A0A087X2Q1_POEFO Loading...

60 kDa heat shock protein, mitochondrial

Chaperonin implicated in mitochondrial protein import and macromolecular assembly. Together with Hsp10, facilitates the correct folding of imported proteins. May also prevent misfolding and promote the refolding and proper assembly of unfolded polypeptides generated under stress conditions in the mitochondrial matrix. The functional units of these chaperonins consist of heptameric rings of the large subunit Hsp60, which function as a back-to-back double ring. In a cyclic reaction, Hsp60 ring complexes bind one unfolded substrate protein per ring, followed by the binding of ATP and association with 2 heptameric rings of the co-chaperonin Hsp10. This leads to sequestration of the substrate protein in the inner cavity of Hsp60 where, for a certain period of time, it can fold undisturbed by other cell components. Synchronous hydrolysis of ATP in all Hsp60 subunits results in the dissociation of the chaperonin rings and the release of ADP and the folded substrate protein.

AlphaFold DB (A0A3B3TIQ9), UniProt , Accession A0A087X2Q1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	36.3	Very low	233 Å²	233	177.9 Å²	177.9	100%	1.148	89%	0.893	S	S	*	*				0	87.5	0	-168.2	-170.5	-83.2	0	0	108.3
2	F	31.1	Very low	36.2	Very low	222 Å²	222	179.9 Å²	179.9	97%	0.974	88%	0.882	S	S	*	*			trans	-146.7	131.7	167.4	-89.9	-77.1	0	0	0	109.4
3	R	34.1	Very low	36.4	Very low	243 Å²	243	174.8 Å²	174.8	92%	0.917	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-78.5	139.3	-159.2	-72.9	172.7	168.4	173.2	-4.7	113
4	L	34.3	Very low	36.7	Very low	167 Å²	167	172.9 Å²	172.9	87%	0.874	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-67.3	139	162.8	-83.2	152.1	0	0	0	110.9
5	P	38.8	Very low	36.9	Very low	118 Å²	118	168.9 Å²	168.9	77%	0.766	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-84.8	138.3	170.3	-6.8	24.7	0	0	0	112.8	V7	P5-V7 PolarHBondContact O-N 3.11Å
6	T	44	Very low	37	Very low	142 Å²	142	173.9 Å²	173.9	87%	0.871	87%	0.87	S	S	*	*			trans	-71.2	109.5	176.1	-14.2	0	0	0	0	111.5
7	V	35.9	Very low	37.3	Very low	138 Å²	138	169.1 Å²	169.1	84%	0.836	86%	0.864	S	S	*	*			trans	-145.3	84.9	154.9	-171.4	0	0	0	0	109.8	P5	P5-V7 PolarHBondContact O-N 3.11Å
8	M	36.1	Very low	37.6	Very low	183 Å²	183	169.6 Å²	169.6	90%	0.901	87%	0.867	S	S	*	*			trans	-111.4	110.8	151.4	-100.8	-165.6	173.1	0	0	106.7
9	K	33.1	Very low	37.7	Very low	196 Å²	196	165.3 Å²	165.3	85%	0.852	86%	0.86	S	S	*	*			trans	-178.5	129.3	147.6	-102.6	163.2	-173.3	-176.5	0	110.3
10	Q	32.3	Very low	37.6	Very low	162 Å²	162	163 Å²	163	76%	0.757	86%	0.856	S	S	*	*			trans	85.9	70.7	163.3	-56.5	-175.9	-0.1	0	0	118.6	R12	Q10-R12 PolarHBondContact O-N 2.78Å
11	V	37.1	Very low	37.9	Very low	153 Å²	153	163.3 Å²	163.3	93%	0.927	85%	0.853	S	S	*	*			trans	-80.4	99.4	143.6	179.6	0	0	0	0	106.8
12	R	35.4	Very low	37.9	Very low	202 Å²	202	160.2 Å²	160.2	76%	0.762	84%	0.84	S	S	*	*			trans	-84.1	141.3	165.2	-90.4	-179.1	169.2	177.5	-2.2	108.5	Q10 V14	Q10-R12 PolarHBondContact O-N 2.78Å; R12-V14 PolarHBondContact O-N 2.61Å
13	P	38.8	Very low	38.5	Very low	114 Å²	114	156.3 Å²	156.3	74%	0.74	83%	0.834	S	S	*	*			trans	-72.6	127.5	179.5	29.8	-31.1	0	0	0	109.8	C15	P13-C15 PolarHBondContact O-N 2.86Å
14	V	40.7	Very low	39.2	Very low	148 Å²	148	154.4 Å²	154.4	90%	0.897	83%	0.827	S	S	*	*			trans	-73.9	73	165.1	-178.3	0	0	0	0	107.6	R12	R12-V14 PolarHBondContact O-N 2.61Å
15	C	40	Very low	40.3	Very low	112 Å²	112	151.2 Å²	151.2	76%	0.757	83%	0.825	S	S	*	*			trans	-141.7	68.3	171.3	-89.9	0	0	0	0	108.7	P13	P13-C15 PolarHBondContact O-N 2.86Å
16	R	37.7	Very low	41.9	Very low	250 Å²	250	150.3 Å²	150.3	94%	0.943	81%	0.807	S	S	*	*	S	Bend	trans	-159.8	31.6	165.9	-129.8	178.4	-173	-177.6	2.1	115.8
17	A	42.2	Very low	43.8	Very low	92 Å²	92	146.8 Å²	146.8	76%	0.76	79%	0.792	S	S	*	*	S	Bend	trans	-132.5	22.7	-177.9	0	0	0	0	0	115.1
18	L	43	Very low	46.5	Very low	177 Å²	177	145.1 Å²	145.1	93%	0.927	77%	0.773	S	S	*	*	S	Bend	trans	-140.1	71.5	169.5	-75	173.5	0	0	0	110.4
19	A	38.5	Very low	49.2	Very low	88 Å²	88	139.7 Å²	139.7	73%	0.727	75%	0.748	S	S	*	*			trans	175.4	97.4	147.2	0	0	0	0	0	110.7
20	P	36.8	Very low	52.1	Low	120 Å²	120	133.2 Å²	133.2	78%	0.779	73%	0.725	S	S	*	*			trans	-119.2	48.2	147.5	38.4	-27	0	0	0	109.1
21	H	43.1	Very low	55.1	Low	170 Å²	170	128.9 Å²	128.9	79%	0.787	70%	0.704	S	S	*	*			trans	-119.2	128.3	161.4	-72	-52.9	0	0	0	107.1
22	L	44.1	Very low	57.9	Low	168 Å²	168	128.1 Å²	128.1	88%	0.88	69%	0.688	S	S	*	*	S	Bend	trans	93.7	57	-179	-50.7	168	0	0	0	116.2
23	T	43.3	Very low	60.6	Low	140 Å²	140	118.9 Å²	118.9	86%	0.859	66%	0.656	S	S	*	*			trans	-174.2	68.9	131.8	24.9	0	0	0	0	108.3	A25	T23-A25 VanDerWaalsContact C-N 3.27Å; T23-A25 PolarHBondContact O-N 3.3Å; T23-A25 VanDerWaalsContact O-N 3.08Å
24	R	48.9	Very low	63	Low	202 Å²	202	116.4 Å²	116.4	76%	0.762	65%	0.645	S	S	*	*			trans	-69.3	100	150.5	-94.6	-176.2	174.9	176.4	-1.8	105	Y26	R24-Y26 HydrophobicContact CB-CE1 4.38Å; R24-Y26 HydrophobicContact CB-CE2 4.2Å; R24-Y26 VanDerWaalsContact O-CD2 3.31Å; R24-Y26 WeakPolarHBondContact O-CD2 3.22Å; R24-Y26 PolarHBondContact O-N 2.85Å
25	A	57.2	Low	65.5	Low	100 Å²	100	114.8 Å²	114.8	83%	0.826	63%	0.631	S	S	*	*			trans	-64.4	93.1	163.6	0	0	0	0	0	106.3	T23 A27	T23-A25 VanDerWaalsContact C-N 3.27Å; T23-A25 PolarHBondContact O-N 3.3Å; T23-A25 VanDerWaalsContact O-N 3.08Å; A25-A27 PolarHBondContact O-N 2.65Å
26	Y	71.3	Confident	68.1	Low	100 Å²	100	109.5 Å²	109.5	39%	0.392	60%	0.596	S	S	.	*			trans	-61.1	131.1	173.6	-66.6	-78.4	0	0	0	107.7	R24 K28	R24-Y26 HydrophobicContact CB-CE1 4.38Å; R24-Y26 HydrophobicContact CB-CE2 4.2Å; R24-Y26 VanDerWaalsContact O-CD2 3.31Å; R24-Y26 WeakPolarHBondContact O-CD2 3.22Å; R24-Y26 PolarHBondContact O-N 2.85Å; Y26-K28 PolarHBondContact O-N 2.81Å
27	A	85.3	Confident	70.8	Confident	68 Å²	68	98.8 Å²	98.8	56%	0.562	56%	0.555	S	S	*	*			trans	-55	138.6	170.1	0	0	0	0	0	108.9	A25 I549	A25-A27 PolarHBondContact O-N 2.65Å; A27-I549 HydrophobicContact CB-CD1 3.56Å; A27-I549 HydrophobicContact CB-CG1 4.47Å; A27-I549 WeakPolarHBondContact O-CG1 3.22Å; A27-I549 PolarHBondContact O-N 3.22Å
28	K	91.9	Very high	73.3	Confident	102 Å²	102	96.7 Å²	96.7	44%	0.443	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.5	-175.8	-58.4	-63.2	-177	170.9	0	109.3	Y26 V546 T547 E548	Y26-K28 PolarHBondContact O-N 2.81Å; K28-V546 HydrophobicContact CB-CG1 3.67Å; K28-V546 HydrophobicContact CD-CG1 4.38Å; K28-V546 HydrophobicContact CG-CG1 3.96Å; K28-T547 CarbonylContact C-O 3.55Å; K28-T547 WeakPolarHBondContact CA-O 3.34Å; K28-T547 WeakPolarHBondContact CB-O 3.2Å; K28-T547 WeakPolarHBondContact CD-O 3.25Å; K28-E548 HydrophobicContact CD-CG 4.49Å; K28-E548 IonicContact NZ-OE1 3.67Å; K28-E548 PolarHBondContact NZ-OE1 3.24Å
29	D	92.4	Very high	75.8	Confident	69 Å²	69	89.7 Å²	89.7	37%	0.369	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.1	168	-174.2	28.9	0	0	0	109.2	Y90 V546 T547 I549	D29-Y90 VanDerWaalsContact CG-OH 3.31Å; D29-Y90 PolarHBondContact O-OH 2.83Å; D29-Y90 PolarHBondContact OD2-OH 3.26Å; D29-Y90 VanDerWaalsContact OD2-OH 3.07Å; D29-V546 CarbonylContact O-C 3.52Å; D29-V546 WeakPolarHBondContact O-CA 3.43Å; D29-T547 PolarHBondContact N-O 3.44Å; D29-T547 PolarHBondContact O-N 2.71Å; D29-I549 HydrophobicContact CB-CG1 4.27Å
30	V	95.3	Very high	78.6	Confident	60 Å²	60	85.7 Å²	85.7	36%	0.364	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.7	-175.9	-169.9	0	0	0	0	109.4	F32 V545 V546	V30-F32 HydrophobicContact CB-CE2 4.23Å; V30-F32 HydrophobicContact CB-CZ 4.49Å; V30-F32 HydrophobicContact CG1-CD2 4.27Å; V30-F32 HydrophobicContact CG1-CE1 4.15Å; V30-F32 HydrophobicContact CG1-CE2 3.55Å; V30-F32 HydrophobicContact CG1-CZ 3.49Å; V30-F32 VanDerWaalsContact CG1-CZ 3.49Å; V30-V545 WeakPolarHBondContact CA-O 3.41Å; V30-V546 HydrophobicContact CG1-CG2 4.18Å; V30-V546 HydrophobicContact CG2-CG1 4.26Å; V30-V546 HydrophobicContact CG2-CG2 4.1Å
31	K	95.4	Very high	81.4	Confident	72 Å²	72	81.1 Å²	81.1	31%	0.313	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.7	171.6	-72.8	-179.3	179.4	-104.9	0	110.1	A36 L39 Y90 A544 V545	K31-A36 HydrophobicContact CB-CB 3.87Å; K31-L39 HydrophobicContact CD-CD1 3.59Å; K31-Y90 HydrophobicContact CB-CD1 4.49Å; K31-Y90 HydrophobicContact CB-CE1 3.74Å; K31-Y90 HydrophobicContact CD-CD1 4.26Å; K31-Y90 HydrophobicContact CD-CD2 4.02Å; K31-Y90 HydrophobicContact CD-CE1 3.88Å; K31-Y90 HydrophobicContact CD-CE2 3.61Å; K31-Y90 HydrophobicContact CD-CG 4.34Å; K31-Y90 HydrophobicContact CG-CE1 3.95Å; K31-Y90 HydrophobicContact CG-CE2 4.14Å; K31-A544 WeakPolarHBondContact O-CA 3.47Å; K31-V545 PolarHBondContact N-O 3.04Å; K31-V545 PolarHBondContact O-N 2.92Å
32	F	94.5	Very high	84	Confident	136 Å²	136	77.3 Å²	77.3	60%	0.596	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.3	-176.5	-63.2	-88.7	0	0	0	111.2	V30 E543 A544	V30-F32 HydrophobicContact CB-CE2 4.23Å; V30-F32 HydrophobicContact CB-CZ 4.49Å; V30-F32 HydrophobicContact CG1-CD2 4.27Å; V30-F32 HydrophobicContact CG1-CE1 4.15Å; V30-F32 HydrophobicContact CG1-CE2 3.55Å; V30-F32 HydrophobicContact CG1-CZ 3.49Å; V30-F32 VanDerWaalsContact CG1-CZ 3.49Å; F32-E543 CarbonylContact C-O 3.55Å; F32-E543 WeakPolarHBondContact CA-O 3.4Å; F32-A544 HydrophobicContact CD1-CB 3.61Å; F32-A544 HydrophobicContact CE1-CB 3.66Å
33	G	92	Very high	86.6	Confident	9 Å²	9	69.3 Å²	69.3	9%	0.093	38%	0.377	C	S	.	.	H	α-helix	trans	55.9	-135.1	167	0	0	0	0	0	115	D35 A36 R37 E543	G33-D35 VanDerWaalsContact C-N 3.34Å; G33-D35 PolarHBondContact O-N 3.47Å; G33-A36 PolarHBondContact O-N 3.45Å; G33-R37 VanDerWaalsContact C-CZ 3.5Å; G33-R37 PolarHBondContact O-N 3.11Å; G33-R37 VanDerWaalsContact O-N 3.14Å; G33-E543 WeakPolarHBondContact CA-OE1 3.45Å; G33-E543 PolarHBondContact N-O 3.49Å; G33-E543 PolarHBondContact N-OE1 2.83Å
34	A	90.5	Very high	89.2	Confident	61 Å²	61	62.7 Å²	62.7	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-36.8	-170.7	0	0	0	0	0	113.4	A36 R37 A38	A34-A36 PolarHBondContact O-N 3.41Å; A34-R37 PolarHBondContact O-N 2.65Å; A34-A38 WeakPolarHBondContact O-CB 3.09Å; A34-A38 PolarHBondContact O-N 2.98Å
35	D	92.7	Very high	91.5	Very high	114 Å²	114	55 Å²	55	61%	0.61	31%	0.311	S	S	*	.	H	α-helix	trans	-65.2	-42.4	-179.3	-69.7	-10.6	0	0	0	111.6	G33 L39	G33-D35 VanDerWaalsContact C-N 3.34Å; G33-D35 PolarHBondContact O-N 3.47Å; D35-L39 WeakPolarHBondContact O-CG 3.28Å; D35-L39 PolarHBondContact O-N 3.42Å
36	A	94.4	Very high	93.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-44.9	176	0	0	0	0	0	111	K31 G33 A34 L39 M40 V545	K31-A36 HydrophobicContact CB-CB 3.87Å; G33-A36 PolarHBondContact O-N 3.45Å; A34-A36 PolarHBondContact O-N 3.41Å; A36-L39 PolarHBondContact O-N 3.33Å; A36-M40 WeakPolarHBondContact O-CG 3.12Å; A36-M40 PolarHBondContact O-N 3.35Å; A36-V545 HydrophobicContact CB-CB 4.24Å; A36-V545 HydrophobicContact CB-CG2 3.85Å
37	R	93.7	Very high	94.7	Very high	25 Å²	25	49.9 Å²	49.9	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-43.8	177.8	-72.3	-172.5	-76.8	-91.6	5.4	112.4	G33 A34 L39 M40 L41 F128 A542 E543	G33-R37 VanDerWaalsContact C-CZ 3.5Å; G33-R37 PolarHBondContact O-N 3.11Å; G33-R37 VanDerWaalsContact O-N 3.14Å; A34-R37 PolarHBondContact O-N 2.65Å; R37-L39 PolarHBondContact O-N 2.94Å; R37-M40 HydrophobicContact CG-CE 4.33Å; R37-M40 PolarHBondContact O-N 3.19Å; R37-L41 VanDerWaalsContact O-CB 3.31Å; R37-L41 WeakPolarHBondContact O-CB 3.47Å; R37-L41 PolarHBondContact O-N 2.89Å; R37-F128 HydrophobicContact CB-CD1 4.06Å; R37-F128 HydrophobicContact CB-CD2 4.44Å; R37-F128 HydrophobicContact CB-CE1 4.06Å; R37-F128 HydrophobicContact CB-CE2 4.47Å; R37-F128 HydrophobicContact CB-CG 4.22Å; R37-F128 HydrophobicContact CB-CZ 4.27Å; R37-F128 HydrophobicContact CG-CD1 3.79Å; R37-F128 HydrophobicContact CG-CE1 3.61Å; R37-F128 HydrophobicContact CG-CG 4.45Å; R37-F128 HydrophobicContact CG-CZ 4.18Å; R37-A542 PolarHBondContact NH1-O 2.88Å; R37-A542 VanDerWaalsContact NH1-O 3.08Å; R37-E543 IonicContact CZ-OE2 3.05Å; R37-E543 IonicContact NH1-OE2 2.71Å; R37-E543 PolarHBondContact NH1-OE2 3.03Å; R37-E543 IonicContact NH2-OE2 3.71Å
38	A	94.9	Very high	95.3	Very high	49 Å²	49	46.6 Å²	46.6	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-42.2	178.8	0	0	0	0	0	112	A34 L41 Q42	A34-A38 WeakPolarHBondContact O-CB 3.09Å; A34-A38 PolarHBondContact O-N 2.98Å; A38-L41 PolarHBondContact O-N 2.98Å; A38-Q42 WeakPolarHBondContact O-CG 3.29Å; A38-Q42 PolarHBondContact O-N 3.4Å
39	L	96.6	Very high	95.6	Very high	30 Å²	30	46 Å²	46	16%	0.157	25%	0.25	C	S	.	.	H	α-helix	trans	-68.1	-42.9	176.9	-72	168.3	0	0	0	112.4	K31 D35 A36 R37 L41 Q42 G43 Y90 K91	K31-L39 HydrophobicContact CD-CD1 3.59Å; D35-L39 WeakPolarHBondContact O-CG 3.28Å; D35-L39 PolarHBondContact O-N 3.42Å; A36-L39 PolarHBondContact O-N 3.33Å; R37-L39 PolarHBondContact O-N 2.94Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L41 PolarHBondContact O-N 2.75Å; L39-Q42 PolarHBondContact O-N 2.88Å; L39-G43 PolarHBondContact O-N 2.84Å; L39-Y90 HydrophobicContact CB-CG 4.39Å; L39-Y90 HydrophobicContact CD1-CD2 4.06Å; L39-Y90 HydrophobicContact CD1-CG 4.05Å; L39-K91 WeakPolarHBondContact O-CG 3.33Å
40	M	96.3	Very high	95.9	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-43.6	174.4	-71.3	-173.2	-63.6	0	0	111.3	A36 R37 Q42 G43 V44 I93 F128 L539 A542 V545	A36-M40 WeakPolarHBondContact O-CG 3.12Å; A36-M40 PolarHBondContact O-N 3.35Å; R37-M40 HydrophobicContact CG-CE 4.33Å; R37-M40 PolarHBondContact O-N 3.19Å; M40-Q42 VanDerWaalsContact C-N 3.33Å; M40-Q42 PolarHBondContact O-N 3.22Å; M40-G43 WeakPolarHBondContact O-CA 3.41Å; M40-G43 PolarHBondContact O-N 3.19Å; M40-V44 WeakPolarHBondContact O-CG2 3.43Å; M40-V44 PolarHBondContact O-N 3.01Å; M40-I93 HydrophobicContact CG-CG2 4.49Å; M40-I93 HydrophobicContact SD-CG2 4.06Å; M40-F128 HydrophobicContact CE-CZ 4.26Å; M40-L539 HydrophobicContact CE-CD1 3.96Å; M40-L539 HydrophobicContact SD-CD1 3.69Å; M40-A542 HydrophobicContact CE-CB 4.09Å; M40-V545 HydrophobicContact CE-CG2 3.63Å; M40-V545 HydrophobicContact SD-CG2 3.59Å; M40-V545 VanDerWaalsContact SD-CG2 3.59Å
41	L	96.1	Very high	96	Very high	24 Å²	24	41.3 Å²	41.3	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-39.4	178	-174.8	60.4	0	0	0	111.9	R37 A38 L39 G43 V44 D45 K125 F128	R37-L41 VanDerWaalsContact O-CB 3.31Å; R37-L41 WeakPolarHBondContact O-CB 3.47Å; R37-L41 PolarHBondContact O-N 2.89Å; A38-L41 PolarHBondContact O-N 2.98Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L41 PolarHBondContact O-N 2.75Å; L41-G43 PolarHBondContact O-N 3.49Å; L41-V44 HydrophobicContact CD1-CB 4.46Å; L41-V44 HydrophobicContact CD1-CG1 4.47Å; L41-V44 WeakPolarHBondContact O-CB 3.48Å; L41-V44 PolarHBondContact O-N 3.41Å; L41-D45 WeakPolarHBondContact O-CB 3.36Å; L41-D45 PolarHBondContact O-N 3.36Å; L41-K125 HydrophobicContact CD1-CB 4.11Å; L41-K125 HydrophobicContact CD2-CG 4.42Å; L41-F128 HydrophobicContact CB-CD2 3.89Å; L41-F128 HydrophobicContact CB-CE2 3.94Å; L41-F128 HydrophobicContact CD1-CD2 4.06Å; L41-F128 HydrophobicContact CD1-CE2 4.35Å; L41-F128 HydrophobicContact CD2-CD2 4.21Å; L41-F128 HydrophobicContact CG-CD2 4.27Å
42	Q	97.9	Very high	96.1	Very high	90 Å²	90	38.3 Å²	38.3	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-35.9	173.2	-74.2	176.5	22.5	0	0	112.6	A38 L39 M40 L46 K91	A38-Q42 WeakPolarHBondContact O-CG 3.29Å; A38-Q42 PolarHBondContact O-N 3.4Å; L39-Q42 PolarHBondContact O-N 2.88Å; M40-Q42 VanDerWaalsContact C-N 3.33Å; M40-Q42 PolarHBondContact O-N 3.22Å; Q42-L46 VanDerWaalsContact O-CB 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.35Å; Q42-L46 PolarHBondContact O-N 3.42Å; Q42-K91 HydrophobicContact CB-CD 4.36Å; Q42-K91 HydrophobicContact CB-CG 4.36Å
43	G	97.5	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69	-43.8	174.2	0	0	0	0	0	113.2	L39 M40 L41 L47 K91	L39-G43 PolarHBondContact O-N 2.84Å; M40-G43 WeakPolarHBondContact O-CA 3.41Å; M40-G43 PolarHBondContact O-N 3.19Å; L41-G43 PolarHBondContact O-N 3.49Å; G43-L47 PolarHBondContact O-N 2.9Å; G43-L47 VanDerWaalsContact O-N 3.16Å; G43-K91 VanDerWaalsContact CA-O 3.31Å; G43-K91 WeakPolarHBondContact CA-O 3.07Å
44	V	97.8	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.3	-50.5	173.8	169.2	0	0	0	0	110.6	M40 L41 L47 A48 V98 R121 A124 L539	M40-V44 WeakPolarHBondContact O-CG2 3.43Å; M40-V44 PolarHBondContact O-N 3.01Å; L41-V44 HydrophobicContact CD1-CB 4.46Å; L41-V44 HydrophobicContact CD1-CG1 4.47Å; L41-V44 WeakPolarHBondContact O-CB 3.48Å; L41-V44 PolarHBondContact O-N 3.41Å; V44-L47 PolarHBondContact O-N 3.4Å; V44-A48 WeakPolarHBondContact O-CB 3.43Å; V44-A48 PolarHBondContact O-N 3.15Å; V44-V98 HydrophobicContact CB-CG2 4.09Å; V44-V98 HydrophobicContact CG1-CG2 3.8Å; V44-V98 HydrophobicContact CG2-CG2 3.82Å; V44-R121 HydrophobicContact CG1-CB 4.1Å; V44-R121 HydrophobicContact CG1-CG 4.19Å; V44-A124 HydrophobicContact CG1-CB 4.43Å; V44-L539 HydrophobicContact CG2-CD2 3.91Å
45	D	98.1	Very high	96.8	Very high	41 Å²	41	31.8 Å²	31.8	22%	0.219	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-47.3	-178.8	-79.6	-25.1	0	0	0	111.2	L41 L47 A48 D49 R121	L41-D45 WeakPolarHBondContact O-CB 3.36Å; L41-D45 PolarHBondContact O-N 3.36Å; D45-L47 PolarHBondContact O-N 3.1Å; D45-A48 PolarHBondContact O-N 3.45Å; D45-D49 WeakPolarHBondContact O-CB 3.41Å; D45-D49 PolarHBondContact O-N 3.28Å; D45-R121 WeakPolarHBondContact OD1-CD 3.37Å; D45-R121 WeakPolarHBondContact OD1-CG 3.47Å
46	L	98.3	Very high	96.9	Very high	92 Å²	92	27.4 Å²	27.4	48%	0.482	16%	0.161	S	C	.	.	H	α-helix	trans	-59.1	-46	179.7	177.9	61.2	0	0	0	112.1	Q42 A50 L86	Q42-L46 VanDerWaalsContact O-CB 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.35Å; Q42-L46 PolarHBondContact O-N 3.42Å; L46-A50 PolarHBondContact O-N 3.41Å; L46-L86 HydrophobicContact CD2-CD1 3.96Å; L46-L86 HydrophobicContact CD2-CD2 3.44Å; L46-L86 VanDerWaalsContact CD2-CD2 3.44Å; L46-L86 HydrophobicContact CD2-CG 4.38Å; L46-L86 HydrophobicContact CG-CD2 4.48Å
47	L	97.8	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-46.1	178.9	-173.8	144.8	0	0	0	111.4	G43 V44 D45 D49 A50 V51 A81 I84 A95 V98 Q99 T117	G43-L47 PolarHBondContact O-N 2.9Å; G43-L47 VanDerWaalsContact O-N 3.16Å; V44-L47 PolarHBondContact O-N 3.4Å; D45-L47 PolarHBondContact O-N 3.1Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3.02Å; L47-A50 PolarHBondContact O-N 3Å; L47-V51 HydrophobicContact CD2-CG2 4.08Å; L47-V51 WeakPolarHBondContact O-CG2 3.33Å; L47-V51 PolarHBondContact O-N 3.49Å; L47-A81 HydrophobicContact CD1-CB 4.39Å; L47-A81 HydrophobicContact CD2-CB 3.95Å; L47-I84 HydrophobicContact CD1-CB 4.09Å; L47-I84 HydrophobicContact CD1-CG2 4.25Å; L47-I84 HydrophobicContact CG-CD1 4.13Å; L47-A95 HydrophobicContact CB-CB 4.31Å; L47-A95 HydrophobicContact CD1-CB 3.9Å; L47-A95 WeakPolarHBondContact CD1-O 3.48Å; L47-V98 HydrophobicContact CD2-CB 3.88Å; L47-V98 HydrophobicContact CD2-CG1 3.45Å; L47-V98 VanDerWaalsContact CD2-CG1 3.45Å; L47-Q99 HydrophobicContact CD1-CG 3.51Å; L47-Q99 VanDerWaalsContact CD1-NE2 3.34Å; L47-T117 HydrophobicContact CD2-CG2 4.18Å
48	A	97.9	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-32.3	-178.5	0	0	0	0	0	112.6	V44 D45 V51 A52 T117 R121	V44-A48 WeakPolarHBondContact O-CB 3.43Å; V44-A48 PolarHBondContact O-N 3.15Å; D45-A48 PolarHBondContact O-N 3.45Å; A48-V51 PolarHBondContact O-N 3.39Å; A48-A52 WeakPolarHBondContact O-CB 3.31Å; A48-A52 PolarHBondContact O-N 2.98Å; A48-T117 HydrophobicContact CB-CG2 3.86Å; A48-R121 HydrophobicContact CB-CB 3.72Å; A48-R121 HydrophobicContact CB-CG 4.04Å
49	D	98.3	Very high	97	Very high	89 Å²	89	30.5 Å²	30.5	48%	0.476	17%	0.173	S	C	.	.	H	α-helix	trans	-67.5	-41.3	173.8	-74.9	-14.2	0	0	0	111.3	D45 L47 V51 R121	D45-D49 WeakPolarHBondContact O-CB 3.41Å; D45-D49 PolarHBondContact O-N 3.28Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3.02Å; D49-V51 VanDerWaalsContact C-N 3.32Å; D49-V51 PolarHBondContact O-N 2.89Å; D49-R121 IonicContact OD1-CZ 2.62Å; D49-R121 IonicContact OD1-NH1 2.69Å; D49-R121 PolarHBondContact OD1-NH1 3.04Å
50	A	97.9	Very high	96.9	Very high	31 Å²	31	36.6 Å²	36.6	26%	0.256	19%	0.194	S	C	.	.	H	α-helix	trans	-65	-34.9	175.2	0	0	0	0	0	112.8	L46 L47 V53 V80 I84	L46-A50 PolarHBondContact O-N 3.41Å; L47-A50 PolarHBondContact O-N 3Å; A50-V53 WeakPolarHBondContact O-CG2 3.45Å; A50-V80 HydrophobicContact CB-CG1 4.38Å; A50-I84 HydrophobicContact CB-CD1 3.56Å
51	V	97.6	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-80.2	-40.5	177.6	171.3	0	0	0	0	111.7	L47 A48 D49 V53 T54 V80 A81 T114 T117	L47-V51 HydrophobicContact CD2-CG2 4.08Å; L47-V51 WeakPolarHBondContact O-CG2 3.33Å; L47-V51 PolarHBondContact O-N 3.49Å; A48-V51 PolarHBondContact O-N 3.39Å; D49-V51 VanDerWaalsContact C-N 3.32Å; D49-V51 PolarHBondContact O-N 2.89Å; V51-V53 PolarHBondContact O-N 3.17Å; V51-V53 VanDerWaalsContact O-N 3.08Å; V51-T54 PolarHBondContact O-N 3.22Å; V51-T54 PolarHBondContact O-OG1 3.2Å; V51-V80 HydrophobicContact CG2-CB 4.02Å; V51-V80 HydrophobicContact CG2-CG1 3.75Å; V51-A81 HydrophobicContact CG2-CB 4.06Å; V51-T114 HydrophobicContact CG1-CG2 3.81Å; V51-T117 HydrophobicContact CB-CG2 3.88Å; V51-T117 HydrophobicContact CG1-CG2 3.8Å; V51-T117 HydrophobicContact CG2-CG2 4.33Å
52	A	98	Very high	96.9	Very high	9 Å²	9	40.2 Å²	40.2	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-25.5	-173.1	0	0	0	0	0	114.2	A48 T54 M55 V118 T478 N482	A48-A52 WeakPolarHBondContact O-CB 3.31Å; A48-A52 PolarHBondContact O-N 2.98Å; A52-T54 PolarHBondContact O-N 3.3Å; A52-M55 WeakPolarHBondContact O-CB 3.29Å; A52-M55 PolarHBondContact O-N 3.43Å; A52-V118 HydrophobicContact CB-CG1 3.75Å; A52-T478 HydrophobicContact CB-CG2 4.16Å; A52-N482 PolarHBondContact O-ND2 3.48Å
53	V	97.8	Very high	96.8	Very high	55 Å²	55	41.7 Å²	41.7	33%	0.333	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.9	177.4	-58.1	0	0	0	0	113	A50 V51 G59 R60 V62	A50-V53 WeakPolarHBondContact O-CG2 3.45Å; V51-V53 PolarHBondContact O-N 3.17Å; V51-V53 VanDerWaalsContact O-N 3.08Å; V53-G59 CarbonylContact O-C 3.49Å; V53-G59 VanDerWaalsContact O-CA 3.26Å; V53-G59 WeakPolarHBondContact O-CA 3.44Å; V53-R60 PolarHBondContact O-N 3.04Å; V53-V62 HydrophobicContact CG2-CG2 3.86Å
54	T	96.6	Very high	96.7	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.025	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-13.3	179	76.2	0	0	0	0	113	V51 A52 R60 V62 K75 V80 T114	V51-T54 PolarHBondContact O-N 3.22Å; V51-T54 PolarHBondContact O-OG1 3.2Å; A52-T54 PolarHBondContact O-N 3.3Å; T54-R60 WeakPolarHBondContact CA-O 3.48Å; T54-V62 HydrophobicContact CG2-CG2 3.89Å; T54-K75 WeakPolarHBondContact CB-O 3.34Å; T54-K75 HydrophobicContact CG2-CG 4.46Å; T54-K75 WeakPolarHBondContact O-CE 3.05Å; T54-K75 PolarHBondContact OG1-O 3.07Å; T54-V80 HydrophobicContact CG2-CG2 4.48Å; T54-T114 PolarHBondContact OG1-OG1 2.88Å
55	M	96.8	Very high	96.5	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.049	27%	0.27	C	S	.	.			trans	-69.1	133.9	-172.4	-171.5	174.9	-82.9	0	0	113.4	A52 G59 T114 V118 T478 I479 N482	A52-M55 WeakPolarHBondContact O-CB 3.29Å; A52-M55 PolarHBondContact O-N 3.43Å; M55-G59 WeakPolarHBondContact O-CA 3.28Å; M55-T114 HydrophobicContact CB-CG2 3.72Å; M55-T114 HydrophobicContact CE-CG2 3.84Å; M55-T114 WeakPolarHBondContact CE-O 3.1Å; M55-T114 HydrophobicContact CG-CG2 4.37Å; M55-V118 HydrophobicContact CE-CB 4.35Å; M55-V118 HydrophobicContact CE-CG1 4Å; M55-V118 HydrophobicContact CE-CG2 3.4Å; M55-V118 VanDerWaalsContact CE-CG2 3.4Å; M55-V118 HydrophobicContact SD-CG2 4.36Å; M55-T478 HydrophobicContact CB-CG2 4.11Å; M55-T478 HydrophobicContact CG-CG2 4.44Å; M55-T478 HydrophobicContact SD-CG2 3.7Å; M55-I479 HydrophobicContact CG-CG1 3.68Å; M55-I479 HydrophobicContact SD-CG1 3.85Å; M55-N482 PolarHBondContact O-ND2 3.29Å
56	G	94.6	Very high	96	Very high	22 Å²	22	52.5 Å²	52.5	23%	0.227	28%	0.277	C	S	.	.	S	Bend	trans	83	175.6	170.1	0	0	0	0	0	114.7	K58 G59 K75	G56-K58 VanDerWaalsContact C-N 3.29Å; G56-K58 PolarHBondContact O-N 2.84Å; G56-G59 PolarHBondContact O-N 2.75Å; G56-K75 WeakPolarHBondContact O-CE 3.5Å; G56-K75 PolarHBondContact O-NZ 2.77Å
57	P	93.2	Very high	95.4	Very high	43 Å²	43	53.7 Å²	53.7	28%	0.279	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.7	-174	21.7	-32.7	0	0	0	113.3	G59 N177 A505 M506	P57-G59 VanDerWaalsContact C-N 3.35Å; P57-N177 WeakPolarHBondContact CA-OD1 3.41Å; P57-N177 PolarHBondContact O-OD1 3.42Å; P57-A505 HydrophobicContact CG-CB 3.89Å; P57-M506 HydrophobicContact CB-CB 4.12Å; P57-M506 HydrophobicContact CB-CE 3.63Å; P57-M506 HydrophobicContact CB-SD 4.21Å; P57-M506 HydrophobicContact CG-CB 4.24Å
58	K	95.8	Very high	94.4	Very high	83 Å²	83	62.7 Å²	62.7	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.4	175.4	-67.1	-178.1	177	159.6	0	113.6	G56 A483 A505 M506	G56-K58 VanDerWaalsContact C-N 3.29Å; G56-K58 PolarHBondContact O-N 2.84Å; K58-A483 HydrophobicContact CB-CB 4.38Å; K58-A483 HydrophobicContact CD-CB 3.82Å; K58-A505 WeakPolarHBondContact CD-O 3.37Å; K58-A505 VanDerWaalsContact CE-O 3.26Å; K58-A505 WeakPolarHBondContact CE-O 3.45Å; K58-A505 PolarHBondContact NZ-O 3.43Å; K58-A505 VanDerWaalsContact NZ-O 3.12Å; K58-M506 WeakPolarHBondContact CE-O 3.36Å; K58-M506 PolarHBondContact NZ-O 2.82Å
59	G	95.1	Very high	93.7	Very high	13 Å²	13	66.1 Å²	66.1	13%	0.134	36%	0.362	C	S	.	.			trans	-63.7	147.3	170.2	0	0	0	0	0	111.5	V53 M55 G56 P57 K75	V53-G59 CarbonylContact O-C 3.49Å; V53-G59 VanDerWaalsContact O-CA 3.26Å; V53-G59 WeakPolarHBondContact O-CA 3.44Å; M55-G59 WeakPolarHBondContact O-CA 3.28Å; G56-G59 PolarHBondContact O-N 2.75Å; P57-G59 VanDerWaalsContact C-N 3.35Å; G59-K75 PolarHBondContact O-NZ 3.3Å; G59-K75 VanDerWaalsContact O-NZ 3.12Å
60	R	96.2	Very high	93	Very high	158 Å²	158	65.2 Å²	65.2	60%	0.596	36%	0.363	S	S	*	.			trans	-104.6	158	-174.5	-62.7	175.4	-177	77.8	2.3	111	V53 T54	V53-R60 PolarHBondContact O-N 3.04Å; T54-R60 WeakPolarHBondContact CA-O 3.48Å
61	T	94.9	Very high	92.6	Very high	75 Å²	75	66.5 Å²	66.5	46%	0.46	37%	0.368	S	S	.	.			trans	-78.3	152.6	175.2	54.6	0	0	0	0	111.9	V73 T74	T61-V73 HydrophobicContact CG2-CG1 4Å; T61-T74 CarbonylContact C-O 3.56Å; T61-T74 WeakPolarHBondContact CA-O 3.41Å
62	V	97.1	Very high	92.2	Very high	30 Å²	30	69.1 Å²	69.1	18%	0.182	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.9	171.5	178.8	0	0	0	0	109	V53 T54 I64 V73 T74 V80	V53-V62 HydrophobicContact CG2-CG2 3.86Å; T54-V62 HydrophobicContact CG2-CG2 3.89Å; V62-I64 HydrophobicContact CG1-CG1 4.25Å; V62-V73 WeakPolarHBondContact O-CA 3.3Å; V62-T74 PolarHBondContact N-O 3.21Å; V62-T74 PolarHBondContact O-N 2.72Å; V62-V80 HydrophobicContact CB-CG2 3.66Å; V62-V80 HydrophobicContact CG1-CG1 4.17Å; V62-V80 HydrophobicContact CG1-CG2 4.02Å; V62-V80 HydrophobicContact CG2-CG1 4.32Å; V62-V80 HydrophobicContact CG2-CG2 3.86Å
63	I	95.9	Very high	92	Very high	120 Å²	120	70.5 Å²	70.5	62%	0.615	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.2	176.9	-54.3	-178.8	0	0	0	108.3	P71 K72 V73	I63-P71 HydrophobicContact CG2-CB 3.72Å; I63-P71 HydrophobicContact CG2-CG 4.2Å; I63-K72 CarbonylContact C-O 3.57Å; I63-K72 WeakPolarHBondContact CA-O 3.29Å; I63-V73 HydrophobicContact CG1-CG2 4.29Å
64	I	94.5	Very high	91.7	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.092	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.2	-176.4	-56.3	169	0	0	0	108.3	V62 Q66 P71 K72 T74 T79 V80	V62-I64 HydrophobicContact CG1-CG1 4.25Å; I64-Q66 PolarHBondContact O-N 3.2Å; I64-Q66 PolarHBondContact O-NE2 2.84Å; I64-P71 CarbonylContact O-C 3.57Å; I64-P71 WeakPolarHBondContact O-CA 3.45Å; I64-P71 WeakPolarHBondContact O-CB 3.23Å; I64-K72 HydrophobicContact CB-CB 4.44Å; I64-K72 PolarHBondContact N-O 2.64Å; I64-K72 PolarHBondContact O-N 2.79Å; I64-T74 HydrophobicContact CD1-CG2 3.76Å; I64-T79 HydrophobicContact CD1-CG2 3.86Å; I64-V80 HydrophobicContact CD1-CG2 4.41Å
