-L800 HydrophobicContact CD1-CD1 3.37Å; I733-L800 HydrophobicContact CD1-CD1 4.33Å; I733-L800 HydrophobicContact CG1-CD1 3.77Å; I733-L800 HydrophobicContact CG1-CD2 3.82Å; I733-L800 HydrophobicContact CG1-CG 4.41Å; L736-L800 HydrophobicContact CD2-CD2 3.89Å; F791-L800 HydrophobicContact CZ-CD2 4.22Å; A795-L800 HydrophobicContact CB-CB 4Å; A795-L800 HydrophobicContact CB-CD2 4.08Å; A795-L800 HydrophobicContact CB-CG 4.28Å; A795-L800 PolarHBondContact O-N 3.43Å; I798-L800 HydrophobicContact CD1-CB 4.11Å; I798-L800 HydrophobicContact CG1-CB 3.94Å; L800-T802 PolarHBondContact O-N 2.73Å; L800-T802 VanDerWaalsContact O-N 3.17Å
801	P	92	Very high	93.4	Very high	72 Å²	72	30.6 Å²	30.6	47%	0.468	18%	0.182	S	C	.	.			trans	-69.3	115.3	179.7	-17.8	32.1	0	0	0	111.1	F626 G799	F626-P801 HydrophobicContact CB-CB 4.45Å; F626-P801 HydrophobicContact CD1-CB 4.4Å; G799-P801 WeakPolarHBondContact O-CD 3.22Å
802	T	95.9	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-142.1	148.9	176.1	-172.3	0	0	0	0	110	F791 K792 A795 L800 N814 E815	F791-T802 HydrophobicContact CD1-CG2 4.24Å; F791-T802 HydrophobicContact CE1-CG2 4.08Å; K792-T802 HydrophobicContact CB-CG2 4.48Å; K792-T802 HydrophobicContact CD-CG2 3.56Å; K792-T802 WeakPolarHBondContact CD-O 3.29Å; K792-T802 WeakPolarHBondContact CE-O 3.39Å; K792-T802 PolarHBondContact NZ-O 2.86Å; A795-T802 HydrophobicContact CB-CG2 3.4Å; A795-T802 VanDerWaalsContact CB-CG2 3.4Å; L800-T802 PolarHBondContact O-N 2.73Å; L800-T802 VanDerWaalsContact O-N 3.17Å; T802-N814 WeakPolarHBondContact OG1-CB 3.42Å; T802-E815 WeakPolarHBondContact CA-O 3.37Å; T802-E815 PolarHBondContact OG1-O 3.31Å; T802-E815 VanDerWaalsContact OG1-O 3.08Å
803	N	97.1	Very high	93.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	19%	0.186	C	C	.	.			trans	-90.8	172.9	169.8	69.4	22.3	0	0	0	110.7	Y623 L624 F626 N814 E815	Y623-N803 HydrophobicContact CE2-CB 4.1Å; L624-N803 CarbonylContact O-C 3.56Å; L624-N803 WeakPolarHBondContact O-CA 3.36Å; L624-N803 VanDerWaalsContact O-CB 3.28Å; L624-N803 WeakPolarHBondContact O-CB 3.38Å; F626-N803 HydrophobicContact CD1-CB 4.43Å; F626-N803 HydrophobicContact CD2-CB 4.48Å; F626-N803 HydrophobicContact CE1-CB 4.21Å; F626-N803 HydrophobicContact CE2-CB 4.26Å; F626-N803 HydrophobicContact CZ-CB 4.11Å; N803-N814 WeakPolarHBondContact O-CB 3.3Å; N803-N814 PolarHBondContact O-ND2 3.1Å; N803-E815 PolarHBondContact N-O 3.23Å; N803-E815 VanDerWaalsContact N-O 3.12Å; N803-E815 PolarHBondContact ND2-OE2 2.84Å; N803-E815 WeakPolarHBondContact OD1-CB 3.5Å; N803-E815 PolarHBondContact OD1-N 2.76Å
804	L	97.8	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.5	168.2	173.9	64.6	0	0	0	108.7	F618 Y623 L624 A788 L789 K792	F618-L804 HydrophobicContact CD1-CD2 4.38Å; F618-L804 HydrophobicContact CD2-CD2 4.17Å; F618-L804 HydrophobicContact CD2-CG 4.37Å; F618-L804 HydrophobicContact CE1-CD2 3.88Å; F618-L804 HydrophobicContact CE2-CB 4.47Å; F618-L804 HydrophobicContact CE2-CD2 3.68Å; F618-L804 HydrophobicContact CE2-CG 3.58Å; F618-L804 HydrophobicContact CZ-CD1 4.34Å; F618-L804 HydrophobicContact CZ-CD2 3.51Å; F618-L804 HydrophobicContact CZ-CG 3.66Å; Y623-L804 WeakPolarHBondContact CA-O 3.5Å; L624-L804 HydrophobicContact CB-CB 4.2Å; L624-L804 HydrophobicContact CD1-CD2 4.16Å; L624-L804 PolarHBondContact N-O 2.89Å; L624-L804 PolarHBondContact O-N 3.44Å; A788-L804 HydrophobicContact CB-CD1 3.64Å; L789-L804 HydrophobicContact CD1-CD2 3.76Å; K792-L804 HydrophobicContact CB-CB 4.19Å; K792-L804 HydrophobicContact CG-CB 4.04Å
805	I	97	Very high	93.1	Very high	31 Å²	31	32.9 Å²	32.9	16%	0.159	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.9	-175.3	-49.5	-173.3	0	0	0	109.5	G622 Y623 S812 F813 E815	G622-I805 CarbonylContact O-C 3.14Å; Y623-I805 HydrophobicContact CD2-CD1 4.38Å; Y623-I805 HydrophobicContact CD2-CG1 3.91Å; Y623-I805 HydrophobicContact CE2-CD1 4.22Å; Y623-I805 HydrophobicContact CE2-CG1 4.07Å; I805-S812 CarbonylContact O-C 3.57Å; I805-S812 WeakPolarHBondContact O-CA 3.47Å; I805-S812 WeakPolarHBondContact O-CB 3.25Å; I805-F813 HydrophobicContact CB-CD1 4.37Å; I805-F813 HydrophobicContact CB-CD2 4.23Å; I805-F813 HydrophobicContact CB-CE1 4.05Å; I805-F813 HydrophobicContact CB-CE2 3.92Å; I805-F813 HydrophobicContact CB-CG 4.46Å; I805-F813 HydrophobicContact CB-CZ 3.82Å; I805-F813 HydrophobicContact CD1-CD2 4.34Å; I805-F813 HydrophobicContact CD1-CE2 3.61Å; I805-F813 HydrophobicContact CD1-CZ 3.99Å; I805-F813 HydrophobicContact CG1-CE2 4.16Å; I805-F813 HydrophobicContact CG1-CZ 4.43Å; I805-F813 HydrophobicContact CG2-CE1 3.85Å; I805-F813 HydrophobicContact CG2-CE2 4.21Å; I805-F813 HydrophobicContact CG2-CZ 3.63Å; I805-F813 PolarHBondContact N-O 3.36Å; I805-F813 PolarHBondContact O-N 2.83Å; I805-E815 HydrophobicContact CD1-CG 4.12Å; I805-E815 WeakPolarHBondContact CD1-OE2 3.3Å