65	E	93.1	Very high	91.5	Very high	174 Å²	174	69 Å²	69	81%	0.813	38%	0.376	S	S	*	.			trans	-57.4	137.4	171.9	-177.7	-180	-153.4	0	0	110.3
66	Q	88	Confident	91.2	Very high	77 Å²	77	69.4 Å²	69.4	36%	0.36	38%	0.378	S	S	.	.			trans	-109.6	139.9	172.5	-60.6	-60.8	-62.7	0	0	108.3	I64 W68 S70 K72	I64-Q66 PolarHBondContact O-N 3.2Å; I64-Q66 PolarHBondContact O-NE2 2.84Å; Q66-W68 WeakPolarHBondContact CB-O 3.31Å; Q66-W68 PolarHBondContact O-N 3.2Å; Q66-S70 WeakPolarHBondContact CG-O 3.46Å; Q66-K72 HydrophobicContact CG-CB 4.4Å
67	S	85.8	Confident	91	Very high	117 Å²	117	68.4 Å²	68.4	82%	0.818	37%	0.368	S	S	*	.	S	Bend	trans	-61.9	-16.6	178.6	-50.4	0	0	0	0	113.3
68	W	76.8	Confident	91	Very high	189 Å²	189	66.5 Å²	66.5	72%	0.716	36%	0.356	S	S	*	.	S	Bend	trans	-147.5	147.2	170.8	59.7	87.9	0	0	0	110	Q66	Q66-W68 WeakPolarHBondContact CB-O 3.31Å; Q66-W68 PolarHBondContact O-N 3.2Å
69	G	82.9	Confident	90.8	Very high	72 Å²	72	64 Å²	64	74%	0.742	35%	0.347	S	S	*	.	S	Bend	trans	81.7	-161.9	177	0	0	0	0	0	114.3
70	S	84.3	Confident	90.8	Very high	69 Å²	69	63.4 Å²	63.4	48%	0.483	34%	0.341	S	S	.	.	S	Bend	trans	-77.8	150.5	179.5	57.6	0	0	0	0	111.8	Q66	Q66-S70 WeakPolarHBondContact CG-O 3.46Å
71	P	90.1	Very high	90.7	Very high	58 Å²	58	55.9 Å²	55.9	38%	0.377	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-60.7	148.5	176	27.3	-35.5	0	0	0	111.5	I63 I64	I63-P71 HydrophobicContact CG2-CB 3.72Å; I63-P71 HydrophobicContact CG2-CG 4.2Å; I64-P71 CarbonylContact O-C 3.57Å; I64-P71 WeakPolarHBondContact O-CA 3.45Å; I64-P71 WeakPolarHBondContact O-CB 3.23Å
72	K	89.7	Confident	90.7	Very high	55 Å²	55	57.4 Å²	57.4	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.8	172.7	-174.9	172.6	-177.3	-178	0	108.8	I63 I64 Q66 T79 D419	I63-K72 CarbonylContact C-O 3.57Å; I63-K72 WeakPolarHBondContact CA-O 3.29Å; I64-K72 HydrophobicContact CB-CB 4.44Å; I64-K72 PolarHBondContact N-O 2.64Å; I64-K72 PolarHBondContact O-N 2.79Å; Q66-K72 HydrophobicContact CG-CB 4.4Å; K72-T79 HydrophobicContact CD-CG2 3.86Å; K72-D419 WeakPolarHBondContact CE-OD2 3.37Å; K72-D419 IonicContact NZ-OD1 3.7Å; K72-D419 IonicContact NZ-OD2 2.8Å; K72-D419 PolarHBondContact NZ-OD2 3.17Å
73	V	93.2	Very high	90.6	Very high	38 Å²	38	58.5 Å²	58.5	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.6	169.9	-175.8	0	0	0	0	107.2	T61 V62 I63 I412	T61-V73 HydrophobicContact CG2-CG1 4Å; V62-V73 WeakPolarHBondContact O-CA 3.3Å; I63-V73 HydrophobicContact CG1-CG2 4.29Å; V73-I412 HydrophobicContact CB-CG2 3.98Å; V73-I412 HydrophobicContact CG2-CG2 3.75Å
74	T	92	Very high	90.6	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.8	-176.1	-171.2	0	0	0	0	112.4	T61 V62 I64 D76 T79 V80	T61-T74 CarbonylContact C-O 3.56Å; T61-T74 WeakPolarHBondContact CA-O 3.41Å; V62-T74 PolarHBondContact N-O 3.21Å; V62-T74 PolarHBondContact O-N 2.72Å; I64-T74 HydrophobicContact CD1-CG2 3.76Å; T74-D76 PolarHBondContact OG1-N 2.93Å; T74-T79 HydrophobicContact CG2-CG2 3.82Å; T74-V80 HydrophobicContact CG2-CG2 3.74Å
75	K	92.3	Very high	90.6	Very high	28 Å²	28	58.2 Å²	58.2	12%	0.122	32%	0.321	C	S	.	.			trans	-109.8	-4.6	167	-163.5	172.9	174.8	169.9	0	112	T54 G56 G59 G77 N177	T54-K75 WeakPolarHBondContact CB-O 3.34Å; T54-K75 HydrophobicContact CG2-CG 4.46Å; T54-K75 WeakPolarHBondContact O-CE 3.05Å; T54-K75 PolarHBondContact OG1-O 3.07Å; G56-K75 WeakPolarHBondContact O-CE 3.5Å; G56-K75 PolarHBondContact O-NZ 2.77Å; G59-K75 PolarHBondContact O-NZ 3.3Å; G59-K75 VanDerWaalsContact O-NZ 3.12Å; K75-G77 PolarHBondContact O-N 3.47Å; K75-N177 PolarHBondContact NZ-ND2 2.86Å; K75-N177 PolarHBondContact NZ-OD1 3.29Å
76	D	89.9	Confident	90.7	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.091	29%	0.29	C	S	.	.			trans	-73.1	122.8	179.5	166.5	34	0	0	0	111.1	T74 V78 T79 V80 T113	T74-D76 PolarHBondContact OG1-N 2.93Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.15Å; D76-V78 WeakPolarHBondContact OD1-CG1 3.44Å; D76-V78 PolarHBondContact OD1-N 3.08Å; D76-V78 WeakPolarHBondContact OD2-CG1 3.3Å; D76-T79 PolarHBondContact O-N 3.02Å; D76-T79 WeakPolarHBondContact OD2-CB 3.37Å; D76-T79 PolarHBondContact OD2-N 3.24Å; D76-T79 PolarHBondContact OD2-OG1 3.13Å; D76-V80 WeakPolarHBondContact O-CG2 3.47Å; D76-V80 PolarHBondContact O-N 2.97Å; D76-T113 PolarHBondContact OD1-OG1 2.65Å
77	G	91.3	Very high	91.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-34.9	-178.8	0	0	0	0	0	113.6	K75 A81 T114	K75-G77 PolarHBondContact O-N 3.47Å; G77-A81 WeakPolarHBondContact O-CB 3.28Å; G77-A81 PolarHBondContact O-N 2.85Å; G77-T114 WeakPolarHBondContact CA-OG1 3.36Å
78	V	91.6	Very high	91.5	Very high	4 Å²	4	55 Å²	55	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-75.2	-38	-178.6	70.4	0	0	0	0	111.5	D76 V80 A81 K82 A102 N103 N106 T113	D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.15Å; D76-V78 WeakPolarHBondContact OD1-CG1 3.44Å; D76-V78 PolarHBondContact OD1-N 3.08Å; D76-V78 WeakPolarHBondContact OD2-CG1 3.3Å; V78-V80 VanDerWaalsContact C-N 3.34Å; V78-V80 PolarHBondContact O-N 3.31Å; V78-A81 PolarHBondContact O-N 2.88Å; V78-K82 HydrophobicContact CG2-CD 4.22Å; V78-K82 HydrophobicContact CG2-CG 4.27Å; V78-K82 WeakPolarHBondContact O-CB 3.4Å; V78-K82 WeakPolarHBondContact O-CG 3.29Å; V78-K82 PolarHBondContact O-N 2.68Å; V78-A102 HydrophobicContact CB-CB 4.27Å; V78-A102 HydrophobicContact CG2-CB 4.13Å; V78-N103 WeakPolarHBondContact CG2-OD1 3.46Å; V78-N106 HydrophobicContact CB-CB 4.31Å; V78-N106 HydrophobicContact CG1-CB 4.05Å; V78-N106 HydrophobicContact CG2-CB 4.28Å; V78-T113 HydrophobicContact CB-CG2 3.88Å; V78-T113 HydrophobicContact CG1-CG2 4.14Å; V78-T113 PolarHBondContact N-OG1 3.01Å
79	T	91.8	Very high	92.4	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-45.1	172.8	-64.9	0	0	0	0	111.1	I64 K72 T74 D76 S83	I64-T79 HydrophobicContact CD1-CG2 3.86Å; K72-T79 HydrophobicContact CD-CG2 3.86Å; T74-T79 HydrophobicContact CG2-CG2 3.82Å; D76-T79 PolarHBondContact O-N 3.02Å; D76-T79 WeakPolarHBondContact OD2-CB 3.37Å; D76-T79 PolarHBondContact OD2-N 3.24Å; D76-T79 PolarHBondContact OD2-OG1 3.13Å; T79-S83 PolarHBondContact O-N 3.48Å
80	V	95.8	Very high	93	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-49.7	176	176.5	0	0	0	0	110.7	A50 V51 T54 V62 I64 T74 D76 V78 K82 S83 I84	A50-V80 HydrophobicContact CB-CG1 4.38Å; V51-V80 HydrophobicContact CG2-CB 4.02Å; V51-V80 HydrophobicContact CG2-CG1 3.75Å; T54-V80 HydrophobicContact CG2-CG2 4.48Å; V62-V80 HydrophobicContact CB-CG2 3.66Å; V62-V80 HydrophobicContact CG1-CG1 4.17Å; V62-V80 HydrophobicContact CG1-CG2 4.02Å; V62-V80 HydrophobicContact CG2-CG1 4.32Å; V62-V80 HydrophobicContact CG2-CG2 3.86Å; I64-V80 HydrophobicContact CD1-CG2 4.41Å; T74-V80 HydrophobicContact CG2-CG2 3.74Å; D76-V80 WeakPolarHBondContact O-CG2 3.47Å; D76-V80 PolarHBondContact O-N 2.97Å; V78-V80 VanDerWaalsContact C-N 3.34Å; V78-V80 PolarHBondContact O-N 3.31Å; V80-K82 PolarHBondContact O-N 3.43Å; V80-S83 PolarHBondContact O-N 2.81Å; V80-S83 VanDerWaalsContact O-N 3.13Å; V80-S83 PolarHBondContact O-OG 2.87Å; V80-I84 HydrophobicContact CG1-CD1 4.08Å; V80-I84 WeakPolarHBondContact O-CG1 3.46Å
81	A	94.9	Very high	93.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-48.3	-179.3	0	0	0	0	0	111.9	L47 V51 G77 V78 S83 I84 Q99 A102	L47-A81 HydrophobicContact CD1-CB 4.39Å; L47-A81 HydrophobicContact CD2-CB 3.95Å; V51-A81 HydrophobicContact CG2-CB 4.06Å; G77-A81 WeakPolarHBondContact O-CB 3.28Å; G77-A81 PolarHBondContact O-N 2.85Å; V78-A81 PolarHBondContact O-N 2.88Å; A81-S83 PolarHBondContact O-N 2.86Å; A81-I84 PolarHBondContact O-N 3.41Å; A81-Q99 HydrophobicContact CB-CG 4.07Å; A81-Q99 WeakPolarHBondContact O-CG 3.16Å; A81-Q99 PolarHBondContact O-NE2 2.88Å; A81-A102 HydrophobicContact CB-CB 4.1Å
82	K	94.1	Very high	94	Very high	107 Å²	107	45.5 Å²	45.5	47%	0.465	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-25.9	-179.9	-76.2	-178.8	-178.8	176.7	0	113.7	V78 V80 I84 N103	V78-K82 HydrophobicContact CG2-CD 4.22Å; V78-K82 HydrophobicContact CG2-CG 4.27Å; V78-K82 WeakPolarHBondContact O-CB 3.4Å; V78-K82 WeakPolarHBondContact O-CG 3.29Å; V78-K82 PolarHBondContact O-N 2.68Å; V80-K82 PolarHBondContact O-N 3.43Å; K82-I84 VanDerWaalsContact C-N 3.33Å; K82-N103 VanDerWaalsContact CE-CG 3.49Å; K82-N103 WeakPolarHBondContact CE-OD1 3.47Å; K82-N103 WeakPolarHBondContact CG-OD1 3.45Å
83	S	93.9	Very high	94.3	Very high	53 Å²	53	45.6 Å²	45.6	37%	0.371	23%	0.226	S	C	.	.	H	α-helix	trans	-80.3	-12.2	-178.9	72.9	0	0	0	0	114.3	T79 V80 A81	T79-S83 PolarHBondContact O-N 3.48Å; V80-S83 PolarHBondContact O-N 2.81Å; V80-S83 VanDerWaalsContact O-N 3.13Å; V80-S83 PolarHBondContact O-OG 2.87Å; A81-S83 PolarHBondContact O-N 2.86Å
84	I	96.1	Very high	94.4	Very high	29 Å²	29	43.8 Å²	43.8	15%	0.149	22%	0.215	C	C	.	.			trans	-96.5	106.3	-172.8	-64.2	167.5	0	0	0	109.6	L47 A50 V80 A81 K82 L86 Q99	L47-I84 HydrophobicContact CD1-CB 4.09Å; L47-I84 HydrophobicContact CD1-CG2 4.25Å; L47-I84 HydrophobicContact CG-CD1 4.13Å; A50-I84 HydrophobicContact CB-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CD1 4.08Å; V80-I84 WeakPolarHBondContact O-CG1 3.46Å; A81-I84 PolarHBondContact O-N 3.41Å; K82-I84 VanDerWaalsContact C-N 3.33Å; I84-L86 HydrophobicContact CG2-CD2 3.87Å; I84-L86 HydrophobicContact CG2-CG 4.36Å; I84-Q99 PolarHBondContact O-NE2 3.14Å
85	D	95.4	Very high	94.6	Very high	103 Å²	103	43.7 Å²	43.7	55%	0.551	21%	0.214	S	C	*	.			trans	-114.9	132.5	168.2	-84.5	-54.9	0	0	0	110	K96	D85-K96 WeakPolarHBondContact OD1-CE 3.45Å; D85-K96 IonicContact OD1-NZ 2.71Å; D85-K96 PolarHBondContact OD1-NZ 3.01Å; D85-K96 IonicContact OD2-NZ 3.56Å
86	L	95.7	Very high	94.8	Very high	30 Å²	30	45.6 Å²	45.6	16%	0.157	22%	0.223	C	C	.	.			trans	-103.7	137.4	-175.4	-55.2	-177	0	0	0	111.3	L46 I84 K91 N92 A95	L46-L86 HydrophobicContact CD2-CD1 3.96Å; L46-L86 HydrophobicContact CD2-CD2 3.44Å; L46-L86 VanDerWaalsContact CD2-CD2 3.44Å; L46-L86 HydrophobicContact CD2-CG 4.38Å; L46-L86 HydrophobicContact CG-CD2 4.48Å; I84-L86 HydrophobicContact CG2-CD2 3.87Å; I84-L86 HydrophobicContact CG2-CG 4.36Å; L86-K91 HydrophobicContact CB-CB 4.27Å; L86-K91 HydrophobicContact CD1-CB 3.64Å; L86-N92 HydrophobicContact CB-CB 4.04Å; L86-N92 PolarHBondContact N-OD1 3.49Å; L86-N92 WeakPolarHBondContact O-CB 3.46Å; L86-A95 HydrophobicContact CD1-CB 3.9Å; L86-A95 HydrophobicContact CG-CB 4.22Å
87	K	95	Very high	94.9	Very high	208 Å²	208	47.2 Å²	47.2	90%	0.904	23%	0.231	S	C	*	.	S	Bend	trans	-63.6	-42.2	179.3	-173.2	174.6	-177.2	175.2	0	112.1	K89	K87-K89 PolarHBondContact O-N 3.08Å
88	D	95.8	Very high	95.1	Very high	64 Å²	64	47.4 Å²	47.4	34%	0.342	23%	0.232	S	C	.	.	S	Bend	trans	-71.4	124.6	175.2	-177.8	-68.2	0	0	0	110	Y90 K91 N92	D88-Y90 PolarHBondContact O-N 3Å; D88-Y90 WeakPolarHBondContact OD1-CA 3.42Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.32Å; D88-Y90 PolarHBondContact OD1-N 2.7Å; D88-K91 HydrophobicContact CB-CB 4.06Å; D88-K91 HydrophobicContact CB-CD 3.92Å; D88-K91 HydrophobicContact CB-CG 3.89Å; D88-K91 PolarHBondContact O-N 2.91Å; D88-K91 PolarHBondContact OD1-N 3.37Å; D88-N92 VanDerWaalsContact O-CB 3.29Å; D88-N92 WeakPolarHBondContact O-CB 3.3Å; D88-N92 PolarHBondContact O-N 2.94Å
89	K	95.4	Very high	95.2	Very high	90 Å²	90	47.5 Å²	47.5	39%	0.391	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-35.7	-173.7	-62.8	-61.9	-174.4	-178.5	0	113.3	K87 N92 I93 T547	K87-K89 PolarHBondContact O-N 3.08Å; K89-N92 PolarHBondContact O-N 2.9Å; K89-I93 VanDerWaalsContact O-CG1 3.32Å; K89-I93 WeakPolarHBondContact O-CG1 3.13Å; K89-I93 PolarHBondContact O-N 3.48Å; K89-T547 HydrophobicContact CB-CG2 3.73Å
90	Y	95.7	Very high	95.3	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-71.7	-43.8	179.3	-64.4	-82.7	0	0	0	110.7	D29 K31 L39 D88 N92 I93 G94 V545 T547	D29-Y90 VanDerWaalsContact CG-OH 3.31Å; D29-Y90 PolarHBondContact O-OH 2.83Å; D29-Y90 PolarHBondContact OD2-OH 3.26Å; D29-Y90 VanDerWaalsContact OD2-OH 3.07Å; K31-Y90 HydrophobicContact CB-CD1 4.49Å; K31-Y90 HydrophobicContact CB-CE1 3.74Å; K31-Y90 HydrophobicContact CD-CD1 4.26Å; K31-Y90 HydrophobicContact CD-CD2 4.02Å; K31-Y90 HydrophobicContact CD-CE1 3.88Å; K31-Y90 HydrophobicContact CD-CE2 3.61Å; K31-Y90 HydrophobicContact CD-CG 4.34Å; K31-Y90 HydrophobicContact CG-CE1 3.95Å; K31-Y90 HydrophobicContact CG-CE2 4.14Å; L39-Y90 HydrophobicContact CB-CG 4.39Å; L39-Y90 HydrophobicContact CD1-CD2 4.06Å; L39-Y90 HydrophobicContact CD1-CG 4.05Å; D88-Y90 PolarHBondContact O-N 3Å; D88-Y90 WeakPolarHBondContact OD1-CA 3.42Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.32Å; D88-Y90 PolarHBondContact OD1-N 2.7Å; Y90-N92 VanDerWaalsContact C-N 3.29Å; Y90-N92 PolarHBondContact O-N 3.47Å; Y90-I93 PolarHBondContact O-N 2.87Å; Y90-G94 PolarHBondContact O-N 3.38Å; Y90-V545 HydrophobicContact CD1-CB 3.91Å; Y90-V545 HydrophobicContact CD1-CG1 3.58Å; Y90-V545 HydrophobicContact CE1-CB 3.77Å; Y90-V545 HydrophobicContact CE1-CG1 3.67Å; Y90-T547 HydrophobicContact CD1-CG2 3.88Å; Y90-T547 HydrophobicContact CD2-CG2 4.3Å; Y90-T547 HydrophobicContact CE1-CG2 3.6Å; Y90-T547 HydrophobicContact CE2-CG2 4.06Å; Y90-T547 HydrophobicContact CG-CG2 4.2Å; Y90-T547 PolarHBondContact OH-OG1 3.33Å
91	K	97.5	Very high	95.3	Very high	62 Å²	62	49.6 Å²	49.6	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-42.4	171.9	-59	-174.5	-176.1	-164.4	0	110.6	L39 Q42 G43 L86 D88 I93 G94 A95	L39-K91 WeakPolarHBondContact O-CG 3.33Å; Q42-K91 HydrophobicContact CB-CD 4.36Å; Q42-K91 HydrophobicContact CB-CG 4.36Å; G43-K91 VanDerWaalsContact CA-O 3.31Å; G43-K91 WeakPolarHBondContact CA-O 3.07Å; L86-K91 HydrophobicContact CB-CB 4.27Å; L86-K91 HydrophobicContact CD1-CB 3.64Å; D88-K91 HydrophobicContact CB-CB 4.06Å; D88-K91 HydrophobicContact CB-CD 3.92Å; D88-K91 HydrophobicContact CB-CG 3.89Å; D88-K91 PolarHBondContact O-N 2.91Å; D88-K91 PolarHBondContact OD1-N 3.37Å; K91-I93 VanDerWaalsContact C-N 3.32Å; K91-I93 PolarHBondContact O-N 2.98Å; K91-G94 PolarHBondContact O-N 3.41Å; K91-G94 VanDerWaalsContact O-N 3.14Å; K91-A95 PolarHBondContact O-N 2.96Å
92	N	97	Very high	95.2	Very high	29 Å²	29	49.6 Å²	49.6	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-35.5	-179.8	-157.9	45.5	0	0	0	112.7	L86 D88 K89 Y90 G94 A95 K96	L86-N92 HydrophobicContact CB-CB 4.04Å; L86-N92 PolarHBondContact N-OD1 3.49Å; L86-N92 WeakPolarHBondContact O-CB 3.46Å; D88-N92 VanDerWaalsContact O-CB 3.29Å; D88-N92 WeakPolarHBondContact O-CB 3.3Å; D88-N92 PolarHBondContact O-N 2.94Å; K89-N92 PolarHBondContact O-N 2.9Å; Y90-N92 VanDerWaalsContact C-N 3.29Å; Y90-N92 PolarHBondContact O-N 3.47Å; N92-G94 VanDerWaalsContact C-N 3.35Å; N92-A95 PolarHBondContact O-N 3.35Å; N92-K96 WeakPolarHBondContact O-CB 3.15Å; N92-K96 VanDerWaalsContact O-CG 3.24Å; N92-K96 WeakPolarHBondContact O-CG 3.47Å; N92-K96 PolarHBondContact O-N 3.04Å
93	I	96.1	Very high	95.1	Very high	56 Å²	56	45.9 Å²	45.9	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-47.5	172.3	-73.3	166.9	0	0	0	110.3	M40 K89 Y90 K91 A95 K96 L97 V545 T547	M40-I93 HydrophobicContact CG-CG2 4.49Å; M40-I93 HydrophobicContact SD-CG2 4.06Å; K89-I93 VanDerWaalsContact O-CG1 3.32Å; K89-I93 WeakPolarHBondContact O-CG1 3.13Å; K89-I93 PolarHBondContact O-N 3.48Å; Y90-I93 PolarHBondContact O-N 2.87Å; K91-I93 VanDerWaalsContact C-N 3.32Å; K91-I93 PolarHBondContact O-N 2.98Å; I93-A95 PolarHBondContact O-N 3.19Å; I93-K96 PolarHBondContact O-N 3.43Å; I93-L97 HydrophobicContact CG2-CD1 4.19Å; I93-L97 WeakPolarHBondContact O-CG 3.36Å; I93-L97 PolarHBondContact O-N 2.91Å; I93-L97 VanDerWaalsContact O-N 3.09Å; I93-V545 HydrophobicContact CD1-CG1 3.52Å; I93-T547 HydrophobicContact CD1-CG2 3.72Å
94	G	95.6	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-47.3	175.3	0	0	0	0	0	112.4	Y90 K91 N92 L97 V98	Y90-G94 PolarHBondContact O-N 3.38Å; K91-G94 PolarHBondContact O-N 3.41Å; K91-G94 VanDerWaalsContact O-N 3.14Å; N92-G94 VanDerWaalsContact C-N 3.35Å; G94-L97 PolarHBondContact O-N 3.39Å; G94-V98 WeakPolarHBondContact O-CG2 3.16Å; G94-V98 PolarHBondContact O-N 3.3Å
95	A	96.3	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-45.7	177	0	0	0	0	0	112.2	L47 L86 K91 N92 I93 L97 V98 Q99	L47-A95 HydrophobicContact CB-CB 4.31Å; L47-A95 HydrophobicContact CD1-CB 3.9Å; L47-A95 WeakPolarHBondContact CD1-O 3.48Å; L86-A95 HydrophobicContact CD1-CB 3.9Å; L86-A95 HydrophobicContact CG-CB 4.22Å; K91-A95 PolarHBondContact O-N 2.96Å; N92-A95 PolarHBondContact O-N 3.35Å; I93-A95 PolarHBondContact O-N 3.19Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 3.03Å; A95-V98 PolarHBondContact O-N 3.47Å; A95-V98 VanDerWaalsContact O-N 3.16Å; A95-Q99 WeakPolarHBondContact O-CG 3.43Å; A95-Q99 PolarHBondContact O-N 2.97Å
96	K	95.4	Very high	94.4	Very high	68 Å²	68	42.6 Å²	42.6	30%	0.296	21%	0.206	S	C	.	.	H	α-helix	trans	-61.7	-39.6	179.9	-73.9	-69.4	168.3	-157.4	0	112.8	D85 N92 I93 V98 Q99 D100	D85-K96 WeakPolarHBondContact OD1-CE 3.45Å; D85-K96 IonicContact OD1-NZ 2.71Å; D85-K96 PolarHBondContact OD1-NZ 3.01Å; D85-K96 IonicContact OD2-NZ 3.56Å; N92-K96 WeakPolarHBondContact O-CB 3.15Å; N92-K96 VanDerWaalsContact O-CG 3.24Å; N92-K96 WeakPolarHBondContact O-CG 3.47Å; N92-K96 PolarHBondContact O-N 3.04Å; I93-K96 PolarHBondContact O-N 3.43Å; K96-V98 VanDerWaalsContact C-N 3.31Å; K96-V98 PolarHBondContact O-N 3.42Å; K96-Q99 WeakPolarHBondContact O-CB 3.27Å; K96-Q99 PolarHBondContact O-N 3Å; K96-Q99 VanDerWaalsContact O-N 3.17Å; K96-D100 VanDerWaalsContact O-CG 3.27Å; K96-D100 PolarHBondContact O-N 3.4Å
97	L	93.4	Very high	93.9	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.262	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-36.1	176.7	-69.1	170.6	0	0	0	112.5	I93 G94 A95 D100 V101 V535 L539	I93-L97 HydrophobicContact CG2-CD1 4.19Å; I93-L97 WeakPolarHBondContact O-CG 3.36Å; I93-L97 PolarHBondContact O-N 2.91Å; I93-L97 VanDerWaalsContact O-N 3.09Å; G94-L97 PolarHBondContact O-N 3.39Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 3.03Å; L97-D100 PolarHBondContact O-N 3.24Å; L97-V101 PolarHBondContact O-N 2.85Å; L97-V535 HydrophobicContact CB-CG1 4.07Å; L97-V535 HydrophobicContact CD2-CG1 4.33Å; L97-L539 HydrophobicContact CD1-CB 4.21Å; L97-L539 HydrophobicContact CD1-CD1 3.57Å; L97-L539 HydrophobicContact CD1-CD2 4.07Å; L97-L539 HydrophobicContact CD1-CG 4.14Å
98	V	94.3	Very high	93.3	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-73.7	-33.4	174.6	-175.2	0	0	0	0	111.4	V44 L47 G94 A95 K96 D100 V101 A102 T117	V44-V98 HydrophobicContact CB-CG2 4.09Å; V44-V98 HydrophobicContact CG1-CG2 3.8Å; V44-V98 HydrophobicContact CG2-CG2 3.82Å; L47-V98 HydrophobicContact CD2-CB 3.88Å; L47-V98 HydrophobicContact CD2-CG1 3.45Å; L47-V98 VanDerWaalsContact CD2-CG1 3.45Å; G94-V98 WeakPolarHBondContact O-CG2 3.16Å; G94-V98 PolarHBondContact O-N 3.3Å; A95-V98 PolarHBondContact O-N 3.47Å; A95-V98 VanDerWaalsContact O-N 3.16Å; K96-V98 VanDerWaalsContact C-N 3.31Å; K96-V98 PolarHBondContact O-N 3.42Å; V98-D100 VanDerWaalsContact C-N 3.3Å; V98-D100 PolarHBondContact O-N 3.33Å; V98-V101 WeakPolarHBondContact O-CB 3.44Å; V98-V101 PolarHBondContact O-N 2.99Å; V98-A102 PolarHBondContact O-N 3.33Å; V98-T117 HydrophobicContact CG1-CG2 3.65Å
99	Q	94.7	Very high	92.8	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-43	170.2	-70.8	169.6	36.1	0	0	111.2	L47 A81 I84 A95 K96 V101 A102 N103	L47-Q99 HydrophobicContact CD1-CG 3.51Å; L47-Q99 VanDerWaalsContact CD1-NE2 3.34Å; A81-Q99 HydrophobicContact CB-CG 4.07Å; A81-Q99 WeakPolarHBondContact O-CG 3.16Å; A81-Q99 PolarHBondContact O-NE2 2.88Å; I84-Q99 PolarHBondContact O-NE2 3.14Å; A95-Q99 WeakPolarHBondContact O-CG 3.43Å; A95-Q99 PolarHBondContact O-N 2.97Å; K96-Q99 WeakPolarHBondContact O-CB 3.27Å; K96-Q99 PolarHBondContact O-N 3Å; K96-Q99 VanDerWaalsContact O-N 3.17Å; Q99-V101 VanDerWaalsContact C-N 3.29Å; Q99-V101 PolarHBondContact O-N 3.2Å; Q99-A102 PolarHBondContact O-N 3.33Å; Q99-N103 WeakPolarHBondContact O-CB 3.34Å; Q99-N103 PolarHBondContact O-N 2.88Å; Q99-N103 PolarHBondContact O-ND2 3.11Å; Q99-N103 PolarHBondContact O-OD1 3.42Å
100	D	93.5	Very high	92.2	Very high	72 Å²	72	34.8 Å²	34.8	39%	0.385	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-39	177.7	-66.4	-19.8	0	0	0	111.2	K96 L97 V98 N103 N104	K96-D100 VanDerWaalsContact O-CG 3.27Å; K96-D100 PolarHBondContact O-N 3.4Å; L97-D100 PolarHBondContact O-N 3.24Å; V98-D100 VanDerWaalsContact C-N 3.3Å; V98-D100 PolarHBondContact O-N 3.33Å; D100-N103 PolarHBondContact O-N 2.78Å; D100-N104 WeakPolarHBondContact O-CB 3.3Å; D100-N104 PolarHBondContact O-N 2.95Å; D100-N104 PolarHBondContact O-ND2 3.29Å; D100-N104 PolarHBondContact O-OD1 3.35Å
101	V	94.7	Very high	91.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-52.8	172	173.5	0	0	0	0	111.2	L97 V98 Q99 N103 N104 T105 A116 A120 D531 A532 V535	L97-V101 PolarHBondContact O-N 2.85Å; V98-V101 WeakPolarHBondContact O-CB 3.44Å; V98-V101 PolarHBondContact O-N 2.99Å; Q99-V101 VanDerWaalsContact C-N 3.29Å; Q99-V101 PolarHBondContact O-N 3.2Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 2.79Å; V101-N104 PolarHBondContact O-N 3.18Å; V101-T105 PolarHBondContact O-N 3.36Å; V101-T105 VanDerWaalsContact O-N 3.09Å; V101-T105 PolarHBondContact O-OG1 3.23Å; V101-A116 HydrophobicContact CG1-CB 3.62Å; V101-A120 HydrophobicContact CG1-CB 4.22Å; V101-A120 HydrophobicContact CG2-CB 4.18Å; V101-D531 HydrophobicContact CG1-CB 4.32Å; V101-A532 HydrophobicContact CG1-CB 4.17Å; V101-V535 HydrophobicContact CG2-CB 3.41Å; V101-V535 VanDerWaalsContact CG2-CB 3.41Å; V101-V535 HydrophobicContact CG2-CG1 3.81Å; V101-V535 HydrophobicContact CG2-CG2 3.58Å
102	A	93.2	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-37.2	-179.2	0	0	0	0	0	111.9	V78 A81 V98 Q99 N106	V78-A102 HydrophobicContact CB-CB 4.27Å; V78-A102 HydrophobicContact CG2-CB 4.13Å; A81-A102 HydrophobicContact CB-CB 4.1Å; V98-A102 PolarHBondContact O-N 3.33Å; Q99-A102 PolarHBondContact O-N 3.33Å; A102-N106 VanDerWaalsContact O-CB 3.32Å; A102-N106 WeakPolarHBondContact O-CB 3.39Å; A102-N106 PolarHBondContact O-N 3.05Å
103	N	92.1	Very high	91.6	Very high	29 Å²	29	32.4 Å²	32.4	16%	0.155	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-49.6	178	-66.9	-17.2	0	0	0	111.9	V78 K82 Q99 D100 V101 T105 N106 E107	V78-N103 WeakPolarHBondContact CG2-OD1 3.46Å; K82-N103 VanDerWaalsContact CE-CG 3.49Å; K82-N103 WeakPolarHBondContact CE-OD1 3.47Å; K82-N103 WeakPolarHBondContact CG-OD1 3.45Å; Q99-N103 WeakPolarHBondContact O-CB 3.34Å; Q99-N103 PolarHBondContact O-N 2.88Å; Q99-N103 PolarHBondContact O-ND2 3.11Å; Q99-N103 PolarHBondContact O-OD1 3.42Å; D100-N103 PolarHBondContact O-N 2.78Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 2.79Å; N103-T105 VanDerWaalsContact C-N 3.34Å; N103-T105 PolarHBondContact O-N 3.25Å; N103-N106 WeakPolarHBondContact O-CB 3.28Å; N103-N106 PolarHBondContact O-N 3.16Å; N103-E107 WeakPolarHBondContact O-CG 3.3Å; N103-E107 PolarHBondContact O-N 2.84Å
104	N	90.2	Very high	91.7	Very high	70 Å²	70	30.5 Å²	30.5	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-61.5	-44.7	-178.7	-67	-9.9	0	0	0	110.9	D100 V101 N106 E107 E108	D100-N104 WeakPolarHBondContact O-CB 3.3Å; D100-N104 PolarHBondContact O-N 2.95Å; D100-N104 PolarHBondContact O-ND2 3.29Å; D100-N104 PolarHBondContact O-OD1 3.35Å; V101-N104 PolarHBondContact O-N 3.18Å; N104-N106 VanDerWaalsContact C-N 3.31Å; N104-N106 PolarHBondContact O-N 3.47Å; N104-E107 PolarHBondContact O-N 2.95Å; N104-E108 PolarHBondContact O-N 2.99Å
105	T	91.8	Very high	91.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-38.6	176.9	-59.9	0	0	0	0	111.6	V101 N103 A109 G110 D111 A116 T527 A528 D531	V101-T105 PolarHBondContact O-N 3.36Å; V101-T105 VanDerWaalsContact O-N 3.09Å; V101-T105 PolarHBondContact O-OG1 3.23Å; N103-T105 VanDerWaalsContact C-N 3.34Å; N103-T105 PolarHBondContact O-N 3.25Å; T105-A109 WeakPolarHBondContact O-CB 3.28Å; T105-A109 PolarHBondContact O-N 3.41Å; T105-G110 PolarHBondContact O-N 3.18Å; T105-D111 WeakPolarHBondContact CG2-O 3.43Å; T105-A116 HydrophobicContact CG2-CB 4.15Å; T105-A116 WeakPolarHBondContact OG1-CB 3.19Å; T105-T527 HydrophobicContact CG2-CG2 4.35Å; T105-A528 HydrophobicContact CG2-CB 4.1Å; T105-D531 VanDerWaalsContact CA-OD2 3.24Å; T105-D531 WeakPolarHBondContact CA-OD2 3.47Å; T105-D531 PolarHBondContact N-OD2 2.89Å; T105-D531 VanDerWaalsContact N-OD2 3.13Å; T105-D531 PolarHBondContact OG1-OD2 2.95Å
106	N	90.1	Very high	91.9	Very high	46 Å²	46	32.3 Å²	32.3	25%	0.246	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-39	174.7	-171.8	76	0	0	0	112.7	V78 A102 N103 N104 G110 T113	V78-N106 HydrophobicContact CB-CB 4.31Å; V78-N106 HydrophobicContact CG1-CB 4.05Å; V78-N106 HydrophobicContact CG2-CB 4.28Å; A102-N106 VanDerWaalsContact O-CB 3.32Å; A102-N106 WeakPolarHBondContact O-CB 3.39Å; A102-N106 PolarHBondContact O-N 3.05Å; N103-N106 WeakPolarHBondContact O-CB 3.28Å; N103-N106 PolarHBondContact O-N 3.16Å; N104-N106 VanDerWaalsContact C-N 3.31Å; N104-N106 PolarHBondContact O-N 3.47Å; N106-G110 WeakPolarHBondContact O-CA 3.11Å; N106-G110 PolarHBondContact O-N 3.43Å; N106-T113 HydrophobicContact CB-CG2 3.69Å
107	E	84	Confident	92	Very high	142 Å²	142	29.1 Å²	29.1	66%	0.664	15%	0.154	S	C	*	.	H	α-helix	trans	-70.1	-37.3	178.8	-73	-178	-175.9	0	0	112.1	N103 N104	N103-E107 WeakPolarHBondContact O-CG 3.3Å; N103-E107 PolarHBondContact O-N 2.84Å; N104-E107 PolarHBondContact O-N 2.95Å
108	E	82.2	Confident	92.2	Very high	74 Å²	74	26.7 Å²	26.7	35%	0.346	14%	0.142	S	C	.	.	H	α-helix	trans	-86.4	-37.5	-176.7	-177.4	179.1	157.6	0	0	113.6	N104 K523 R526 T527	N104-E108 PolarHBondContact O-N 2.99Å; E108-K523 WeakPolarHBondContact O-CE 3.36Å; E108-R526 IonicContact OE1-NH1 3.75Å; E108-R526 IonicContact OE1-NH2 2.96Å; E108-T527 HydrophobicContact CB-CG2 3.79Å; E108-T527 VanDerWaalsContact CD-CG2 3.5Å; E108-T527 HydrophobicContact CG-CG2 3.81Å; E108-T527 PolarHBondContact OE1-OG1 3.08Å; E108-T527 VanDerWaalsContact OE1-OG1 3.06Å
109	A	85.7	Confident	92.4	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-25.6	-174.3	0	0	0	0	0	114.3	T105 D111 V524 T527	T105-A109 WeakPolarHBondContact O-CB 3.28Å; T105-A109 PolarHBondContact O-N 3.41Å; A109-D111 PolarHBondContact O-N 2.91Å; A109-V524 HydrophobicContact CB-CB 4.48Å; A109-V524 HydrophobicContact CB-CG2 3.99Å; A109-T527 HydrophobicContact CB-CG2 4.25Å
110	G	82.6	Confident	92.6	Very high	5 Å²	5	26.3 Å²	26.3	5%	0.052	14%	0.14	C	C	.	.	S	Bend	trans	69	11.3	179.6	0	0	0	0	0	115.7	T105 N106 N426	T105-G110 PolarHBondContact O-N 3.18Å; N106-G110 WeakPolarHBondContact O-CA 3.11Å; N106-G110 PolarHBondContact O-N 3.43Å; G110-N426 WeakPolarHBondContact O-CB 3.31Å; G110-N426 PolarHBondContact O-ND2 3.36Å
111	D	89.6	Confident	92.8	Very high	36 Å²	36	24.7 Å²	24.7	19%	0.193	13%	0.129	C	C	.	.	S	Bend	trans	-155.7	172.3	171.4	-170.3	5.8	0	0	0	107.9	T105 A109 S175 A427 V524	T105-D111 WeakPolarHBondContact CG2-O 3.43Å; A109-D111 PolarHBondContact O-N 2.91Å; D111-S175 PolarHBondContact OD2-OG 3.4Å; D111-A427 HydrophobicContact CB-CB 4.33Å; D111-V524 HydrophobicContact CB-CG1 4.2Å; D111-V524 HydrophobicContact CB-CG2 4.1Å
112	G	93	Very high	92.9	Very high	6 Å²	6	25.2 Å²	25.2	6%	0.062	13%	0.133	C	C	.	.			trans	84	9.3	176.1	0	0	0	0	0	114.8	T114 T115 A116	G112-T114 PolarHBondContact O-N 2.98Å; G112-T115 WeakPolarHBondContact O-CA 3.4Å; G112-T115 WeakPolarHBondContact O-CB 3.28Å; G112-T115 PolarHBondContact O-N 2.98Å; G112-T115 VanDerWaalsContact O-N 3.08Å; G112-A116 PolarHBondContact O-N 3Å
113	T	95.3	Very high	93.2	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-43	-176.2	59.7	0	0	0	0	112.4	D76 V78 N106 A116 T117	D76-T113 PolarHBondContact OD1-OG1 2.65Å; V78-T113 HydrophobicContact CB-CG2 3.88Å; V78-T113 HydrophobicContact CG1-CG2 4.14Å; V78-T113 PolarHBondContact N-OG1 3.01Å; N106-T113 HydrophobicContact CB-CG2 3.69Å; T113-A116 PolarHBondContact O-N 3.06Å; T113-T117 WeakPolarHBondContact O-CB 3.26Å; T113-T117 PolarHBondContact O-N 3.42Å; T113-T117 PolarHBondContact O-OG1 2.83Å
114	T	97	Very high	93.3	Very high	17 Å²	17	24 Å²	24	10%	0.104	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-37.8	175	-50.3	0	0	0	0	111.6	V51 T54 M55 G77 G112 T117 V118	V51-T114 HydrophobicContact CG1-CG2 3.81Å; T54-T114 PolarHBondContact OG1-OG1 2.88Å; M55-T114 HydrophobicContact CB-CG2 3.72Å; M55-T114 HydrophobicContact CE-CG2 3.84Å; M55-T114 WeakPolarHBondContact CE-O 3.1Å; M55-T114 HydrophobicContact CG-CG2 4.37Å; G77-T114 WeakPolarHBondContact CA-OG1 3.36Å; G112-T114 PolarHBondContact O-N 2.98Å; T114-T117 PolarHBondContact O-N 3.43Å; T114-V118 PolarHBondContact O-N 2.93Å; T114-V118 VanDerWaalsContact O-N 3.07Å
115	T	98.1	Very high	93.6	Very high	38 Å²	38	25.3 Å²	25.3	23%	0.233	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-46.9	175.9	-60.5	0	0	0	0	111.4	G112 T117 V118 L119 P475 A528	G112-T115 WeakPolarHBondContact O-CA 3.4Å; G112-T115 WeakPolarHBondContact O-CB 3.28Å; G112-T115 PolarHBondContact O-N 2.98Å; G112-T115 VanDerWaalsContact O-N 3.08Å; T115-T117 VanDerWaalsContact C-N 3.29Å; T115-T117 PolarHBondContact O-N 3.05Å; T115-V118 WeakPolarHBondContact O-CG2 3.39Å; T115-V118 PolarHBondContact O-N 3.39Å; T115-L119 HydrophobicContact CG2-CD1 3.9Å; T115-L119 HydrophobicContact CG2-CG 4.48Å; T115-L119 WeakPolarHBondContact O-CB 3.26Å; T115-L119 VanDerWaalsContact O-CG 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.33Å; T115-L119 PolarHBondContact O-N 3.02Å; T115-L119 VanDerWaalsContact O-N 3.07Å; T115-P475 HydrophobicContact CG2-CB 4.33Å; T115-P475 HydrophobicContact CG2-CG 4.03Å; T115-A528 HydrophobicContact CG2-CB 4.27Å
116	A	98.1	Very high	93.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-42.1	175.8	0	0	0	0	0	111.2	V101 T105 G112 T113 L119 A120 A528 A532	V101-A116 HydrophobicContact CG1-CB 3.62Å; T105-A116 HydrophobicContact CG2-CB 4.15Å; T105-A116 WeakPolarHBondContact OG1-CB 3.19Å; G112-A116 PolarHBondContact O-N 3Å; T113-A116 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.38Å; A116-A120 VanDerWaalsContact O-CB 3.31Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.16Å; A116-A528 HydrophobicContact CB-CB 3.89Å; A116-A532 VanDerWaalsContact O-CB 3.29Å; A116-A532 WeakPolarHBondContact O-CB 3.37Å
117	T	98.1	Very high	93.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.5	-48.2	179.1	-60.8	0	0	0	0	112.8	L47 A48 V51 V98 T113 T114 T115 A120 R121	L47-T117 HydrophobicContact CD2-CG2 4.18Å; A48-T117 HydrophobicContact CB-CG2 3.86Å; V51-T117 HydrophobicContact CB-CG2 3.88Å; V51-T117 HydrophobicContact CG1-CG2 3.8Å; V51-T117 HydrophobicContact CG2-CG2 4.33Å; V98-T117 HydrophobicContact CG1-CG2 3.65Å; T113-T117 WeakPolarHBondContact O-CB 3.26Å; T113-T117 PolarHBondContact O-N 3.42Å; T113-T117 PolarHBondContact O-OG1 2.83Å; T114-T117 PolarHBondContact O-N 3.43Å; T115-T117 VanDerWaalsContact C-N 3.29Å; T115-T117 PolarHBondContact O-N 3.05Å; T117-A120 PolarHBondContact O-N 3.29Å; T117-R121 PolarHBondContact O-N 2.84Å
118	V	98.3	Very high	94.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.3	-31.7	-179.4	-59.3	0	0	0	0	112.7	A52 M55 T114 T115 A122 I474 P475 T478	A52-V118 HydrophobicContact CB-CG1 3.75Å; M55-V118 HydrophobicContact CE-CB 4.35Å; M55-V118 HydrophobicContact CE-CG1 4Å; M55-V118 HydrophobicContact CE-CG2 3.4Å; M55-V118 VanDerWaalsContact CE-CG2 3.4Å; M55-V118 HydrophobicContact SD-CG2 4.36Å; T114-V118 PolarHBondContact O-N 2.93Å; T114-V118 VanDerWaalsContact O-N 3.07Å; T115-V118 WeakPolarHBondContact O-CG2 3.39Å; T115-V118 PolarHBondContact O-N 3.39Å; V118-A122 WeakPolarHBondContact O-CB 3.36Å; V118-A122 PolarHBondContact O-N 2.7Å; V118-A122 VanDerWaalsContact O-N 3.12Å; V118-I474 HydrophobicContact CB-CG2 4.02Å; V118-I474 HydrophobicContact CG2-CG2 4.08Å; V118-P475 HydrophobicContact CG2-CG 4.46Å; V118-T478 HydrophobicContact CG1-CG2 4.41Å
119	L	98.5	Very high	94.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-44.6	172.3	-73	171.6	0	0	0	110.6	T115 A116 R121 A122 I123 L444 A471 P475 L529 A532	T115-L119 HydrophobicContact CG2-CD1 3.9Å; T115-L119 HydrophobicContact CG2-CG 4.48Å; T115-L119 WeakPolarHBondContact O-CB 3.26Å; T115-L119 VanDerWaalsContact O-CG 3.26Å; T115-L119 WeakPolarHBondContact O-CG 3.33Å; T115-L119 PolarHBondContact O-N 3.02Å; T115-L119 VanDerWaalsContact O-N 3.07Å; A116-L119 PolarHBondContact O-N 3.38Å; L119-R121 PolarHBondContact O-N 3.49Å; L119-A122 PolarHBondContact O-N 2.78Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.87Å; L119-L444 HydrophobicContact CD1-CD1 4.36Å; L119-A471 HydrophobicContact CD2-CB 4.45Å; L119-A471 WeakPolarHBondContact CD2-O 3.48Å; L119-P475 HydrophobicContact CD2-CG 3.89Å; L119-P475 HydrophobicContact CG-CG 4.1Å; L119-L529 HydrophobicContact CD1-CB 4.34Å; L119-L529 HydrophobicContact CD1-CD1 4.24Å; L119-A532 HydrophobicContact CB-CB 3.68Å
120	A	98.1	Very high	94.6	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.025	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-45.1	179.1	0	0	0	0	0	111.3	V101 A116 T117 A122 I123 A124 A532 A536	V101-A120 HydrophobicContact CG1-CB 4.22Å; V101-A120 HydrophobicContact CG2-CB 4.18Å; A116-A120 VanDerWaalsContact O-CB 3.31Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.16Å; T117-A120 PolarHBondContact O-N 3.29Å; A120-A122 PolarHBondContact O-N 2.87Å; A120-I123 PolarHBondContact O-N 3.41Å; A120-A124 VanDerWaalsContact O-CB 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.48Å; A120-A532 HydrophobicContact CB-CB 4Å; A120-A536 HydrophobicContact CB-CB 4.37Å; A120-A536 WeakPolarHBondContact O-CB 3.41Å
121	R	97.8	Very high	94.7	Very high	39 Å²	39	20.3 Å²	20.3	15%	0.147	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-48.9	173.2	179.5	-169.3	57.7	-160.1	-7.8	111.5	V44 D45 A48 D49 T117 L119 I123 A124 K125	V44-R121 HydrophobicContact CG1-CB 4.1Å; V44-R121 HydrophobicContact CG1-CG 4.19Å; D45-R121 WeakPolarHBondContact OD1-CD 3.37Å; D45-R121 WeakPolarHBondContact OD1-CG 3.47Å; A48-R121 HydrophobicContact CB-CB 3.72Å; A48-R121 HydrophobicContact CB-CG 4.04Å; D49-R121 IonicContact OD1-CZ 2.62Å; D49-R121 IonicContact OD1-NH1 2.69Å; D49-R121 PolarHBondContact OD1-NH1 3.04Å; T117-R121 PolarHBondContact O-N 2.84Å; L119-R121 PolarHBondContact O-N 3.49Å; R121-I123 PolarHBondContact O-N 3.09Å; R121-A124 PolarHBondContact O-N 3.23Å; R121-K125 VanDerWaalsContact O-CB 3.3Å; R121-K125 WeakPolarHBondContact O-CB 3.42Å; R121-K125 PolarHBondContact O-N 2.87Å
122	A	97.9	Very high	93.9	Very high	11 Å²	11	22.6 Å²	22.6	9%	0.091	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-177.3	0	0	0	0	0	112.4	V118 L119 A120 E126 A471 I474	V118-A122 WeakPolarHBondContact O-CB 3.36Å; V118-A122 PolarHBondContact O-N 2.7Å; V118-A122 VanDerWaalsContact O-N 3.12Å; L119-A122 PolarHBondContact O-N 2.78Å; A120-A122 PolarHBondContact O-N 2.87Å; A122-E126 WeakPolarHBondContact O-CB 3.27Å; A122-E126 WeakPolarHBondContact O-CG 3.45Å; A122-E126 PolarHBondContact O-N 2.91Å; A122-E126 VanDerWaalsContact O-N 3.08Å; A122-A471 HydrophobicContact CB-CB 4.17Å; A122-I474 HydrophobicContact CB-CB 4.37Å; A122-I474 HydrophobicContact CB-CD1 4.35Å; A122-I474 HydrophobicContact CB-CG1 3.67Å; A122-I474 HydrophobicContact CB-CG2 4.39Å
123	I	97.8	Very high	93.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-42.4	178.4	-64	168.7	0	0	0	110.7	L119 A120 R121 G127 I467 I468 A471 A533 A536	L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.87Å; A120-I123 PolarHBondContact O-N 3.41Å; R121-I123 PolarHBondContact O-N 3.09Å; I123-G127 WeakPolarHBondContact O-CA 3.35Å; I123-G127 PolarHBondContact O-N 3.12Å; I123-I467 HydrophobicContact CB-CG2 4.34Å; I123-I467 HydrophobicContact CG1-CG2 4.36Å; I123-I467 HydrophobicContact CG2-CG2 4.07Å; I123-I468 HydrophobicContact CD1-CD1 3.65Å; I123-I468 HydrophobicContact CG1-CD1 4.01Å; I123-A471 HydrophobicContact CD1-CB 4.42Å; I123-A471 HydrophobicContact CG1-CB 3.73Å; I123-A533 HydrophobicContact CD1-CB 3.8Å; I123-A536 HydrophobicContact CB-CB 3.8Å; I123-A536 HydrophobicContact CG2-CB 3.69Å
124	A	96	Very high	92.5	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-46.4	178.7	0	0	0	0	0	111.8	V44 A120 R121 G127 F128 A536 L539	V44-A124 HydrophobicContact CG1-CB 4.43Å; A120-A124 VanDerWaalsContact O-CB 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.48Å; R121-A124 PolarHBondContact O-N 3.23Å; A124-G127 PolarHBondContact O-N 2.9Å; A124-F128 WeakPolarHBondContact O-CD2 3.48Å; A124-F128 WeakPolarHBondContact O-CG 3.45Å; A124-F128 PolarHBondContact O-N 3.5Å; A124-A536 HydrophobicContact CB-CB 4.2Å; A124-L539 HydrophobicContact CB-CD2 4.43Å
125	K	95.1	Very high	92.2	Very high	98 Å²	98	33 Å²	33	43%	0.426	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-53.9	179.6	-176.7	171.5	-178.7	170	0	111.9	L41 R121 G127 F128 D129	L41-K125 HydrophobicContact CD1-CB 4.11Å; L41-K125 HydrophobicContact CD2-CG 4.42Å; R121-K125 VanDerWaalsContact O-CB 3.3Å; R121-K125 WeakPolarHBondContact O-CB 3.42Å; R121-K125 PolarHBondContact O-N 2.87Å; K125-G127 VanDerWaalsContact C-N 3.28Å; K125-G127 PolarHBondContact O-N 3.1Å; K125-F128 PolarHBondContact O-N 2.72Å; K125-D129 PolarHBondContact O-N 3.1Å
126	E	93.6	Very high	92	Very high	48 Å²	48	34.5 Å²	34.5	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-34.2	178.4	-68.6	-77.3	164.8	0	0	111.7	A122 N130 I467 R470	A122-E126 WeakPolarHBondContact O-CB 3.27Å; A122-E126 WeakPolarHBondContact O-CG 3.45Å; A122-E126 PolarHBondContact O-N 2.91Å; A122-E126 VanDerWaalsContact O-N 3.08Å; E126-N130 PolarHBondContact O-N 2.89Å; E126-N130 PolarHBondContact O-ND2 3.39Å; E126-I467 HydrophobicContact CB-CB 4.44Å; E126-I467 HydrophobicContact CB-CG1 3.98Å; E126-I467 HydrophobicContact CB-CG2 4.02Å; E126-R470 IonicContact OE1-NH1 2.76Å; E126-R470 IonicContact OE2-CZ 3.65Å; E126-R470 IonicContact OE2-NH1 3.7Å; E126-R470 PolarHBondContact OE2-NH1 3.26Å
127	G	92.6	Very high	91.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-52.4	173.7	0	0	0	0	0	112.4	I123 A124 K125 D129 N130 I131	I123-G127 WeakPolarHBondContact O-CA 3.35Å; I123-G127 PolarHBondContact O-N 3.12Å; A124-G127 PolarHBondContact O-N 2.9Å; K125-G127 VanDerWaalsContact C-N 3.28Å; K125-G127 PolarHBondContact O-N 3.1Å; G127-D129 VanDerWaalsContact C-N 3.33Å; G127-D129 PolarHBondContact O-N 3.47Å; G127-N130 PolarHBondContact O-N 3.37Å; G127-I131 WeakPolarHBondContact O-CD1 3.26Å; G127-I131 VanDerWaalsContact O-CG1 3.24Å; G127-I131 WeakPolarHBondContact O-CG1 3.26Å; G127-I131 PolarHBondContact O-N 3.26Å; G127-I131 VanDerWaalsContact O-N 3.11Å
128	F	91.2	Very high	91.7	Very high	11 Å²	11	39.2 Å²	39.2	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-38.5	179.1	-69.6	-30.6	0	0	0	113	R37 M40 L41 A124 K125 N130 I131 S132 L539	R37-F128 HydrophobicContact CB-CD1 4.06Å; R37-F128 HydrophobicContact CB-CD2 4.44Å; R37-F128 HydrophobicContact CB-CE1 4.06Å; R37-F128 HydrophobicContact CB-CE2 4.47Å; R37-F128 HydrophobicContact CB-CG 4.22Å; R37-F128 HydrophobicContact CB-CZ 4.27Å; R37-F128 HydrophobicContact CG-CD1 3.79Å; R37-F128 HydrophobicContact CG-CE1 3.61Å; R37-F128 HydrophobicContact CG-CG 4.45Å; R37-F128 HydrophobicContact CG-CZ 4.18Å; M40-F128 HydrophobicContact CE-CZ 4.26Å; L41-F128 HydrophobicContact CB-CD2 3.89Å; L41-F128 HydrophobicContact CB-CE2 3.94Å; L41-F128 HydrophobicContact CD1-CD2 4.06Å; L41-F128 HydrophobicContact CD1-CE2 4.35Å; L41-F128 HydrophobicContact CD2-CD2 4.21Å; L41-F128 HydrophobicContact CG-CD2 4.27Å; A124-F128 WeakPolarHBondContact O-CD2 3.48Å; A124-F128 WeakPolarHBondContact O-CG 3.45Å; A124-F128 PolarHBondContact O-N 3.5Å; K125-F128 PolarHBondContact O-N 2.72Å; F128-N130 VanDerWaalsContact C-N 3.34Å; F128-N130 PolarHBondContact O-N 3.27Å; F128-I131 PolarHBondContact O-N 2.94Å; F128-S132 PolarHBondContact O-N 2.82Å; F128-L539 HydrophobicContact CE1-CG 4.4Å; F128-L539 HydrophobicContact CE2-CG 4.5Å; F128-L539 HydrophobicContact CZ-CD1 3.97Å; F128-L539 HydrophobicContact CZ-CD2 4.26Å; F128-L539 HydrophobicContact CZ-CG 3.71Å
129	D	89.4	Confident	91.6	Very high	73 Å²	73	40.3 Å²	40.3	39%	0.39	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-38.2	178.2	-74.6	-13.9	0	0	0	112.1	K125 G127 S132	K125-D129 PolarHBondContact O-N 3.1Å; G127-D129 VanDerWaalsContact C-N 3.33Å; G127-D129 PolarHBondContact O-N 3.47Å; D129-S132 PolarHBondContact O-OG 2.81Å
130	N	87.8	Confident	91.6	Very high	23 Å²	23	40.4 Å²	40.4	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-78.5	-29.9	179.8	-73.4	-66.8	0	0	0	113.2	E126 G127 F128 S132 K133 I140 I463	E126-N130 PolarHBondContact O-N 2.89Å; E126-N130 PolarHBondContact O-ND2 3.39Å; G127-N130 PolarHBondContact O-N 3.37Å; F128-N130 VanDerWaalsContact C-N 3.34Å; F128-N130 PolarHBondContact O-N 3.27Å; N130-S132 VanDerWaalsContact C-N 3.32Å; N130-S132 PolarHBondContact O-N 2.78Å; N130-K133 WeakPolarHBondContact O-CB 3.46Å; N130-K133 PolarHBondContact O-N 2.89Å; N130-K133 VanDerWaalsContact O-N 3.17Å; N130-I140 HydrophobicContact CB-CD1 4.44Å; N130-I463 HydrophobicContact CB-CG2 3.65Å
131	I	85.9	Confident	91.5	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.072	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-34.8	176.7	-68.2	167.6	0	0	0	111.2	G127 F128 K133 G134 P137 I140 S540	G127-I131 WeakPolarHBondContact O-CD1 3.26Å; G127-I131 VanDerWaalsContact O-CG1 3.24Å; G127-I131 WeakPolarHBondContact O-CG1 3.26Å; G127-I131 PolarHBondContact O-N 3.26Å; G127-I131 VanDerWaalsContact O-N 3.11Å; F128-I131 PolarHBondContact O-N 2.94Å; I131-K133 PolarHBondContact O-N 2.77Å; I131-G134 PolarHBondContact O-N 2.92Å; I131-P137 HydrophobicContact CD1-CB 3.66Å; I131-P137 HydrophobicContact CD1-CG 3.82Å; I131-P137 HydrophobicContact CG1-CB 4.1Å; I131-P137 HydrophobicContact CG1-CG 3.9Å; I131-P137 HydrophobicContact CG2-CG 3.94Å; I131-I140 HydrophobicContact CG1-CD1 4.05Å; I131-S540 WeakPolarHBondContact CD1-O 3.46Å
132	S	72.6	Confident	91.5	Very high	84 Å²	84	48.4 Å²	48.4	59%	0.587	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.3	174.3	74.5	0	0	0	0	113.7	F128 D129 N130	F128-S132 PolarHBondContact O-N 2.82Å; D129-S132 PolarHBondContact O-OG 2.81Å; N130-S132 VanDerWaalsContact C-N 3.32Å; N130-S132 PolarHBondContact O-N 2.78Å
133	K	78.6	Confident	91.5	Very high	159 Å²	159	47.9 Å²	47.9	69%	0.691	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	8.1	178.6	-58.4	174.1	-172.5	166.8	0	113.7	N130 I131	N130-K133 WeakPolarHBondContact O-CB 3.46Å; N130-K133 PolarHBondContact O-N 2.89Å; N130-K133 VanDerWaalsContact O-N 3.17Å; I131-K133 PolarHBondContact O-N 2.77Å
134	G	79.4	Confident	91.5	Very high	73 Å²	73	47.9 Å²	47.9	75%	0.753	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	11.5	176.3	0	0	0	0	0	115.3	I131	I131-G134 PolarHBondContact O-N 2.92Å
135	A	90.4	Very high	91.6	Very high	15 Å²	15	51.1 Å²	51.1	12%	0.124	27%	0.271	C	S	.	.			trans	-72.8	151.1	176.6	0	0	0	0	0	112.1	P137 I140 D460 I463	A135-P137 VanDerWaalsContact O-CD 3.25Å; A135-P137 WeakPolarHBondContact O-CD 3.4Å; A135-I140 HydrophobicContact CB-CD1 3.62Å; A135-I140 HydrophobicContact CB-CG1 4.48Å; A135-D460 WeakPolarHBondContact CB-OD1 3.27Å; A135-I463 HydrophobicContact CB-CD1 3.98Å
136	N	94.4	Very high	91.7	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	27%	0.265	S	S	.	.			trans	-77.5	112.9	177.7	-176.9	-14.7	0	0	0	111.2	V138 E139 I140 D460	N136-V138 PolarHBondContact O-N 3.03Å; N136-V138 PolarHBondContact OD1-N 2.83Å; N136-E139 HydrophobicContact CB-CB 4.2Å; N136-E139 HydrophobicContact CB-CG 4.29Å; N136-E139 PolarHBondContact O-N 3.03Å; N136-I140 WeakPolarHBondContact O-CG1 3.41Å; N136-I140 PolarHBondContact O-N 2.84Å; N136-D460 WeakPolarHBondContact CB-OD2 3.35Å; N136-D460 PolarHBondContact N-OD2 3.45Å
137	P	94.3	Very high	91.9	Very high	26 Å²	26	47.1 Å²	47.1	17%	0.169	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-31.5	-176.9	-21.3	32.1	0	0	0	113.9	I131 A135 R141 T541	I131-P137 HydrophobicContact CD1-CB 3.66Å; I131-P137 HydrophobicContact CD1-CG 3.82Å; I131-P137 HydrophobicContact CG1-CB 4.1Å; I131-P137 HydrophobicContact CG1-CG 3.9Å; I131-P137 HydrophobicContact CG2-CG 3.94Å; A135-P137 VanDerWaalsContact O-CD 3.25Å; A135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-R141 PolarHBondContact O-N 2.81Å; P137-T541 HydrophobicContact CB-CG2 4.03Å
138	V	96.1	Very high	92.2	Very high	72 Å²	72	47.2 Å²	47.2	44%	0.436	26%	0.255	S	S	.	.	H	α-helix	trans	-72.4	-40.4	-178	-179.8	0	0	0	0	110.8	N136 R141 R142	N136-V138 PolarHBondContact O-N 3.03Å; N136-V138 PolarHBondContact OD1-N 2.83Å; V138-R141 PolarHBondContact O-N 3.07Å; V138-R142 WeakPolarHBondContact O-CG 3.11Å; V138-R142 PolarHBondContact O-N 3.48Å
139	E	97.2	Very high	92.5	Very high	24 Å²	24	52.6 Å²	52.6	11%	0.112	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-36.5	174.9	-71.1	-60.1	132.6	0	0	111.8	N136 R141 R142 G143 N458 D460 Q461	N136-E139 HydrophobicContact CB-CB 4.2Å; N136-E139 HydrophobicContact CB-CG 4.29Å; N136-E139 PolarHBondContact O-N 3.03Å; E139-R141 VanDerWaalsContact C-N 3.35Å; E139-R141 PolarHBondContact O-N 3.49Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.38Å; E139-R142 IonicContact OE1-CZ 3.47Å; E139-R142 IonicContact OE1-NE 3.8Å; E139-R142 IonicContact OE1-NH1 2.63Å; E139-R142 PolarHBondContact OE1-NH1 2.74Å; E139-G143 PolarHBondContact O-N 2.87Å; E139-N458 PolarHBondContact OE2-ND2 3.31Å; E139-D460 HydrophobicContact CB-CB 3.49Å; E139-D460 VanDerWaalsContact CB-CB 3.49Å; E139-Q461 WeakPolarHBondContact O-CG 3.34Å; E139-Q461 PolarHBondContact OE2-NE2 3.04Å
140	I	96.6	Very high	92.9	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-49.1	170.3	-69.2	169	0	0	0	110.2	N130 I131 A135 N136 R142 G143 V144 D460 I463 I467	N130-I140 HydrophobicContact CB-CD1 4.44Å; I131-I140 HydrophobicContact CG1-CD1 4.05Å; A135-I140 HydrophobicContact CB-CD1 3.62Å; A135-I140 HydrophobicContact CB-CG1 4.48Å; N136-I140 WeakPolarHBondContact O-CG1 3.41Å; N136-I140 PolarHBondContact O-N 2.84Å; I140-R142 VanDerWaalsContact C-N 3.29Å; I140-R142 PolarHBondContact O-N 3.41Å; I140-G143 PolarHBondContact O-N 3.27Å; I140-G143 VanDerWaalsContact O-N 3.11Å; I140-V144 HydrophobicContact CG2-CG2 4.33Å; I140-V144 WeakPolarHBondContact O-CG2 3.4Å; I140-V144 PolarHBondContact O-N 3.35Å; I140-D460 HydrophobicContact CG1-CB 4.22Å; I140-D460 WeakPolarHBondContact CG1-O 3.36Å; I140-I463 HydrophobicContact CD1-CG2 4.07Å; I140-I463 HydrophobicContact CG1-CB 4.3Å; I140-I463 HydrophobicContact CG1-CG2 4.07Å; I140-I467 HydrophobicContact CG2-CD1 3.59Å
141	R	97.1	Very high	93.4	Very high	71 Å²	71	49.7 Å²	49.7	27%	0.268	27%	0.266	S	S	.	.	H	α-helix	trans	-56.7	-42.5	176.6	173.4	174.2	174.2	90.8	-8.9	111.7	P137 V138 E139 V144 M145 G534 S537 L538 T541	P137-R141 PolarHBondContact O-N 2.81Å; V138-R141 PolarHBondContact O-N 3.07Å; E139-R141 VanDerWaalsContact C-N 3.35Å; E139-R141 PolarHBondContact O-N 3.49Å; R141-V144 PolarHBondContact O-N 3.13Å; R141-M145 HydrophobicContact CG-CG 4.46Å; R141-M145 WeakPolarHBondContact O-CG 3.32Å; R141-M145 PolarHBondContact O-N 3.37Å; R141-G534 PolarHBondContact NH1-O 2.86Å; R141-S537 PolarHBondContact NH1-OG 3.3Å; R141-L538 VanDerWaalsContact NH1-CB 3.34Å; R141-T541 HydrophobicContact CB-CG2 4.4Å
142	R	97.3	Very high	94	Very high	139 Å²	139	49.9 Å²	49.9	53%	0.525	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-46.9	175.2	-71.7	173.9	177.8	176.4	-4	111.4	V138 E139 I140 V144 M145 M146 Q461	V138-R142 WeakPolarHBondContact O-CG 3.11Å; V138-R142 PolarHBondContact O-N 3.48Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.38Å; E139-R142 IonicContact OE1-CZ 3.47Å; E139-R142 IonicContact OE1-NE 3.8Å; E139-R142 IonicContact OE1-NH1 2.63Å; E139-R142 PolarHBondContact OE1-NH1 2.74Å; I140-R142 VanDerWaalsContact C-N 3.29Å; I140-R142 PolarHBondContact O-N 3.41Å; R142-V144 PolarHBondContact O-N 3.03Å; R142-M145 PolarHBondContact O-N 3.35Å; R142-M146 VanDerWaalsContact O-CG 3.3Å; R142-M146 WeakPolarHBondContact O-CG 3.11Å; R142-M146 PolarHBondContact O-N 3.24Å; R142-Q461 HydrophobicContact CB-CG 4.43Å
143	G	97.6	Very high	95.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-41.6	175.8	0	0	0	0	0	113.5	E139 I140 M146 A147 Q461	E139-G143 PolarHBondContact O-N 2.87Å; I140-G143 PolarHBondContact O-N 3.27Å; I140-G143 VanDerWaalsContact O-N 3.11Å; G143-M146 PolarHBondContact O-N 2.98Å; G143-A147 WeakPolarHBondContact O-CB 3.46Å; G143-A147 PolarHBondContact O-N 3.44Å; G143-Q461 WeakPolarHBondContact CA-O 3.38Å
144	V	98.1	Very high	96	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-50.6	174.4	167.1	0	0	0	0	110.9	I140 R141 R142 M146 A147 V148 G464 I467 I468 A533	I140-V144 HydrophobicContact CG2-CG2 4.33Å; I140-V144 WeakPolarHBondContact O-CG2 3.4Å; I140-V144 PolarHBondContact O-N 3.35Å; R141-V144 PolarHBondContact O-N 3.13Å; R142-V144 PolarHBondContact O-N 3.03Å; V144-M146 PolarHBondContact O-N 2.97Å; V144-A147 PolarHBondContact O-N 2.94Å; V144-V148 HydrophobicContact CG1-CG2 4.39Å; V144-V148 VanDerWaalsContact O-CG2 3.3Å; V144-V148 WeakPolarHBondContact O-CG2 3.25Å; V144-V148 PolarHBondContact O-N 2.88Å; V144-G464 WeakPolarHBondContact CG2-O 3.24Å; V144-I467 HydrophobicContact CG2-CB 4.47Å; V144-I467 HydrophobicContact CG2-CG2 4.48Å; V144-I468 HydrophobicContact CB-CG1 4.4Å; V144-I468 HydrophobicContact CG1-CD1 3.85Å; V144-I468 HydrophobicContact CG1-CG1 3.96Å; V144-I468 HydrophobicContact CG2-CG1 4.46Å; V144-A533 HydrophobicContact CG1-CB 4.05Å
145	M	98	Very high	96.8	Very high	71 Å²	71	40.9 Å²	40.9	35%	0.35	20%	0.201	S	C	.	.	H	α-helix	trans	-64.3	-39	-178.4	-64.9	-55.4	-63	0	0	112.1	R141 R142 A147 V148 E149	R141-M145 HydrophobicContact CG-CG 4.46Å; R141-M145 WeakPolarHBondContact O-CG 3.32Å; R141-M145 PolarHBondContact O-N 3.37Å; R142-M145 PolarHBondContact O-N 3.35Å; M145-A147 PolarHBondContact O-N 2.8Å; M145-V148 PolarHBondContact O-N 2.92Å; M145-E149 PolarHBondContact O-N 3.37Å
146	M	97.8	Very high	97.1	Very high	61 Å²	61	45.6 Å²	45.6	30%	0.3	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-41.7	174.1	-70.5	170.8	61.2	0	0	112.3	R142 G143 V144 T150 L454	R142-M146 VanDerWaalsContact O-CG 3.3Å; R142-M146 WeakPolarHBondContact O-CG 3.11Å; R142-M146 PolarHBondContact O-N 3.24Å; G143-M146 PolarHBondContact O-N 2.98Å; V144-M146 PolarHBondContact O-N 2.97Å; M146-T150 PolarHBondContact O-N 2.85Å; M146-T150 VanDerWaalsContact O-N 3.08Å; M146-T150 PolarHBondContact O-OG1 2.91Å; M146-L454 HydrophobicContact CB-CD2 4.34Å; M146-L454 HydrophobicContact CE-CD1 4.43Å
147	A	98.2	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-43.1	176.5	0	0	0	0	0	111.6	G143 V144 M145 T150 V151 L451 L454 V465 I468	G143-A147 WeakPolarHBondContact O-CB 3.46Å; G143-A147 PolarHBondContact O-N 3.44Å; V144-A147 PolarHBondContact O-N 2.94Å; M145-A147 PolarHBondContact O-N 2.8Å; A147-T150 WeakPolarHBondContact O-CB 3.22Å; A147-T150 PolarHBondContact O-N 2.83Å; A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.42Å; A147-V151 PolarHBondContact O-N 2.7Å; A147-L451 HydrophobicContact CB-CD2 3.72Å; A147-L454 HydrophobicContact CB-CD2 4.29Å; A147-V465 HydrophobicContact CB-CB 4.43Å; A147-V465 HydrophobicContact CB-CG1 4.38Å; A147-V465 HydrophobicContact CB-CG2 4.23Å; A147-I468 HydrophobicContact CB-CB 3.84Å; A147-I468 HydrophobicContact CB-CG1 3.91Å; A147-I468 HydrophobicContact CB-CG2 4Å
148	V	98.1	Very high	97.2	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-47.6	176.4	170.4	0	0	0	0	111.1	V144 M145 T150 V151 I152 I468 L529 A533	V144-V148 HydrophobicContact CG1-CG2 4.39Å; V144-V148 VanDerWaalsContact O-CG2 3.3Å; V144-V148 WeakPolarHBondContact O-CG2 3.25Å; V144-V148 PolarHBondContact O-N 2.88Å; M145-V148 PolarHBondContact O-N 2.92Å; V148-T150 VanDerWaalsContact C-N 3.29Å; V148-T150 PolarHBondContact O-N 2.85Å; V148-V151 PolarHBondContact O-N 2.94Å; V148-I152 HydrophobicContact CG1-CD1 3.64Å; V148-I152 HydrophobicContact CG1-CG1 4.25Å; V148-I152 VanDerWaalsContact O-CG1 3.27Å; V148-I152 WeakPolarHBondContact O-CG1 3.36Å; V148-I152 PolarHBondContact O-N 3.36Å; V148-I468 HydrophobicContact CG2-CD1 3.91Å; V148-I468 HydrophobicContact CG2-CG1 4.17Å; V148-L529 HydrophobicContact CG1-CG 4.34Å; V148-L529 HydrophobicContact CG2-CG 4.41Å; V148-A533 HydrophobicContact CG2-CB 3.45Å; V148-A533 VanDerWaalsContact CG2-CB 3.45Å
149	E	97.8	Very high	97.2	Very high	125 Å²	125	49.3 Å²	49.3	58%	0.584	23%	0.229	S	C	*	.	H	α-helix	trans	-58.8	-43	177.3	-175.3	177	-172.2	0	0	111.7	M145 V151 I152 N153	M145-E149 PolarHBondContact O-N 3.37Å; E149-V151 PolarHBondContact O-N 3.02Å; E149-I152 PolarHBondContact O-N 3.15Å; E149-N153 WeakPolarHBondContact O-CB 3.46Å; E149-N153 VanDerWaalsContact O-CG 3.28Å; E149-N153 PolarHBondContact O-N 3.5Å; E149-N153 PolarHBondContact O-ND2 3.02Å
150	T	98.1	Very high	97.1	Very high	35 Å²	35	54.1 Å²	54.1	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-45.1	176.1	-56.7	0	0	0	0	111.6	M146 A147 V148 N153 E154 A450 L451	M146-T150 PolarHBondContact O-N 2.85Å; M146-T150 VanDerWaalsContact O-N 3.08Å; M146-T150 PolarHBondContact O-OG1 2.91Å; A147-T150 WeakPolarHBondContact O-CB 3.22Å; A147-T150 PolarHBondContact O-N 2.83Å; V148-T150 VanDerWaalsContact C-N 3.29Å; V148-T150 PolarHBondContact O-N 2.85Å; T150-N153 PolarHBondContact O-N 2.9Å; T150-E154 PolarHBondContact O-N 3.11Å; T150-A450 HydrophobicContact CG2-CB 4.15Å; T150-L451 HydrophobicContact CG2-CD2 4.4Å
151	V	98.1	Very high	97	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-43.4	178	170.1	0	0	0	0	111.4	A147 V148 E149 N153 E154 L155 L444 C447 L451 I468 L472 L529	A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.42Å; A147-V151 PolarHBondContact O-N 2.7Å; V148-V151 PolarHBondContact O-N 2.94Å; E149-V151 PolarHBondContact O-N 3.02Å; V151-N153 VanDerWaalsContact C-N 3.33Å; V151-N153 PolarHBondContact O-N 3.25Å; V151-E154 PolarHBondContact O-N 3.37Å; V151-E154 VanDerWaalsContact O-N 3.16Å; V151-L155 HydrophobicContact CG1-CD1 4.14Å; V151-L155 HydrophobicContact CG1-CG 4.34Å; V151-L155 WeakPolarHBondContact O-CG 3.17Å; V151-L155 PolarHBondContact O-N 3.45Å; V151-L444 HydrophobicContact CG1-CD2 4.48Å; V151-C447 HydrophobicContact CB-CB 4.36Å; V151-C447 HydrophobicContact CG1-CB 3.76Å; V151-C447 HydrophobicContact CG2-CB 4.23Å; V151-L451 HydrophobicContact CG2-CD1 4.35Å; V151-L451 HydrophobicContact CG2-CD2 3.87Å; V151-L451 HydrophobicContact CG2-CG 4.21Å; V151-I468 HydrophobicContact CG2-CG2 4.39Å; V151-L472 HydrophobicContact CG1-CD2 4.1Å; V151-L472 HydrophobicContact CG2-CD1 3.85Å; V151-L472 HydrophobicContact CG2-CD2 4.49Å; V151-L529 HydrophobicContact CB-CD2 4.01Å; V151-L529 HydrophobicContact CG1-CD2 3.44Å; V151-L529 VanDerWaalsContact CG1-CD2 3.44Å
152	I	97.4	Very high	96.7	Very high	18 Å²	18	55.7 Å²	55.7	9%	0.092	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-42.9	178.3	-69.6	173.4	0	0	0	110.9	V148 E149 E154 L155 K156 R526 M530	V148-I152 HydrophobicContact CG1-CD1 3.64Å; V148-I152 HydrophobicContact CG1-CG1 4.25Å; V148-I152 VanDerWaalsContact O-CG1 3.27Å; V148-I152 WeakPolarHBondContact O-CG1 3.36Å; V148-I152 PolarHBondContact O-N 3.36Å; E149-I152 PolarHBondContact O-N 3.15Å; I152-E154 VanDerWaalsContact C-N 3.28Å; I152-E154 PolarHBondContact O-N 2.98Å; I152-L155 PolarHBondContact O-N 2.9Å; I152-K156 WeakPolarHBondContact O-CG 3.43Å; I152-K156 PolarHBondContact O-N 2.95Å; I152-R526 HydrophobicContact CB-CG 4.5Å; I152-R526 HydrophobicContact CD1-CG 4Å; I152-R526 HydrophobicContact CG1-CG 3.97Å; I152-R526 HydrophobicContact CG2-CG 3.81Å; I152-M530 HydrophobicContact CD1-CB 4.17Å; I152-M530 HydrophobicContact CD1-CG 4.42Å