806	R	93.8	Very high	93.1	Very high	46 Å²	46	33 Å²	33	17%	0.174	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	96	164.6	-171.2	-176.3	-60.6	-75.2	3.2	108.5	F618 G622 D636	F618-R806 HydrophobicContact CE2-CB 4.28Å; F618-R806 HydrophobicContact CZ-CB 4.25Å; G622-R806 WeakPolarHBondContact O-CB 3.35Å; G622-R806 PolarHBondContact O-N 3.4Å; D636-R806 IonicContact OD1-CZ 3.46Å; D636-R806 IonicContact OD1-NH2 3.17Å; D636-R806 PolarHBondContact OD1-NH2 3.43Å; D636-R806 IonicContact OD2-CZ 3.51Å; D636-R806 IonicContact OD2-NH1 2.71Å; D636-R806 IonicContact OD2-NH2 2.87Å; D636-R806 PolarHBondContact OD2-NH2 3.05Å
807	G	89.1	Confident	92.9	Very high	24 Å²	24	35.1 Å²	35.1	25%	0.247	20%	0.204	C	C	.	.			trans	-76.1	-166.6	172.7	0	0	0	0	0	112.9	R811	G807-R811 CarbonylContact C-O 3.43Å; G807-R811 WeakPolarHBondContact CA-O 3.42Å; G807-R811 PolarHBondContact N-O 3.39Å
808	T	85.8	Confident	92.6	Very high	73 Å²	73	32 Å²	32	45%	0.448	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-82.2	159.1	-177.4	58.9	0	0	0	0	112.7	G810 R811 S856	T808-G810 PolarHBondContact O-N 3.39Å; T808-R811 WeakPolarHBondContact O-CB 3.4Å; T808-R811 WeakPolarHBondContact O-CG 3.33Å; T808-R811 PolarHBondContact O-N 3.46Å; T808-S856 PolarHBondContact OG1-OG 2.91Å
809	Y	83.5	Confident	91.9	Very high	155 Å²	155	36.2 Å²	36.2	61%	0.608	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	53.9	31.2	173.2	-50.6	-77.3	0	0	0	115.4	R811 I857 A858	Y809-R811 VanDerWaalsContact C-N 3.35Å; Y809-I857 HydrophobicContact CD2-CB 3.97Å; Y809-I857 HydrophobicContact CD2-CG1 4.44Å; Y809-I857 HydrophobicContact CG-CB 4.07Å; Y809-I857 HydrophobicContact CG-CD1 4.31Å; Y809-I857 HydrophobicContact CG-CG1 4.26Å; Y809-A858 HydrophobicContact CE2-CB 3.88Å
810	G	84.4	Confident	90.9	Very high	54 Å²	54	35 Å²	35	56%	0.557	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	80.3	11	179.6	0	0	0	0	0	114.8	T808 S812	T808-G810 PolarHBondContact O-N 3.39Å; G810-S812 PolarHBondContact O-N 3.47Å
811	R	89.9	Confident	89.6	Confident	16 Å²	16	42.2 Å²	42.2	6%	0.06	23%	0.227	C	C	.	.			trans	-86.3	96.7	174.7	-59.9	-63.1	-172.6	123.6	-0.2	110.4	Q753 G807 T808 Y809 Y854 T855 I857	Q753-R811 VanDerWaalsContact CD-NH2 3.29Å; Q753-R811 VanDerWaalsContact NE2-NE 3.14Å; G807-R811 CarbonylContact C-O 3.43Å; G807-R811 WeakPolarHBondContact CA-O 3.42Å; G807-R811 PolarHBondContact N-O 3.39Å; T808-R811 WeakPolarHBondContact O-CB 3.4Å; T808-R811 WeakPolarHBondContact O-CG 3.33Å; T808-R811 PolarHBondContact O-N 3.46Å; Y809-R811 VanDerWaalsContact C-N 3.35Å; R811-Y854 PolarHBondContact NH1-O 3.24Å; R811-T855 VanDerWaalsContact CB-O 3.25Å; R811-T855 WeakPolarHBondContact CB-O 3.27Å; R811-I857 HydrophobicContact CG-CG1 4.46Å
812	S	94.5	Very high	88.1	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.7	166.3	-72.7	0	0	0	0	110.7	F784 L785 I805 G810	F784-S812 WeakPolarHBondContact CB-O 3.42Å; L785-S812 WeakPolarHBondContact CD1-OG 3.38Å; I805-S812 CarbonylContact O-C 3.57Å; I805-S812 WeakPolarHBondContact O-CA 3.47Å; I805-S812 WeakPolarHBondContact O-CB 3.25Å; G810-S812 PolarHBondContact O-N 3.47Å
813	F	96.6	Very high	86.1	Confident	18 Å²	18	48.6 Å²	48.6	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	169.6	-173.3	59.9	-86.2	0	0	0	111.3	I805 E815 V833 Y854 T855	I805-F813 HydrophobicContact CB-CD1 4.37Å; I805-F813 HydrophobicContact CB-CD2 4.23Å; I805-F813 HydrophobicContact CB-CE1 4.05Å; I805-F813 HydrophobicContact CB-CE2 3.92Å; I805-F813 HydrophobicContact CB-CG 4.46Å; I805-F813 HydrophobicContact CB-CZ 3.82Å; I805-F813 HydrophobicContact CD1-CD2 4.34Å; I805-F813 HydrophobicContact CD1-CE2 3.61Å; I805-F813 HydrophobicContact CD1-CZ 3.99Å; I805-F813 HydrophobicContact CG1-CE2 4.16Å; I805-F813 HydrophobicContact CG1-CZ 4.43Å; I805-F813 HydrophobicContact CG2-CE1 3.85Å; I805-F813 HydrophobicContact CG2-CE2 4.21Å; I805-F813 HydrophobicContact CG2-CZ 3.63Å; I805-F813 PolarHBondContact N-O 3.36Å; I805-F813 PolarHBondContact O-N 2.83Å; F813-E815 HydrophobicContact CD2-CG 4.08Å; F813-E815 HydrophobicContact CE2-CG 3.97Å; F813-V833 HydrophobicContact CB-CG1 4.18Å; F813-V833 HydrophobicContact CD2-CG1 4.07Å; F813-V833 HydrophobicContact CD2-CG2 4.19Å; F813-V833 HydrophobicContact CE2-CG2 4.33Å; F813-V833 HydrophobicContact CG-CG1 4.42Å; F813-Y854 HydrophobicContact CB-CD1 4.34Å; F813-Y854 HydrophobicContact CB-CE1 3.82Å; F813-T855 HydrophobicContact CD1-CG2 3.66Å; F813-T855 HydrophobicContact CD2-CG2 3.74Å; F813-T855 HydrophobicContact CE1-CG2 3.58Å; F813-T855 HydrophobicContact CE2-CG2 3.63Å; F813-T855 HydrophobicContact CG-CG2 3.74Å; F813-T855 HydrophobicContact CZ-CG2 3.56Å
814	N	97.7	Very high	84.1	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.			trans	-123.2	142.5	176.5	-55.8	100.2	0	0	0	109	A788 F791 T802 N803 V833 V834 L836	A788-N814 WeakPolarHBondContact CA-OD1 3.34Å; A788-N814 VanDerWaalsContact CB-OD1 3.25Å; A788-N814 WeakPolarHBondContact CB-OD1 3.3Å; A788-N814 PolarHBondContact O-ND2 2.96Å; A788-N814 PolarHBondContact O-OD1 3.38Å; F791-N814 HydrophobicContact CD1-CB 3.8Å; F791-N814 HydrophobicContact CE1-CB 4.05Å; T802-N814 WeakPolarHBondContact OG1-CB 3.42Å; N803-N814 WeakPolarHBondContact O-CB 3.3Å; N803-N814 PolarHBondContact O-ND2 3.1Å; N814-V833 WeakPolarHBondContact O-CA 3.27Å; N814-V834 PolarHBondContact O-N 3.33Å; N814-L836 WeakPolarHBondContact OD1-CD1 3.39Å
815	E	96.6	Very high	82	Confident	29 Å²	29	61.7 Å²	61.7	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.8	169	-52.2	177.9	119.9	0	0	110.9	F626 T802 N803 I805 F813 L831 Y832 V833 S846	F626-E815 WeakPolarHBondContact CE1-O 3.48Å; T802-E815 WeakPolarHBondContact CA-O 3.37Å; T802-E815 PolarHBondContact OG1-O 3.31Å; T802-E815 VanDerWaalsContact OG1-O 3.08Å; N803-E815 PolarHBondContact N-O 3.23Å; N803-E815 VanDerWaalsContact N-O 3.12Å; N803-E815 PolarHBondContact ND2-OE2 2.84Å; N803-E815 WeakPolarHBondContact OD1-CB 3.5Å; N803-E815 PolarHBondContact OD1-N 2.76Å; I805-E815 HydrophobicContact CD1-CG 4.12Å; I805-E815 WeakPolarHBondContact CD1-OE2 3.3Å; F813-E815 HydrophobicContact CD2-CG 4.08Å; F813-E815 HydrophobicContact CE2-CG 3.97Å; E815-L831 HydrophobicContact CB-CD2 4.12Å; E815-Y832 CarbonylContact C-O 3.39Å; E815-Y832 WeakPolarHBondContact CA-O 3.4Å; E815-V833 HydrophobicContact CG-CG2 4.08Å; E815-S846 PolarHBondContact OE1-OG 3.45Å
816	V	95.5	Very high	80.1	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.3	178.1	-68.1	0	0	0	0	109.6	I733 I818 Y832 V834 L843	I733-V816 HydrophobicContact CD1-CB 4.18Å; I733-V816 HydrophobicContact CD1-CG1 4.37Å; I733-V816 HydrophobicContact CD1-CG2 3.91Å; I733-V816 HydrophobicContact CG1-CG1 4.42Å; V816-I818 HydrophobicContact CG2-CD1 4.01Å; V816-I818 HydrophobicContact CG2-CG1 4.18Å; V816-Y832 PolarHBondContact N-O 2.92Å; V816-Y832 PolarHBondContact O-N 3.15Å; V816-V834 HydrophobicContact CG1-CG2 3.95Å; V816-V834 HydrophobicContact CG2-CG2 3.9Å; V816-L843 HydrophobicContact CG2-CD2 3.73Å
817	L	91.3	Very high	78.4	Confident	58 Å²	58	72.2 Å²	72.2	30%	0.304	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.6	176.7	-72.4	168.6	0	0	0	109.8	F626 R829 L831	F626-L817 HydrophobicContact CD1-CD1 4.44Å; F626-L817 HydrophobicContact CE1-CD1 4.2Å; F626-L817 HydrophobicContact CE1-CG 4.02Å; F626-L817 HydrophobicContact CE2-CD1 4.3Å; F626-L817 HydrophobicContact CZ-CD1 4.14Å; F626-L817 HydrophobicContact CZ-CG 3.99Å; L817-R829 HydrophobicContact CB-CB 4.15Å; L817-R829 HydrophobicContact CD2-CB 4.08Å; L817-L831 HydrophobicContact CD2-CD2 3.49Å; L817-L831 VanDerWaalsContact CD2-CD2 3.49Å; L817-L831 HydrophobicContact CD2-CG 3.71Å; L817-L831 HydrophobicContact CG-CD2 4.07Å
818	I	87.8	Confident	77.3	Confident	7 Å²	7	79.2 Å²	79.2	4%	0.036	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.8	-178.5	-56.4	177.8	0	0	0	109.5	K730 I733 V816 D830 Y832 L843	K730-I818 HydrophobicContact CG-CD1 4.44Å; K730-I818 HydrophobicContact CG-CG2 4.41Å; I733-I818 HydrophobicContact CD1-CD1 3.97Å; I733-I818 HydrophobicContact CD1-CG1 4.29Å; V816-I818 HydrophobicContact CG2-CD1 4.01Å; V816-I818 HydrophobicContact CG2-CG1 4.18Å; I818-D830 PolarHBondContact N-O 3.35Å; I818-D830 PolarHBondContact O-N 2.97Å; I818-Y832 HydrophobicContact CB-CD2 3.85Å; I818-Y832 HydrophobicContact CB-CE2 3.86Å; I818-Y832 HydrophobicContact CD1-CD2 3.9Å; I818-Y832 HydrophobicContact CD1-CE2 4.44Å; I818-Y832 HydrophobicContact CD1-CG 4.16Å; I818-Y832 HydrophobicContact CG1-CD2 4.03Å; I818-L843 HydrophobicContact CD1-CD1 3.33Å; I818-L843 HydrophobicContact CD1-CD2 3.9Å; I818-L843 HydrophobicContact CD1-CG 4.18Å
819	E	80	Confident	76.9	Confident	108 Å²	108	82.9 Å²	82.9	51%	0.505	41%	0.408	S	S	.	.			trans	-72.8	130.9	176.1	-71.3	175.9	-168.9	0	0	110.5	R829	E819-R829 HydrophobicContact CG-CG 3.82Å; E819-R829 IonicContact OE1-CZ 2.82Å; E819-R829 IonicContact OE1-NE 3.95Å; E819-R829 PolarHBondContact OE1-NE 3.29Å; E819-R829 IonicContact OE1-NH2 3.11Å; E819-R829 PolarHBondContact OE1-NH2 3.26Å