153	N	97.1	Very high	96.2	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-37	176.3	-72.6	-28.6	0	0	0	111.6	E149 T150 V151 K157	E149-N153 WeakPolarHBondContact O-CB 3.46Å; E149-N153 VanDerWaalsContact O-CG 3.28Å; E149-N153 PolarHBondContact O-N 3.5Å; E149-N153 PolarHBondContact O-ND2 3.02Å; T150-N153 PolarHBondContact O-N 2.9Å; V151-N153 VanDerWaalsContact C-N 3.33Å; V151-N153 PolarHBondContact O-N 3.25Å; N153-K157 WeakPolarHBondContact O-CG 3.4Å; N153-K157 PolarHBondContact O-N 2.97Å
154	E	97.2	Very high	95.8	Very high	49 Å²	49	55.7 Å²	55.7	23%	0.229	29%	0.285	C	S	.	.	H	α-helix	trans	-70.8	-41.5	175.2	-163.3	61.1	-158.8	0	0	112.4	T150 V151 I152 K156 K157 L158 C447 A450	T150-E154 PolarHBondContact O-N 3.11Å; V151-E154 PolarHBondContact O-N 3.37Å; V151-E154 VanDerWaalsContact O-N 3.16Å; I152-E154 VanDerWaalsContact C-N 3.28Å; I152-E154 PolarHBondContact O-N 2.98Å; E154-K156 VanDerWaalsContact C-N 3.27Å; E154-K156 PolarHBondContact O-N 3.26Å; E154-K157 WeakPolarHBondContact O-CB 3.37Å; E154-K157 PolarHBondContact O-N 3.19Å; E154-K157 WeakPolarHBondContact OE2-CD 3.34Å; E154-K157 IonicContact OE2-NZ 3.73Å; E154-K157 PolarHBondContact OE2-NZ 2.97Å; E154-L158 WeakPolarHBondContact O-CG 3.39Å; E154-L158 PolarHBondContact O-N 3.11Å; E154-C447 HydrophobicContact CB-CB 4.45Å; E154-A450 HydrophobicContact CB-CB 4.19Å; E154-A450 HydrophobicContact CG-CB 4.04Å
155	L	96.8	Very high	95.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-55.9	-42.5	173.7	-77	171.9	0	0	0	111.6	V151 I152 K157 L158 S159 A443 L444 V525	V151-L155 HydrophobicContact CG1-CD1 4.14Å; V151-L155 HydrophobicContact CG1-CG 4.34Å; V151-L155 WeakPolarHBondContact O-CG 3.17Å; V151-L155 PolarHBondContact O-N 3.45Å; I152-L155 PolarHBondContact O-N 2.9Å; L155-K157 VanDerWaalsContact C-N 3.29Å; L155-K157 PolarHBondContact O-N 2.81Å; L155-L158 PolarHBondContact O-N 3.12Å; L155-S159 PolarHBondContact O-N 3.32Å; L155-A443 HydrophobicContact CD2-CB 3.78Å; L155-L444 HydrophobicContact CD1-CD2 4.26Å; L155-V525 HydrophobicContact CD1-CG1 3.93Å; L155-V525 HydrophobicContact CD2-CG1 4.15Å
156	K	96	Very high	94.9	Very high	114 Å²	114	59.6 Å²	59.6	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-33.1	176.2	-73.6	179	178.6	-178.5	0	113	I152 E154 S159	I152-K156 WeakPolarHBondContact O-CG 3.43Å; I152-K156 PolarHBondContact O-N 2.95Å; E154-K156 VanDerWaalsContact C-N 3.27Å; E154-K156 PolarHBondContact O-N 3.26Å; K156-S159 WeakPolarHBondContact O-CB 3.43Å
157	K	96.6	Very high	94.5	Very high	153 Å²	153	58.6 Å²	58.6	67%	0.665	30%	0.3	S	S	*	.	H	α-helix	trans	-73.3	-34.5	174.6	-64.1	176.6	-156.6	157.3	0	112.5	N153 E154 L155 S159	N153-K157 WeakPolarHBondContact O-CG 3.4Å; N153-K157 PolarHBondContact O-N 2.97Å; E154-K157 WeakPolarHBondContact O-CB 3.37Å; E154-K157 PolarHBondContact O-N 3.19Å; E154-K157 WeakPolarHBondContact OE2-CD 3.34Å; E154-K157 IonicContact OE2-NZ 3.73Å; E154-K157 PolarHBondContact OE2-NZ 2.97Å; L155-K157 VanDerWaalsContact C-N 3.29Å; L155-K157 PolarHBondContact O-N 2.81Å; K157-S159 VanDerWaalsContact C-N 3.31Å
158	L	94.5	Very high	94.2	Very high	67 Å²	67	59 Å²	59	35%	0.351	30%	0.302	S	S	.	.	H	α-helix	trans	-75.3	-22.2	176.5	-64.7	176.2	0	0	0	112.5	E154 L155 V437 R446	E154-L158 WeakPolarHBondContact O-CG 3.39Å; E154-L158 PolarHBondContact O-N 3.11Å; L155-L158 PolarHBondContact O-N 3.12Å; L158-V437 HydrophobicContact CB-CG1 4.32Å; L158-R446 HydrophobicContact CD1-CB 4.01Å
159	S	96.6	Very high	93.9	Very high	25 Å²	25	59.4 Å²	59.4	18%	0.175	31%	0.306	C	S	.	.			trans	-61.8	137.3	-178.8	-169	0	0	0	0	112.1	L155 K156 K157 E434 I436 T522	L155-S159 PolarHBondContact O-N 3.32Å; K156-S159 WeakPolarHBondContact O-CB 3.43Å; K157-S159 VanDerWaalsContact C-N 3.31Å; S159-E434 PolarHBondContact OG-O 3.03Å; S159-I436 WeakPolarHBondContact CA-O 3.3Å; S159-T522 WeakPolarHBondContact CB-OG1 2.91Å; S159-T522 PolarHBondContact OG-OG1 3.46Å
160	K	94.6	Very high	93.7	Very high	125 Å²	125	56.5 Å²	56.5	54%	0.543	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-116.3	131.6	172.3	-65.1	-179.7	-177.6	177	0	109.5	G435 I436	K160-G435 CarbonylContact O-C 3.57Å; K160-G435 VanDerWaalsContact O-CA 3.24Å; K160-G435 WeakPolarHBondContact O-CA 3.4Å; K160-I436 HydrophobicContact CB-CG1 4.46Å; K160-I436 PolarHBondContact N-O 2.92Å; K160-I436 VanDerWaalsContact O-CG1 3.28Å; K160-I436 WeakPolarHBondContact O-CG1 3.46Å; K160-I436 PolarHBondContact O-N 3.04Å
161	P	94.8	Very high	93.4	Very high	99 Å²	99	54.9 Å²	54.9	64%	0.643	28%	0.283	S	S	*	.			trans	-61.3	141.2	174.9	-22.7	33.4	0	0	0	111.8	T163	P161-T163 PolarHBondContact O-N 3.25Å
162	V	90.9	Very high	93.3	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.042	28%	0.283	C	S	.	.			trans	-76.5	120.2	174.3	178.5	0	0	0	0	109.7	E167 I168 R195 A431 I436	V162-E167 HydrophobicContact CG1-CB 3.86Å; V162-I168 HydrophobicContact CG1-CD1 4.44Å; V162-I168 HydrophobicContact CG1-CG1 3.62Å; V162-R195 PolarHBondContact O-NH1 3.27Å; V162-A431 HydrophobicContact CG2-CB 3.98Å; V162-A431 WeakPolarHBondContact CG2-O 3.39Å; V162-I436 HydrophobicContact CG2-CB 4.36Å; V162-I436 HydrophobicContact CG2-CD1 4.3Å; V162-I436 HydrophobicContact CG2-CG1 4.05Å; V162-I436 HydrophobicContact CG2-CG2 3.51Å
163	T	86.1	Confident	93.1	Very high	91 Å²	91	55.1 Å²	55.1	56%	0.558	29%	0.285	S	S	*	.			trans	-115.9	-32.3	-175	58.8	0	0	0	0	112.5	P161 E167 R195	P161-T163 PolarHBondContact O-N 3.25Å; T163-E167 PolarHBondContact N-OE2 2.85Å; T163-E167 PolarHBondContact OG1-OE2 3.4Å; T163-R195 PolarHBondContact O-NH2 2.8Å
164	T	88.6	Confident	92.8	Very high	48 Å²	48	54.2 Å²	54.2	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-105.6	147.4	-173.5	67.3	0	0	0	0	111.8	E166 E167 I168	T164-E166 WeakPolarHBondContact CB-OE2 3.4Å; T164-E166 PolarHBondContact O-N 3.3Å; T164-E167 PolarHBondContact N-OE2 3.4Å; T164-E167 PolarHBondContact O-N 3.08Å; T164-E167 WeakPolarHBondContact OG1-CB 3.48Å; T164-E167 VanDerWaalsContact OG1-CD 3.25Å; T164-E167 WeakPolarHBondContact OG1-CG 3.39Å; T164-E167 PolarHBondContact OG1-N 3.06Å; T164-E167 PolarHBondContact OG1-OE2 2.95Å; T164-E167 VanDerWaalsContact OG1-OE2 3.05Å; T164-I168 PolarHBondContact O-N 2.84Å
165	P	87.6	Confident	92.5	Very high	43 Å²	43	53 Å²	53	28%	0.279	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-20.8	172.7	-18	30	0	0	0	114.3	I168 A169 S187 K191	P165-I168 PolarHBondContact O-N 2.86Å; P165-A169 PolarHBondContact O-N 3.36Å; P165-S187 PolarHBondContact O-OG 2.91Å; P165-K191 HydrophobicContact CB-CD 4.34Å; P165-K191 HydrophobicContact CB-CG 4.41Å
166	E	89.4	Confident	92.3	Very high	111 Å²	111	52.9 Å²	52.9	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-67.5	-43.2	174.4	-66	66.2	-141.6	0	0	110.6	T164 I168 A169 Q170	T164-E166 WeakPolarHBondContact CB-OE2 3.4Å; T164-E166 PolarHBondContact O-N 3.3Å; E166-I168 VanDerWaalsContact C-N 3.31Å; E166-I168 PolarHBondContact O-N 3.43Å; E166-A169 PolarHBondContact O-N 2.86Å; E166-Q170 VanDerWaalsContact O-CG 3.32Å; E166-Q170 WeakPolarHBondContact O-CG 3.37Å; E166-Q170 PolarHBondContact O-N 3.02Å
167	E	89.9	Confident	92	Very high	40 Å²	40	50.2 Å²	50.2	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-39.5	172.3	-74.3	162.9	154.6	0	0	111.5	V162 T163 T164 Q170 V171 I436	V162-E167 HydrophobicContact CG1-CB 3.86Å; T163-E167 PolarHBondContact N-OE2 2.85Å; T163-E167 PolarHBondContact OG1-OE2 3.4Å; T164-E167 PolarHBondContact N-OE2 3.4Å; T164-E167 PolarHBondContact O-N 3.08Å; T164-E167 WeakPolarHBondContact OG1-CB 3.48Å; T164-E167 VanDerWaalsContact OG1-CD 3.25Å; T164-E167 WeakPolarHBondContact OG1-CG 3.39Å; T164-E167 PolarHBondContact OG1-N 3.06Å; T164-E167 PolarHBondContact OG1-OE2 2.95Å; T164-E167 VanDerWaalsContact OG1-OE2 3.05Å; E167-Q170 PolarHBondContact O-N 2.73Å; E167-V171 WeakPolarHBondContact O-CG2 3.28Å; E167-V171 PolarHBondContact O-N 2.77Å; E167-I436 HydrophobicContact CG-CD1 4.41Å
168	I	91.3	Very high	91.6	Very high	9 Å²	9	45 Å²	45	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-45.3	174.8	-63.2	176	0	0	0	110.5	V162 T164 P165 E166 Q170 V171 A172 M190 T428 V432	V162-I168 HydrophobicContact CG1-CD1 4.44Å; V162-I168 HydrophobicContact CG1-CG1 3.62Å; T164-I168 PolarHBondContact O-N 2.84Å; P165-I168 PolarHBondContact O-N 2.86Å; E166-I168 VanDerWaalsContact C-N 3.31Å; E166-I168 PolarHBondContact O-N 3.43Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 2.99Å; I168-V171 PolarHBondContact O-N 2.94Å; I168-A172 WeakPolarHBondContact O-CB 3.5Å; I168-A172 PolarHBondContact O-N 3.44Å; I168-M190 HydrophobicContact CD1-SD 4.4Å; I168-M190 HydrophobicContact CG2-SD 3.57Å; I168-M190 VanDerWaalsContact CG2-SD 3.57Å; I168-T428 HydrophobicContact CG2-CG2 3.93Å; I168-T428 WeakPolarHBondContact O-CG2 3.39Å; I168-V432 HydrophobicContact CD1-CG2 4.42Å
169	A	93.6	Very high	91.4	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-38.2	177.8	0	0	0	0	0	111.7	P165 E166 A172 T173	P165-A169 PolarHBondContact O-N 3.36Å; E166-A169 PolarHBondContact O-N 2.86Å; A169-A172 PolarHBondContact O-N 2.83Å; A169-T173 VanDerWaalsContact O-CB 3.29Å; A169-T173 WeakPolarHBondContact O-CB 3.37Å; A169-T173 PolarHBondContact O-N 2.96Å; A169-T173 PolarHBondContact O-OG1 3.33Å
170	Q	91.8	Very high	91.3	Very high	64 Å²	64	46.1 Å²	46.1	30%	0.299	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-51.9	175.7	-74.4	172.5	-10.9	0	0	111.4	E166 E167 I168 A172 T173 I174 I519	E166-Q170 VanDerWaalsContact O-CG 3.32Å; E166-Q170 WeakPolarHBondContact O-CG 3.37Å; E166-Q170 PolarHBondContact O-N 3.02Å; E167-Q170 PolarHBondContact O-N 2.73Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 2.99Å; Q170-A172 VanDerWaalsContact C-N 3.32Å; Q170-A172 PolarHBondContact O-N 2.96Å; Q170-T173 PolarHBondContact O-N 2.94Å; Q170-T173 VanDerWaalsContact O-N 3.14Å; Q170-I174 WeakPolarHBondContact O-CG1 3.33Å; Q170-I174 PolarHBondContact O-N 3.07Å; Q170-I519 HydrophobicContact CB-CD1 4.06Å; Q170-I519 HydrophobicContact CB-CG1 4.4Å
171	V	93.3	Very high	91.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-55.4	-48.9	176.5	172.8	0	0	0	0	110.7	E167 I168 T173 I174 S175 A427 T428 A431 I436 I519 P521	E167-V171 WeakPolarHBondContact O-CG2 3.28Å; E167-V171 PolarHBondContact O-N 2.77Å; I168-V171 PolarHBondContact O-N 2.94Å; V171-T173 VanDerWaalsContact C-N 3.34Å; V171-T173 PolarHBondContact O-N 3.46Å; V171-I174 PolarHBondContact O-N 3.39Å; V171-S175 PolarHBondContact O-N 3.06Å; V171-A427 HydrophobicContact CG1-CB 4.13Å; V171-T428 HydrophobicContact CB-CG2 4.19Å; V171-T428 HydrophobicContact CG1-CG2 4.02Å; V171-A431 HydrophobicContact CG1-CB 4Å; V171-A431 HydrophobicContact CG2-CB 4.05Å; V171-I436 HydrophobicContact CG2-CG2 3.7Å; V171-I519 HydrophobicContact CG2-CD1 3.64Å; V171-I519 HydrophobicContact CG2-CG1 3.96Å; V171-P521 HydrophobicContact CG1-CG 3.91Å
172	A	94.5	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-42.2	178.5	0	0	0	0	0	112.5	I168 A169 Q170 A176 I186 A424 T428	I168-A172 WeakPolarHBondContact O-CB 3.5Å; I168-A172 PolarHBondContact O-N 3.44Å; A169-A172 PolarHBondContact O-N 2.83Å; Q170-A172 VanDerWaalsContact C-N 3.32Å; Q170-A172 PolarHBondContact O-N 2.96Å; A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 3.36Å; A172-I186 HydrophobicContact CB-CB 4.11Å; A172-I186 HydrophobicContact CB-CD1 4.08Å; A172-I186 HydrophobicContact CB-CG2 4.13Å; A172-A424 HydrophobicContact CB-CB 4.43Å; A172-A424 WeakPolarHBondContact O-CB 3.37Å; A172-T428 HydrophobicContact CB-CG2 3.56Å
173	T	93.9	Very high	91.3	Very high	23 Å²	23	41.6 Å²	41.6	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-45	179.6	-60.1	0	0	0	0	111.1	A169 Q170 V171 A176 N177 G178 D179 V180	A169-T173 VanDerWaalsContact O-CB 3.29Å; A169-T173 WeakPolarHBondContact O-CB 3.37Å; A169-T173 PolarHBondContact O-N 2.96Å; A169-T173 PolarHBondContact O-OG1 3.33Å; Q170-T173 PolarHBondContact O-N 2.94Å; Q170-T173 VanDerWaalsContact O-N 3.14Å; V171-T173 VanDerWaalsContact C-N 3.34Å; V171-T173 PolarHBondContact O-N 3.46Å; T173-A176 PolarHBondContact O-N 2.93Å; T173-N177 PolarHBondContact O-N 2.88Å; T173-G178 VanDerWaalsContact O-CA 3.3Å; T173-G178 WeakPolarHBondContact O-CA 3.46Å; T173-G178 PolarHBondContact O-N 2.81Å; T173-D179 PolarHBondContact O-N 2.99Å; T173-V180 HydrophobicContact CG2-CG2 3.88Å
174	I	91.3	Very high	91.7	Very high	57 Å²	57	41 Å²	41	29%	0.292	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-49.7	-179.8	-64.6	-59.5	0	0	0	110.6	Q170 V171 A176 N177 G517 I518	Q170-I174 WeakPolarHBondContact O-CG1 3.33Å; Q170-I174 PolarHBondContact O-N 3.07Å; V171-I174 PolarHBondContact O-N 3.39Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.43Å; I174-N177 PolarHBondContact O-N 3.28Å; I174-N177 VanDerWaalsContact O-N 3.07Å; I174-G517 VanDerWaalsContact CG1-O 3.25Å; I174-G517 WeakPolarHBondContact CG1-O 3.26Å; I174-I518 HydrophobicContact CD1-CG1 4.46Å
175	S	90.6	Very high	91.9	Very high	22 Å²	22	40.5 Å²	40.5	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-30.3	177.5	-69.9	0	0	0	0	112.6	D111 V171 N177 A427	D111-S175 PolarHBondContact OD2-OG 3.4Å; V171-S175 PolarHBondContact O-N 3.06Å; S175-N177 PolarHBondContact O-N 2.79Å; S175-N177 VanDerWaalsContact O-N 3.13Å; S175-A427 WeakPolarHBondContact OG-CB 3.39Å
176	A	92	Very high	92.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	14.8	173.5	0	0	0	0	0	114.1	A172 T173 I174 D179 I182 R420 A424	A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 3.36Å; T173-A176 PolarHBondContact O-N 2.93Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.43Å; A176-D179 HydrophobicContact CB-CB 3.95Å; A176-D179 WeakPolarHBondContact O-CB 3.5Å; A176-I182 HydrophobicContact CB-CB 3.88Å; A176-I182 HydrophobicContact CB-CD1 4.1Å; A176-I182 HydrophobicContact CB-CG2 3.59Å; A176-R420 PolarHBondContact O-NH1 2.95Å; A176-A424 HydrophobicContact CB-CB 3.95Å
177	N	89.5	Confident	92.4	Very high	57 Å²	57	33.4 Å²	33.4	31%	0.305	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	40.8	-179.3	-169	51.7	0	0	0	114.3	P57 K75 T173 I174 S175	P57-N177 WeakPolarHBondContact CA-OD1 3.41Å; P57-N177 PolarHBondContact O-OD1 3.42Å; K75-N177 PolarHBondContact NZ-ND2 2.86Å; K75-N177 PolarHBondContact NZ-OD1 3.29Å; T173-N177 PolarHBondContact O-N 2.88Å; I174-N177 PolarHBondContact O-N 3.28Å; I174-N177 VanDerWaalsContact O-N 3.07Å; S175-N177 PolarHBondContact O-N 2.79Å; S175-N177 VanDerWaalsContact O-N 3.13Å
178	G	88.4	Confident	92.4	Very high	43 Å²	43	35.1 Å²	35.1	44%	0.443	20%	0.198	S	C	.	.	S	Bend	trans	83.8	11.8	178.9	0	0	0	0	0	114.3	T173 V180	T173-G178 VanDerWaalsContact O-CA 3.3Å; T173-G178 WeakPolarHBondContact O-CA 3.46Å; T173-G178 PolarHBondContact O-N 2.81Å; G178-V180 PolarHBondContact O-N 3.48Å
179	D	91.8	Very high	92.4	Very high	33 Å²	33	34.7 Å²	34.7	18%	0.176	20%	0.196	C	C	.	.			trans	-82.1	98.5	-179.3	-164.5	-36	0	0	0	111	T173 A176 E181 I182 G183 R420	T173-D179 PolarHBondContact O-N 2.99Å; A176-D179 HydrophobicContact CB-CB 3.95Å; A176-D179 WeakPolarHBondContact O-CB 3.5Å; D179-E181 VanDerWaalsContact C-N 3.29Å; D179-E181 PolarHBondContact O-N 3.07Å; D179-E181 PolarHBondContact OD1-N 3.37Å; D179-I182 HydrophobicContact CB-CB 4.16Å; D179-I182 HydrophobicContact CB-CD1 3.9Å; D179-I182 HydrophobicContact CB-CG1 4.15Å; D179-I182 PolarHBondContact O-N 3.32Å; D179-I182 PolarHBondContact OD1-N 2.76Å; D179-I182 VanDerWaalsContact OD2-CD1 3.29Å; D179-I182 WeakPolarHBondContact OD2-CD1 3.28Å; D179-G183 PolarHBondContact O-N 2.83Å; D179-G183 VanDerWaalsContact O-N 3.13Å; D179-R420 IonicContact OD2-CZ 3.96Å; D179-R420 IonicContact OD2-NH1 3.04Å; D179-R420 PolarHBondContact OD2-NH1 2.9Å
180	V	92.6	Very high	92.1	Very high	83 Å²	83	34.4 Å²	34.4	50%	0.503	19%	0.193	S	C	.	.	H	α-helix	trans	-67.8	-30.1	-176.7	179.5	0	0	0	0	111.7	T173 G178 G183 N184	T173-V180 HydrophobicContact CG2-CG2 3.88Å; G178-V180 PolarHBondContact O-N 3.48Å; V180-G183 PolarHBondContact O-N 3.38Å; V180-N184 WeakPolarHBondContact O-CB 3.48Å; V180-N184 VanDerWaalsContact O-CG 3.26Å; V180-N184 PolarHBondContact O-N 2.83Å; V180-N184 PolarHBondContact O-ND2 3.12Å; V180-N184 VanDerWaalsContact O-ND2 3.11Å
181	E	92.7	Very high	91.9	Very high	133 Å²	133	36.9 Å²	36.9	62%	0.621	20%	0.202	S	C	*	.	H	α-helix	trans	-67.2	-47.1	178.3	-67	-173.8	173.8	0	0	110.5	D179 G183 N184 I185	D179-E181 VanDerWaalsContact C-N 3.29Å; D179-E181 PolarHBondContact O-N 3.07Å; D179-E181 PolarHBondContact OD1-N 3.37Å; E181-G183 VanDerWaalsContact C-N 3.31Å; E181-G183 PolarHBondContact O-N 3.42Å; E181-N184 PolarHBondContact O-N 3.16Å; E181-I185 WeakPolarHBondContact O-CB 3.48Å; E181-I185 WeakPolarHBondContact O-CG1 3.41Å; E181-I185 PolarHBondContact O-N 2.76Å
182	I	94	Very high	91.5	Very high	3 Å²	3	44 Å²	44	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-46	173.9	-67.4	175.6	0	0	0	110.4	A176 D179 N184 I185 I186 K417 V421 A424	A176-I182 HydrophobicContact CB-CB 3.88Å; A176-I182 HydrophobicContact CB-CD1 4.1Å; A176-I182 HydrophobicContact CB-CG2 3.59Å; D179-I182 HydrophobicContact CB-CB 4.16Å; D179-I182 HydrophobicContact CB-CD1 3.9Å; D179-I182 HydrophobicContact CB-CG1 4.15Å; D179-I182 PolarHBondContact O-N 3.32Å; D179-I182 PolarHBondContact OD1-N 2.76Å; D179-I182 VanDerWaalsContact OD2-CD1 3.29Å; D179-I182 WeakPolarHBondContact OD2-CD1 3.28Å; I182-N184 PolarHBondContact O-N 2.79Å; I182-I185 PolarHBondContact O-N 3.01Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.38Å; I182-I186 WeakPolarHBondContact O-CG1 3.34Å; I182-I186 PolarHBondContact O-N 2.92Å; I182-K417 HydrophobicContact CD1-CG 4.18Å; I182-V421 HydrophobicContact CD1-CG2 3.62Å; I182-V421 HydrophobicContact CG1-CG2 3.83Å; I182-V421 HydrophobicContact CG2-CB 4.48Å; I182-V421 HydrophobicContact CG2-CG2 3.9Å; I182-A424 HydrophobicContact CG2-CB 4.23Å
183	G	94.4	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-44.5	179.8	0	0	0	0	0	113.8	D179 V180 E181 S187	D179-G183 PolarHBondContact O-N 2.83Å; D179-G183 VanDerWaalsContact O-N 3.13Å; V180-G183 PolarHBondContact O-N 3.38Å; E181-G183 VanDerWaalsContact C-N 3.31Å; E181-G183 PolarHBondContact O-N 3.42Å; G183-S187 WeakPolarHBondContact O-CB 3.32Å; G183-S187 PolarHBondContact O-N 2.88Å
184	N	94.3	Very high	90.4	Very high	80 Å²	80	44.4 Å²	44.4	43%	0.428	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-42.1	177.4	-74.3	-33.1	0	0	0	112.3	V180 E181 I182 S187 N188	V180-N184 WeakPolarHBondContact O-CB 3.48Å; V180-N184 VanDerWaalsContact O-CG 3.26Å; V180-N184 PolarHBondContact O-N 2.83Å; V180-N184 PolarHBondContact O-ND2 3.12Å; V180-N184 VanDerWaalsContact O-ND2 3.11Å; E181-N184 PolarHBondContact O-N 3.16Å; I182-N184 PolarHBondContact O-N 2.79Å; N184-S187 PolarHBondContact O-N 3.45Å; N184-N188 WeakPolarHBondContact O-CB 3.45Å; N184-N188 PolarHBondContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 2.93Å
185	I	94	Very high	89.7	Confident	37 Å²	37	47 Å²	47	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-43.1	178.9	-75	176	0	0	0	110.9	E181 I182 N188 A189 D209 L404	E181-I185 WeakPolarHBondContact O-CB 3.48Å; E181-I185 WeakPolarHBondContact O-CG1 3.41Å; E181-I185 PolarHBondContact O-N 2.76Å; I182-I185 PolarHBondContact O-N 3.01Å; I185-N188 PolarHBondContact O-N 3.46Å; I185-A189 WeakPolarHBondContact O-CB 3.36Å; I185-A189 PolarHBondContact O-N 3.27Å; I185-D209 HydrophobicContact CD1-CB 3.53Å; I185-L404 HydrophobicContact CG2-CD1 4.32Å; I185-L404 HydrophobicContact CG2-CD2 3.22Å; I185-L404 HydrophobicContact CG2-CG 4.36Å
186	I	93	Very high	88.8	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-45	176.6	-69.2	171.4	0	0	0	110.9	A172 I182 N188 A189 M190 L404 A424 L425 T428	A172-I186 HydrophobicContact CB-CB 4.11Å; A172-I186 HydrophobicContact CB-CD1 4.08Å; A172-I186 HydrophobicContact CB-CG2 4.13Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.38Å; I182-I186 WeakPolarHBondContact O-CG1 3.34Å; I182-I186 PolarHBondContact O-N 2.92Å; I186-N188 VanDerWaalsContact C-N 3.32Å; I186-N188 PolarHBondContact O-N 3.09Å; I186-A189 WeakPolarHBondContact O-CB 3.21Å; I186-A189 PolarHBondContact O-N 3.2Å; I186-M190 HydrophobicContact CG2-CE 4.5Å; I186-M190 PolarHBondContact O-N 2.83Å; I186-L404 HydrophobicContact CG1-CD1 4.02Å; I186-A424 HydrophobicContact CD1-CB 3.52Å; I186-L425 HydrophobicContact CG2-CD1 4.43Å; I186-T428 HydrophobicContact CG2-CG2 4.06Å
187	S	93.1	Very high	88	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-42.6	176	-176.4	0	0	0	0	111.5	P165 G183 N184 M190 K191	P165-S187 PolarHBondContact O-OG 2.91Å; G183-S187 WeakPolarHBondContact O-CB 3.32Å; G183-S187 PolarHBondContact O-N 2.88Å; N184-S187 PolarHBondContact O-N 3.45Å; S187-M190 PolarHBondContact O-N 3.04Å; S187-K191 WeakPolarHBondContact O-CB 3.43Å; S187-K191 VanDerWaalsContact O-CG 3.29Å; S187-K191 WeakPolarHBondContact O-CG 3.26Å; S187-K191 PolarHBondContact O-N 3.09Å
188	N	91.3	Very high	87.6	Confident	76 Å²	76	55 Å²	55	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-39.3	176	-73.5	-27.7	0	0	0	112.8	N184 I185 I186 K191 R192 L211	N184-N188 WeakPolarHBondContact O-CB 3.45Å; N184-N188 PolarHBondContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 2.93Å; I185-N188 PolarHBondContact O-N 3.46Å; I186-N188 VanDerWaalsContact C-N 3.32Å; I186-N188 PolarHBondContact O-N 3.09Å; N188-K191 PolarHBondContact O-N 3.36Å; N188-R192 WeakPolarHBondContact O-CD 3.47Å; N188-R192 WeakPolarHBondContact O-CG 3.48Å; N188-R192 PolarHBondContact O-N 3.07Å; N188-L211 HydrophobicContact CB-CD2 4.17Å
189	A	89.9	Confident	87.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-51.8	173.8	0	0	0	0	0	110.5	I185 I186 K191 R192 V193 I199 L211 A402 L404	I185-A189 WeakPolarHBondContact O-CB 3.36Å; I185-A189 PolarHBondContact O-N 3.27Å; I186-A189 WeakPolarHBondContact O-CB 3.21Å; I186-A189 PolarHBondContact O-N 3.2Å; A189-K191 VanDerWaalsContact C-N 3.3Å; A189-K191 PolarHBondContact O-N 2.98Å; A189-R192 PolarHBondContact O-N 3.37Å; A189-V193 WeakPolarHBondContact O-CG2 3.36Å; A189-V193 PolarHBondContact O-N 3.17Å; A189-I199 HydrophobicContact CB-CD1 3.86Å; A189-I199 HydrophobicContact CB-CG1 4.38Å; A189-I199 HydrophobicContact CB-CG2 4.37Å; A189-L211 HydrophobicContact CB-CD1 3.82Å; A189-L211 HydrophobicContact CB-CD2 4.12Å; A189-A402 HydrophobicContact CB-CB 3.99Å; A189-L404 HydrophobicContact CB-CD2 4.39Å
190	M	87.8	Confident	87	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-33.3	178.4	-73.9	-167.2	168.7	0	0	113.6	I168 I186 S187 R192 G194 I199 L425 T428 R429	I168-M190 HydrophobicContact CD1-SD 4.4Å; I168-M190 HydrophobicContact CG2-SD 3.57Å; I168-M190 VanDerWaalsContact CG2-SD 3.57Å; I186-M190 HydrophobicContact CG2-CE 4.5Å; I186-M190 PolarHBondContact O-N 2.83Å; S187-M190 PolarHBondContact O-N 3.04Å; M190-R192 VanDerWaalsContact C-N 3.29Å; M190-R192 PolarHBondContact O-N 3.12Å; M190-G194 CarbonylContact O-C 3.59Å; M190-G194 WeakPolarHBondContact O-CA 3.21Å; M190-G194 PolarHBondContact O-N 3.27Å; M190-I199 HydrophobicContact CB-CD1 4.46Å; M190-I199 HydrophobicContact CE-CD1 4.33Å; M190-I199 HydrophobicContact CG-CD1 3.51Å; M190-L425 HydrophobicContact CE-CD1 4.24Å; M190-T428 WeakPolarHBondContact CE-OG1 3.31Å; M190-R429 HydrophobicContact CE-CG 4.07Å
191	K	87.5	Confident	86.7	Confident	115 Å²	115	49 Å²	49	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-35.3	172.8	-76.9	173.3	-175.1	179.3	0	112.2	P165 S187 N188 A189	P165-K191 HydrophobicContact CB-CD 4.34Å; P165-K191 HydrophobicContact CB-CG 4.41Å; S187-K191 WeakPolarHBondContact O-CB 3.43Å; S187-K191 VanDerWaalsContact O-CG 3.29Å; S187-K191 WeakPolarHBondContact O-CG 3.26Å; S187-K191 PolarHBondContact O-N 3.09Å; N188-K191 PolarHBondContact O-N 3.36Å; A189-K191 VanDerWaalsContact C-N 3.3Å; A189-K191 PolarHBondContact O-N 2.98Å
192	R	84.9	Confident	86.2	Confident	152 Å²	152	44.1 Å²	44.1	57%	0.574	21%	0.212	S	C	*	.	H	α-helix	trans	-82.9	-45	-175.3	-78.2	161.9	168.3	-134.9	10.8	113.1	N188 A189 M190 I213	N188-R192 WeakPolarHBondContact O-CD 3.47Å; N188-R192 WeakPolarHBondContact O-CG 3.48Å; N188-R192 PolarHBondContact O-N 3.07Å; A189-R192 PolarHBondContact O-N 3.37Å; M190-R192 VanDerWaalsContact C-N 3.29Å; M190-R192 PolarHBondContact O-N 3.12Å; R192-I213 HydrophobicContact CB-CD1 3.76Å; R192-I213 HydrophobicContact CB-CG1 4.48Å; R192-I213 HydrophobicContact CG-CD1 3.93Å
193	V	83.5	Confident	85.6	Confident	1 Å²	1	48 Å²	48	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-95.1	-0.5	-179.1	-58.2	0	0	0	0	113.4	A189 G197 I199 A402	A189-V193 WeakPolarHBondContact O-CG2 3.36Å; A189-V193 PolarHBondContact O-N 3.17Å; V193-G197 WeakPolarHBondContact O-CA 3.41Å; V193-I199 HydrophobicContact CG2-CD1 4.23Å; V193-I199 HydrophobicContact CG2-CG1 3.78Å; V193-A402 HydrophobicContact CG1-CB 3.68Å; V193-A402 HydrophobicContact CG2-CB 4.26Å
194	G	81.3	Confident	85.1	Confident	30 Å²	30	48.8 Å²	48.8	31%	0.309	24%	0.241	S	C	.	.			trans	79.3	164.5	-172.9	0	0	0	0	0	113.3	M190 K196 G197	M190-G194 CarbonylContact O-C 3.59Å; M190-G194 WeakPolarHBondContact O-CA 3.21Å; M190-G194 PolarHBondContact O-N 3.27Å; G194-K196 PolarHBondContact O-N 3.35Å; G194-G197 PolarHBondContact O-N 2.94Å
195	R	77.3	Confident	84.5	Confident	112 Å²	112	55.4 Å²	55.4	42%	0.423	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.8	-175.7	-64.2	-174.5	-176.5	-164.9	-3.4	114	V162 T163 V432	V162-R195 PolarHBondContact O-NH1 3.27Å; T163-R195 PolarHBondContact O-NH2 2.8Å; R195-V432 HydrophobicContact CB-CG1 3.94Å
196	K	71.3	Confident	84.3	Confident	202 Å²	202	56.3 Å²	56.3	88%	0.878	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	6.5	176	-64	-173.2	177.1	-175.4	0	112.5	G194	G194-K196 PolarHBondContact O-N 3.35Å
197	G	75.7	Confident	84	Confident	14 Å²	14	62.1 Å²	62.1	14%	0.144	30%	0.303	C	S	.	.	S	Bend	trans	-66.8	158.4	179.7	0	0	0	0	0	112.8	V193 G194	V193-G197 WeakPolarHBondContact O-CA 3.41Å; G194-G197 PolarHBondContact O-N 2.94Å
198	V	80.4	Confident	83.8	Confident	29 Å²	29	69.3 Å²	69.3	18%	0.176	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.1	178.9	-174.4	0	0	0	0	108.9	K218 L356 V401 A402	V198-K218 HydrophobicContact CB-CB 4.43Å; V198-K218 HydrophobicContact CG1-CB 3.97Å; V198-K218 HydrophobicContact CG1-CD 4.09Å; V198-K218 HydrophobicContact CG1-CG 4.46Å; V198-K218 HydrophobicContact CG2-CB 3.59Å; V198-K218 HydrophobicContact CG2-CD 4.31Å; V198-L356 HydrophobicContact CG1-CD1 4Å; V198-V401 HydrophobicContact CB-CG1 4.08Å; V198-V401 HydrophobicContact CB-CG2 4.12Å; V198-V401 HydrophobicContact CG1-CG1 3.81Å; V198-V401 HydrophobicContact CG1-CG2 4.37Å; V198-V401 WeakPolarHBondContact O-CA 3.17Å; V198-A402 PolarHBondContact O-N 2.98Å
199	I	85.1	Confident	83.9	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.036	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.6	173.4	-50.4	174.8	0	0	0	106.8	A189 M190 V193 A402 L404 L425 R429	A189-I199 HydrophobicContact CB-CD1 3.86Å; A189-I199 HydrophobicContact CB-CG1 4.38Å; A189-I199 HydrophobicContact CB-CG2 4.37Å; M190-I199 HydrophobicContact CB-CD1 4.46Å; M190-I199 HydrophobicContact CE-CD1 4.33Å; M190-I199 HydrophobicContact CG-CD1 3.51Å; V193-I199 HydrophobicContact CG2-CD1 4.23Å; V193-I199 HydrophobicContact CG2-CG1 3.78Å; I199-A402 CarbonylContact C-O 3.58Å; I199-A402 VanDerWaalsContact CA-O 3.28Å; I199-A402 WeakPolarHBondContact CA-O 3.38Å; I199-A402 HydrophobicContact CB-CB 4.44Å; I199-A402 HydrophobicContact CG1-CB 4.11Å; I199-A402 HydrophobicContact CG2-CB 4.2Å; I199-L404 HydrophobicContact CG2-CD1 3.78Å; I199-L404 HydrophobicContact CG2-CG 3.94Å; I199-L425 HydrophobicContact CB-CD1 3.7Å; I199-L425 HydrophobicContact CB-CD2 3.95Å; I199-L425 HydrophobicContact CB-CG 4.48Å; I199-L425 HydrophobicContact CD1-CD1 3.65Å; I199-L425 HydrophobicContact CG1-CD1 4.18Å; I199-L425 HydrophobicContact CG2-CD1 3.83Å; I199-L425 HydrophobicContact CG2-CD2 3.96Å; I199-R429 PolarHBondContact O-NH2 2.86Å