820	P	69.5	Low	77	Confident	35 Å²	35	77.6 Å²	77.6	23%	0.227	39%	0.39	C	S	.	.			trans	-64.8	137.4	178.7	-10.7	20.9	0	0	0	111	N822 S823 Y828	P820-N822 PolarHBondContact O-N 3.27Å; P820-S823 WeakPolarHBondContact CB-OG 3.47Å; P820-S823 WeakPolarHBondContact CD-OG 3.47Å; P820-S823 VanDerWaalsContact CG-OG 3.31Å; P820-S823 WeakPolarHBondContact CG-OG 3.25Å; P820-S823 PolarHBondContact O-OG 3.37Å; P820-S823 VanDerWaalsContact O-OG 3.14Å; P820-Y828 WeakPolarHBondContact CD-O 3.47Å
821	E	65.6	Low	77.4	Confident	156 Å²	156	78.2 Å²	78.2	73%	0.729	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.8	-177.2	-68.3	177.7	173.9	0	0	114.3	K730	K730-E821 IonicContact NZ-OE1 3.77Å; K730-E821 PolarHBondContact NZ-OE1 3.34Å
822	N	60.6	Low	77.7	Confident	158 Å²	158	79.5 Å²	79.5	85%	0.845	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	10.9	-171.6	-77.8	-37.1	0	0	0	115.7	P820	P820-N822 PolarHBondContact O-N 3.27Å
823	S	53.1	Low	77.8	Confident	48 Å²	48	79.5 Å²	79.5	34%	0.336	39%	0.386	S	S	.	.			trans	-90.9	109.1	-177.7	31.3	0	0	0	0	112.6	P820 S825	P820-S823 WeakPolarHBondContact CB-OG 3.47Å; P820-S823 WeakPolarHBondContact CD-OG 3.47Å; P820-S823 VanDerWaalsContact CG-OG 3.31Å; P820-S823 WeakPolarHBondContact CG-OG 3.25Å; P820-S823 PolarHBondContact O-OG 3.37Å; P820-S823 VanDerWaalsContact O-OG 3.14Å; S823-S825 PolarHBondContact O-N 3.47Å; S823-S825 VanDerWaalsContact O-N 3.16Å
824	K	55.9	Low	77.8	Confident	220 Å²	220	78.6 Å²	78.6	96%	0.957	38%	0.382	S	S	*	.	S	Bend	trans	-65.2	-5.5	166.7	-70	-174.2	178.6	179.9	0	113.6
825	S	54.9	Low	77.8	Confident	56 Å²	56	78.9 Å²	78.9	39%	0.392	38%	0.383	S	S	.	.	S	Bend	trans	-105.9	116.8	170.8	94	0	0	0	0	109.2	S823 T827	S823-S825 PolarHBondContact O-N 3.47Å; S823-S825 VanDerWaalsContact O-N 3.16Å; S825-T827 PolarHBondContact O-N 3.31Å; S825-T827 PolarHBondContact OG-OG1 3.49Å; S825-T827 VanDerWaalsContact OG-OG1 3.12Å
826	Q	55.4	Low	77.7	Confident	193 Å²	193	77.5 Å²	77.5	90%	0.902	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	16.3	-179.8	-78.3	175.9	-25.8	0	0	114
827	T	58.5	Low	77.6	Confident	106 Å²	106	77.5 Å²	77.5	65%	0.65	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-13.3	-162.5	52.3	0	0	0	0	114.6	S825	S825-T827 PolarHBondContact O-N 3.31Å; S825-T827 PolarHBondContact OG-OG1 3.49Å; S825-T827 VanDerWaalsContact OG-OG1 3.12Å
828	Y	65.3	Low	77.7	Confident	171 Å²	171	76.4 Å²	76.4	67%	0.671	37%	0.37	S	S	*	.			trans	-119.5	122.4	-176.6	-68.7	-78.8	0	0	0	110.9	P820	P820-Y828 WeakPolarHBondContact CD-O 3.47Å
829	R	77.8	Confident	78	Confident	150 Å²	150	81 Å²	81	57%	0.566	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-103.7	135.1	169.1	-68.5	-176.1	176	172.6	-3	108.7	L817 E819	L817-R829 HydrophobicContact CB-CB 4.15Å; L817-R829 HydrophobicContact CD2-CB 4.08Å; E819-R829 HydrophobicContact CG-CG 3.82Å; E819-R829 IonicContact OE1-CZ 2.82Å; E819-R829 IonicContact OE1-NE 3.95Å; E819-R829 PolarHBondContact OE1-NE 3.29Å; E819-R829 IonicContact OE1-NH2 3.11Å; E819-R829 PolarHBondContact OE1-NH2 3.26Å
830	D	86.8	Confident	78.7	Confident	43 Å²	43	77 Å²	77	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.9	175.1	-84.2	-21.8	0	0	0	109.5	I818 Y832 K845	I818-D830 PolarHBondContact N-O 3.35Å; I818-D830 PolarHBondContact O-N 2.97Å; D830-Y832 HydrophobicContact CB-CD2 4.21Å; D830-Y832 HydrophobicContact CB-CE2 3.43Å; D830-Y832 VanDerWaalsContact CB-CE2 3.43Å; D830-Y832 WeakPolarHBondContact O-CD2 3.46Å; D830-K845 VanDerWaalsContact CG-NZ 3.34Å; D830-K845 IonicContact OD1-NZ 2.61Å; D830-K845 IonicContact OD2-NZ 2.78Å; D830-K845 PolarHBondContact OD2-NZ 3.47Å
831	L	92.9	Very high	79.9	Confident	68 Å²	68	75.5 Å²	75.5	36%	0.356	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.6	172.8	-78.5	159.9	0	0	0	110.4	F626 E815 L817 S846	F626-L831 HydrophobicContact CZ-CD2 3.76Å; E815-L831 HydrophobicContact CB-CD2 4.12Å; L817-L831 HydrophobicContact CD2-CD2 3.49Å; L817-L831 VanDerWaalsContact CD2-CD2 3.49Å; L817-L831 HydrophobicContact CD2-CG 3.71Å; L817-L831 HydrophobicContact CG-CD2 4.07Å; L831-S846 PolarHBondContact O-N 3.07Å; L831-S846 PolarHBondContact O-OG 2.95Å
832	Y	95.5	Very high	81.4	Confident	42 Å²	42	71.1 Å²	71.1	17%	0.165	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.3	175.5	-67.6	-100.3	0	0	0	110.1	E815 V816 I818 D830 L843 L844 K845	E815-Y832 CarbonylContact C-O 3.39Å; E815-Y832 WeakPolarHBondContact CA-O 3.4Å; V816-Y832 PolarHBondContact N-O 2.92Å; V816-Y832 PolarHBondContact O-N 3.15Å; I818-Y832 HydrophobicContact CB-CD2 3.85Å; I818-Y832 HydrophobicContact CB-CE2 3.86Å; I818-Y832 HydrophobicContact CD1-CD2 3.9Å; I818-Y832 HydrophobicContact CD1-CE2 4.44Å; I818-Y832 HydrophobicContact CD1-CG 4.16Å; I818-Y832 HydrophobicContact CG1-CD2 4.03Å; D830-Y832 HydrophobicContact CB-CD2 4.21Å; D830-Y832 HydrophobicContact CB-CE2 3.43Å; D830-Y832 VanDerWaalsContact CB-CE2 3.43Å; D830-Y832 WeakPolarHBondContact O-CD2 3.46Å; Y832-L843 HydrophobicContact CD1-CB 3.92Å; Y832-L843 HydrophobicContact CG-CB 4.35Å; Y832-L844 CarbonylContact C-O 3.59Å; Y832-L844 VanDerWaalsContact CA-O 3.3Å; Y832-L844 WeakPolarHBondContact CA-O 3.3Å; Y832-K845 VanDerWaalsContact CD1-CA 3.48Å; Y832-K845 HydrophobicContact CD1-CB 3.89Å; Y832-K845 HydrophobicContact CE1-CB 3.62Å; Y832-K845 HydrophobicContact CE1-CG 4.21Å
833	V	96.4	Very high	83	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.7	166.8	179.4	0	0	0	0	108.9	F813 N814 E815 L844 A851 Y854 T855	F813-V833 HydrophobicContact CB-CG1 4.18Å; F813-V833 HydrophobicContact CD2-CG1 4.07Å; F813-V833 HydrophobicContact CD2-CG2 4.19Å; F813-V833 HydrophobicContact CE2-CG2 4.33Å; F813-V833 HydrophobicContact CG-CG1 4.42Å; N814-V833 WeakPolarHBondContact O-CA 3.27Å; E815-V833 HydrophobicContact CG-CG2 4.08Å; V833-L844 HydrophobicContact CB-CB 4.3Å; V833-L844 PolarHBondContact N-O 3.18Å; V833-L844 PolarHBondContact O-N 2.9Å; V833-A851 HydrophobicContact CG2-CB 4.19Å; V833-Y854 HydrophobicContact CG1-CD1 3.58Å; V833-Y854 HydrophobicContact CG1-CE1 3.83Å; V833-Y854 HydrophobicContact CG1-CG 4.47Å; V833-T855 HydrophobicContact CG1-CG2 4.15Å; V833-T855 HydrophobicContact CG2-CG2 3.97Å
834	V	97.1	Very high	85	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.2	173.9	-171.9	0	0	0	0	109	I733 F791 N814 V816 L836 L843	I733-V834 HydrophobicContact CG2-CG1 4.13Å; I733-V834 HydrophobicContact CG2-CG2 3.83Å; F791-V834 HydrophobicContact CE1-CG2 4.28Å; F791-V834 HydrophobicContact CE2-CG1 4.02Å; F791-V834 HydrophobicContact CZ-CB 4.39Å; F791-V834 HydrophobicContact CZ-CG1 4.08Å; F791-V834 HydrophobicContact CZ-CG2 4.01Å; N814-V834 PolarHBondContact O-N 3.33Å; V816-V834 HydrophobicContact CG1-CG2 3.95Å; V816-V834 HydrophobicContact CG2-CG2 3.9Å; V834-L836 HydrophobicContact CG1-CD2 3.88Å; V834-L836 HydrophobicContact CG1-CG 4.38Å; V834-L836 PolarHBondContact O-N 2.87Å; V834-L843 HydrophobicContact CG2-CD2 4.14Å
835	D	96.5	Very high	86.7	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.027	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.8	120.2	170.8	-171.5	-22.4	0	0	0	108.8	M837 F838 E839 P840 G841 K842 L844 Y854	D835-M837 PolarHBondContact OD1-N 2.97Å; D835-F838 PolarHBondContact OD1-N 3.3Å; D835-E839 PolarHBondContact OD1-N 3.49Å; D835-E839 PolarHBondContact OD2-N 3.28Å; D835-E839 VanDerWaalsContact OD2-N 3.11Å; D835-P840 CarbonylContact O-C 3.48Å; D835-P840 VanDerWaalsContact O-CA 3.25Å; D835-P840 WeakPolarHBondContact O-CA 3.23Å; D835-G841 PolarHBondContact O-N 3.05Å; D835-K842 HydrophobicContact CB-CB 4.13Å; D835-K842 PolarHBondContact N-O 3.07Å; D835-L844 HydrophobicContact CB-CD1 4.37Å; D835-Y854 HydrophobicContact CB-CE2 4.12Å; D835-Y854 VanDerWaalsContact OD1-CE2 3.26Å; D835-Y854 WeakPolarHBondContact OD1-CE2 3.48Å
836	L	96	Very high	88.3	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	26%	0.261	C	S	.	.	S	Bend	trans	-113.8	1.7	177.3	-61.3	176.4	0	0	0	111.8	R787 A788 F791 N814 V834 Y854	R787-L836 HydrophobicContact CB-CB 4.06Å; R787-L836 HydrophobicContact CB-CD1 4.17Å; R787-L836 WeakPolarHBondContact CD-O 3.32Å; R787-L836 PolarHBondContact NH1-O 3.19Å; A788-L836 HydrophobicContact CB-CD1 4.35Å; F791-L836 HydrophobicContact CB-CD1 3.73Å; F791-L836 HydrophobicContact CB-CD2 4.41Å; F791-L836 HydrophobicContact CD2-CD1 4.36Å; F791-L836 HydrophobicContact CD2-CD2 3.61Å; F791-L836 HydrophobicContact CE2-CD2 4.15Å; F791-L836 HydrophobicContact CG-CD1 4.07Å; F791-L836 HydrophobicContact CG-CD2 4.16Å; N814-L836 WeakPolarHBondContact OD1-CD1 3.39Å; V834-L836 HydrophobicContact CG1-CD2 3.88Å; V834-L836 HydrophobicContact CG1-CG 4.38Å; V834-L836 PolarHBondContact O-N 2.87Å; L836-Y854 PolarHBondContact N-OH 3.19Å