200	T	82.9	Confident	84	Confident	13 Å²	13	70.7 Å²	70.7	8%	0.08	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.9	177.2	-174.2	0	0	0	0	110.5	L356 V401 A402 V403 L404	T200-L356 HydrophobicContact CG2-CD2 4Å; T200-V401 HydrophobicContact CG2-CG1 4.11Å; T200-A402 PolarHBondContact N-O 3.5Å; T200-V403 HydrophobicContact CG2-CB 4.16Å; T200-V403 HydrophobicContact CG2-CG1 4.17Å; T200-V403 HydrophobicContact CG2-CG2 3.66Å; T200-V403 WeakPolarHBondContact O-CA 3.48Å; T200-L404 PolarHBondContact O-N 3.26Å
201	V	85.4	Confident	84.1	Confident	14 Å²	14	72.6 Å²	72.6	9%	0.085	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	-175.3	-169.3	0	0	0	0	109.5	L404 V406 K418 V421 L425	V201-L404 CarbonylContact C-O 3.6Å; V201-L404 WeakPolarHBondContact CA-O 3.43Å; V201-L404 HydrophobicContact CG2-CB 4.46Å; V201-V406 HydrophobicContact CG1-CG2 3.46Å; V201-V406 VanDerWaalsContact CG1-CG2 3.46Å; V201-K418 HydrophobicContact CG1-CG 3.89Å; V201-V421 HydrophobicContact CG1-CB 4.18Å; V201-V421 HydrophobicContact CG1-CG1 3.82Å; V201-V421 HydrophobicContact CG2-CG1 3.78Å; V201-L425 HydrophobicContact CG2-CD2 4.21Å
202	K	82.5	Confident	84	Confident	31 Å²	31	70 Å²	70	14%	0.135	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163.3	-177.9	-66.3	-170.6	-171.7	172.1	0	111.8	G204 E347 V403 L404 K405 V406	K202-G204 PolarHBondContact O-N 2.8Å; K202-E347 WeakPolarHBondContact CE-OE1 3.38Å; K202-E347 IonicContact NZ-OE1 2.89Å; K202-E347 PolarHBondContact NZ-OE1 3.45Å; K202-E347 IonicContact NZ-OE2 3.28Å; K202-E347 PolarHBondContact NZ-OE2 2.69Å; K202-V403 HydrophobicContact CB-CG1 4.34Å; K202-V403 HydrophobicContact CD-CG1 3.68Å; K202-V403 HydrophobicContact CG-CG1 3.96Å; K202-L404 PolarHBondContact N-O 3.48Å; K202-K405 CarbonylContact O-C 3.5Å; K202-K405 WeakPolarHBondContact O-CA 3.49Å; K202-V406 PolarHBondContact O-N 3.5Å
203	D	81.3	Confident	83.9	Confident	85 Å²	85	66.4 Å²	66.4	46%	0.455	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.1	174.7	-55.6	-5.5	0	0	0	108	V414 K418	D203-V414 HydrophobicContact CB-CG1 4.21Å; D203-K418 WeakPolarHBondContact OD1-CD 3.33Å; D203-K418 WeakPolarHBondContact OD1-CE 3.31Å; D203-K418 IonicContact OD1-NZ 2.78Å; D203-K418 PolarHBondContact OD1-NZ 2.95Å
204	G	84.1	Confident	83.7	Confident	16 Å²	16	67 Å²	67	17%	0.165	34%	0.336	C	S	.	.			trans	-77	152.4	172.6	0	0	0	0	0	111.2	K202 V406	K202-G204 PolarHBondContact O-N 2.8Å; G204-V406 VanDerWaalsContact CA-O 3.28Å; G204-V406 WeakPolarHBondContact CA-O 3.3Å; G204-V406 PolarHBondContact N-O 3.48Å
205	K	81	Confident	83.5	Confident	218 Å²	218	71.3 Å²	71.3	95%	0.948	35%	0.347	S	S	*	.	S	Bend	trans	-95.3	-9.1	171.3	-65.7	-175.5	179.1	-179.8	0	112.5
206	T	90.2	Very high	83.8	Confident	56 Å²	56	66.8 Å²	66.8	34%	0.344	34%	0.336	S	S	.	.	S	Bend	trans	-100.2	166.7	-178.1	52.3	0	0	0	0	110	Q208 E210 G407 G408	T206-Q208 VanDerWaalsContact C-N 3.28Å; T206-Q208 PolarHBondContact OG1-O 2.88Å; T206-Q208 VanDerWaalsContact OG1-O 3.11Å; T206-E210 WeakPolarHBondContact CB-OE1 3.44Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.33Å; T206-E210 PolarHBondContact OG1-OE1 2.82Å; T206-G407 WeakPolarHBondContact O-CA 3.44Å; T206-G408 PolarHBondContact O-N 3.17Å
207	L	87.5	Confident	84.5	Confident	124 Å²	124	57.9 Å²	57.9	65%	0.649	30%	0.298	S	S	*	.	S	Bend	trans	-74.6	-22.5	176.8	-66	175.8	0	0	0	112.5	T409	L207-T409 HydrophobicContact CD2-CG2 3.84Å
208	Q	89.5	Confident	85	Confident	154 Å²	154	59.6 Å²	59.6	72%	0.72	30%	0.301	S	S	*	.	S	Bend	trans	-106.6	155.3	-175.1	-66.7	-175	-21.3	0	0	110.9	T206	T206-Q208 VanDerWaalsContact C-N 3.28Å; T206-Q208 PolarHBondContact OG1-O 2.88Å; T206-Q208 VanDerWaalsContact OG1-O 3.11Å
209	D	92.3	Very high	85.5	Confident	30 Å²	30	58.3 Å²	58.3	16%	0.16	29%	0.293	C	S	.	.			trans	-76.4	138.6	174.9	-58.1	-28	0	0	0	110.5	I185 K405 V406 G407 K417	I185-D209 HydrophobicContact CD1-CB 3.53Å; D209-K405 CarbonylContact C-O 3.59Å; D209-K405 VanDerWaalsContact CA-O 3.29Å; D209-K405 WeakPolarHBondContact CA-O 3.28Å; D209-V406 WeakPolarHBondContact OD1-CA 3.45Å; D209-G407 PolarHBondContact OD1-N 3.32Å; D209-K417 WeakPolarHBondContact OD1-CE 3.39Å; D209-K417 IonicContact OD1-NZ 2.81Å; D209-K417 PolarHBondContact OD1-NZ 2.68Å; D209-K417 WeakPolarHBondContact OD2-CE 3.47Å; D209-K417 IonicContact OD2-NZ 2.65Å; D209-K417 PolarHBondContact OD2-NZ 2.67Å
210	E	91.5	Very high	85.6	Confident	76 Å²	76	63 Å²	63	36%	0.355	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.4	-179.5	-64.3	170.2	-169.4	0	0	110.7	T206 K405	T206-E210 WeakPolarHBondContact CB-OE1 3.44Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.33Å; T206-E210 PolarHBondContact OG1-OE1 2.82Å; E210-K405 HydrophobicContact CB-CB 4.25Å; E210-K405 PolarHBondContact N-O 3.02Å; E210-K405 PolarHBondContact O-N 3.06Å
211	L	89.9	Confident	86.1	Confident	45 Å²	45	67.6 Å²	67.6	24%	0.236	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.6	170.6	169.2	61.2	0	0	0	109.3	N188 A189 A402 L404	N188-L211 HydrophobicContact CB-CD2 4.17Å; A189-L211 HydrophobicContact CB-CD1 3.82Å; A189-L211 HydrophobicContact CB-CD2 4.12Å; L211-A402 HydrophobicContact CD1-CB 3.75Å; L211-L404 HydrophobicContact CB-CD2 4.01Å; L211-L404 HydrophobicContact CD1-CD2 3.58Å; L211-L404 HydrophobicContact CG-CD2 4.3Å
212	E	86.8	Confident	86.6	Confident	60 Å²	60	67.4 Å²	67.4	28%	0.28	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.1	172.7	-167	-177.1	160.1	0	0	108.7	I214 K359 A402 V403 K405	E212-I214 HydrophobicContact CB-CD1 4.43Å; E212-I214 HydrophobicContact CB-CG1 4.22Å; E212-I214 VanDerWaalsContact CD-CD1 3.47Å; E212-I214 HydrophobicContact CG-CD1 3.99Å; E212-I214 HydrophobicContact CG-CG1 3.64Å; E212-I214 WeakPolarHBondContact OE1-CD1 3.49Å; E212-K359 IonicContact OE1-NZ 3.52Å; E212-A402 CarbonylContact O-C 3.6Å; E212-V403 PolarHBondContact N-O 2.89Å; E212-V403 PolarHBondContact O-N 3.4Å; E212-K405 WeakPolarHBondContact OE2-CE 3.24Å; E212-K405 IonicContact OE2-NZ 2.65Å; E212-K405 PolarHBondContact OE2-NZ 3.46Å
213	I	83.1	Confident	87.2	Confident	78 Å²	78	67 Å²	67	40%	0.4	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.1	167.4	-50	174.4	0	0	0	106.6	R192	R192-I213 HydrophobicContact CB-CD1 3.76Å; R192-I213 HydrophobicContact CB-CG1 4.48Å; R192-I213 HydrophobicContact CG-CD1 3.93Å
214	I	78.6	Confident	87.9	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.072	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.9	-176.6	-49.7	-176	0	0	0	108.1	E212 G216 K359 V401 V403	E212-I214 HydrophobicContact CB-CD1 4.43Å; E212-I214 HydrophobicContact CB-CG1 4.22Å; E212-I214 VanDerWaalsContact CD-CD1 3.47Å; E212-I214 HydrophobicContact CG-CD1 3.99Å; E212-I214 HydrophobicContact CG-CG1 3.64Å; E212-I214 WeakPolarHBondContact OE1-CD1 3.49Å; I214-G216 PolarHBondContact O-N 3.44Å; I214-K359 HydrophobicContact CG2-CD 4.19Å; I214-K359 HydrophobicContact CG2-CG 3.35Å; I214-V401 PolarHBondContact N-O 3.32Å; I214-V401 WeakPolarHBondContact O-CA 3.26Å; I214-V401 PolarHBondContact O-N 3.21Å; I214-V403 HydrophobicContact CB-CG2 4.39Å; I214-V403 HydrophobicContact CD1-CB 4Å; I214-V403 HydrophobicContact CD1-CG2 3.41Å; I214-V403 VanDerWaalsContact CD1-CG2 3.41Å; I214-V403 HydrophobicContact CG1-CB 4.49Å; I214-V403 HydrophobicContact CG1-CG2 3.87Å
215	E	76.6	Confident	88.4	Confident	119 Å²	119	65 Å²	65	56%	0.556	32%	0.319	S	S	*	.			trans	-62.8	129.9	168.6	-67.3	172.3	-167.6	0	0	110.4	K359	E215-K359 PolarHBondContact O-N 2.86Å
216	G	83.6	Confident	88.9	Confident	17 Å²	17	58.4 Å²	58.4	18%	0.175	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	170.6	-177.6	0	0	0	0	0	112.6	I214 L357 V401	I214-G216 PolarHBondContact O-N 3.44Å; G216-L357 CarbonylContact C-O 3.46Å; G216-L357 WeakPolarHBondContact CA-O 3.49Å; G216-V401 VanDerWaalsContact C-CG2 3.41Å; G216-V401 WeakPolarHBondContact O-CG2 3.42Å
217	M	86.6	Confident	89.1	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.5	-173.6	-172.4	178.3	-54.9	0	0	110.7	M316 A319 L357 K396 L397	M217-M316 HydrophobicContact CE-CG 4.18Å; M217-M316 HydrophobicContact SD-CB 4.46Å; M217-M316 HydrophobicContact SD-CG 3.34Å; M217-M316 WeakPolarHBondContact SD-CG 2.85Å; M217-M316 HydrophobicContact SD-SD 4.39Å; M217-A319 HydrophobicContact CE-CB 3.85Å; M217-L357 PolarHBondContact N-O 3.28Å; M217-L357 PolarHBondContact O-N 3.13Å; M217-K396 HydrophobicContact CG-CB 4.17Å; M217-L397 HydrophobicContact CE-CD2 3.86Å
218	K	86.7	Confident	89.5	Confident	49 Å²	49	56.4 Å²	56.4	21%	0.213	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.6	171.6	-166.4	-165.7	175.5	-154.8	0	110.8	V198 D354 T355 L356 K396	V198-K218 HydrophobicContact CB-CB 4.43Å; V198-K218 HydrophobicContact CG1-CB 3.97Å; V198-K218 HydrophobicContact CG1-CD 4.09Å; V198-K218 HydrophobicContact CG1-CG 4.46Å; V198-K218 HydrophobicContact CG2-CB 3.59Å; V198-K218 HydrophobicContact CG2-CD 4.31Å; K218-D354 WeakPolarHBondContact CE-OD1 3.3Å; K218-D354 WeakPolarHBondContact CE-OD2 3.41Å; K218-D354 IonicContact NZ-OD1 3.02Å; K218-D354 PolarHBondContact NZ-OD1 2.86Å; K218-D354 VanDerWaalsContact NZ-OD1 3.14Å; K218-D354 IonicContact NZ-OD2 2.63Å; K218-D354 PolarHBondContact NZ-OD2 3.31Å; K218-T355 CarbonylContact C-O 3.58Å; K218-T355 VanDerWaalsContact CA-O 3.31Å; K218-T355 WeakPolarHBondContact CA-O 3.48Å; K218-L356 HydrophobicContact CB-CD1 3.98Å; K218-L356 HydrophobicContact CG-CD1 4.45Å; K218-K396 WeakPolarHBondContact O-CD 3.42Å; K218-K396 WeakPolarHBondContact O-CE 3.44Å; K218-K396 PolarHBondContact O-NZ 2.89Å
219	F	90.1	Very high	89.7	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.9	168.2	60.7	-89.8	0	0	0	112.6	R221 V274 V300 P303 M316 T355 L357	F219-R221 HydrophobicContact CD2-CB 3.83Å; F219-R221 HydrophobicContact CD2-CG 4.26Å; F219-R221 HydrophobicContact CE2-CB 3.87Å; F219-R221 PolarHBondContact O-N 3.18Å; F219-V274 HydrophobicContact CZ-CG2 4.22Å; F219-V300 HydrophobicContact CE2-CG1 3.71Å; F219-V300 HydrophobicContact CZ-CG1 4.18Å; F219-P303 HydrophobicContact CB-CB 3.81Å; F219-P303 HydrophobicContact CB-CG 3.97Å; F219-P303 HydrophobicContact CD2-CB 3.77Å; F219-P303 HydrophobicContact CD2-CG 3.79Å; F219-P303 HydrophobicContact CE2-CG 4.37Å; F219-P303 HydrophobicContact CG-CB 4.03Å; F219-P303 HydrophobicContact CG-CG 3.86Å; F219-M316 HydrophobicContact CD1-SD 4.01Å; F219-M316 HydrophobicContact CE1-SD 3.63Å; F219-M316 HydrophobicContact CZ-SD 4.18Å; F219-T355 HydrophobicContact CD1-CG2 4.44Å; F219-T355 HydrophobicContact CE1-CG2 3.58Å; F219-T355 HydrophobicContact CE2-CG2 4.2Å; F219-T355 VanDerWaalsContact CZ-CB 3.47Å; F219-T355 HydrophobicContact CZ-CG2 3.44Å; F219-T355 VanDerWaalsContact CZ-CG2 3.44Å; F219-T355 PolarHBondContact N-O 3Å; F219-T355 PolarHBondContact O-N 3.23Å; F219-L357 HydrophobicContact CE1-CD1 4.17Å; F219-L357 HydrophobicContact CE1-CG 4.36Å
220	D	88.2	Confident	89.7	Confident	104 Å²	104	52.7 Å²	52.7	56%	0.556	26%	0.262	S	S	*	.	S	Bend	trans	-87.9	56.6	-167.5	-44.3	-33.2	0	0	0	111.4	D353	D220-D353 CarbonylContact C-O 3.43Å; D220-D353 WeakPolarHBondContact CA-O 3.11Å
221	R	93.3	Very high	89.4	Confident	110 Å²	110	50.5 Å²	50.5	42%	0.415	25%	0.253	S	S	.	.			trans	-136.3	124	168.1	-65.1	-67.7	-164.4	-167.1	-3.8	108.8	F219 V300 K301 P303 D353 D354 T355	F219-R221 HydrophobicContact CD2-CB 3.83Å; F219-R221 HydrophobicContact CD2-CG 4.26Å; F219-R221 HydrophobicContact CE2-CB 3.87Å; F219-R221 PolarHBondContact O-N 3.18Å; R221-V300 HydrophobicContact CB-CG1 3.75Å; R221-V300 VanDerWaalsContact O-CG1 3.27Å; R221-V300 WeakPolarHBondContact O-CG1 3.47Å; R221-K301 VanDerWaalsContact CB-O 3.23Å; R221-K301 WeakPolarHBondContact CB-O 3.43Å; R221-K301 HydrophobicContact CG-CB 4.49Å; R221-K301 VanDerWaalsContact CG-O 3.29Å; R221-K301 WeakPolarHBondContact CG-O 3.38Å; R221-P303 HydrophobicContact CG-CB 4.42Å; R221-D353 CarbonylContact C-O 3.59Å; R221-D353 WeakPolarHBondContact CA-O 3.45Å; R221-D353 PolarHBondContact N-O 2.86Å; R221-D354 CarbonylContact O-C 3.52Å; R221-D354 VanDerWaalsContact O-C 3.29Å; R221-T355 WeakPolarHBondContact O-CB 3.35Å; R221-T355 PolarHBondContact O-N 3.46Å; R221-T355 PolarHBondContact O-OG1 3.47Å
222	G	94.6	Very high	88.5	Confident	11 Å²	11	52.7 Å²	52.7	11%	0.113	28%	0.278	C	S	.	.			trans	-98.1	-169.4	175	0	0	0	0	0	114.4	V300 T351 K352 D353	G222-V300 WeakPolarHBondContact O-CG1 3.35Å; G222-T351 CarbonylContact C-O 3.56Å; G222-T351 WeakPolarHBondContact CA-O 3.36Å; G222-K352 VanDerWaalsContact CA-O 3.3Å; G222-K352 WeakPolarHBondContact CA-O 3.31Å; G222-D353 PolarHBondContact N-O 3.44Å
223	Y	96.3	Very high	87.5	Confident	21 Å²	21	56.5 Å²	56.5	8%	0.082	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-61.4	139.4	179.4	51.2	-109.9	0	0	0	111.7	S225 P226 I229 I350 T351 K352	Y223-S225 VanDerWaalsContact C-N 3.27Å; Y223-S225 VanDerWaalsContact CD2-C 3.5Å; Y223-S225 VanDerWaalsContact CD2-O 3.27Å; Y223-S225 WeakPolarHBondContact CD2-O 3.45Å; Y223-S225 PolarHBondContact O-N 2.98Å; Y223-P226 HydrophobicContact CE2-CB 4.1Å; Y223-I229 HydrophobicContact CD1-CG1 4.47Å; Y223-I229 HydrophobicContact CE1-CD1 4.28Å; Y223-I229 HydrophobicContact CE1-CG1 3.83Å; Y223-I350 HydrophobicContact CD1-CG2 4.07Å; Y223-I350 HydrophobicContact CG-CG2 4.49Å; Y223-T351 WeakPolarHBondContact CD1-O 2.94Å; Y223-T351 WeakPolarHBondContact CE1-O 3.22Å; Y223-T351 PolarHBondContact N-O 2.91Å; Y223-K352 HydrophobicContact CE2-CB 4.36Å
224	I	95.5	Very high	86.6	Confident	46 Å²	46	55 Å²	55	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-70.1	-28.5	177.7	-65.1	169.1	0	0	0	111.2	V278 L283 A299 K301	I224-V278 HydrophobicContact CD1-CB 3.78Å; I224-V278 HydrophobicContact CD1-CG2 4.12Å; I224-L283 HydrophobicContact CB-CD1 4.47Å; I224-L283 HydrophobicContact CG2-CD1 4.04Å; I224-L283 HydrophobicContact CG2-CD2 3.81Å; I224-A299 HydrophobicContact CD1-CB 4.1Å; I224-A299 PolarHBondContact N-O 2.86Å; I224-K301 HydrophobicContact CD1-CG 3.89Å; I224-K301 HydrophobicContact CG1-CG 3.9Å
225	S	94	Very high	86.8	Confident	14 Å²	14	61 Å²	61	10%	0.098	33%	0.326	C	S	.	.			trans	-133.2	133.6	-179	-171.2	0	0	0	0	111.7	Y223 Y227 F228	Y223-S225 VanDerWaalsContact C-N 3.27Å; Y223-S225 VanDerWaalsContact CD2-C 3.5Å; Y223-S225 VanDerWaalsContact CD2-O 3.27Å; Y223-S225 WeakPolarHBondContact CD2-O 3.45Å; Y223-S225 PolarHBondContact O-N 2.98Å; S225-Y227 PolarHBondContact O-N 3.26Å; S225-Y227 VanDerWaalsContact O-N 3.13Å; S225-Y227 WeakPolarHBondContact OG-CD2 3.46Å; S225-F228 VanDerWaalsContact O-CD2 3.31Å; S225-F228 WeakPolarHBondContact O-CD2 3.45Å; S225-F228 PolarHBondContact O-N 3.29Å
226	P	92.6	Very high	87.3	Confident	80 Å²	80	58.6 Å²	58.6	52%	0.519	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-65.4	-14.9	177.2	28.9	-36	0	0	0	112.9	Y223 F228 I229	Y223-P226 HydrophobicContact CE2-CB 4.1Å; P226-F228 PolarHBondContact O-N 2.93Å; P226-I229 HydrophobicContact CB-CD1 4.19Å; P226-I229 WeakPolarHBondContact O-CB 3.49Å; P226-I229 VanDerWaalsContact O-CD1 3.32Å; P226-I229 WeakPolarHBondContact O-CD1 3.21Å; P226-I229 WeakPolarHBondContact O-CG1 3.5Å; P226-I229 PolarHBondContact O-N 3.18Å
227	Y	93.4	Very high	87.8	Confident	138 Å²	138	57.8 Å²	57.8	54%	0.541	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-68.7	-9.7	176.2	-66.1	-62.5	0	0	0	113.9	S225 V287 L291	S225-Y227 PolarHBondContact O-N 3.26Å; S225-Y227 VanDerWaalsContact O-N 3.13Å; S225-Y227 WeakPolarHBondContact OG-CD2 3.46Å; Y227-V287 HydrophobicContact CD2-CG1 3.71Å; Y227-V287 HydrophobicContact CG-CG1 3.94Å; Y227-L291 HydrophobicContact CD1-CD1 4.03Å; Y227-L291 HydrophobicContact CD1-CD2 4.07Å; Y227-L291 HydrophobicContact CE1-CD1 4.47Å; Y227-L291 HydrophobicContact CG-CD1 4.19Å
228	F	95.5	Very high	88.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-79.8	-17.2	173.6	-62.9	-50.5	0	0	0	113.6	S225 P226 N230 C237 L283 L286 V287 R290 V297 V298 A299	S225-F228 VanDerWaalsContact O-CD2 3.31Å; S225-F228 WeakPolarHBondContact O-CD2 3.45Å; S225-F228 PolarHBondContact O-N 3.29Å; P226-F228 PolarHBondContact O-N 2.93Å; F228-N230 PolarHBondContact O-N 2.87Å; F228-C237 PolarHBondContact O-SG 2.91Å; F228-L283 HydrophobicContact CE2-CD1 4.12Å; F228-L283 HydrophobicContact CZ-CD1 4.09Å; F228-L286 HydrophobicContact CE1-CB 4.11Å; F228-L286 HydrophobicContact CZ-CB 4.01Å; F228-V287 HydrophobicContact CE1-CG2 4.15Å; F228-V287 HydrophobicContact CZ-CG2 3.91Å; F228-R290 HydrophobicContact CD1-CB 4.42Å; F228-R290 HydrophobicContact CD1-CG 4.16Å; F228-V297 WeakPolarHBondContact CD1-O 3.25Å; F228-V297 HydrophobicContact CE1-CG1 4.29Å; F228-V298 HydrophobicContact CB-CB 4.24Å; F228-V298 HydrophobicContact CB-CG2 3.81Å; F228-V298 HydrophobicContact CD2-CG2 4.1Å; F228-V298 HydrophobicContact CG-CB 4.34Å; F228-V298 HydrophobicContact CG-CG2 4.06Å; F228-A299 HydrophobicContact CE2-CB 3.99Å; F228-A299 HydrophobicContact CZ-CB 4.26Å
229	I	93.9	Very high	88.6	Confident	46 Å²	46	58.5 Å²	58.5	24%	0.236	31%	0.309	C	S	.	.			trans	-50.4	131.4	178.1	-65.9	168.6	0	0	0	109.6	Y223 P226 T231 Q235 K236 R290	Y223-I229 HydrophobicContact CD1-CG1 4.47Å; Y223-I229 HydrophobicContact CE1-CD1 4.28Å; Y223-I229 HydrophobicContact CE1-CG1 3.83Å; P226-I229 HydrophobicContact CB-CD1 4.19Å; P226-I229 WeakPolarHBondContact O-CB 3.49Å; P226-I229 VanDerWaalsContact O-CD1 3.32Å; P226-I229 WeakPolarHBondContact O-CD1 3.21Å; P226-I229 WeakPolarHBondContact O-CG1 3.5Å; P226-I229 PolarHBondContact O-N 3.18Å; I229-T231 WeakPolarHBondContact CG2-O 3.15Å; I229-Q235 HydrophobicContact CD1-CB 3.98Å; I229-Q235 HydrophobicContact CD1-CG 4.4Å; I229-K236 WeakPolarHBondContact CA-O 3.49Å; I229-K236 WeakPolarHBondContact CG2-O 3.48Å; I229-R290 PolarHBondContact O-NH2 3.42Å
230	N	92	Very high	88.8	Confident	60 Å²	60	65.6 Å²	65.6	32%	0.321	34%	0.342	S	S	.	.			trans	-128.1	-2.8	180	73.5	-7.4	0	0	0	113.1	F228 K236 C237 E238 F239 R290	F228-N230 PolarHBondContact O-N 2.87Å; N230-K236 PolarHBondContact N-O 2.84Å; N230-C237 WeakPolarHBondContact OD1-CA 3.37Å; N230-E238 PolarHBondContact ND2-O 2.86Å; N230-E238 PolarHBondContact OD1-N 3.25Å; N230-F239 WeakPolarHBondContact ND2-CE1 3.29Å; N230-R290 VanDerWaalsContact CB-NH2 3.32Å
231	T	85.1	Confident	89.1	Confident	29 Å²	29	64.6 Å²	64.6	18%	0.178	34%	0.336	C	S	.	.			trans	-100.6	138.5	174	62.9	0	0	0	0	110.7	I229 K233 G234 K236 E238	I229-T231 WeakPolarHBondContact CG2-O 3.15Å; T231-K233 VanDerWaalsContact C-N 3.35Å; T231-K233 PolarHBondContact OG1-O 3.49Å; T231-G234 PolarHBondContact OG1-O 3.19Å; T231-K236 PolarHBondContact N-O 3.38Å; T231-K236 PolarHBondContact OG1-O 3.02Å; T231-E238 HydrophobicContact CG2-CB 3.97Å; T231-E238 HydrophobicContact CG2-CG 3.84Å
232	A	71.3	Confident	89.3	Confident	92 Å²	92	59.3 Å²	59.3	76%	0.76	32%	0.317	S	S	*	.	S	Bend	trans	-79.2	-22.4	170.9	0	0	0	0	0	112.1
233	K	65.6	Low	89.4	Confident	140 Å²	140	59.5 Å²	59.5	61%	0.609	31%	0.314	S	S	*	.	S	Bend	trans	-104.1	109.8	179.4	-66.9	-177.5	178	-178.9	0	109.3	T231 N415	T231-K233 VanDerWaalsContact C-N 3.35Å; T231-K233 PolarHBondContact OG1-O 3.49Å; K233-N415 PolarHBondContact NZ-ND2 3.43Å; K233-N415 PolarHBondContact NZ-OD1 3.01Å
234	G	65.3	Low	89.5	Confident	47 Å²	47	58.5 Å²	58.5	49%	0.485	31%	0.31	S	S	.	.	S	Bend	trans	77.3	144.8	-173.5	0	0	0	0	0	112.4	T231 K236	T231-G234 PolarHBondContact OG1-O 3.19Å; G234-K236 PolarHBondContact O-N 3.44Å
235	Q	81.8	Confident	89.5	Confident	139 Å²	139	56.4 Å²	56.4	65%	0.65	30%	0.299	S	S	*	.	S	Bend	trans	-75.7	73.7	176.5	-66.6	-177.5	-14.7	0	0	109.8	I229	I229-Q235 HydrophobicContact CD1-CB 3.98Å; I229-Q235 HydrophobicContact CD1-CG 4.4Å
236	K	88.9	Confident	89.6	Confident	68 Å²	68	55.8 Å²	55.8	30%	0.296	30%	0.295	S	S	.	.			trans	-133.4	156.2	-173.2	-52.3	-170.1	179.2	177.5	0	112.6	I229 N230 T231 G234 Q349 I350 T351	I229-K236 WeakPolarHBondContact CA-O 3.49Å; I229-K236 WeakPolarHBondContact CG2-O 3.48Å; N230-K236 PolarHBondContact N-O 2.84Å; T231-K236 PolarHBondContact N-O 3.38Å; T231-K236 PolarHBondContact OG1-O 3.02Å; G234-K236 PolarHBondContact O-N 3.44Å; K236-Q349 HydrophobicContact CD-CG 4.13Å; K236-Q349 VanDerWaalsContact CD-NE2 3.34Å; K236-Q349 VanDerWaalsContact NZ-NE2 3.2Å; K236-I350 CarbonylContact C-O 3.34Å; K236-I350 VanDerWaalsContact CA-O 3.25Å; K236-I350 WeakPolarHBondContact CA-O 3.07Å; K236-T351 HydrophobicContact CD-CG2 4.09Å; K236-T351 HydrophobicContact CG-CG2 4.01Å
237	C	94.3	Very high	89.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.1	167.3	-176.8	0	0	0	0	108.2	F228 N230 V298 Q349 I350	F228-C237 PolarHBondContact O-SG 2.91Å; N230-C237 WeakPolarHBondContact OD1-CA 3.37Å; C237-V298 HydrophobicContact CB-CG2 4.37Å; C237-Q349 CarbonylContact O-C 3.11Å; C237-Q349 WeakPolarHBondContact O-CA 3.4Å; C237-I350 HydrophobicContact CB-CB 4.31Å; C237-I350 PolarHBondContact N-O 2.89Å; C237-I350 PolarHBondContact O-N 3.32Å
238	E	94.2	Very high	89.8	Confident	74 Å²	74	46.4 Å²	46.4	35%	0.346	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.5	-178	-69.7	-179.4	176.8	0	0	110.9	N230 T231 V348 Q349	N230-E238 PolarHBondContact ND2-O 2.86Å; N230-E238 PolarHBondContact OD1-N 3.25Å; T231-E238 HydrophobicContact CG2-CB 3.97Å; T231-E238 HydrophobicContact CG2-CG 3.84Å; E238-V348 CarbonylContact C-O 3.6Å; E238-V348 VanDerWaalsContact CA-O 3.3Å; E238-V348 WeakPolarHBondContact CA-O 3.32Å; E238-Q349 HydrophobicContact CG-CB 4.36Å; E238-Q349 HydrophobicContact CG-CG 3.98Å; E238-Q349 PolarHBondContact OE1-NE2 3.14Å
239	F	95.6	Very high	89.6	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.6	176.8	-67.7	-41.7	0	0	0	111.4	N230 A242 P270 V272 Q296 V298 E347 V348	N230-F239 WeakPolarHBondContact ND2-CE1 3.29Å; F239-A242 HydrophobicContact CB-CB 4.12Å; F239-P270 HydrophobicContact CB-CB 3.76Å; F239-P270 HydrophobicContact CB-CG 3.99Å; F239-P270 HydrophobicContact CD1-CB 3.63Å; F239-P270 HydrophobicContact CD1-CG 3.92Å; F239-P270 HydrophobicContact CD2-CB 3.75Å; F239-P270 HydrophobicContact CE1-CB 4.11Å; F239-P270 HydrophobicContact CE2-CB 4.19Å; F239-P270 HydrophobicContact CG-CB 3.45Å; F239-P270 VanDerWaalsContact CG-CB 3.45Å; F239-P270 HydrophobicContact CG-CG 4.01Å; F239-P270 HydrophobicContact CZ-CB 4.38Å; F239-V272 HydrophobicContact CD2-CG2 4.03Å; F239-Q296 HydrophobicContact CD1-CB 4.46Å; F239-Q296 HydrophobicContact CE1-CB 3.75Å; F239-Q296 HydrophobicContact CE1-CG 4.2Å; F239-Q296 HydrophobicContact CZ-CB 4.07Å; F239-V298 HydrophobicContact CD2-CG1 4.05Å; F239-V298 HydrophobicContact CE2-CB 3.94Å; F239-V298 HydrophobicContact CE2-CG1 3.57Å; F239-E347 CarbonylContact O-C 3.53Å; F239-E347 WeakPolarHBondContact O-CA 3.08Å; F239-V348 HydrophobicContact CB-CB 4.49Å; F239-V348 PolarHBondContact N-O 3.48Å; F239-V348 PolarHBondContact O-N 3.37Å
240	Q	93.9	Very high	89.7	Confident	152 Å²	152	54.6 Å²	54.6	71%	0.71	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	143	172.9	-65.5	-179.5	0.7	0	0	108.9	A242 G346	Q240-A242 PolarHBondContact O-N 3.48Å; Q240-G346 WeakPolarHBondContact CA-O 3.48Å
241	D	94.6	Very high	89.8	Confident	83 Å²	83	51.9 Å²	51.9	44%	0.444	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.7	58.7	-179.6	-171.1	23.6	0	0	0	112.6	K269 V345 G346	D241-K269 IonicContact OD1-NZ 2.75Å; D241-K269 PolarHBondContact OD1-NZ 2.94Å; D241-K269 VanDerWaalsContact OD2-CE 3.23Å; D241-K269 WeakPolarHBondContact OD2-CE 3.41Å; D241-K269 IonicContact OD2-NZ 2.82Å; D241-K269 PolarHBondContact OD2-NZ 2.93Å; D241-V345 CarbonylContact C-O 3.55Å; D241-V345 WeakPolarHBondContact CA-O 3.25Å; D241-G346 PolarHBondContact N-O 3.19Å
242	A	96.6	Very high	90.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	149.7	-173.8	0	0	0	0	0	112.3	F239 Q240 P270 V272 V345 V348	F239-A242 HydrophobicContact CB-CB 4.12Å; Q240-A242 PolarHBondContact O-N 3.48Å; A242-P270 WeakPolarHBondContact CA-O 3.35Å; A242-P270 HydrophobicContact CB-CB 4.01Å; A242-V272 HydrophobicContact CB-CG2 4.17Å; A242-V345 PolarHBondContact N-O 2.83Å; A242-V345 PolarHBondContact O-N 3.3Å; A242-V348 HydrophobicContact CB-CG2 4.36Å
243	Y	97.4	Very high	91.3	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.4	163	-73.9	-38.9	0	0	0	110.9	A264 H267 K269 P270 V272 F342 G343 K344	Y243-A264 HydrophobicContact CD2-CB 4.4Å; Y243-H267 HydrophobicContact CE2-CB 4.07Å; Y243-K269 HydrophobicContact CD1-CD 4.4Å; Y243-K269 HydrophobicContact CD2-CB 4.04Å; Y243-K269 HydrophobicContact CD2-CD 4.32Å; Y243-K269 HydrophobicContact CE1-CD 4.03Å; Y243-K269 HydrophobicContact CE2-CB 4.19Å; Y243-K269 HydrophobicContact CE2-CD 3.96Å; Y243-K269 HydrophobicContact CE2-CG 4.39Å; Y243-P270 PolarHBondContact N-O 3.02Å; Y243-V272 PolarHBondContact O-N 2.91Å; Y243-F342 HydrophobicContact CD1-CB 3.72Å; Y243-F342 HydrophobicContact CD1-CG 4.28Å; Y243-F342 HydrophobicContact CD2-CD2 4.5Å; Y243-F342 HydrophobicContact CD2-CG 4.42Å; Y243-F342 HydrophobicContact CE1-CB 4.38Å; Y243-F342 HydrophobicContact CG-CB 3.93Å; Y243-F342 HydrophobicContact CG-CD1 4.35Å; Y243-F342 HydrophobicContact CG-CD2 4.49Å; Y243-F342 HydrophobicContact CG-CG 4.02Å; Y243-G343 CarbonylContact C-O 3.53Å; Y243-G343 WeakPolarHBondContact CA-O 3.29Å; Y243-K344 HydrophobicContact CD1-CG 4.29Å; Y243-K344 HydrophobicContact CE1-CG 4.26Å
244	L	97.1	Very high	92.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.6	176.4	-175.2	66.2	0	0	0	109.4	L246 V272 V274 T320 G343 V345 L357	L244-L246 HydrophobicContact CD1-CD2 4.25Å; L244-L246 HydrophobicContact CD2-CD1 4.47Å; L244-L246 HydrophobicContact CD2-CD2 3.82Å; L244-L246 HydrophobicContact CD2-CG 4.28Å; L244-L246 HydrophobicContact CG-CD2 3.79Å; L244-L246 HydrophobicContact CG-CG 4.15Å; L244-V272 CarbonylContact C-O 3.59Å; L244-V272 WeakPolarHBondContact CA-O 3.47Å; L244-V272 HydrophobicContact CD1-CB 3.82Å; L244-V272 HydrophobicContact CD1-CG1 3.64Å; L244-V274 HydrophobicContact CD1-CG2 3.74Å; L244-T320 HydrophobicContact CD2-CG2 3.72Å; L244-G343 PolarHBondContact N-O 3.45Å; L244-G343 PolarHBondContact O-N 3.33Å; L244-V345 HydrophobicContact CB-CG2 4.08Å; L244-V345 HydrophobicContact CD2-CG2 4.18Å; L244-L357 HydrophobicContact CD2-CD1 3.83Å
245	L	97.1	Very high	93.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.4	171.4	175.9	69.1	0	0	0	109.4	I251 I257 A260 L271 V272 I273 V274 F325 L334 I337 F342	L245-I251 HydrophobicContact CD2-CD1 4.45Å; L245-I257 HydrophobicContact CD2-CD1 3.39Å; L245-A260 HydrophobicContact CD2-CB 4.19Å; L245-L271 HydrophobicContact CB-CD1 4.14Å; L245-V272 PolarHBondContact N-O 3Å; L245-I273 HydrophobicContact CB-CG1 4.43Å; L245-I273 HydrophobicContact CD2-CG1 4.18Å; L245-I273 HydrophobicContact CD2-CG2 4.08Å; L245-V274 PolarHBondContact O-N 2.87Å; L245-F325 HydrophobicContact CD1-CD2 3.75Å; L245-F325 HydrophobicContact CD1-CE2 3.84Å; L245-L334 HydrophobicContact CD1-CD1 3.51Å; L245-L334 HydrophobicContact CD2-CD1 4.01Å; L245-L334 HydrophobicContact CG-CD1 4.23Å; L245-I337 HydrophobicContact CD1-CD1 3.37Å; L245-F342 HydrophobicContact CB-CD1 4.27Å; L245-F342 HydrophobicContact CB-CE1 4.12Å; L245-F342 HydrophobicContact CD1-CE1 4.29Å
246	L	96.3	Very high	94	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.8	-180	-60.2	176.3	0	0	0	110	L244 V274 L313 M316 A317 V324 F325	L244-L246 HydrophobicContact CD1-CD2 4.25Å; L244-L246 HydrophobicContact CD2-CD1 4.47Å; L244-L246 HydrophobicContact CD2-CD2 3.82Å; L244-L246 HydrophobicContact CD2-CG 4.28Å; L244-L246 HydrophobicContact CG-CD2 3.79Å; L244-L246 HydrophobicContact CG-CG 4.15Å; L246-V274 CarbonylContact C-O 3.51Å; L246-V274 WeakPolarHBondContact CA-O 3.47Å; L246-V274 HydrophobicContact CD2-CB 3.88Å; L246-V274 HydrophobicContact CD2-CG1 4.47Å; L246-V274 HydrophobicContact CD2-CG2 4.34Å; L246-L313 HydrophobicContact CB-CD2 4.34Å; L246-L313 HydrophobicContact CD2-CD2 4.14Å; L246-M316 HydrophobicContact CD1-CB 4.18Å; L246-M316 HydrophobicContact CD2-CB 4.34Å; L246-M316 HydrophobicContact CD2-CE 4.48Å; L246-A317 HydrophobicContact CD1-CB 3.55Å; L246-V324 HydrophobicContact CB-CG2 4.32Å; L246-V324 HydrophobicContact CD1-CG2 4.35Å; L246-F325 WeakPolarHBondContact O-CD2 3.43Å; L246-F325 PolarHBondContact O-N 3.48Å
247	S	95	Very high	94.1	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129	176.1	-168.3	0	0	0	0	111.2	K249 V274 A275 E276 F325	S247-K249 VanDerWaalsContact C-N 3.29Å; S247-K249 PolarHBondContact OG-O 3.21Å; S247-V274 PolarHBondContact N-O 3.41Å; S247-A275 VanDerWaalsContact O-CA 3.3Å; S247-A275 WeakPolarHBondContact O-CA 3.36Å; S247-E276 PolarHBondContact O-N 2.97Å; S247-F325 WeakPolarHBondContact CA-O 3.4Å
248	E	93.6	Very high	94	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.075	22%	0.222	C	C	.	.	S	Bend	trans	-71.4	-28.9	173.3	-170.7	-179.5	145.1	0	0	111.9	E276 K310 L313 V324 F325	E248-E276 WeakPolarHBondContact O-CB 3.4Å; E248-K310 HydrophobicContact CG-CG 4.27Å; E248-K310 WeakPolarHBondContact OE1-CD 3.42Å; E248-K310 WeakPolarHBondContact OE1-CE 3.44Å; E248-K310 IonicContact OE1-NZ 3.92Å; E248-K310 PolarHBondContact OE1-NZ 3.04Å; E248-L313 HydrophobicContact CB-CD1 4.33Å; E248-V324 HydrophobicContact CB-CG1 4.19Å; E248-F325 PolarHBondContact N-O 3.22Å
249	K	92.9	Very high	94	Very high	110 Å²	110	41.9 Å²	41.9	48%	0.478	22%	0.215	S	C	.	.	S	Bend	trans	-98.9	168.8	-175.4	-66.2	-176.2	178.1	173.7	0	111.8	S247 E276 G326	S247-K249 VanDerWaalsContact C-N 3.29Å; S247-K249 PolarHBondContact OG-O 3.21Å; K249-E276 PolarHBondContact O-N 2.81Å; K249-G326 WeakPolarHBondContact CE-O 3.34Å
250	K	94.5	Very high	93.9	Very high	107 Å²	107	41.6 Å²	41.6	47%	0.465	21%	0.214	S	C	.	.			trans	-70.3	144.6	171.5	-64.8	-171.7	177.6	-170.1	0	111.7	E276 D277	K250-E276 HydrophobicContact CG-CB 4.16Å; K250-E276 HydrophobicContact CG-CG 3.7Å; K250-D277 WeakPolarHBondContact CA-O 3.49Å; K250-D277 HydrophobicContact CD-CB 4.02Å; K250-D277 HydrophobicContact CG-CB 3.85Å
251	I	95.4	Very high	93.8	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-112.2	97.3	174	-54.5	176.4	0	0	0	108.2	L245 I257 I273 A275 D277 V278 D279 A282 L334	L245-I251 HydrophobicContact CD2-CD1 4.45Å; I251-I257 HydrophobicContact CD1-CD1 4.34Å; I251-I257 HydrophobicContact CG2-CB 4.19Å; I251-I273 HydrophobicContact CD1-CG2 3.93Å; I251-A275 HydrophobicContact CD1-CB 3.82Å; I251-A275 HydrophobicContact CG1-CB 4.01Å; I251-D277 PolarHBondContact N-O 3.16Å; I251-V278 HydrophobicContact CB-CG2 4.43Å; I251-V278 WeakPolarHBondContact O-CA 3.42Å; I251-D279 PolarHBondContact O-N 3.33Å; I251-A282 HydrophobicContact CG2-CB 4.01Å; I251-L334 HydrophobicContact CD1-CD2 3.86Å; I251-L334 HydrophobicContact CG1-CD2 4.16Å
252	S	94.6	Very high	93.7	Very high	53 Å²	53	37.1 Å²	37.1	37%	0.371	19%	0.191	S	C	.	.			trans	-107.1	-30.2	179.7	-51.9	0	0	0	0	113.1	D279 E281 A282	S252-D279 WeakPolarHBondContact CA-OD1 3.31Å; S252-D279 WeakPolarHBondContact CB-OD1 3.39Å; S252-D279 PolarHBondContact OG-OD1 2.92Å; S252-E281 PolarHBondContact O-N 3.45Å; S252-A282 PolarHBondContact O-N 3.4Å
253	S	92.8	Very high	93.5	Very high	47 Å²	47	38.4 Å²	38.4	33%	0.329	20%	0.198	S	C	.	.			trans	-88.9	140.6	-177.8	-179.3	0	0	0	0	111.2	Q255 S256	S253-Q255 VanDerWaalsContact C-N 3.31Å; S253-Q255 PolarHBondContact OG-N 3.36Å; S253-S256 PolarHBondContact O-OG 3.09Å; S253-S256 VanDerWaalsContact O-OG 3.09Å
254	V	90.3	Very high	93.3	Very high	22 Å²	22	37.9 Å²	37.9	13%	0.133	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-33.2	173.1	174.1	0	0	0	0	111.4	S256 I257 V258 E281 T285	V254-S256 PolarHBondContact O-N 3.33Å; V254-I257 WeakPolarHBondContact O-CG2 3.33Å; V254-I257 PolarHBondContact O-N 3.08Å; V254-I257 VanDerWaalsContact O-N 3.14Å; V254-V258 HydrophobicContact CG1-CG2 3.64Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.42Å; V254-V258 PolarHBondContact O-N 2.68Å; V254-V258 VanDerWaalsContact O-N 3.12Å; V254-E281 HydrophobicContact CG2-CB 3.81Å; V254-E281 HydrophobicContact CG2-CG 3.44Å; V254-E281 VanDerWaalsContact CG2-CG 3.44Å; V254-E281 WeakPolarHBondContact CG2-O 3.45Å; V254-T285 HydrophobicContact CG1-CG2 4.2Å; V254-T285 HydrophobicContact CG2-CG2 4.36Å; V254-T285 WeakPolarHBondContact CG2-OG1 3.28Å
255	Q	89.8	Confident	93	Very high	159 Å²	159	42.7 Å²	42.7	74%	0.743	22%	0.222	S	C	*	.	H	α-helix	trans	-59.7	-35.8	-175.5	-67.8	177.8	-18.1	0	0	112.5	S253 P259	S253-Q255 VanDerWaalsContact C-N 3.31Å; S253-Q255 PolarHBondContact OG-N 3.36Å; Q255-P259 WeakPolarHBondContact O-CD 3.28Å
256	S	88.3	Confident	92.8	Very high	13 Å²	13	50 Å²	50	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-75.1	-25.6	-178.2	63.8	0	0	0	0	113.2	S253 V254 L334 E335	S253-S256 PolarHBondContact O-OG 3.09Å; S253-S256 VanDerWaalsContact O-OG 3.09Å; V254-S256 PolarHBondContact O-N 3.33Å; S256-L334 WeakPolarHBondContact O-CD2 3.36Å; S256-L334 VanDerWaalsContact O-CG 3.32Å; S256-L334 WeakPolarHBondContact O-CG 3.46Å; S256-E335 WeakPolarHBondContact CB-OE1 3.47Å
257	I	91.2	Very high	92.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-97.9	-19.9	-176.5	-161.7	62.8	0	0	0	113.7	L245 I251 V254 A260 L261 I273	L245-I257 HydrophobicContact CD2-CD1 3.39Å; I251-I257 HydrophobicContact CD1-CD1 4.34Å; I251-I257 HydrophobicContact CG2-CB 4.19Å; V254-I257 WeakPolarHBondContact O-CG2 3.33Å; V254-I257 PolarHBondContact O-N 3.08Å; V254-I257 VanDerWaalsContact O-N 3.14Å; I257-A260 HydrophobicContact CD1-CB 4.15Å; I257-A260 PolarHBondContact O-N 3.46Å; I257-L261 HydrophobicContact CG1-CD1 4.18Å; I257-L261 HydrophobicContact CG1-CG 4.19Å; I257-L261 HydrophobicContact CG2-CD1 4.04Å; I257-L261 WeakPolarHBondContact O-CG 3.24Å; I257-L261 PolarHBondContact O-N 2.94Å; I257-L261 VanDerWaalsContact O-N 3.09Å; I257-I273 HydrophobicContact CD1-CD1 3.76Å; I257-I273 HydrophobicContact CD1-CG1 4.37Å; I257-I273 HydrophobicContact CG1-CD1 4.07Å
258	V	92.4	Very high	92.4	Very high	51 Å²	51	64.7 Å²	64.7	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-54.6	-49.2	-178.8	163.8	0	0	0	0	112.7	V254 A260 L261 E262	V254-V258 HydrophobicContact CG1-CG2 3.64Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.42Å; V254-V258 PolarHBondContact O-N 2.68Å; V254-V258 VanDerWaalsContact O-N 3.12Å; V258-A260 VanDerWaalsContact C-N 3.27Å; V258-A260 PolarHBondContact O-N 3.1Å; V258-L261 PolarHBondContact O-N 3.31Å; V258-L261 VanDerWaalsContact O-N 3.1Å; V258-E262 HydrophobicContact CG1-CG 4.21Å; V258-E262 WeakPolarHBondContact O-CG 3.14Å; V258-E262 PolarHBondContact O-N 3.38Å
259	P	93.8	Very high	92.4	Very high	33 Å²	33	66.2 Å²	66.2	21%	0.214	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-40.6	179.6	-26	36.1	0	0	0	112.5	Q255 L261 E262 I263 I337	Q255-P259 WeakPolarHBondContact O-CD 3.28Å; P259-L261 PolarHBondContact O-N 3.27Å; P259-E262 PolarHBondContact O-N 2.92Å; P259-I263 WeakPolarHBondContact O-CG1 3.44Å; P259-I263 PolarHBondContact O-N 3.2Å; P259-I263 VanDerWaalsContact O-N 3.09Å; P259-I337 HydrophobicContact CB-CG2 3.94Å
260	A	93.5	Very high	92.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-40.2	178.5	0	0	0	0	0	112.5	L245 I257 V258 A264 L271 I337 F342	L245-A260 HydrophobicContact CD2-CB 4.19Å; I257-A260 HydrophobicContact CD1-CB 4.15Å; I257-A260 PolarHBondContact O-N 3.46Å; V258-A260 VanDerWaalsContact C-N 3.27Å; V258-A260 PolarHBondContact O-N 3.1Å; A260-A264 WeakPolarHBondContact O-CB 3.38Å; A260-A264 PolarHBondContact O-N 2.94Å; A260-A264 VanDerWaalsContact O-N 3.1Å; A260-L271 HydrophobicContact CB-CD2 4.46Å; A260-I337 HydrophobicContact CB-CD1 4.28Å; A260-I337 HydrophobicContact CB-CG2 4.17Å; A260-F342 HydrophobicContact CB-CE1 4.16Å; A260-F342 HydrophobicContact CB-CZ 3.88Å
261	L	92.3	Very high	92.7	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-39.3	177.6	-65.5	167	0	0	0	111.8	I257 V258 P259 A264 N265 L271 L286 L295 V297	I257-L261 HydrophobicContact CG1-CD1 4.18Å; I257-L261 HydrophobicContact CG1-CG 4.19Å; I257-L261 HydrophobicContact CG2-CD1 4.04Å; I257-L261 WeakPolarHBondContact O-CG 3.24Å; I257-L261 PolarHBondContact O-N 2.94Å; I257-L261 VanDerWaalsContact O-N 3.09Å; V258-L261 PolarHBondContact O-N 3.31Å; V258-L261 VanDerWaalsContact O-N 3.1Å; P259-L261 PolarHBondContact O-N 3.27Å; L261-A264 PolarHBondContact O-N 3.04Å; L261-N265 WeakPolarHBondContact O-CB 3.35Å; L261-N265 PolarHBondContact O-N 3.19Å; L261-L271 HydrophobicContact CD2-CD2 3.81Å; L261-L286 HydrophobicContact CD1-CD2 3.9Å; L261-L286 HydrophobicContact CD2-CD2 3.67Å; L261-L286 HydrophobicContact CG-CD2 4.36Å; L261-L295 HydrophobicContact CD2-CD2 3.87Å; L261-V297 HydrophobicContact CD2-CG2 4.12Å
262	E	92	Very high	92.8	Very high	123 Å²	123	56.4 Å²	56.4	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-62.5	-46.6	177.5	-73.8	-180	170	0	0	111.4	V258 P259 N265 Q266	V258-E262 HydrophobicContact CG1-CG 4.21Å; V258-E262 WeakPolarHBondContact O-CG 3.14Å; V258-E262 PolarHBondContact O-N 3.38Å; P259-E262 PolarHBondContact O-N 2.92Å; E262-N265 PolarHBondContact O-N 3.13Å; E262-Q266 VanDerWaalsContact O-CB 3.28Å; E262-Q266 WeakPolarHBondContact O-CB 3.31Å; E262-Q266 PolarHBondContact O-N 3.25Å
263	I	94	Very high	93	Very high	27 Å²	27	54 Å²	54	14%	0.138	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-48.5	177.1	-65	167.2	0	0	0	110.7	P259 N265 Q266 H267 I337 A339 F342	P259-I263 WeakPolarHBondContact O-CG1 3.44Å; P259-I263 PolarHBondContact O-N 3.2Å; P259-I263 VanDerWaalsContact O-N 3.09Å; I263-N265 VanDerWaalsContact C-N 3.32Å; I263-N265 PolarHBondContact O-N 3.08Å; I263-Q266 PolarHBondContact O-N 2.91Å; I263-H267 PolarHBondContact O-CD2 3.09Å; I263-H267 VanDerWaalsContact O-CD2 3.3Å; I263-H267 PolarHBondContact O-N 2.85Å; I263-I337 HydrophobicContact CD1-CG2 4.18Å; I263-I337 VanDerWaalsContact CD1-O 3.26Å; I263-I337 WeakPolarHBondContact CD1-O 3.29Å; I263-A339 HydrophobicContact CG2-CB 4.02Å; I263-F342 HydrophobicContact CB-CE2 4.15Å; I263-F342 HydrophobicContact CD1-CE2 4.21Å; I263-F342 HydrophobicContact CG2-CD2 4.5Å; I263-F342 HydrophobicContact CG2-CE2 3.78Å
264	A	92.4	Very high	93.2	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-43.3	179.3	0	0	0	0	0	111.9	Y243 A260 L261 H267 R268 K269 L271	Y243-A264 HydrophobicContact CD2-CB 4.4Å; A260-A264 WeakPolarHBondContact O-CB 3.38Å; A260-A264 PolarHBondContact O-N 2.94Å; A260-A264 VanDerWaalsContact O-N 3.1Å; L261-A264 PolarHBondContact O-N 3.04Å; A264-H267 CarbonylContact O-C 3.59Å; A264-H267 PolarHBondContact O-N 3.3Å; A264-R268 PolarHBondContact O-N 3.29Å; A264-K269 PolarHBondContact O-N 3.47Å; A264-L271 HydrophobicContact CB-CB 3.94Å; A264-L271 HydrophobicContact CB-CD2 4.29Å; A264-L271 HydrophobicContact CB-CG 4.49Å
265	N	90.9	Very high	93.5	Very high	102 Å²	102	50.7 Å²	50.7	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-39.1	178.2	-172.6	54.8	0	0	0	112.5	L261 E262 I263 H267 R268 L295	L261-N265 WeakPolarHBondContact O-CB 3.35Å; L261-N265 PolarHBondContact O-N 3.19Å; E262-N265 PolarHBondContact O-N 3.13Å; I263-N265 VanDerWaalsContact C-N 3.32Å; I263-N265 PolarHBondContact O-N 3.08Å; N265-H267 VanDerWaalsContact C-N 3.3Å; N265-H267 PolarHBondContact O-N 2.98Å; N265-R268 PolarHBondContact O-N 3.47Å; N265-L295 HydrophobicContact CB-CD1 4.28Å
266	Q	92.7	Very high	93.7	Very high	153 Å²	153	46.1 Å²	46.1	72%	0.715	22%	0.219	S	C	*	.	H	α-helix	trans	-60.6	-41.1	175.9	-175.5	179	7.7	0	0	111.5	E262 I263 R268	E262-Q266 VanDerWaalsContact O-CB 3.28Å; E262-Q266 WeakPolarHBondContact O-CB 3.31Å; E262-Q266 PolarHBondContact O-N 3.25Å; I263-Q266 PolarHBondContact O-N 2.91Å; Q266-R268 VanDerWaalsContact C-N 3.28Å
267	H	91.5	Very high	94.1	Very high	96 Å²	96	46.8 Å²	46.8	44%	0.444	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.6	175.2	-75.1	-78.3	0	0	0	113.9	Y243 I263 A264 N265 K269	Y243-H267 HydrophobicContact CE2-CB 4.07Å; I263-H267 PolarHBondContact O-CD2 3.09Å; I263-H267 VanDerWaalsContact O-CD2 3.3Å; I263-H267 PolarHBondContact O-N 2.85Å; A264-H267 CarbonylContact O-C 3.59Å; A264-H267 PolarHBondContact O-N 3.3Å; N265-H267 VanDerWaalsContact C-N 3.3Å; N265-H267 PolarHBondContact O-N 2.98Å; H267-K269 HydrophobicContact CB-CG 4.31Å; H267-K269 PolarHBondContact O-N 3.49Å
268	R	91.5	Very high	94.3	Very high	221 Å²	221	46.8 Å²	46.8	83%	0.834	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.3	-176	-53.3	-175.9	-170.3	-162	2.2	113.1	A264 N265 Q266	A264-R268 PolarHBondContact O-N 3.29Å; N265-R268 PolarHBondContact O-N 3.47Å; Q266-R268 VanDerWaalsContact C-N 3.28Å
269	K	93.9	Very high	94.4	Very high	48 Å²	48	46.8 Å²	46.8	21%	0.209	22%	0.219	C	C	.	.			trans	-106.3	144.9	177.4	-68.3	-161.2	173.8	-155.7	0	111	D241 Y243 A264 H267	D241-K269 IonicContact OD1-NZ 2.75Å; D241-K269 PolarHBondContact OD1-NZ 2.94Å; D241-K269 VanDerWaalsContact OD2-CE 3.23Å; D241-K269 WeakPolarHBondContact OD2-CE 3.41Å; D241-K269 IonicContact OD2-NZ 2.82Å; D241-K269 PolarHBondContact OD2-NZ 2.93Å; Y243-K269 HydrophobicContact CD1-CD 4.4Å; Y243-K269 HydrophobicContact CD2-CB 4.04Å; Y243-K269 HydrophobicContact CD2-CD 4.32Å; Y243-K269 HydrophobicContact CE1-CD 4.03Å; Y243-K269 HydrophobicContact CE2-CB 4.19Å; Y243-K269 HydrophobicContact CE2-CD 3.96Å; Y243-K269 HydrophobicContact CE2-CG 4.39Å; A264-K269 PolarHBondContact O-N 3.47Å; H267-K269 HydrophobicContact CB-CG 4.31Å; H267-K269 PolarHBondContact O-N 3.49Å
270	P	96.7	Very high	94.4	Very high	10 Å²	10	47.4 Å²	47.4	7%	0.065	23%	0.232	C	C	.	.			trans	-60.1	148.6	167.8	-18.4	29.6	0	0	0	111.6	F239 A242 Y243 Q296	F239-P270 HydrophobicContact CB-CB 3.76Å; F239-P270 HydrophobicContact CB-CG 3.99Å; F239-P270 HydrophobicContact CD1-CB 3.63Å; F239-P270 HydrophobicContact CD1-CG 3.92Å; F239-P270 HydrophobicContact CD2-CB 3.75Å; F239-P270 HydrophobicContact CE1-CB 4.11Å; F239-P270 HydrophobicContact CE2-CB 4.19Å; F239-P270 HydrophobicContact CG-CB 3.45Å; F239-P270 VanDerWaalsContact CG-CB 3.45Å; F239-P270 HydrophobicContact CG-CG 4.01Å; F239-P270 HydrophobicContact CZ-CB 4.38Å; A242-P270 WeakPolarHBondContact CA-O 3.35Å; A242-P270 HydrophobicContact CB-CB 4.01Å; Y243-P270 PolarHBondContact N-O 3.02Å; P270-Q296 CarbonylContact C-O 3.54Å; P270-Q296 VanDerWaalsContact CA-O 3.28Å; P270-Q296 WeakPolarHBondContact CA-O 2.89Å; P270-Q296 HydrophobicContact CB-CB 3.96Å; P270-Q296 HydrophobicContact CG-CB 4.27Å
271	L	96.9	Very high	94.4	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.9	177.2	-178.7	63.5	0	0	0	111.4	L245 A260 L261 A264 I273 Q296 V297 V298 F342	L245-L271 HydrophobicContact CB-CD1 4.14Å; A260-L271 HydrophobicContact CB-CD2 4.46Å; L261-L271 HydrophobicContact CD2-CD2 3.81Å; A264-L271 HydrophobicContact CB-CB 3.94Å; A264-L271 HydrophobicContact CB-CD2 4.29Å; A264-L271 HydrophobicContact CB-CG 4.49Å; L271-I273 HydrophobicContact CD2-CD1 4.17Å; L271-I273 HydrophobicContact CD2-CG1 4.05Å; L271-I273 HydrophobicContact CG-CG1 4Å; L271-Q296 PolarHBondContact N-O 3.31Å; L271-V297 HydrophobicContact CB-CG2 4.21Å; L271-V297 HydrophobicContact CD2-CG2 4.43Å; L271-V297 HydrophobicContact CG-CG2 4.44Å; L271-V297 VanDerWaalsContact O-CA 3.28Å; L271-V297 WeakPolarHBondContact O-CA 3.25Å; L271-V298 PolarHBondContact O-N 3.46Å; L271-F342 HydrophobicContact CD1-CD1 3.99Å; L271-F342 HydrophobicContact CD1-CE1 3.62Å
272	V	97.6	Very high	94.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.6	172.2	-177.6	0	0	0	0	108.1	F239 A242 Y243 L244 L245 V274 V298 V348 I350	F239-V272 HydrophobicContact CD2-CG2 4.03Å; A242-V272 HydrophobicContact CB-CG2 4.17Å; Y243-V272 PolarHBondContact O-N 2.91Å; L244-V272 CarbonylContact C-O 3.59Å; L244-V272 WeakPolarHBondContact CA-O 3.47Å; L244-V272 HydrophobicContact CD1-CB 3.82Å; L244-V272 HydrophobicContact CD1-CG1 3.64Å; L245-V272 PolarHBondContact N-O 3Å; V272-V274 HydrophobicContact CG1-CG2 4.38Å; V272-V298 HydrophobicContact CB-CG1 4.16Å; V272-V298 HydrophobicContact CG1-CG1 4.04Å; V272-V298 HydrophobicContact CG2-CG1 3.81Å; V272-V348 HydrophobicContact CG2-CB 4.27Å; V272-V348 HydrophobicContact CG2-CG1 3.99Å; V272-V348 HydrophobicContact CG2-CG2 4.1Å; V272-I350 HydrophobicContact CG1-CD1 4.2Å
273	I	97.6	Very high	94.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.8	-179	-56.9	166.6	0	0	0	108.4	L245 I251 I257 L271 V278 L286 V297 V298 A299 V300	L245-I273 HydrophobicContact CB-CG1 4.43Å; L245-I273 HydrophobicContact CD2-CG1 4.18Å; L245-I273 HydrophobicContact CD2-CG2 4.08Å; I251-I273 HydrophobicContact CD1-CG2 3.93Å; I257-I273 HydrophobicContact CD1-CD1 3.76Å; I257-I273 HydrophobicContact CD1-CG1 4.37Å; I257-I273 HydrophobicContact CG1-CD1 4.07Å; L271-I273 HydrophobicContact CD2-CD1 4.17Å; L271-I273 HydrophobicContact CD2-CG1 4.05Å; L271-I273 HydrophobicContact CG-CG1 4Å; I273-V278 HydrophobicContact CG2-CG2 4.07Å; I273-L286 HydrophobicContact CD1-CD1 3.8Å; I273-L286 HydrophobicContact CD1-CD2 4.02Å; I273-V297 HydrophobicContact CD1-CG2 3.84Å; I273-V297 HydrophobicContact CG1-CG2 4.42Å; I273-V298 PolarHBondContact N-O 3.4Å; I273-A299 HydrophobicContact CB-CB 4.45Å; I273-A299 WeakPolarHBondContact O-CA 3.42Å; I273-V300 PolarHBondContact O-N 3.48Å
274	V	97.6	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.6	172.5	-175.8	0	0	0	0	108.3	F219 L244 L245 L246 S247 V272 V300 A302 L313 M316	F219-V274 HydrophobicContact CZ-CG2 4.22Å; L244-V274 HydrophobicContact CD1-CG2 3.74Å; L245-V274 PolarHBondContact O-N 2.87Å; L246-V274 CarbonylContact C-O 3.51Å; L246-V274 WeakPolarHBondContact CA-O 3.47Å; L246-V274 HydrophobicContact CD2-CB 3.88Å; L246-V274 HydrophobicContact CD2-CG1 4.47Å; L246-V274 HydrophobicContact CD2-CG2 4.34Å; S247-V274 PolarHBondContact N-O 3.41Å; V272-V274 HydrophobicContact CG1-CG2 4.38Å; V274-V300 WeakPolarHBondContact CA-O 3.43Å; V274-A302 HydrophobicContact CG1-CB 4.11Å; V274-L313 HydrophobicContact CG1-CD2 4.08Å; V274-M316 HydrophobicContact CG1-CE 4.11Å
275	A	96.6	Very high	94.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	164	-177.4	0	0	0	0	0	111.1	S247 I251 D277 V278 V300 K301 A302	S247-A275 VanDerWaalsContact O-CA 3.3Å; S247-A275 WeakPolarHBondContact O-CA 3.36Å; I251-A275 HydrophobicContact CD1-CB 3.82Å; I251-A275 HydrophobicContact CG1-CB 4.01Å; A275-D277 PolarHBondContact O-N 3.18Å; A275-V278 HydrophobicContact CB-CG2 3.86Å; A275-V300 PolarHBondContact N-O 2.85Å; A275-K301 CarbonylContact O-C 3.6Å; A275-K301 WeakPolarHBondContact O-CA 3.37Å; A275-A302 PolarHBondContact O-N 3.42Å
276	E	95	Very high	94.8	Very high	64 Å²	64	47.5 Å²	47.5	30%	0.299	24%	0.24	S	C	.	.	S	Bend	trans	-50	-45.6	171	161.9	169.1	-139.8	0	0	111.5	S247 E248 K249 K250 R309	S247-E276 PolarHBondContact O-N 2.97Å; E248-E276 WeakPolarHBondContact O-CB 3.4Å; K249-E276 PolarHBondContact O-N 2.81Å; K250-E276 HydrophobicContact CG-CB 4.16Å; K250-E276 HydrophobicContact CG-CG 3.7Å; E276-R309 VanDerWaalsContact CD-NH1 3.29Å; E276-R309 VanDerWaalsContact CG-NH1 3.29Å; E276-R309 IonicContact OE1-CZ 3.14Å; E276-R309 VanDerWaalsContact OE1-CZ 3.28Å; E276-R309 IonicContact OE1-NH1 2.77Å; E276-R309 PolarHBondContact OE1-NH1 3.2Å; E276-R309 IonicContact OE1-NH2 2.68Å; E276-R309 PolarHBondContact OE1-NH2 3.32Å; E276-R309 IonicContact OE2-NH2 3.8Å; E276-R309 PolarHBondContact OE2-NH2 3.49Å
277	D	95.2	Very high	94.8	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.139	21%	0.211	C	C	.	.			trans	-156.6	154.8	168.3	-146.3	-13.9	0	0	0	109.9	K250 I251 A275 K301	K250-D277 WeakPolarHBondContact CA-O 3.49Å; K250-D277 HydrophobicContact CD-CB 4.02Å; K250-D277 HydrophobicContact CG-CB 3.85Å; I251-D277 PolarHBondContact N-O 3.16Å; A275-D277 PolarHBondContact O-N 3.18Å; D277-K301 WeakPolarHBondContact OD1-CE 3.39Å; D277-K301 IonicContact OD1-NZ 2.86Å; D277-K301 PolarHBondContact OD1-NZ 3.19Å; D277-K301 IonicContact OD2-NZ 3.5Å; D277-K301 PolarHBondContact OD2-NZ 3.4Å
278	V	96.1	Very high	94.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-124.2	110.6	168.9	-174.5	0	0	0	0	107.4	I224 I251 I273 A275 A282 L283 L286 A299	I224-V278 HydrophobicContact CD1-CB 3.78Å; I224-V278 HydrophobicContact CD1-CG2 4.12Å; I251-V278 HydrophobicContact CB-CG2 4.43Å; I251-V278 WeakPolarHBondContact O-CA 3.42Å; I273-V278 HydrophobicContact CG2-CG2 4.07Å; A275-V278 HydrophobicContact CB-CG2 3.86Å; V278-A282 HydrophobicContact CG1-CB 4.35Å; V278-L283 HydrophobicContact CG1-CB 4.29Å; V278-L286 HydrophobicContact CG1-CD1 3.89Å; V278-A299 HydrophobicContact CB-CB 4.09Å; V278-A299 HydrophobicContact CG1-CB 4.27Å; V278-A299 HydrophobicContact CG2-CB 3.99Å
279	D	94.6	Very high	94.7	Very high	51 Å²	51	32.4 Å²	32.4	27%	0.273	18%	0.184	S	C	.	.			trans	-137.6	-173.3	-171.9	67.7	12.3	0	0	0	112.4	I251 S252 E281 A282 L283	I251-D279 PolarHBondContact O-N 3.33Å; S252-D279 WeakPolarHBondContact CA-OD1 3.31Å; S252-D279 WeakPolarHBondContact CB-OD1 3.39Å; S252-D279 PolarHBondContact OG-OD1 2.92Å; D279-E281 PolarHBondContact O-N 2.73Å; D279-A282 PolarHBondContact O-N 3.05Å; D279-L283 PolarHBondContact O-N 3.43Å
280	G	93.3	Very high	94.6	Very high	47 Å²	47	32.3 Å²	32.3	49%	0.485	18%	0.182	S	C	.	.	H	α-helix	trans	57.2	-132	172.7	0	0	0	0	0	114.6	S284	G280-S284 PolarHBondContact O-N 3.35Å; G280-S284 PolarHBondContact O-OG 3.43Å
281	E	93.8	Very high	94.3	Very high	125 Å²	125	36.7 Å²	36.7	58%	0.584	21%	0.205	S	C	*	.	H	α-helix	trans	-72.2	-35.3	-175.6	-159.2	-167.6	161.3	0	0	111.5	S252 V254 D279 S284 T285	S252-E281 PolarHBondContact O-N 3.45Å; V254-E281 HydrophobicContact CG2-CB 3.81Å; V254-E281 HydrophobicContact CG2-CG 3.44Å; V254-E281 VanDerWaalsContact CG2-CG 3.44Å; V254-E281 WeakPolarHBondContact CG2-O 3.45Å; D279-E281 PolarHBondContact O-N 2.73Å; E281-S284 PolarHBondContact O-N 2.93Å; E281-T285 WeakPolarHBondContact O-CB 2.98Å; E281-T285 PolarHBondContact O-N 3.31Å; E281-T285 PolarHBondContact O-OG1 3.32Å
282	A	94.4	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-53.2	177	0	0	0	0	0	111.5	I251 S252 V278 D279 S284 T285 L286	I251-A282 HydrophobicContact CG2-CB 4.01Å; S252-A282 PolarHBondContact O-N 3.4Å; V278-A282 HydrophobicContact CG1-CB 4.35Å; D279-A282 PolarHBondContact O-N 3.05Å; A282-S284 VanDerWaalsContact C-N 3.34Å; A282-S284 PolarHBondContact O-N 3.5Å; A282-T285 PolarHBondContact O-N 3.47Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.18Å
283	L	95.1	Very high	93.3	Very high	36 Å²	36	49.5 Å²	49.5	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-43.9	179.3	-178.5	63.4	0	0	0	112	I224 F228 V278 D279 T285 L286 V287	I224-L283 HydrophobicContact CB-CD1 4.47Å; I224-L283 HydrophobicContact CG2-CD1 4.04Å; I224-L283 HydrophobicContact CG2-CD2 3.81Å; F228-L283 HydrophobicContact CE2-CD1 4.12Å; F228-L283 HydrophobicContact CZ-CD1 4.09Å; V278-L283 HydrophobicContact CG1-CB 4.29Å; D279-L283 PolarHBondContact O-N 3.43Å; L283-T285 VanDerWaalsContact C-N 3.27Å; L283-T285 PolarHBondContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 3Å; L283-V287 HydrophobicContact CD1-CG2 4.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.33Å; L283-V287 PolarHBondContact O-N 2.92Å
284	S	93.8	Very high	92.7	Very high	77 Å²	77	51.4 Å²	51.4	54%	0.538	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-40.8	179	-59.3	0	0	0	0	111.4	G280 E281 A282 L288	G280-S284 PolarHBondContact O-N 3.35Å; G280-S284 PolarHBondContact O-OG 3.43Å; E281-S284 PolarHBondContact O-N 2.93Å; A282-S284 VanDerWaalsContact C-N 3.34Å; A282-S284 PolarHBondContact O-N 3.5Å; S284-L288 VanDerWaalsContact O-CB 3.27Å; S284-L288 WeakPolarHBondContact O-CB 3.41Å; S284-L288 PolarHBondContact O-N 3.08Å
285	T	92.1	Very high	92.3	Very high	36 Å²	36	53 Å²	53	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-42.2	178.8	-60.4	0	0	0	0	112	V254 E281 A282 L283 L288 N289	V254-T285 HydrophobicContact CG1-CG2 4.2Å; V254-T285 HydrophobicContact CG2-CG2 4.36Å; V254-T285 WeakPolarHBondContact CG2-OG1 3.28Å; E281-T285 WeakPolarHBondContact O-CB 2.98Å; E281-T285 PolarHBondContact O-N 3.31Å; E281-T285 PolarHBondContact O-OG1 3.32Å; A282-T285 PolarHBondContact O-N 3.47Å; L283-T285 VanDerWaalsContact C-N 3.27Å; L283-T285 PolarHBondContact O-N 3.08Å; T285-L288 PolarHBondContact O-N 2.99Å; T285-N289 WeakPolarHBondContact CG2-ND2 3.12Å; T285-N289 WeakPolarHBondContact O-CB 3.22Å; T285-N289 PolarHBondContact O-N 3.22Å; T285-N289 PolarHBondContact O-ND2 3.06Å
286	L	94.3	Very high	92.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-47.8	175.5	-68.5	175.4	0	0	0	111.4	F228 L261 I273 V278 A282 L283 N289 R290 V297 A299	F228-L286 HydrophobicContact CE1-CB 4.11Å; F228-L286 HydrophobicContact CZ-CB 4.01Å; L261-L286 HydrophobicContact CD1-CD2 3.9Å; L261-L286 HydrophobicContact CD2-CD2 3.67Å; L261-L286 HydrophobicContact CG-CD2 4.36Å; I273-L286 HydrophobicContact CD1-CD1 3.8Å; I273-L286 HydrophobicContact CD1-CD2 4.02Å; V278-L286 HydrophobicContact CG1-CD1 3.89Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.18Å; L283-L286 PolarHBondContact O-N 3Å; L286-N289 PolarHBondContact O-N 3.03Å; L286-R290 VanDerWaalsContact O-CB 3.28Å; L286-R290 WeakPolarHBondContact O-CB 3.48Å; L286-R290 PolarHBondContact O-N 3.19Å; L286-V297 HydrophobicContact CB-CG1 4.43Å; L286-V297 HydrophobicContact CD2-CG1 4.09Å; L286-V297 HydrophobicContact CD2-CG2 3.82Å; L286-A299 HydrophobicContact CD1-CB 4.16Å
287	V	93.8	Very high	92.2	Very high	19 Å²	19	54.7 Å²	54.7	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-64.3	-44.3	179.4	171.4	0	0	0	0	111.1	Y227 F228 L283 N289 R290 L291	Y227-V287 HydrophobicContact CD2-CG1 3.71Å; Y227-V287 HydrophobicContact CG-CG1 3.94Å; F228-V287 HydrophobicContact CE1-CG2 4.15Å; F228-V287 HydrophobicContact CZ-CG2 3.91Å; L283-V287 HydrophobicContact CD1-CG2 4.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.33Å; L283-V287 PolarHBondContact O-N 2.92Å; V287-N289 PolarHBondContact O-N 3.34Å; V287-R290 PolarHBondContact O-N 3.48Å; V287-L291 HydrophobicContact CG1-CD1 3.83Å; V287-L291 HydrophobicContact CG1-CG 4.4Å; V287-L291 WeakPolarHBondContact O-CB 3.25Å; V287-L291 WeakPolarHBondContact O-CG 3.19Å; V287-L291 PolarHBondContact O-N 3.47Å
288	L	91.5	Very high	92.3	Very high	87 Å²	87	53.4 Å²	53.4	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-43.4	179.9	-172.6	151.3	0	0	0	111.7	S284 T285 L291 K292	S284-L288 VanDerWaalsContact O-CB 3.27Å; S284-L288 WeakPolarHBondContact O-CB 3.41Å; S284-L288 PolarHBondContact O-N 3.08Å; T285-L288 PolarHBondContact O-N 2.99Å; L288-L291 PolarHBondContact O-N 2.61Å; L288-K292 HydrophobicContact CD2-CD 3.89Å; L288-K292 HydrophobicContact CD2-CG 4.31Å; L288-K292 HydrophobicContact CG-CD 4.25Å; L288-K292 HydrophobicContact CG-CG 4.48Å; L288-K292 WeakPolarHBondContact O-CB 3.37Å; L288-K292 PolarHBondContact O-N 2.92Å
289	N	89.6	Confident	92.4	Very high	48 Å²	48	53.4 Å²	53.4	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-68.7	-37.9	177.2	-77.5	-63.8	0	0	0	112.2	T285 L286 V287 L291 V293 G294 L295	T285-N289 WeakPolarHBondContact CG2-ND2 3.12Å; T285-N289 WeakPolarHBondContact O-CB 3.22Å; T285-N289 PolarHBondContact O-N 3.22Å; T285-N289 PolarHBondContact O-ND2 3.06Å; L286-N289 PolarHBondContact O-N 3.03Å; V287-N289 PolarHBondContact O-N 3.34Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 3.21Å; N289-V293 CarbonylContact O-C 2.96Å; N289-V293 WeakPolarHBondContact O-CA 3.16Å; N289-V293 WeakPolarHBondContact O-CB 3.4Å; N289-V293 PolarHBondContact O-N 2.87Å; N289-G294 PolarHBondContact O-N 3.21Å; N289-G294 VanDerWaalsContact O-N 3.08Å; N289-L295 HydrophobicContact CB-CB 4.24Å; N289-L295 HydrophobicContact CB-CD2 4.16Å; N289-L295 PolarHBondContact O-N 3.46Å