837	M	93.2	Very high	89.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.25	C	C	.	.	S	Bend	trans	-117.1	-63.6	-170	-63.3	-67.1	-55.7	0	0	111.6	S747 V748 L756 F784 R787 D835 Y854	S747-M837 CarbonylContact C-O 3.59Å; S747-M837 WeakPolarHBondContact CA-O 3.24Å; V748-M837 HydrophobicContact CB-CE 4.17Å; V748-M837 HydrophobicContact CG1-CE 4.28Å; V748-M837 HydrophobicContact CG2-CE 4.01Å; V748-M837 PolarHBondContact N-O 2.95Å; L756-M837 HydrophobicContact CD1-CE 4.18Å; F784-M837 HydrophobicContact CD1-CG 3.75Å; F784-M837 HydrophobicContact CD2-CE 3.94Å; F784-M837 HydrophobicContact CD2-CG 4Å; F784-M837 HydrophobicContact CD2-SD 4.02Å; F784-M837 HydrophobicContact CE1-CB 4.25Å; F784-M837 HydrophobicContact CE1-CG 3.52Å; F784-M837 HydrophobicContact CE2-CB 4.45Å; F784-M837 HydrophobicContact CE2-CE 3.75Å; F784-M837 HydrophobicContact CE2-CG 3.75Å; F784-M837 HydrophobicContact CE2-SD 4.15Å; F784-M837 HydrophobicContact CG-CG 3.97Å; F784-M837 HydrophobicContact CG-SD 4.19Å; F784-M837 HydrophobicContact CZ-CB 3.98Å; F784-M837 HydrophobicContact CZ-CE 4.39Å; F784-M837 HydrophobicContact CZ-CG 3.48Å; F784-M837 VanDerWaalsContact CZ-CG 3.48Å; F784-M837 HydrophobicContact CZ-SD 4.48Å; R787-M837 VanDerWaalsContact CD-SD 3.5Å; R787-M837 HydrophobicContact CG-SD 4.46Å; D835-M837 PolarHBondContact OD1-N 2.97Å; M837-Y854 HydrophobicContact CB-CE2 4.07Å; M837-Y854 HydrophobicContact CG-CE2 4.25Å
838	F	92.9	Very high	91.3	Very high	35 Å²	35	48 Å²	48	15%	0.154	23%	0.233	C	C	.	.	S	Bend	trans	-90.6	-52.5	-168	-47.2	-61.3	0	0	0	111.4	V748 K750 F784 D835 Y854	V748-F838 WeakPolarHBondContact O-CD1 3.42Å; K750-F838 HydrophobicContact CB-CD1 4.48Å; K750-F838 HydrophobicContact CB-CE1 4.29Å; K750-F838 HydrophobicContact CG-CD1 3.62Å; K750-F838 HydrophobicContact CG-CE1 3.66Å; K750-F838 HydrophobicContact CG-CG 4.13Å; K750-F838 HydrophobicContact CG-CZ 4.18Å; F784-F838 HydrophobicContact CZ-CE2 4.23Å; F784-F838 AromaticContact CZ-CZ 3.91Å; F784-F838 HydrophobicContact CZ-CZ 3.91Å; D835-F838 PolarHBondContact OD1-N 3.3Å; F838-Y854 AromaticContact CD2-CD2 3.8Å; F838-Y854 HydrophobicContact CD2-CD2 3.8Å; F838-Y854 HydrophobicContact CD2-CE2 4.04Å; F838-Y854 AromaticContact CE2-CD2 3.7Å; F838-Y854 HydrophobicContact CE2-CD2 3.7Å; F838-Y854 HydrophobicContact CE2-CE2 4.07Å
839	E	94.3	Very high	92.5	Very high	105 Å²	105	43.7 Å²	43.7	49%	0.491	23%	0.227	S	C	.	.	S	Bend	trans	-123.4	77.3	174.4	-66.3	-179	-108.4	0	0	109.4	D835 G841 K842	D835-E839 PolarHBondContact OD1-N 3.49Å; D835-E839 PolarHBondContact OD2-N 3.28Å; D835-E839 VanDerWaalsContact OD2-N 3.11Å; E839-G841 PolarHBondContact O-N 3.49Å; E839-K842 HydrophobicContact CB-CB 3.9Å; E839-K842 HydrophobicContact CB-CD 3.85Å; E839-K842 HydrophobicContact CG-CD 4.34Å; E839-K842 WeakPolarHBondContact O-CB 3.33Å; E839-K842 PolarHBondContact O-N 3.32Å; E839-K842 IonicContact OE1-NZ 3.66Å; E839-K842 PolarHBondContact OE1-NZ 3.35Å; E839-K842 IonicContact OE2-NZ 2.68Å
840	P	95.4	Very high	93.1	Very high	22 Å²	22	40.5 Å²	40.5	14%	0.143	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	126.8	-174.4	-31.1	37.3	0	0	0	113.9	E738 A741 D835	E738-P840 HydrophobicContact CG-CB 4.46Å; E738-P840 WeakPolarHBondContact CG-O 3.46Å; A741-P840 HydrophobicContact CB-CB 3.47Å; A741-P840 VanDerWaalsContact CB-CB 3.47Å; A741-P840 HydrophobicContact CB-CG 3.38Å; D835-P840 CarbonylContact O-C 3.48Å; D835-P840 VanDerWaalsContact O-CA 3.25Å; D835-P840 WeakPolarHBondContact O-CA 3.23Å
841	G	94	Very high	93.4	Very high	4 Å²	4	38.5 Å²	38.5	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-6.6	-178.9	0	0	0	0	0	115	D835 E839	D835-G841 PolarHBondContact O-N 3.05Å; E839-G841 PolarHBondContact O-N 3.49Å
842	K	96	Very high	93.2	Very high	64 Å²	64	39.7 Å²	39.7	28%	0.278	22%	0.215	S	C	.	.			trans	-67.6	136.1	174.4	-173.3	-177.1	-175.2	-175.5	0	110.7	D835 E839 L844 E850	D835-K842 HydrophobicContact CB-CB 4.13Å; D835-K842 PolarHBondContact N-O 3.07Å; E839-K842 HydrophobicContact CB-CB 3.9Å; E839-K842 HydrophobicContact CB-CD 3.85Å; E839-K842 HydrophobicContact CG-CD 4.34Å; E839-K842 WeakPolarHBondContact O-CB 3.33Å; E839-K842 PolarHBondContact O-N 3.32Å; E839-K842 IonicContact OE1-NZ 3.66Å; E839-K842 PolarHBondContact OE1-NZ 3.35Å; E839-K842 IonicContact OE2-NZ 2.68Å; K842-L844 HydrophobicContact CD-CD2 3.87Å; K842-L844 HydrophobicContact CG-CD2 4.03Å; K842-E850 IonicContact NZ-OE1 3.48Å; K842-E850 PolarHBondContact NZ-OE1 3.16Å
843	L	95	Very high	92.9	Very high	45 Å²	45	42.9 Å²	42.9	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.9	179	-67.6	168.3	0	0	0	110.2	K730 I733 V816 I818 Y832 V834	K730-L843 HydrophobicContact CG-CD1 4.22Å; I733-L843 HydrophobicContact CG2-CD2 3.76Å; V816-L843 HydrophobicContact CG2-CD2 3.73Å; I818-L843 HydrophobicContact CD1-CD1 3.33Å; I818-L843 HydrophobicContact CD1-CD2 3.9Å; I818-L843 HydrophobicContact CD1-CG 4.18Å; Y832-L843 HydrophobicContact CD1-CB 3.92Å; Y832-L843 HydrophobicContact CG-CB 4.35Å; V834-L843 HydrophobicContact CG2-CD2 4.14Å