290	R	90.6	Very high	92.5	Very high	45 Å²	45	51 Å²	51	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-41.3	173.2	176.5	64.2	-175	84.1	4.9	112.2	F228 I229 N230 L286 V287 G294 L295 V297	F228-R290 HydrophobicContact CD1-CB 4.42Å; F228-R290 HydrophobicContact CD1-CG 4.16Å; I229-R290 PolarHBondContact O-NH2 3.42Å; N230-R290 VanDerWaalsContact CB-NH2 3.32Å; L286-R290 VanDerWaalsContact O-CB 3.28Å; L286-R290 WeakPolarHBondContact O-CB 3.48Å; L286-R290 PolarHBondContact O-N 3.19Å; V287-R290 PolarHBondContact O-N 3.48Å; R290-G294 WeakPolarHBondContact O-CA 3.42Å; R290-G294 PolarHBondContact O-N 3.12Å; R290-L295 WeakPolarHBondContact CD-O 3.29Å; R290-V297 HydrophobicContact CB-CG1 4.49Å
291	L	89.9	Confident	92.7	Very high	103 Å²	103	52 Å²	52	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-81	-40.7	-177.6	-70.4	174.6	0	0	0	113.5	Y227 V287 L288 N289	Y227-L291 HydrophobicContact CD1-CD1 4.03Å; Y227-L291 HydrophobicContact CD1-CD2 4.07Å; Y227-L291 HydrophobicContact CE1-CD1 4.47Å; Y227-L291 HydrophobicContact CG-CD1 4.19Å; V287-L291 HydrophobicContact CG1-CD1 3.83Å; V287-L291 HydrophobicContact CG1-CG 4.4Å; V287-L291 WeakPolarHBondContact O-CB 3.25Å; V287-L291 WeakPolarHBondContact O-CG 3.19Å; V287-L291 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 2.61Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 3.21Å
292	K	89.3	Confident	92.7	Very high	166 Å²	166	46.3 Å²	46.3	72%	0.722	25%	0.25	S	S	*	.	H	α-helix	trans	-89.4	-42.1	-175.5	-69.7	-162.9	179.4	-177	0	113.8	L288	L288-K292 HydrophobicContact CD2-CD 3.89Å; L288-K292 HydrophobicContact CD2-CG 4.31Å; L288-K292 HydrophobicContact CG-CD 4.25Å; L288-K292 HydrophobicContact CG-CG 4.48Å; L288-K292 WeakPolarHBondContact O-CB 3.37Å; L288-K292 PolarHBondContact O-N 2.92Å
293	V	86	Confident	92.6	Very high	107 Å²	107	46.7 Å²	46.7	65%	0.648	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-16.8	-172.9	-172.9	0	0	0	0	111	N289 L295	N289-V293 CarbonylContact O-C 2.96Å; N289-V293 WeakPolarHBondContact O-CA 3.16Å; N289-V293 WeakPolarHBondContact O-CB 3.4Å; N289-V293 PolarHBondContact O-N 2.87Å; V293-L295 VanDerWaalsContact C-N 3.3Å
294	G	84.3	Confident	92.3	Very high	41 Å²	41	46.2 Å²	46.2	42%	0.423	26%	0.257	S	S	.	.			trans	75.1	20.6	-176	0	0	0	0	0	113	N289 R290 Q296	N289-G294 PolarHBondContact O-N 3.21Å; N289-G294 VanDerWaalsContact O-N 3.08Å; R290-G294 WeakPolarHBondContact O-CA 3.42Å; R290-G294 PolarHBondContact O-N 3.12Å; G294-Q296 PolarHBondContact O-N 3.08Å
295	L	88.3	Confident	91.9	Very high	32 Å²	32	51 Å²	51	17%	0.168	27%	0.268	C	S	.	.			trans	-57.6	126.9	178.9	-174.8	66.9	0	0	0	110.2	L261 N265 N289 R290 V293 V297	L261-L295 HydrophobicContact CD2-CD2 3.87Å; N265-L295 HydrophobicContact CB-CD1 4.28Å; N289-L295 HydrophobicContact CB-CB 4.24Å; N289-L295 HydrophobicContact CB-CD2 4.16Å; N289-L295 PolarHBondContact O-N 3.46Å; R290-L295 WeakPolarHBondContact CD-O 3.29Å; V293-L295 VanDerWaalsContact C-N 3.3Å; L295-V297 HydrophobicContact CD2-CG1 4.27Å; L295-V297 HydrophobicContact CG-CB 4.49Å; L295-V297 HydrophobicContact CG-CG1 4.37Å; L295-V297 PolarHBondContact O-N 2.91Å
296	Q	94.1	Very high	91.8	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.463	27%	0.273	S	S	.	.			trans	-80	84.5	-178.6	-67.5	179.5	-33.7	0	0	110.1	F239 P270 L271 G294	F239-Q296 HydrophobicContact CD1-CB 4.46Å; F239-Q296 HydrophobicContact CE1-CB 3.75Å; F239-Q296 HydrophobicContact CE1-CG 4.2Å; F239-Q296 HydrophobicContact CZ-CB 4.07Å; P270-Q296 CarbonylContact C-O 3.54Å; P270-Q296 VanDerWaalsContact CA-O 3.28Å; P270-Q296 WeakPolarHBondContact CA-O 2.89Å; P270-Q296 HydrophobicContact CB-CB 3.96Å; P270-Q296 HydrophobicContact CG-CB 4.27Å; L271-Q296 PolarHBondContact N-O 3.31Å; G294-Q296 PolarHBondContact O-N 3.08Å
297	V	96.2	Very high	91.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.9	-179.9	67.9	0	0	0	0	111.8	F228 L261 L271 I273 L286 R290 L295	F228-V297 WeakPolarHBondContact CD1-O 3.25Å; F228-V297 HydrophobicContact CE1-CG1 4.29Å; L261-V297 HydrophobicContact CD2-CG2 4.12Å; L271-V297 HydrophobicContact CB-CG2 4.21Å; L271-V297 HydrophobicContact CD2-CG2 4.43Å; L271-V297 HydrophobicContact CG-CG2 4.44Å; L271-V297 VanDerWaalsContact O-CA 3.28Å; L271-V297 WeakPolarHBondContact O-CA 3.25Å; I273-V297 HydrophobicContact CD1-CG2 3.84Å; I273-V297 HydrophobicContact CG1-CG2 4.42Å; L286-V297 HydrophobicContact CB-CG1 4.43Å; L286-V297 HydrophobicContact CD2-CG1 4.09Å; L286-V297 HydrophobicContact CD2-CG2 3.82Å; R290-V297 HydrophobicContact CB-CG1 4.49Å; L295-V297 HydrophobicContact CD2-CG1 4.27Å; L295-V297 HydrophobicContact CG-CB 4.49Å; L295-V297 HydrophobicContact CG-CG1 4.37Å; L295-V297 PolarHBondContact O-N 2.91Å
298	V	97.3	Very high	91.3	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.2	173.6	64.1	0	0	0	0	110.2	F228 C237 F239 L271 V272 I273 V300 I350	F228-V298 HydrophobicContact CB-CB 4.24Å; F228-V298 HydrophobicContact CB-CG2 3.81Å; F228-V298 HydrophobicContact CD2-CG2 4.1Å; F228-V298 HydrophobicContact CG-CB 4.34Å; F228-V298 HydrophobicContact CG-CG2 4.06Å; C237-V298 HydrophobicContact CB-CG2 4.37Å; F239-V298 HydrophobicContact CD2-CG1 4.05Å; F239-V298 HydrophobicContact CE2-CB 3.94Å; F239-V298 HydrophobicContact CE2-CG1 3.57Å; L271-V298 PolarHBondContact O-N 3.46Å; V272-V298 HydrophobicContact CB-CG1 4.16Å; V272-V298 HydrophobicContact CG1-CG1 4.04Å; V272-V298 HydrophobicContact CG2-CG1 3.81Å; I273-V298 PolarHBondContact N-O 3.4Å; V298-V300 HydrophobicContact CG2-CG2 4.41Å; V298-I350 HydrophobicContact CB-CD1 4.1Å; V298-I350 HydrophobicContact CG1-CD1 3.28Å; V298-I350 HydrophobicContact CG2-CD1 3.68Å; V298-I350 HydrophobicContact CG2-CG2 4.48Å
299	A	97.5	Very high	91.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.6	177	0	0	0	0	0	111	I224 F228 I273 V278 L286	I224-A299 HydrophobicContact CD1-CB 4.1Å; I224-A299 PolarHBondContact N-O 2.86Å; F228-A299 HydrophobicContact CE2-CB 3.99Å; F228-A299 HydrophobicContact CZ-CB 4.26Å; I273-A299 HydrophobicContact CB-CB 4.45Å; I273-A299 WeakPolarHBondContact O-CA 3.42Å; V278-A299 HydrophobicContact CB-CB 4.09Å; V278-A299 HydrophobicContact CG1-CB 4.27Å; V278-A299 HydrophobicContact CG2-CB 3.99Å; L286-A299 HydrophobicContact CD1-CB 4.16Å
300	V	97.3	Very high	91.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.8	-176.6	-179.2	0	0	0	0	108.6	F219 R221 G222 I273 V274 A275 V298 I350 T355	F219-V300 HydrophobicContact CE2-CG1 3.71Å; F219-V300 HydrophobicContact CZ-CG1 4.18Å; R221-V300 HydrophobicContact CB-CG1 3.75Å; R221-V300 VanDerWaalsContact O-CG1 3.27Å; R221-V300 WeakPolarHBondContact O-CG1 3.47Å; G222-V300 WeakPolarHBondContact O-CG1 3.35Å; I273-V300 PolarHBondContact O-N 3.48Å; V274-V300 WeakPolarHBondContact CA-O 3.43Å; A275-V300 PolarHBondContact N-O 2.85Å; V298-V300 HydrophobicContact CG2-CG2 4.41Å; V300-I350 HydrophobicContact CG2-CD1 3.88Å; V300-I350 HydrophobicContact CG2-CG1 4.3Å; V300-I350 HydrophobicContact CG2-CG2 3.89Å; V300-T355 WeakPolarHBondContact CG1-OG1 3.43Å
301	K	97	Very high	91.6	Very high	70 Å²	70	56.3 Å²	56.3	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	146.5	174	-57.1	-163.1	-171.5	-151.2	0	110.9	R221 I224 A275 D277	R221-K301 VanDerWaalsContact CB-O 3.23Å; R221-K301 WeakPolarHBondContact CB-O 3.43Å; R221-K301 HydrophobicContact CG-CB 4.49Å; R221-K301 VanDerWaalsContact CG-O 3.29Å; R221-K301 WeakPolarHBondContact CG-O 3.38Å; I224-K301 HydrophobicContact CD1-CG 3.89Å; I224-K301 HydrophobicContact CG1-CG 3.9Å; A275-K301 CarbonylContact O-C 3.6Å; A275-K301 WeakPolarHBondContact O-CA 3.37Å; D277-K301 WeakPolarHBondContact OD1-CE 3.39Å; D277-K301 IonicContact OD1-NZ 2.86Å; D277-K301 PolarHBondContact OD1-NZ 3.19Å; D277-K301 IonicContact OD2-NZ 3.5Å; D277-K301 PolarHBondContact OD2-NZ 3.4Å
302	A	95.4	Very high	91.8	Very high	4 Å²	4	52 Å²	52	3%	0.033	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.5	140.2	174.9	0	0	0	0	0	110.4	V274 A275 R309 L313	V274-A302 HydrophobicContact CG1-CB 4.11Å; A275-A302 PolarHBondContact O-N 3.42Å; A302-R309 HydrophobicContact CB-CG 3.81Å; A302-L313 HydrophobicContact CB-CD1 4.12Å; A302-L313 HydrophobicContact CB-CD2 4.08Å; A302-L313 HydrophobicContact CB-CG 4.18Å
303	P	92.3	Very high	92.1	Very high	8 Å²	8	44 Å²	44	5%	0.052	24%	0.242	C	C	.	.	S	Bend	trans	-76.3	156.9	177.7	33.6	-36.1	0	0	0	111.4	F219 R221 R309 Q312 M316	F219-P303 HydrophobicContact CB-CB 3.81Å; F219-P303 HydrophobicContact CB-CG 3.97Å; F219-P303 HydrophobicContact CD2-CB 3.77Å; F219-P303 HydrophobicContact CD2-CG 3.79Å; F219-P303 HydrophobicContact CE2-CG 4.37Å; F219-P303 HydrophobicContact CG-CB 4.03Å; F219-P303 HydrophobicContact CG-CG 3.86Å; R221-P303 HydrophobicContact CG-CB 4.42Å; P303-R309 WeakPolarHBondContact O-CA 3.01Å; P303-R309 WeakPolarHBondContact O-CB 3.13Å; P303-R309 WeakPolarHBondContact O-CG 3.47Å; P303-Q312 HydrophobicContact CG-CB 4.24Å; P303-Q312 VanDerWaalsContact CG-OE1 3.23Å; P303-M316 HydrophobicContact CG-CE 3.97Å
304	G	87.6	Confident	92.4	Very high	27 Å²	27	44 Å²	44	28%	0.278	23%	0.233	S	C	.	.	S	Bend	trans	77.5	-176.2	-177.6	0	0	0	0	0	114.9
305	F	85.8	Confident	92.8	Very high	177 Å²	177	42.2 Å²	42.2	78%	0.776	21%	0.214	S	C	*	.	S	Bend	trans	-141.2	151.4	179.1	-176.7	-96.9	0	0	0	109.7	D307 N308 R309	F305-D307 PolarHBondContact O-N 3.03Å; F305-N308 WeakPolarHBondContact O-CB 3.38Å; F305-N308 PolarHBondContact O-N 3.49Å; F305-R309 PolarHBondContact O-N 2.79Å
306	G	90	Very high	93.1	Very high	31 Å²	31	40.8 Å²	40.8	32%	0.32	21%	0.206	S	C	.	.	H	α-helix	trans	53.8	-134.8	179.7	0	0	0	0	0	112.7	N308 R309 K310	G306-N308 VanDerWaalsContact C-N 3.26Å; G306-N308 PolarHBondContact O-N 3Å; G306-R309 WeakPolarHBondContact O-CB 3.32Å; G306-R309 PolarHBondContact O-N 2.85Å; G306-R309 VanDerWaalsContact O-N 3.12Å; G306-K310 PolarHBondContact O-N 3.27Å
307	D	87.9	Confident	93.1	Very high	118 Å²	118	36.3 Å²	36.3	63%	0.631	19%	0.187	S	C	*	.	H	α-helix	trans	-65.6	-27.4	-178.5	-62.6	-33.2	0	0	0	113.5	F305 R309 K310 N311	F305-D307 PolarHBondContact O-N 3.03Å; D307-R309 VanDerWaalsContact C-N 3.28Å; D307-R309 PolarHBondContact O-N 2.95Å; D307-K310 PolarHBondContact O-N 3.21Å; D307-N311 PolarHBondContact O-N 3.04Å; D307-N311 PolarHBondContact O-ND2 2.96Å
308	N	89.1	Confident	93	Very high	33 Å²	33	38.2 Å²	38.2	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-35.7	175.2	-175.4	48.3	0	0	0	111.2	F305 G306 N311 Q312	F305-N308 WeakPolarHBondContact O-CB 3.38Å; F305-N308 PolarHBondContact O-N 3.49Å; G306-N308 VanDerWaalsContact C-N 3.26Å; G306-N308 PolarHBondContact O-N 3Å; N308-N311 PolarHBondContact O-N 3.5Å; N308-Q312 PolarHBondContact ND2-NE2 3.42Å; N308-Q312 VanDerWaalsContact ND2-NE2 3.1Å; N308-Q312 WeakPolarHBondContact O-CB 3.35Å; N308-Q312 VanDerWaalsContact O-CG 3.31Å; N308-Q312 WeakPolarHBondContact O-CG 3.35Å; N308-Q312 PolarHBondContact O-N 3.44Å; N308-Q312 PolarHBondContact OD1-NE2 3.28Å
309	R	93.4	Very high	92.7	Very high	36 Å²	36	39 Å²	39	14%	0.136	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-45.7	174.7	179.5	175.7	69.8	-165.3	8.6	111.6	E276 A302 P303 F305 G306 D307 N311 Q312 L313	E276-R309 VanDerWaalsContact CD-NH1 3.29Å; E276-R309 VanDerWaalsContact CG-NH1 3.29Å; E276-R309 IonicContact OE1-CZ 3.14Å; E276-R309 VanDerWaalsContact OE1-CZ 3.28Å; E276-R309 IonicContact OE1-NH1 2.77Å; E276-R309 PolarHBondContact OE1-NH1 3.2Å; E276-R309 IonicContact OE1-NH2 2.68Å; E276-R309 PolarHBondContact OE1-NH2 3.32Å; E276-R309 IonicContact OE2-NH2 3.8Å; E276-R309 PolarHBondContact OE2-NH2 3.49Å; A302-R309 HydrophobicContact CB-CG 3.81Å; P303-R309 WeakPolarHBondContact O-CA 3.01Å; P303-R309 WeakPolarHBondContact O-CB 3.13Å; P303-R309 WeakPolarHBondContact O-CG 3.47Å; F305-R309 PolarHBondContact O-N 2.79Å; G306-R309 WeakPolarHBondContact O-CB 3.32Å; G306-R309 PolarHBondContact O-N 2.85Å; G306-R309 VanDerWaalsContact O-N 3.12Å; D307-R309 VanDerWaalsContact C-N 3.28Å; D307-R309 PolarHBondContact O-N 2.95Å; R309-N311 VanDerWaalsContact C-N 3.32Å; R309-N311 PolarHBondContact O-N 3.42Å; R309-Q312 PolarHBondContact O-N 3.15Å; R309-L313 HydrophobicContact CG-CD1 4.15Å; R309-L313 PolarHBondContact O-N 3.36Å
310	K	92.9	Very high	92.6	Very high	74 Å²	74	39.3 Å²	39.3	32%	0.322	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-46.7	177.8	-55.9	-168.9	-173.8	-139.5	0	111	E248 G306 D307 L313 K314	E248-K310 HydrophobicContact CG-CG 4.27Å; E248-K310 WeakPolarHBondContact OE1-CD 3.42Å; E248-K310 WeakPolarHBondContact OE1-CE 3.44Å; E248-K310 IonicContact OE1-NZ 3.92Å; E248-K310 PolarHBondContact OE1-NZ 3.04Å; G306-K310 PolarHBondContact O-N 3.27Å; D307-K310 PolarHBondContact O-N 3.21Å; K310-L313 PolarHBondContact O-N 3.01Å; K310-K314 PolarHBondContact O-N 3.46Å
311	N	93	Very high	92.4	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-42.9	177.9	-78.8	-57.1	0	0	0	112.8	D307 N308 R309 K314 D315	D307-N311 PolarHBondContact O-N 3.04Å; D307-N311 PolarHBondContact O-ND2 2.96Å; N308-N311 PolarHBondContact O-N 3.5Å; R309-N311 VanDerWaalsContact C-N 3.32Å; R309-N311 PolarHBondContact O-N 3.42Å; N311-K314 WeakPolarHBondContact O-CB 3.48Å; N311-K314 PolarHBondContact O-N 2.97Å; N311-D315 PolarHBondContact O-N 3Å; N311-D315 VanDerWaalsContact O-OD1 3.13Å
312	Q	93.5	Very high	92.2	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-36.8	177.1	-72.8	-176.3	12.4	0	0	112.8	P303 N308 R309 K314 D315 M316 R393	P303-Q312 HydrophobicContact CG-CB 4.24Å; P303-Q312 VanDerWaalsContact CG-OE1 3.23Å; N308-Q312 PolarHBondContact ND2-NE2 3.42Å; N308-Q312 VanDerWaalsContact ND2-NE2 3.1Å; N308-Q312 WeakPolarHBondContact O-CB 3.35Å; N308-Q312 VanDerWaalsContact O-CG 3.31Å; N308-Q312 WeakPolarHBondContact O-CG 3.35Å; N308-Q312 PolarHBondContact O-N 3.44Å; N308-Q312 PolarHBondContact OD1-NE2 3.28Å; R309-Q312 PolarHBondContact O-N 3.15Å; Q312-K314 VanDerWaalsContact C-N 3.32Å; Q312-D315 PolarHBondContact O-N 3.32Å; Q312-M316 PolarHBondContact O-N 2.63Å; Q312-R393 HydrophobicContact CG-CG 4.05Å
313	L	94.4	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-42.2	171.8	-79.8	166	0	0	0	111.5	L246 E248 V274 A302 R309 K310 M316 A317 V324	L246-L313 HydrophobicContact CB-CD2 4.34Å; L246-L313 HydrophobicContact CD2-CD2 4.14Å; E248-L313 HydrophobicContact CB-CD1 4.33Å; V274-L313 HydrophobicContact CG1-CD2 4.08Å; A302-L313 HydrophobicContact CB-CD1 4.12Å; A302-L313 HydrophobicContact CB-CD2 4.08Å; A302-L313 HydrophobicContact CB-CG 4.18Å; R309-L313 HydrophobicContact CG-CD1 4.15Å; R309-L313 PolarHBondContact O-N 3.36Å; K310-L313 PolarHBondContact O-N 3.01Å; L313-M316 HydrophobicContact CD2-CE 3.75Å; L313-M316 HydrophobicContact CG-CE 4.2Å; L313-M316 PolarHBondContact O-N 2.77Å; L313-A317 WeakPolarHBondContact O-CB 3.16Å; L313-A317 PolarHBondContact O-N 3.25Å; L313-V324 HydrophobicContact CB-CG1 4.19Å; L313-V324 HydrophobicContact CB-CG2 4.17Å; L313-V324 HydrophobicContact CD1-CG1 4.48Å
314	K	93.3	Very high	92.1	Very high	106 Å²	106	40.6 Å²	40.6	46%	0.461	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-40.8	174.8	-172.9	172.5	-177.4	174.4	0	112.3	K310 N311 Q312 A317 I318	K310-K314 PolarHBondContact O-N 3.46Å; N311-K314 WeakPolarHBondContact O-CB 3.48Å; N311-K314 PolarHBondContact O-N 2.97Å; Q312-K314 VanDerWaalsContact C-N 3.32Å; K314-A317 WeakPolarHBondContact O-CB 3.2Å; K314-A317 PolarHBondContact O-N 2.86Å; K314-I318 HydrophobicContact CG-CD1 4.09Å; K314-I318 WeakPolarHBondContact O-CG1 3.35Å; K314-I318 PolarHBondContact O-N 3.31Å
315	D	93.6	Very high	92.3	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-42.5	176.5	-60.1	-18	0	0	0	110.9	N311 Q312 I318 A319 R370 R393 L397	N311-D315 PolarHBondContact O-N 3Å; N311-D315 VanDerWaalsContact O-OD1 3.13Å; Q312-D315 PolarHBondContact O-N 3.32Å; D315-I318 PolarHBondContact O-N 3.06Å; D315-A319 VanDerWaalsContact O-CB 3.3Å; D315-A319 WeakPolarHBondContact O-CB 3.42Å; D315-A319 PolarHBondContact O-N 3.4Å; D315-R370 IonicContact OD1-CZ 2.87Å; D315-R370 IonicContact OD1-NE 2.83Å; D315-R370 PolarHBondContact OD1-NE 3.46Å; D315-R370 IonicContact OD1-NH2 3.16Å; D315-R370 PolarHBondContact OD1-NH2 3.46Å; D315-R393 VanDerWaalsContact CG-NH2 3.35Å; D315-R393 IonicContact OD1-NH2 2.72Å; D315-R393 PolarHBondContact OD1-NH2 2.74Å; D315-R393 IonicContact OD2-CZ 3.99Å; D315-R393 VanDerWaalsContact OD2-CZ 3.22Å; D315-R393 IonicContact OD2-NE 2.9Å; D315-R393 PolarHBondContact OD2-NE 3.21Å; D315-R393 IonicContact OD2-NH2 2.64Å; D315-R393 PolarHBondContact OD2-NH2 3.18Å; D315-L397 HydrophobicContact CB-CD1 4.11Å; D315-L397 HydrophobicContact CB-CD2 4.28Å; D315-L397 HydrophobicContact CB-CG 4.47Å
316	M	93.7	Very high	92.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-40.8	172.9	-75.9	-175.9	-67.6	0	0	112.5	M217 F219 L246 V274 P303 Q312 L313 A319 T320 L357	M217-M316 HydrophobicContact CE-CG 4.18Å; M217-M316 HydrophobicContact SD-CB 4.46Å; M217-M316 HydrophobicContact SD-CG 3.34Å; M217-M316 WeakPolarHBondContact SD-CG 2.85Å; M217-M316 HydrophobicContact SD-SD 4.39Å; F219-M316 HydrophobicContact CD1-SD 4.01Å; F219-M316 HydrophobicContact CE1-SD 3.63Å; F219-M316 HydrophobicContact CZ-SD 4.18Å; L246-M316 HydrophobicContact CD1-CB 4.18Å; L246-M316 HydrophobicContact CD2-CB 4.34Å; L246-M316 HydrophobicContact CD2-CE 4.48Å; V274-M316 HydrophobicContact CG1-CE 4.11Å; P303-M316 HydrophobicContact CG-CE 3.97Å; Q312-M316 PolarHBondContact O-N 2.63Å; L313-M316 HydrophobicContact CD2-CE 3.75Å; L313-M316 HydrophobicContact CG-CE 4.2Å; L313-M316 PolarHBondContact O-N 2.77Å; M316-A319 PolarHBondContact O-N 3.32Å; M316-T320 WeakPolarHBondContact O-CB 3.49Å; M316-T320 WeakPolarHBondContact O-CG2 3.3Å; M316-T320 PolarHBondContact O-N 2.99Å; M316-T320 PolarHBondContact O-OG1 3.48Å; M316-L357 HydrophobicContact SD-CD1 4.42Å
317	A	94.4	Very high	91.4	Very high	6 Å²	6	32.5 Å²	32.5	5%	0.05	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-49.2	178	0	0	0	0	0	110.9	L246 L313 K314 T320 G321 G322 V324	L246-A317 HydrophobicContact CD1-CB 3.55Å; L313-A317 WeakPolarHBondContact O-CB 3.16Å; L313-A317 PolarHBondContact O-N 3.25Å; K314-A317 WeakPolarHBondContact O-CB 3.2Å; K314-A317 PolarHBondContact O-N 2.86Å; A317-T320 PolarHBondContact O-N 3.32Å; A317-G321 CarbonylContact O-C 3.59Å; A317-G321 WeakPolarHBondContact O-CA 3.27Å; A317-G321 PolarHBondContact O-N 3.4Å; A317-G322 WeakPolarHBondContact CB-O 3.4Å; A317-G322 PolarHBondContact O-N 3.38Å; A317-V324 HydrophobicContact CB-CG2 3.61Å
318	I	93.6	Very high	90.4	Very high	41 Å²	41	34.2 Å²	34.2	21%	0.21	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-46.9	177.1	-66.3	165.9	0	0	0	111	K314 D315 T320 G321 G362 D366 I367 R370	K314-I318 HydrophobicContact CG-CD1 4.09Å; K314-I318 WeakPolarHBondContact O-CG1 3.35Å; K314-I318 PolarHBondContact O-N 3.31Å; D315-I318 PolarHBondContact O-N 3.06Å; I318-T320 PolarHBondContact O-N 3.41Å; I318-G321 PolarHBondContact O-N 3.5Å; I318-G362 VanDerWaalsContact O-CA 3.31Å; I318-G362 WeakPolarHBondContact O-CA 3.5Å; I318-D366 HydrophobicContact CG2-CB 3.89Å; I318-I367 HydrophobicContact CG2-CG1 4.19Å; I318-R370 HydrophobicContact CD1-CB 4.11Å; I318-R370 HydrophobicContact CD1-CG 3.82Å; I318-R370 HydrophobicContact CG2-CB 4.37Å
319	A	91.8	Very high	89.2	Confident	17 Å²	17	36.9 Å²	36.9	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-27.6	-179.1	0	0	0	0	0	113.5	M217 D315 M316 G360 G362 L397	M217-A319 HydrophobicContact CE-CB 3.85Å; D315-A319 VanDerWaalsContact O-CB 3.3Å; D315-A319 WeakPolarHBondContact O-CB 3.42Å; D315-A319 PolarHBondContact O-N 3.4Å; M316-A319 PolarHBondContact O-N 3.32Å; A319-G360 CarbonylContact O-C 3.6Å; A319-G360 WeakPolarHBondContact O-CA 3.35Å; A319-G362 WeakPolarHBondContact O-CA 3.21Å; A319-G362 PolarHBondContact O-N 3.39Å; A319-G362 VanDerWaalsContact O-N 3.08Å; A319-L397 HydrophobicContact CB-CD2 4.2Å
320	T	94.1	Very high	88.1	Confident	6 Å²	6	39.9 Å²	39.9	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-105.9	-5.7	-177.9	61.8	0	0	0	0	113.9	L244 M316 A317 I318 K344 V345	L244-T320 HydrophobicContact CD2-CG2 3.72Å; M316-T320 WeakPolarHBondContact O-CB 3.49Å; M316-T320 WeakPolarHBondContact O-CG2 3.3Å; M316-T320 PolarHBondContact O-N 2.99Å; M316-T320 PolarHBondContact O-OG1 3.48Å; A317-T320 PolarHBondContact O-N 3.32Å; I318-T320 PolarHBondContact O-N 3.41Å; T320-K344 PolarHBondContact O-N 3.15Å; T320-V345 HydrophobicContact CG2-CG2 3.73Å
321	G	92.8	Very high	87.1	Confident	45 Å²	45	39.6 Å²	39.6	46%	0.464	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	25.8	-177.1	0	0	0	0	0	114.1	A317 I318	A317-G321 CarbonylContact O-C 3.59Å; A317-G321 WeakPolarHBondContact O-CA 3.27Å; A317-G321 PolarHBondContact O-N 3.4Å; I318-G321 PolarHBondContact O-N 3.5Å
322	G	92.6	Very high	86.5	Confident	13 Å²	13	40.3 Å²	40.3	13%	0.134	26%	0.255	C	S	.	.			trans	-105.7	-179.6	179.3	0	0	0	0	0	113.7	A317 D341	A317-G322 WeakPolarHBondContact CB-O 3.4Å; A317-G322 PolarHBondContact O-N 3.38Å; G322-D341 WeakPolarHBondContact CA-O 3.45Å
323	T	92.7	Very high	86.1	Confident	39 Å²	39	41.5 Å²	41.5	24%	0.239	27%	0.267	C	S	.	.			trans	-115.6	146.6	177.9	-51.5	0	0	0	0	111	L330 L332 D341	T323-L330 HydrophobicContact CG2-CD1 4.28Å; T323-L332 HydrophobicContact CG2-CD1 3.5Å; T323-L332 VanDerWaalsContact CG2-CD1 3.5Å; T323-D341 PolarHBondContact N-O 2.92Å
324	V	93.4	Very high	85.8	Confident	12 Å²	12	42.1 Å²	42.1	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.5	174.5	-173.3	0	0	0	0	109.8	L246 E248 L313 A317	L246-V324 HydrophobicContact CB-CG2 4.32Å; L246-V324 HydrophobicContact CD1-CG2 4.35Å; E248-V324 HydrophobicContact CB-CG1 4.19Å; L313-V324 HydrophobicContact CB-CG1 4.19Å; L313-V324 HydrophobicContact CB-CG2 4.17Å; L313-V324 HydrophobicContact CD1-CG1 4.48Å; A317-V324 HydrophobicContact CB-CG2 3.61Å
325	F	91.8	Very high	85.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148	177.9	-70.3	-87.7	0	0	0	112.3	L245 L246 S247 E248 D327 L332 A333 L334 I337 D341	L245-F325 HydrophobicContact CD1-CD2 3.75Å; L245-F325 HydrophobicContact CD1-CE2 3.84Å; L246-F325 WeakPolarHBondContact O-CD2 3.43Å; L246-F325 PolarHBondContact O-N 3.48Å; S247-F325 WeakPolarHBondContact CA-O 3.4Å; E248-F325 PolarHBondContact N-O 3.22Å; F325-D327 PolarHBondContact O-N 2.96Å; F325-L332 HydrophobicContact CD1-CB 4.11Å; F325-L332 HydrophobicContact CE1-CB 4.38Å; F325-A333 WeakPolarHBondContact CD1-O 3.3Å; F325-L334 HydrophobicContact CB-CD1 4Å; F325-L334 HydrophobicContact CD1-CD1 4.16Å; F325-L334 HydrophobicContact CD2-CD1 4Å; F325-L334 HydrophobicContact CG-CD1 3.77Å; F325-I337 HydrophobicContact CE1-CB 4.12Å; F325-I337 HydrophobicContact CE1-CG1 4.36Å; F325-I337 HydrophobicContact CE2-CD1 3.59Å; F325-I337 HydrophobicContact CE2-CG1 4.08Å; F325-I337 HydrophobicContact CZ-CB 3.83Å; F325-I337 HydrophobicContact CZ-CD1 3.62Å; F325-I337 HydrophobicContact CZ-CG1 3.57Å; F325-D341 HydrophobicContact CE2-CB 4Å; F325-D341 HydrophobicContact CZ-CB 3.55Å
326	G	82.1	Confident	85.3	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	6.4	-179.9	0	0	0	0	0	114.9	K249 E328 L332	K249-G326 WeakPolarHBondContact CE-O 3.34Å; G326-E328 PolarHBondContact O-N 2.71Å; G326-L332 PolarHBondContact N-O 3.45Å
327	D	75.1	Confident	85.3	Confident	46 Å²	46	47.2 Å²	47.2	25%	0.246	30%	0.299	C	S	.	.			trans	-65.2	122.8	167.6	-176.4	-11	0	0	0	109.3	F325 A329 L330 G331	F325-D327 PolarHBondContact O-N 2.96Å; D327-A329 PolarHBondContact O-N 3.46Å; D327-A329 WeakPolarHBondContact OD1-CB 3.43Å; D327-A329 PolarHBondContact OD1-N 2.86Å; D327-L330 HydrophobicContact CB-CB 4.35Å; D327-L330 HydrophobicContact CB-CD1 4.22Å; D327-L330 HydrophobicContact CB-CG 4.49Å; D327-L330 PolarHBondContact O-N 3.45Å; D327-G331 PolarHBondContact O-N 3.27Å; D327-G331 VanDerWaalsContact O-N 3.13Å
328	E	66.4	Low	85.2	Confident	155 Å²	155	51.9 Å²	51.9	72%	0.724	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.6	-178.9	-65.5	178.5	168.7	0	0	112.5	G326	G326-E328 PolarHBondContact O-N 2.71Å
329	A	64.5	Low	85.1	Confident	89 Å²	89	51.5 Å²	51.5	74%	0.736	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-28.4	179	0	0	0	0	0	113.8	D327	D327-A329 PolarHBondContact O-N 3.46Å; D327-A329 WeakPolarHBondContact OD1-CB 3.43Å; D327-A329 PolarHBondContact OD1-N 2.86Å
330	L	69.7	Low	85.1	Confident	99 Å²	99	57.4 Å²	57.4	52%	0.518	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-25.3	-175.8	-70.3	168.8	0	0	0	112.9	T323 D327 L332	T323-L330 HydrophobicContact CG2-CD1 4.28Å; D327-L330 HydrophobicContact CB-CB 4.35Å; D327-L330 HydrophobicContact CB-CD1 4.22Å; D327-L330 HydrophobicContact CB-CG 4.49Å; D327-L330 PolarHBondContact O-N 3.45Å; L330-L332 HydrophobicContact CB-CD1 4.23Å; L330-L332 HydrophobicContact CB-CG 4.29Å; L330-L332 PolarHBondContact O-N 3.33Å
331	G	72.3	Confident	85	Confident	68 Å²	68	58 Å²	58	70%	0.701	35%	0.35	S	S	*	.			trans	65.9	16.2	177.1	0	0	0	0	0	114.8	D327 A333	D327-G331 PolarHBondContact O-N 3.27Å; D327-G331 VanDerWaalsContact O-N 3.13Å; G331-A333 PolarHBondContact O-N 3Å
332	L	80	Confident	85.2	Confident	69 Å²	69	55.9 Å²	55.9	36%	0.361	33%	0.329	S	S	.	.			trans	-80.1	117.9	-179	-68.2	168.9	0	0	0	111	T323 F325 G326 L330	T323-L332 HydrophobicContact CG2-CD1 3.5Å; T323-L332 VanDerWaalsContact CG2-CD1 3.5Å; F325-L332 HydrophobicContact CD1-CB 4.11Å; F325-L332 HydrophobicContact CE1-CB 4.38Å; G326-L332 PolarHBondContact N-O 3.45Å; L330-L332 HydrophobicContact CB-CD1 4.23Å; L330-L332 HydrophobicContact CB-CG 4.29Å; L330-L332 PolarHBondContact O-N 3.33Å
333	A	85.8	Confident	85.3	Confident	37 Å²	37	55.3 Å²	55.3	31%	0.306	32%	0.322	S	S	.	.			trans	-77.3	145.2	171.8	0	0	0	0	0	110.2	F325 G331 E335 D336	F325-A333 WeakPolarHBondContact CD1-O 3.3Å; G331-A333 PolarHBondContact O-N 3Å; A333-E335 WeakPolarHBondContact CB-OE2 3.31Å; A333-E335 PolarHBondContact O-N 2.89Å; A333-D336 PolarHBondContact O-N 2.79Å
334	L	88.1	Confident	85.5	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-70.9	-27.2	-178.2	-174.3	64.6	0	0	0	111.4	L245 I251 S256 F325 D336 I337	L245-L334 HydrophobicContact CD1-CD1 3.51Å; L245-L334 HydrophobicContact CD2-CD1 4.01Å; L245-L334 HydrophobicContact CG-CD1 4.23Å; I251-L334 HydrophobicContact CD1-CD2 3.86Å; I251-L334 HydrophobicContact CG1-CD2 4.16Å; S256-L334 WeakPolarHBondContact O-CD2 3.36Å; S256-L334 VanDerWaalsContact O-CG 3.32Å; S256-L334 WeakPolarHBondContact O-CG 3.46Å; F325-L334 HydrophobicContact CB-CD1 4Å; F325-L334 HydrophobicContact CD1-CD1 4.16Å; F325-L334 HydrophobicContact CD2-CD1 4Å; F325-L334 HydrophobicContact CG-CD1 3.77Å; L334-D336 PolarHBondContact O-N 3.26Å; L334-I337 WeakPolarHBondContact O-CB 3.17Å; L334-I337 VanDerWaalsContact O-CG2 3.3Å; L334-I337 WeakPolarHBondContact O-CG2 3.29Å; L334-I337 PolarHBondContact O-N 3.13Å
335	E	88.9	Confident	85.5	Confident	97 Å²	97	57.9 Å²	57.9	45%	0.453	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-64.1	-26.2	179.9	-63.4	73.1	-163.4	0	0	112.7	S256 A333	S256-E335 WeakPolarHBondContact CB-OE1 3.47Å; A333-E335 WeakPolarHBondContact CB-OE2 3.31Å; A333-E335 PolarHBondContact O-N 2.89Å
336	D	88.5	Confident	85.6	Confident	117 Å²	117	59.2 Å²	59.2	63%	0.626	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-96.4	9.1	-175.1	-63.4	-42.1	0	0	0	113.4	A333 L334 Q338	A333-D336 PolarHBondContact O-N 2.79Å; L334-D336 PolarHBondContact O-N 3.26Å; D336-Q338 PolarHBondContact O-N 3.48Å; D336-Q338 PolarHBondContact O-NE2 3.11Å