844	L	94.1	Very high	92.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112	178.3	-52	178.8	0	0	0	108.5	Y832 V833 D835 K842 S846 E850 A851 Y854	Y832-L844 CarbonylContact C-O 3.59Å; Y832-L844 VanDerWaalsContact CA-O 3.3Å; Y832-L844 WeakPolarHBondContact CA-O 3.3Å; V833-L844 HydrophobicContact CB-CB 4.3Å; V833-L844 PolarHBondContact N-O 3.18Å; V833-L844 PolarHBondContact O-N 2.9Å; D835-L844 HydrophobicContact CB-CD1 4.37Å; K842-L844 HydrophobicContact CD-CD2 3.87Å; K842-L844 HydrophobicContact CG-CD2 4.03Å; L844-S846 PolarHBondContact O-N 3.43Å; L844-S846 VanDerWaalsContact O-N 3.15Å; L844-E850 HydrophobicContact CD1-CG 4.33Å; L844-E850 VanDerWaalsContact CD2-CD 3.43Å; L844-E850 HydrophobicContact CD2-CG 3.85Å; L844-A851 HydrophobicContact CB-CB 4.01Å; L844-Y854 HydrophobicContact CD1-CD2 4.34Å; L844-Y854 HydrophobicContact CD1-CG 4.13Å
845	K	92.5	Very high	92.3	Very high	74 Å²	74	44.1 Å²	44.1	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	122.9	178.4	-178.9	167.9	178.6	155.3	0	109.4	D830 Y832 S847 T848 A851	D830-K845 VanDerWaalsContact CG-NZ 3.34Å; D830-K845 IonicContact OD1-NZ 2.61Å; D830-K845 IonicContact OD2-NZ 2.78Å; D830-K845 PolarHBondContact OD2-NZ 3.47Å; Y832-K845 VanDerWaalsContact CD1-CA 3.48Å; Y832-K845 HydrophobicContact CD1-CB 3.89Å; Y832-K845 HydrophobicContact CE1-CB 3.62Å; Y832-K845 HydrophobicContact CE1-CG 4.21Å; K845-S847 PolarHBondContact O-N 3.43Å; K845-T848 HydrophobicContact CB-CG2 3.95Å; K845-T848 WeakPolarHBondContact O-CB 3.47Å; K845-T848 WeakPolarHBondContact O-CG2 3.46Å; K845-T848 PolarHBondContact O-N 3.04Å; K845-T848 PolarHBondContact O-OG1 2.9Å; K845-A851 WeakPolarHBondContact O-CB 3.49Å
846	S	89	Confident	91.6	Very high	31 Å²	31	45.1 Å²	45.1	22%	0.217	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.6	-167.6	-59.8	0	0	0	0	114.2	E815 L831 L844	E815-S846 PolarHBondContact OE1-OG 3.45Å; L831-S846 PolarHBondContact O-N 3.07Å; L831-S846 PolarHBondContact O-OG 2.95Å; L844-S846 PolarHBondContact O-N 3.43Å; L844-S846 VanDerWaalsContact O-N 3.15Å
847	S	85.8	Confident	90.5	Very high	95 Å²	95	50 Å²	50	66%	0.664	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.9	177.3	68.1	0	0	0	0	115.1	K845	K845-S847 PolarHBondContact O-N 3.43Å
848	T	91.3	Very high	88.8	Confident	48 Å²	48	52.3 Å²	52.3	29%	0.294	29%	0.29	S	S	.	.	S	Bend	trans	-92	154.2	-176.6	66.2	0	0	0	0	111.9	K845 E850 A851 L852	K845-T848 HydrophobicContact CB-CG2 3.95Å; K845-T848 WeakPolarHBondContact O-CB 3.47Å; K845-T848 WeakPolarHBondContact O-CG2 3.46Å; K845-T848 PolarHBondContact O-N 3.04Å; K845-T848 PolarHBondContact O-OG1 2.9Å; T848-E850 PolarHBondContact O-N 3.41Å; T848-A851 PolarHBondContact O-N 3.44Å; T848-A851 PolarHBondContact OG1-N 3.25Å; T848-L852 PolarHBondContact O-N 3.02Å
849	S	90	Very high	86.3	Confident	79 Å²	79	59.6 Å²	59.6	55%	0.552	34%	0.343	S	S	*	.	H	α-helix	trans	-56.7	-36	172.4	-166.9	0	0	0	0	111.8	A851 L852 E853	S849-A851 PolarHBondContact O-N 2.98Å; S849-L852 WeakPolarHBondContact O-CB 3.3Å; S849-L852 PolarHBondContact O-N 3.23Å; S849-E853 WeakPolarHBondContact O-CG 3.45Å; S849-E853 PolarHBondContact O-N 3.38Å
850	E	91.3	Very high	85.9	Confident	83 Å²	83	57.3 Å²	57.3	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-40.9	178.5	-169	179	-169.3	0	0	112.1	K842 L844 T848 E853 Y854	K842-E850 IonicContact NZ-OE1 3.48Å; K842-E850 PolarHBondContact NZ-OE1 3.16Å; L844-E850 HydrophobicContact CD1-CG 4.33Å; L844-E850 VanDerWaalsContact CD2-CD 3.43Å; L844-E850 HydrophobicContact CD2-CG 3.85Å; T848-E850 PolarHBondContact O-N 3.41Å; E850-E853 PolarHBondContact O-N 3.38Å; E850-Y854 PolarHBondContact O-N 3.15Å; E850-Y854 VanDerWaalsContact O-N 3.11Å
851	A	91.6	Very high	85.4	Confident	2 Å²	2	59.2 Å²	59.2	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-37.4	174.5	0	0	0	0	0	111.9	V833 L844 K845 T848 S849 Y854 T855	V833-A851 HydrophobicContact CG2-CB 4.19Å; L844-A851 HydrophobicContact CB-CB 4.01Å; K845-A851 WeakPolarHBondContact O-CB 3.49Å; T848-A851 PolarHBondContact O-N 3.44Å; T848-A851 PolarHBondContact OG1-N 3.25Å; S849-A851 PolarHBondContact O-N 2.98Å; A851-Y854 PolarHBondContact O-N 3.05Å; A851-T855 WeakPolarHBondContact O-CB 3.41Å; A851-T855 VanDerWaalsContact O-CG2 3.23Å; A851-T855 WeakPolarHBondContact O-CG2 3.34Å; A851-T855 PolarHBondContact O-N 3.26Å; A851-T855 PolarHBondContact O-OG1 3.39Å
852	L	89.2	Confident	84.9	Confident	93 Å²	93	62.2 Å²	62.2	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-42.6	175.9	-67.8	172.2	0	0	0	112	T848 S849 Y854 T855 S856	T848-L852 PolarHBondContact O-N 3.02Å; S849-L852 WeakPolarHBondContact O-CB 3.3Å; S849-L852 PolarHBondContact O-N 3.23Å; L852-Y854 VanDerWaalsContact C-N 3.28Å; L852-Y854 PolarHBondContact O-N 3Å; L852-T855 PolarHBondContact O-N 3.07Å; L852-T855 PolarHBondContact O-OG1 3.09Å; L852-S856 PolarHBondContact O-N 3.46Å
853	E	88.4	Confident	84.2	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-31.2	174.4	-73.7	174.7	-153.4	0	0	113.1	S849 E850 S856	S849-E853 WeakPolarHBondContact O-CG 3.45Å; S849-E853 PolarHBondContact O-N 3.38Å; E850-E853 PolarHBondContact O-N 3.38Å; E853-S856 VanDerWaalsContact O-O 3.05Å
854	Y	90.6	Very high	83.6	Confident	5 Å²	5	63.2 Å²	63.2	2%	0.02	38%	0.376	C	S	.	.	H	α-helix	trans	-72.5	-42.4	175.8	-175.8	-91.8	0	0	0	111.8	F784 R811 F813 V833 D835 L836 M837 F838 L844 E850 A851 L852	F784-Y854 HydrophobicContact CD1-CE1 4.26Å; F784-Y854 HydrophobicContact CE1-CD1 4.44Å; F784-Y854 HydrophobicContact CE1-CD2 4.2Å; F784-Y854 HydrophobicContact CE1-CE1 4.01Å; F784-Y854 AromaticContact CE1-CE2 3.7Å; F784-Y854 HydrophobicContact CE1-CE2 3.7Å; F784-Y854 AromaticContact CE1-CZ 3.61Å; F784-Y854 HydrophobicContact CZ-CE2 4.42Å; R811-Y854 PolarHBondContact NH1-O 3.24Å; F813-Y854 HydrophobicContact CB-CD1 4.34Å; F813-Y854 HydrophobicContact CB-CE1 3.82Å; V833-Y854 HydrophobicContact CG1-CD1 3.58Å; V833-Y854 HydrophobicContact CG1-CE1 3.83Å; V833-Y854 HydrophobicContact CG1-CG 4.47Å; D835-Y854 HydrophobicContact CB-CE2 4.12Å; D835-Y854 VanDerWaalsContact OD1-CE2 3.26Å; D835-Y854 WeakPolarHBondContact OD1-CE2 3.48Å; L836-Y854 PolarHBondContact N-OH 3.19Å; M837-Y854 HydrophobicContact CB-CE2 4.07Å; M837-Y854 HydrophobicContact CG-CE2 4.25Å; F838-Y854 AromaticContact CD2-CD2 3.8Å; F838-Y854 HydrophobicContact CD2-CD2 3.8Å; F838-Y854 HydrophobicContact CD2-CE2 4.04Å; F838-Y854 AromaticContact CE2-CD2 3.7Å; F838-Y854 HydrophobicContact CE2-CD2 3.7Å; F838-Y854 HydrophobicContact CE2-CE2 4.07Å; L844-Y854 HydrophobicContact CD1-CD2 4.34Å; L844-Y854 HydrophobicContact CD1-CG 4.13Å; E850-Y854 PolarHBondContact O-N 3.15Å; E850-Y854 VanDerWaalsContact O-N 3.11Å; A851-Y854 PolarHBondContact O-N 3.05Å; L852-Y854 VanDerWaalsContact C-N 3.28Å; L852-Y854 PolarHBondContact O-N 3Å
855	T	90.2	Very high	82.9	Confident	22 Å²	22	67.1 Å²	67.1	14%	0.135	40%	0.399	C	S	.	.	H	α-helix	trans	-87.1	-15.3	-171	57	0	0	0	0	114.5	R811 F813 V833 A851 L852	R811-T855 VanDerWaalsContact CB-O 3.25Å; R811-T855 WeakPolarHBondContact CB-O 3.27Å; F813-T855 HydrophobicContact CD1-CG2 3.66Å; F813-T855 HydrophobicContact CD2-CG2 3.74Å; F813-T855 HydrophobicContact CE1-CG2 3.58Å; F813-T855 HydrophobicContact CE2-CG2 3.63Å; F813-T855 HydrophobicContact CG-CG2 3.74Å; F813-T855 HydrophobicContact CZ-CG2 3.56Å; V833-T855 HydrophobicContact CG1-CG2 4.15Å; V833-T855 HydrophobicContact CG2-CG2 3.97Å; A851-T855 WeakPolarHBondContact O-CB 3.41Å; A851-T855 VanDerWaalsContact O-CG2 3.23Å; A851-T855 WeakPolarHBondContact O-CG2 3.34Å; A851-T855 PolarHBondContact O-N 3.26Å; A851-T855 PolarHBondContact O-OG1 3.39Å; L852-T855 PolarHBondContact O-N 3.07Å; L852-T855 PolarHBondContact O-OG1 3.09Å
856	S	83.6	Confident	82.2	Confident	26 Å²	26	66.6 Å²	66.6	18%	0.182	41%	0.405	C	S	.	.			trans	-142.9	155.7	178.7	-179.6	0	0	0	0	111.8	T808 L852 E853 A858	T808-S856 PolarHBondContact OG1-OG 2.91Å; L852-S856 PolarHBondContact O-N 3.46Å; E853-S856 VanDerWaalsContact O-O 3.05Å; S856-A858 PolarHBondContact OG-N 3.45Å; S856-A858 PolarHBondContact OG-O 3.08Å
857	I	73	Confident	81.7	Confident	103 Å²	103	69.4 Å²	69.4	53%	0.528	42%	0.419	S	S	.	.	S	Bend	trans	-88	-11.5	170.3	-58.9	-176.2	0	0	0	111	Y809 R811	Y809-I857 HydrophobicContact CD2-CB 3.97Å; Y809-I857 HydrophobicContact CD2-CG1 4.44Å; Y809-I857 HydrophobicContact CG-CB 4.07Å; Y809-I857 HydrophobicContact CG-CD1 4.31Å; Y809-I857 HydrophobicContact CG-CG1 4.26Å; R811-I857 HydrophobicContact CG-CG1 4.46Å
858	A	56.1	Low	81.3	Confident	49 Å²	49	67.3 Å²	67.3	41%	0.405	40%	0.399	S	S	.	.			trans	-109.7	115.6	-172.5	0	0	0	0	0	112.9	Y809 S856	Y809-A858 HydrophobicContact CE2-CB 3.88Å; S856-A858 PolarHBondContact OG-N 3.45Å; S856-A858 PolarHBondContact OG-O 3.08Å
859	C	40.6	Very low	80.4	Confident	188 Å²	188	69 Å²	69	100%	1.27	41%	0.408	S	S	*	.			trans	-120.5	0	130.4	-82	0	0	0	0	107.3

Retrieved 859 of 859 residues in 577.1 ms (Link to these results)

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