337	I	92.7	Very high	86.1	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	35%	0.345	C	S	.	.			trans	-52.7	135.8	-175.6	-175.6	158.8	0	0	0	113.4	L245 P259 A260 I263 F325 L334 D341 F342	L245-I337 HydrophobicContact CD1-CD1 3.37Å; P259-I337 HydrophobicContact CB-CG2 3.94Å; A260-I337 HydrophobicContact CB-CD1 4.28Å; A260-I337 HydrophobicContact CB-CG2 4.17Å; I263-I337 HydrophobicContact CD1-CG2 4.18Å; I263-I337 VanDerWaalsContact CD1-O 3.26Å; I263-I337 WeakPolarHBondContact CD1-O 3.29Å; F325-I337 HydrophobicContact CE1-CB 4.12Å; F325-I337 HydrophobicContact CE1-CG1 4.36Å; F325-I337 HydrophobicContact CE2-CD1 3.59Å; F325-I337 HydrophobicContact CE2-CG1 4.08Å; F325-I337 HydrophobicContact CZ-CB 3.83Å; F325-I337 HydrophobicContact CZ-CD1 3.62Å; F325-I337 HydrophobicContact CZ-CG1 3.57Å; L334-I337 WeakPolarHBondContact O-CB 3.17Å; L334-I337 VanDerWaalsContact O-CG2 3.3Å; L334-I337 WeakPolarHBondContact O-CG2 3.29Å; L334-I337 PolarHBondContact O-N 3.13Å; I337-D341 HydrophobicContact CG1-CB 4.26Å; I337-F342 HydrophobicContact CD1-CD1 4.05Å; I337-F342 HydrophobicContact CD1-CD2 4.2Å; I337-F342 HydrophobicContact CD1-CE1 3.5Å; I337-F342 HydrophobicContact CD1-CE2 3.67Å; I337-F342 HydrophobicContact CD1-CG 4.39Å; I337-F342 HydrophobicContact CD1-CZ 3.31Å; I337-F342 HydrophobicContact CG1-CD2 4.35Å; I337-F342 HydrophobicContact CG1-CE1 4.49Å; I337-F342 HydrophobicContact CG1-CE2 3.77Å; I337-F342 HydrophobicContact CG1-CZ 3.88Å
338	Q	92.9	Very high	87	Confident	103 Å²	103	58.3 Å²	58.3	48%	0.481	33%	0.334	S	S	.	.			trans	-113.1	162.3	173.6	-56.9	-59.1	-52.3	0	0	111.4	D336 H340 D341 F342	D336-Q338 PolarHBondContact O-N 3.48Å; D336-Q338 PolarHBondContact O-NE2 3.11Å; Q338-H340 VanDerWaalsContact CB-CE1 3.45Å; Q338-H340 WeakPolarHBondContact CB-CE1 3.49Å; Q338-H340 PolarHBondContact O-N 3.29Å; Q338-H340 VanDerWaalsContact O-N 3.08Å; Q338-D341 WeakPolarHBondContact CA-OD2 3.23Å; Q338-D341 WeakPolarHBondContact CB-OD2 3.24Å; Q338-D341 PolarHBondContact N-OD2 3.14Å; Q338-D341 PolarHBondContact O-N 3.11Å; Q338-F342 WeakPolarHBondContact O-CD2 3.35Å
339	A	90.6	Very high	88.2	Confident	34 Å²	34	51.9 Å²	51.9	28%	0.281	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.1	-179.3	0	0	0	0	0	114.1	I263	I263-A339 HydrophobicContact CG2-CB 4.02Å
340	H	91.4	Very high	89.7	Confident	140 Å²	140	47.6 Å²	47.6	65%	0.648	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.7	178.8	63.9	-96.6	0	0	0	113.8	Q338 F342	Q338-H340 VanDerWaalsContact CB-CE1 3.45Å; Q338-H340 WeakPolarHBondContact CB-CE1 3.49Å; Q338-H340 PolarHBondContact O-N 3.29Å; Q338-H340 VanDerWaalsContact O-N 3.08Å; H340-F342 VanDerWaalsContact C-N 3.34Å
341	D	93.5	Very high	90.7	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.8	178.7	-60.5	-49.8	0	0	0	112.6	G322 T323 F325 I337 Q338	G322-D341 WeakPolarHBondContact CA-O 3.45Å; T323-D341 PolarHBondContact N-O 2.92Å; F325-D341 HydrophobicContact CE2-CB 4Å; F325-D341 HydrophobicContact CZ-CB 3.55Å; I337-D341 HydrophobicContact CG1-CB 4.26Å; Q338-D341 WeakPolarHBondContact CA-OD2 3.23Å; Q338-D341 WeakPolarHBondContact CB-OD2 3.24Å; Q338-D341 PolarHBondContact N-OD2 3.14Å; Q338-D341 PolarHBondContact O-N 3.11Å
342	F	95.4	Very high	91.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	24%	0.244	C	C	.	.	S	Bend	trans	-68.8	133.9	174.7	-68.8	-81	0	0	0	110.9	Y243 L245 A260 I263 L271 I337 Q338 H340	Y243-F342 HydrophobicContact CD1-CB 3.72Å; Y243-F342 HydrophobicContact CD1-CG 4.28Å; Y243-F342 HydrophobicContact CD2-CD2 4.5Å; Y243-F342 HydrophobicContact CD2-CG 4.42Å; Y243-F342 HydrophobicContact CE1-CB 4.38Å; Y243-F342 HydrophobicContact CG-CB 3.93Å; Y243-F342 HydrophobicContact CG-CD1 4.35Å; Y243-F342 HydrophobicContact CG-CD2 4.49Å; Y243-F342 HydrophobicContact CG-CG 4.02Å; L245-F342 HydrophobicContact CB-CD1 4.27Å; L245-F342 HydrophobicContact CB-CE1 4.12Å; L245-F342 HydrophobicContact CD1-CE1 4.29Å; A260-F342 HydrophobicContact CB-CE1 4.16Å; A260-F342 HydrophobicContact CB-CZ 3.88Å; I263-F342 HydrophobicContact CB-CE2 4.15Å; I263-F342 HydrophobicContact CD1-CE2 4.21Å; I263-F342 HydrophobicContact CG2-CD2 4.5Å; I263-F342 HydrophobicContact CG2-CE2 3.78Å; L271-F342 HydrophobicContact CD1-CD1 3.99Å; L271-F342 HydrophobicContact CD1-CE1 3.62Å; I337-F342 HydrophobicContact CD1-CD1 4.05Å; I337-F342 HydrophobicContact CD1-CD2 4.2Å; I337-F342 HydrophobicContact CD1-CE1 3.5Å; I337-F342 HydrophobicContact CD1-CE2 3.67Å; I337-F342 HydrophobicContact CD1-CG 4.39Å; I337-F342 HydrophobicContact CD1-CZ 3.31Å; I337-F342 HydrophobicContact CG1-CD2 4.35Å; I337-F342 HydrophobicContact CG1-CE1 4.49Å; I337-F342 HydrophobicContact CG1-CE2 3.77Å; I337-F342 HydrophobicContact CG1-CZ 3.88Å; Q338-F342 WeakPolarHBondContact O-CD2 3.35Å; H340-F342 VanDerWaalsContact C-N 3.34Å
343	G	96.1	Very high	91.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	150.2	161.1	0	0	0	0	0	110.1	Y243 L244	Y243-G343 CarbonylContact C-O 3.53Å; Y243-G343 WeakPolarHBondContact CA-O 3.29Å; L244-G343 PolarHBondContact N-O 3.45Å; L244-G343 PolarHBondContact O-N 3.33Å
344	K	95.5	Very high	92	Very high	104 Å²	104	48.5 Å²	48.5	45%	0.452	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.8	176.1	-66.4	175.8	-174.8	169	0	109.4	Y243 T320 G361	Y243-K344 HydrophobicContact CD1-CG 4.29Å; Y243-K344 HydrophobicContact CE1-CG 4.26Å; T320-K344 PolarHBondContact O-N 3.15Å; K344-G361 PolarHBondContact O-N 3.38Å
345	V	94.9	Very high	92.3	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.5	179	-168.4	0	0	0	0	109.1	D241 A242 L244 T320 E347 V348 L357 L358	D241-V345 CarbonylContact C-O 3.55Å; D241-V345 WeakPolarHBondContact CA-O 3.25Å; A242-V345 PolarHBondContact N-O 2.83Å; A242-V345 PolarHBondContact O-N 3.3Å; L244-V345 HydrophobicContact CB-CG2 4.08Å; L244-V345 HydrophobicContact CD2-CG2 4.18Å; T320-V345 HydrophobicContact CG2-CG2 3.73Å; V345-E347 VanDerWaalsContact C-N 3.32Å; V345-E347 VanDerWaalsContact CG1-O 3.27Å; V345-E347 WeakPolarHBondContact CG1-O 3.48Å; V345-E347 PolarHBondContact O-N 2.71Å; V345-V348 HydrophobicContact CB-CG2 3.83Å; V345-V348 HydrophobicContact CG1-CG2 3.55Å; V345-V348 HydrophobicContact CG2-CG2 4.45Å; V345-L357 HydrophobicContact CG1-CB 3.98Å; V345-L357 HydrophobicContact CG1-CD2 4.41Å; V345-L357 HydrophobicContact CG2-CD2 4.46Å; V345-L358 WeakPolarHBondContact CG1-O 3.46Å
346	G	93	Very high	92.4	Very high	30 Å²	30	43.8 Å²	43.8	31%	0.309	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-35.5	179.9	0	0	0	0	0	112.8	Q240 D241 L358 K359	Q240-G346 WeakPolarHBondContact CA-O 3.48Å; D241-G346 PolarHBondContact N-O 3.19Å; G346-L358 PolarHBondContact N-O 2.95Å; G346-L358 VanDerWaalsContact N-O 3.15Å; G346-K359 PolarHBondContact N-O 2.94Å
347	E	92.1	Very high	92.6	Very high	42 Å²	42	38.5 Å²	38.5	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	140.6	175.6	-167.4	-178.2	147.9	0	0	112.6	K202 F239 V345 L358	K202-E347 WeakPolarHBondContact CE-OE1 3.38Å; K202-E347 IonicContact NZ-OE1 2.89Å; K202-E347 PolarHBondContact NZ-OE1 3.45Å; K202-E347 IonicContact NZ-OE2 3.28Å; K202-E347 PolarHBondContact NZ-OE2 2.69Å; F239-E347 CarbonylContact O-C 3.53Å; F239-E347 WeakPolarHBondContact O-CA 3.08Å; V345-E347 VanDerWaalsContact C-N 3.32Å; V345-E347 VanDerWaalsContact CG1-O 3.27Å; V345-E347 WeakPolarHBondContact CG1-O 3.48Å; V345-E347 PolarHBondContact O-N 2.71Å; E347-L358 HydrophobicContact CB-CB 4.25Å; E347-L358 PolarHBondContact N-O 3.32Å; E347-L358 PolarHBondContact O-N 3.46Å
348	V	93.9	Very high	92.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	179.6	177.7	0	0	0	0	110	E238 F239 A242 V272 V345 I350 L356 L357	E238-V348 CarbonylContact C-O 3.6Å; E238-V348 VanDerWaalsContact CA-O 3.3Å; E238-V348 WeakPolarHBondContact CA-O 3.32Å; F239-V348 HydrophobicContact CB-CB 4.49Å; F239-V348 PolarHBondContact N-O 3.48Å; F239-V348 PolarHBondContact O-N 3.37Å; A242-V348 HydrophobicContact CB-CG2 4.36Å; V272-V348 HydrophobicContact CG2-CB 4.27Å; V272-V348 HydrophobicContact CG2-CG1 3.99Å; V272-V348 HydrophobicContact CG2-CG2 4.1Å; V345-V348 HydrophobicContact CB-CG2 3.83Å; V345-V348 HydrophobicContact CG1-CG2 3.55Å; V345-V348 HydrophobicContact CG2-CG2 4.45Å; V348-I350 HydrophobicContact CG1-CD1 3.62Å; V348-I350 HydrophobicContact CG1-CG1 3.71Å; V348-L356 WeakPolarHBondContact CA-O 3.45Å; V348-L357 HydrophobicContact CB-CD2 4.3Å; V348-L357 HydrophobicContact CG1-CD2 3.84Å; V348-L357 HydrophobicContact CG2-CD2 3.61Å
349	Q	93.1	Very high	92.3	Very high	19 Å²	19	38.5 Å²	38.5	9%	0.089	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.7	172.8	-175.4	177	42.4	0	0	109.6	K236 C237 E238 L356	K236-Q349 HydrophobicContact CD-CG 4.13Å; K236-Q349 VanDerWaalsContact CD-NE2 3.34Å; K236-Q349 VanDerWaalsContact NZ-NE2 3.2Å; C237-Q349 CarbonylContact O-C 3.11Å; C237-Q349 WeakPolarHBondContact O-CA 3.4Å; E238-Q349 HydrophobicContact CG-CB 4.36Å; E238-Q349 HydrophobicContact CG-CG 3.98Å; E238-Q349 PolarHBondContact OE1-NE2 3.14Å; Q349-L356 HydrophobicContact CB-CB 4.42Å; Q349-L356 PolarHBondContact N-O 3.45Å; Q349-L356 PolarHBondContact O-N 2.89Å
350	I	95	Very high	92.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.4	-176.4	-60.2	157.4	0	0	0	109	Y223 K236 C237 V272 V298 V300 V348 D354 T355	Y223-I350 HydrophobicContact CD1-CG2 4.07Å; Y223-I350 HydrophobicContact CG-CG2 4.49Å; K236-I350 CarbonylContact C-O 3.34Å; K236-I350 VanDerWaalsContact CA-O 3.25Å; K236-I350 WeakPolarHBondContact CA-O 3.07Å; C237-I350 HydrophobicContact CB-CB 4.31Å; C237-I350 PolarHBondContact N-O 2.89Å; C237-I350 PolarHBondContact O-N 3.32Å; V272-I350 HydrophobicContact CG1-CD1 4.2Å; V298-I350 HydrophobicContact CB-CD1 4.1Å; V298-I350 HydrophobicContact CG1-CD1 3.28Å; V298-I350 HydrophobicContact CG2-CD1 3.68Å; V298-I350 HydrophobicContact CG2-CG2 4.48Å; V300-I350 HydrophobicContact CG2-CD1 3.88Å; V300-I350 HydrophobicContact CG2-CG1 4.3Å; V300-I350 HydrophobicContact CG2-CG2 3.89Å; V348-I350 HydrophobicContact CG1-CD1 3.62Å; V348-I350 HydrophobicContact CG1-CG1 3.71Å; I350-D354 CarbonylContact C-O 3.41Å; I350-D354 WeakPolarHBondContact CA-O 3.36Å; I350-T355 HydrophobicContact CD1-CG2 4.45Å; I350-T355 HydrophobicContact CG1-CG2 3.73Å
351	T	91.4	Very high	92.2	Very high	30 Å²	30	33.8 Å²	33.8	18%	0.184	19%	0.189	C	C	.	.			trans	-105.9	-170.5	173.6	76.6	0	0	0	0	109.8	G222 Y223 K236 D353 D354	G222-T351 CarbonylContact C-O 3.56Å; G222-T351 WeakPolarHBondContact CA-O 3.36Å; Y223-T351 WeakPolarHBondContact CD1-O 2.94Å; Y223-T351 WeakPolarHBondContact CE1-O 3.22Å; Y223-T351 PolarHBondContact N-O 2.91Å; K236-T351 HydrophobicContact CD-CG2 4.09Å; K236-T351 HydrophobicContact CG-CG2 4.01Å; T351-D353 VanDerWaalsContact C-N 3.25Å; T351-D353 PolarHBondContact O-N 2.75Å; T351-D353 PolarHBondContact OG1-N 2.79Å; T351-D354 PolarHBondContact N-O 2.98Å; T351-D354 PolarHBondContact OG1-N 3.42Å; T351-D354 PolarHBondContact OG1-O 3.12Å
352	K	88.8	Confident	92.1	Very high	119 Å²	119	33.5 Å²	33.5	52%	0.517	19%	0.19	S	C	.	.	S	Bend	trans	-62.8	-34.1	171.8	-177.7	-173	169.5	-162.6	0	112.4	G222 Y223	G222-K352 VanDerWaalsContact CA-O 3.3Å; G222-K352 WeakPolarHBondContact CA-O 3.31Å; Y223-K352 HydrophobicContact CE2-CB 4.36Å
353	D	86.3	Confident	91.9	Very high	99 Å²	99	36 Å²	36	53%	0.529	21%	0.208	S	C	.	.	S	Bend	trans	-114.4	-24.6	-168.4	-54.1	-59.4	0	0	0	112.6	D220 R221 G222 T351	D220-D353 CarbonylContact C-O 3.43Å; D220-D353 WeakPolarHBondContact CA-O 3.11Å; R221-D353 CarbonylContact C-O 3.59Å; R221-D353 WeakPolarHBondContact CA-O 3.45Å; R221-D353 PolarHBondContact N-O 2.86Å; G222-D353 PolarHBondContact N-O 3.44Å; T351-D353 VanDerWaalsContact C-N 3.25Å; T351-D353 PolarHBondContact O-N 2.75Å; T351-D353 PolarHBondContact OG1-N 2.79Å
354	D	90.6	Very high	91.5	Very high	44 Å²	44	40.1 Å²	40.1	24%	0.235	24%	0.235	C	C	.	.			trans	-129.8	151.6	-170.7	-66.4	-46.4	0	0	0	113.3	K218 R221 I350 T351	K218-D354 WeakPolarHBondContact CE-OD1 3.3Å; K218-D354 WeakPolarHBondContact CE-OD2 3.41Å; K218-D354 IonicContact NZ-OD1 3.02Å; K218-D354 PolarHBondContact NZ-OD1 2.86Å; K218-D354 VanDerWaalsContact NZ-OD1 3.14Å; K218-D354 IonicContact NZ-OD2 2.63Å; K218-D354 PolarHBondContact NZ-OD2 3.31Å; R221-D354 CarbonylContact O-C 3.52Å; R221-D354 VanDerWaalsContact O-C 3.29Å; I350-D354 CarbonylContact C-O 3.41Å; I350-D354 WeakPolarHBondContact CA-O 3.36Å; T351-D354 PolarHBondContact N-O 2.98Å; T351-D354 PolarHBondContact OG1-N 3.42Å; T351-D354 PolarHBondContact OG1-O 3.12Å
355	T	93.6	Very high	91.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.2	165.8	-67	0	0	0	0	110.1	K218 F219 R221 V300 I350 L357	K218-T355 CarbonylContact C-O 3.58Å; K218-T355 VanDerWaalsContact CA-O 3.31Å; K218-T355 WeakPolarHBondContact CA-O 3.48Å; F219-T355 HydrophobicContact CD1-CG2 4.44Å; F219-T355 HydrophobicContact CE1-CG2 3.58Å; F219-T355 HydrophobicContact CE2-CG2 4.2Å; F219-T355 VanDerWaalsContact CZ-CB 3.47Å; F219-T355 HydrophobicContact CZ-CG2 3.44Å; F219-T355 VanDerWaalsContact CZ-CG2 3.44Å; F219-T355 PolarHBondContact N-O 3Å; F219-T355 PolarHBondContact O-N 3.23Å; R221-T355 WeakPolarHBondContact O-CB 3.35Å; R221-T355 PolarHBondContact O-N 3.46Å; R221-T355 PolarHBondContact O-OG1 3.47Å; V300-T355 WeakPolarHBondContact CG1-OG1 3.43Å; I350-T355 HydrophobicContact CD1-CG2 4.45Å; I350-T355 HydrophobicContact CG1-CG2 3.73Å; T355-L357 HydrophobicContact CG2-CD2 3.98Å; T355-L357 HydrophobicContact CG2-CG 4.31Å
356	L	91.9	Very high	91.2	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.8	176.6	179	62.6	0	0	0	109.7	V198 T200 K218 V348 Q349 L358 V401	V198-L356 HydrophobicContact CG1-CD1 4Å; T200-L356 HydrophobicContact CG2-CD2 4Å; K218-L356 HydrophobicContact CB-CD1 3.98Å; K218-L356 HydrophobicContact CG-CD1 4.45Å; V348-L356 WeakPolarHBondContact CA-O 3.45Å; Q349-L356 HydrophobicContact CB-CB 4.42Å; Q349-L356 PolarHBondContact N-O 3.45Å; Q349-L356 PolarHBondContact O-N 2.89Å; L356-L358 HydrophobicContact CD1-CD2 3.85Å; L356-L358 HydrophobicContact CD1-CG 4.42Å; L356-L358 HydrophobicContact CD2-CD1 4.18Å; L356-L358 HydrophobicContact CD2-CD2 4.11Å; L356-L358 HydrophobicContact CD2-CG 4.24Å; L356-L358 HydrophobicContact CG-CD1 4.42Å; L356-L358 HydrophobicContact CG-CD2 3.9Å; L356-L358 HydrophobicContact CG-CG 3.97Å; L356-V401 HydrophobicContact CD1-CG1 4.32Å; L356-V401 HydrophobicContact CD1-CG2 4.26Å
357	L	92.7	Very high	91.1	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.1	174.7	-53.8	179.2	0	0	0	108.5	G216 M217 F219 L244 M316 V345 V348 T355	G216-L357 CarbonylContact C-O 3.46Å; G216-L357 WeakPolarHBondContact CA-O 3.49Å; M217-L357 PolarHBondContact N-O 3.28Å; M217-L357 PolarHBondContact O-N 3.13Å; F219-L357 HydrophobicContact CE1-CD1 4.17Å; F219-L357 HydrophobicContact CE1-CG 4.36Å; L244-L357 HydrophobicContact CD2-CD1 3.83Å; M316-L357 HydrophobicContact SD-CD1 4.42Å; V345-L357 HydrophobicContact CG1-CB 3.98Å; V345-L357 HydrophobicContact CG1-CD2 4.41Å; V345-L357 HydrophobicContact CG2-CD2 4.46Å; V348-L357 HydrophobicContact CB-CD2 4.3Å; V348-L357 HydrophobicContact CG1-CD2 3.84Å; V348-L357 HydrophobicContact CG2-CD2 3.61Å; T355-L357 HydrophobicContact CG2-CD2 3.98Å; T355-L357 HydrophobicContact CG2-CG 4.31Å
358	L	89.9	Confident	90.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.7	-177.7	-58.8	173.3	0	0	0	110.6	V345 G346 E347 L356 V401	V345-L358 WeakPolarHBondContact CG1-O 3.46Å; G346-L358 PolarHBondContact N-O 2.95Å; G346-L358 VanDerWaalsContact N-O 3.15Å; E347-L358 HydrophobicContact CB-CB 4.25Å; E347-L358 PolarHBondContact N-O 3.32Å; E347-L358 PolarHBondContact O-N 3.46Å; L356-L358 HydrophobicContact CD1-CD2 3.85Å; L356-L358 HydrophobicContact CD1-CG 4.42Å; L356-L358 HydrophobicContact CD2-CD1 4.18Å; L356-L358 HydrophobicContact CD2-CD2 4.11Å; L356-L358 HydrophobicContact CD2-CG 4.24Å; L356-L358 HydrophobicContact CG-CD1 4.42Å; L356-L358 HydrophobicContact CG-CD2 3.9Å; L356-L358 HydrophobicContact CG-CG 3.97Å; L358-V401 HydrophobicContact CD2-CB 3.83Å; L358-V401 HydrophobicContact CD2-CG1 3.74Å; L358-V401 HydrophobicContact CD2-CG2 3.97Å
359	K	88.3	Confident	90.9	Very high	105 Å²	105	53.1 Å²	53.1	46%	0.457	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.9	59.4	179.5	-55.2	-175.7	178.7	-168.9	0	111	E212 I214 E215 G346	E212-K359 IonicContact OE1-NZ 3.52Å; I214-K359 HydrophobicContact CG2-CD 4.19Å; I214-K359 HydrophobicContact CG2-CG 3.35Å; E215-K359 PolarHBondContact O-N 2.86Å; G346-K359 PolarHBondContact N-O 2.94Å
360	G	90.7	Very high	90.9	Very high	25 Å²	25	52.8 Å²	52.8	26%	0.258	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	144.1	174.2	0	0	0	0	0	111.4	A319 G362	A319-G360 CarbonylContact O-C 3.6Å; A319-G360 WeakPolarHBondContact O-CA 3.35Å; G360-G362 PolarHBondContact O-N 2.98Å
361	G	90	Very high	90.6	Very high	50 Å²	50	53.4 Å²	53.4	52%	0.515	30%	0.304	S	S	.	.			trans	-82.4	12.9	179.4	0	0	0	0	0	115.2	K344	K344-G361 PolarHBondContact O-N 3.38Å
362	G	90.3	Very high	90.6	Very high	12 Å²	12	54.7 Å²	54.7	12%	0.124	32%	0.318	C	S	.	.			trans	-68.8	156.9	179.7	0	0	0	0	0	113.3	I318 A319 G360	I318-G362 VanDerWaalsContact O-CA 3.31Å; I318-G362 WeakPolarHBondContact O-CA 3.5Å; A319-G362 WeakPolarHBondContact O-CA 3.21Å; A319-G362 PolarHBondContact O-N 3.39Å; A319-G362 VanDerWaalsContact O-N 3.08Å; G360-G362 PolarHBondContact O-N 2.98Å
363	S	91.3	Very high	90.8	Very high	54 Å²	54	52.4 Å²	52.4	38%	0.378	31%	0.309	S	S	.	.			trans	-75.1	128.2	174.1	175.2	0	0	0	0	110.2	A365 D366 I367	S363-A365 PolarHBondContact O-N 3.2Å; S363-A365 VanDerWaalsContact O-N 3.15Å; S363-D366 WeakPolarHBondContact CB-OD2 3.34Å; S363-D366 PolarHBondContact O-N 2.69Å; S363-I367 WeakPolarHBondContact O-CG1 3.27Å; S363-I367 PolarHBondContact O-N 3.23Å; S363-I367 VanDerWaalsContact O-N 3.1Å
364	P	88.1	Confident	91	Very high	87 Å²	87	47.7 Å²	47.7	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-54.4	-35.1	176.7	-28.2	35.5	0	0	0	113.3	I367 E368	P364-I367 PolarHBondContact O-N 3.19Å; P364-E368 WeakPolarHBondContact O-CB 3.39Å; P364-E368 PolarHBondContact O-N 3.3Å
365	A	91.8	Very high	90.9	Very high	62 Å²	62	47.2 Å²	47.2	51%	0.512	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-36.9	178.2	0	0	0	0	0	112.9	S363 K369	S363-A365 PolarHBondContact O-N 3.2Å; S363-A365 VanDerWaalsContact O-N 3.15Å; A365-K369 VanDerWaalsContact O-CB 3.28Å; A365-K369 WeakPolarHBondContact O-CB 3.21Å; A365-K369 PolarHBondContact O-N 3.47Å
366	D	91.8	Very high	90.8	Very high	89 Å²	89	53.1 Å²	53.1	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-74.2	-35.5	178.2	-66.5	-36.5	0	0	0	111.1	I318 S363 R370	I318-D366 HydrophobicContact CG2-CB 3.89Å; S363-D366 WeakPolarHBondContact CB-OD2 3.34Å; S363-D366 PolarHBondContact O-N 2.69Å; D366-R370 VanDerWaalsContact O-CB 3.3Å; D366-R370 WeakPolarHBondContact O-CB 3.32Å; D366-R370 PolarHBondContact O-N 2.86Å
367	I	90.6	Very high	90.7	Very high	22 Å²	22	56.6 Å²	56.6	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-47.9	174.4	-62.4	168.6	0	0	0	110.2	I318 S363 P364 K369 R370 A371 L397	I318-I367 HydrophobicContact CG2-CG1 4.19Å; S363-I367 WeakPolarHBondContact O-CG1 3.27Å; S363-I367 PolarHBondContact O-N 3.23Å; S363-I367 VanDerWaalsContact O-N 3.1Å; P364-I367 PolarHBondContact O-N 3.19Å; I367-K369 PolarHBondContact O-N 2.99Å; I367-R370 PolarHBondContact O-N 3.21Å; I367-A371 WeakPolarHBondContact O-CB 3.5Å; I367-A371 PolarHBondContact O-N 2.92Å; I367-L397 HydrophobicContact CG2-CD2 4.47Å
368	E	89	Confident	90.4	Very high	147 Å²	147	58.1 Å²	58.1	69%	0.687	34%	0.337	S	S	*	.	H	α-helix	trans	-62.6	-43.6	178.5	-172.8	176.9	-171.1	0	0	111.4	P364 R370 A371 A372	P364-E368 WeakPolarHBondContact O-CB 3.39Å; P364-E368 PolarHBondContact O-N 3.3Å; E368-R370 VanDerWaalsContact C-N 3.31Å; E368-R370 PolarHBondContact O-N 3.38Å; E368-A371 PolarHBondContact O-N 3.13Å; E368-A372 WeakPolarHBondContact O-CB 3.07Å; E368-A372 PolarHBondContact O-N 3.48Å
369	K	93.7	Very high	90.3	Very high	132 Å²	132	66 Å²	66	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-58.6	-44.4	173.5	-177.9	-177.8	174.8	-174.5	0	111.4	A365 I367 A372 E373	A365-K369 VanDerWaalsContact O-CB 3.28Å; A365-K369 WeakPolarHBondContact O-CB 3.21Å; A365-K369 PolarHBondContact O-N 3.47Å; I367-K369 PolarHBondContact O-N 2.99Å; K369-A372 PolarHBondContact O-N 3.44Å; K369-E373 WeakPolarHBondContact O-CG 3.38Å; K369-E373 PolarHBondContact O-N 2.96Å
370	R	93.1	Very high	90.3	Very high	12 Å²	12	66.7 Å²	66.7	5%	0.045	38%	0.383	C	S	.	.	H	α-helix	trans	-66.5	-39.6	179	-175.3	56.3	173.2	172	1.6	112.3	D315 I318 D366 I367 E368 E373 I374 L397	D315-R370 IonicContact OD1-CZ 2.87Å; D315-R370 IonicContact OD1-NE 2.83Å; D315-R370 PolarHBondContact OD1-NE 3.46Å; D315-R370 IonicContact OD1-NH2 3.16Å; D315-R370 PolarHBondContact OD1-NH2 3.46Å; I318-R370 HydrophobicContact CD1-CB 4.11Å; I318-R370 HydrophobicContact CD1-CG 3.82Å; I318-R370 HydrophobicContact CG2-CB 4.37Å; D366-R370 VanDerWaalsContact O-CB 3.3Å; D366-R370 WeakPolarHBondContact O-CB 3.32Å; D366-R370 PolarHBondContact O-N 2.86Å; I367-R370 PolarHBondContact O-N 3.21Å; E368-R370 VanDerWaalsContact C-N 3.31Å; E368-R370 PolarHBondContact O-N 3.38Å; R370-E373 IonicContact CZ-OE2 3.49Å; R370-E373 IonicContact NH1-OE2 2.7Å; R370-E373 PolarHBondContact NH1-OE2 3.03Å; R370-E373 PolarHBondContact O-N 3.47Å; R370-I374 HydrophobicContact CG-CD1 4.24Å; R370-I374 WeakPolarHBondContact O-CG1 3.34Å; R370-I374 PolarHBondContact O-N 2.8Å; R370-I374 VanDerWaalsContact O-N 3.11Å; R370-L397 HydrophobicContact CG-CD1 3.97Å
371	A	89.6	Confident	90.2	Very high	13 Å²	13	66.4 Å²	66.4	11%	0.107	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-43.2	174.6	0	0	0	0	0	111.2	I367 E368 I374 A375 L394	I367-A371 WeakPolarHBondContact O-CB 3.5Å; I367-A371 PolarHBondContact O-N 2.92Å; E368-A371 PolarHBondContact O-N 3.13Å; A371-I374 PolarHBondContact O-N 3.19Å; A371-A375 WeakPolarHBondContact O-CB 3.27Å; A371-A375 PolarHBondContact O-N 3.29Å; A371-L394 HydrophobicContact CB-CD1 3.8Å; A371-L394 VanDerWaalsContact O-CD1 3.3Å; A371-L394 WeakPolarHBondContact O-CD1 3.49Å
372	A	91	Very high	90	Very high	58 Å²	58	70.3 Å²	70.3	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-42.6	175.6	0	0	0	0	0	112.5	E368 K369 I374 A375 E376	E368-A372 WeakPolarHBondContact O-CB 3.07Å; E368-A372 PolarHBondContact O-N 3.48Å; K369-A372 PolarHBondContact O-N 3.44Å; A372-I374 VanDerWaalsContact C-N 3.32Å; A372-I374 PolarHBondContact O-N 3.21Å; A372-A375 PolarHBondContact O-N 2.98Å; A372-E376 PolarHBondContact O-N 3.35Å
373	E	92.6	Very high	89.9	Confident	70 Å²	70	72 Å²	72	33%	0.327	40%	0.4	S	S	.	.	H	α-helix	trans	-58.1	-42.9	173.6	-76.1	176.4	-175.3	0	0	111.9	K369 R370 Q377	K369-E373 WeakPolarHBondContact O-CG 3.38Å; K369-E373 PolarHBondContact O-N 2.96Å; R370-E373 IonicContact CZ-OE2 3.49Å; R370-E373 IonicContact NH1-OE2 2.7Å; R370-E373 PolarHBondContact NH1-OE2 3.03Å; R370-E373 PolarHBondContact O-N 3.47Å; E373-Q377 VanDerWaalsContact O-CG 3.28Å; E373-Q377 WeakPolarHBondContact O-CG 3.39Å; E373-Q377 PolarHBondContact O-N 2.91Å
374	I	91.4	Very high	89.1	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-69.7	-37.9	179.2	-66.4	165.6	0	0	0	110.8	R370 A371 A372 Q377 L378 L390 R393 L394 L397	R370-I374 HydrophobicContact CG-CD1 4.24Å; R370-I374 WeakPolarHBondContact O-CG1 3.34Å; R370-I374 PolarHBondContact O-N 2.8Å; R370-I374 VanDerWaalsContact O-N 3.11Å; A371-I374 PolarHBondContact O-N 3.19Å; A372-I374 VanDerWaalsContact C-N 3.32Å; A372-I374 PolarHBondContact O-N 3.21Å; I374-Q377 WeakPolarHBondContact O-CB 2.73Å; I374-Q377 PolarHBondContact O-N 3.13Å; I374-L378 WeakPolarHBondContact O-CB 3.32Å; I374-L378 PolarHBondContact O-N 3.01Å; I374-L390 HydrophobicContact CG2-CB 4.21Å; I374-L390 HydrophobicContact CG2-CD2 4Å; I374-L390 WeakPolarHBondContact CG2-O 3.35Å; I374-R393 HydrophobicContact CD1-CB 4.39Å; I374-L394 HydrophobicContact CB-CD1 4.36Å; I374-L394 HydrophobicContact CG2-CB 3.91Å; I374-L394 HydrophobicContact CG2-CD1 4.35Å; I374-L397 HydrophobicContact CD1-CD1 3.5Å; I374-L397 VanDerWaalsContact CD1-CD1 3.5Å
375	A	87.3	Confident	88.6	Confident	34 Å²	34	78.8 Å²	78.8	28%	0.281	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176	0	0	0	0	0	111.8	A371 A372 Q377 L378 E379 L394	A371-A375 WeakPolarHBondContact O-CB 3.27Å; A371-A375 PolarHBondContact O-N 3.29Å; A372-A375 PolarHBondContact O-N 2.98Å; A375-Q377 VanDerWaalsContact C-N 3.35Å; A375-Q377 PolarHBondContact O-N 3.36Å; A375-L378 VanDerWaalsContact O-CB 3.28Å; A375-L378 WeakPolarHBondContact O-CB 3.31Å; A375-L378 PolarHBondContact O-N 3.19Å; A375-L378 VanDerWaalsContact O-N 3.16Å; A375-E379 PolarHBondContact O-N 3.21Å; A375-L394 HydrophobicContact CB-CD2 4.39Å
376	E	92.1	Very high	88.3	Confident	125 Å²	125	80.6 Å²	80.6	58%	0.584	42%	0.415	S	S	*	.	H	α-helix	trans	-64.5	-38.6	174.9	-173.1	-179.8	-177.1	0	0	111.9	A372 L378 E379 N380	A372-E376 PolarHBondContact O-N 3.35Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.14Å; E376-E379 PolarHBondContact O-N 3.28Å; E376-N380 PolarHBondContact O-N 3.39Å; E376-N380 PolarHBondContact O-ND2 2.81Å
377	Q	89.7	Confident	87.8	Confident	85 Å²	85	79.9 Å²	79.9	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-36.8	173.1	-73.6	174.6	-2.2	0	0	112.2	E373 I374 A375 N380 T381 L390	E373-Q377 VanDerWaalsContact O-CG 3.28Å; E373-Q377 WeakPolarHBondContact O-CG 3.39Å; E373-Q377 PolarHBondContact O-N 2.91Å; I374-Q377 WeakPolarHBondContact O-CB 2.73Å; I374-Q377 PolarHBondContact O-N 3.13Å; A375-Q377 VanDerWaalsContact C-N 3.35Å; A375-Q377 PolarHBondContact O-N 3.36Å; Q377-N380 PolarHBondContact O-N 3.26Å; Q377-T381 PolarHBondContact O-N 3.22Å; Q377-L390 HydrophobicContact CB-CD1 4.03Å; Q377-L390 HydrophobicContact CB-CD2 4.19Å
378	L	86.7	Confident	87.1	Confident	38 Å²	38	84.5 Å²	84.5	20%	0.199	43%	0.428	C	S	.	.	H	α-helix	trans	-64.1	-39.9	178.9	-169.2	81.6	0	0	0	111.9	I374 A375 E376 N380 K387 L390 N391	I374-L378 WeakPolarHBondContact O-CB 3.32Å; I374-L378 PolarHBondContact O-N 3.01Å; A375-L378 VanDerWaalsContact O-CB 3.28Å; A375-L378 WeakPolarHBondContact O-CB 3.31Å; A375-L378 PolarHBondContact O-N 3.19Å; A375-L378 VanDerWaalsContact O-N 3.16Å; E376-L378 VanDerWaalsContact C-N 3.28Å; E376-L378 PolarHBondContact O-N 3.14Å; L378-N380 VanDerWaalsContact C-N 3.34Å; L378-K387 HydrophobicContact CD1-CB 4.25Å; L378-K387 HydrophobicContact CD1-CG 4.46Å; L378-K387 WeakPolarHBondContact CD1-O 3.35Å; L378-L390 HydrophobicContact CD1-CB 3.57Å; L378-L390 HydrophobicContact CD1-CD1 4.44Å; L378-N391 VanDerWaalsContact CD2-OD1 3.26Å; L378-N391 WeakPolarHBondContact CD2-OD1 3.48Å
379	E	87	Confident	86.9	Confident	167 Å²	167	80 Å²	80	78%	0.78	41%	0.407	S	S	*	.	H	α-helix	trans	-67.9	-34.9	177.9	-68.9	-175.2	174.4	0	0	112.4	A375 E376	A375-E379 PolarHBondContact O-N 3.21Å; E376-E379 PolarHBondContact O-N 3.28Å
380	N	89.3	Confident	86.6	Confident	119 Å²	119	74.4 Å²	74.4	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-86.4	-20.2	-175.5	-71.8	-52.2	0	0	0	114	E376 Q377 L378	E376-N380 PolarHBondContact O-N 3.39Å; E376-N380 PolarHBondContact O-ND2 2.81Å; Q377-N380 PolarHBondContact O-N 3.26Å; L378-N380 VanDerWaalsContact C-N 3.34Å
381	T	88.9	Confident	85.9	Confident	18 Å²	18	77.5 Å²	77.5	11%	0.11	40%	0.4	C	S	.	.			trans	-79.2	141.2	179.2	-169	0	0	0	0	111.9	Q377 S383 E386 K387 L390	Q377-T381 PolarHBondContact O-N 3.22Å; T381-S383 PolarHBondContact OG1-N 2.75Å; T381-E386 HydrophobicContact CG2-CB 4.29Å; T381-E386 PolarHBondContact OG1-OE2 3.07Å; T381-K387 HydrophobicContact CG2-CB 4.44Å; T381-K387 HydrophobicContact CG2-CD 4.48Å; T381-K387 HydrophobicContact CG2-CG 3.42Å; T381-K387 VanDerWaalsContact CG2-CG 3.42Å; T381-K387 WeakPolarHBondContact O-CE 3.33Å; T381-L390 HydrophobicContact CG2-CD1 3.91Å
382	T	85.4	Confident	85.5	Confident	132 Å²	132	79.4 Å²	79.4	81%	0.81	41%	0.407	S	S	*	.			trans	-104.4	-8.3	175.3	54.2	0	0	0	0	112.6
383	S	87.4	Confident	85.4	Confident	47 Å²	47	77.1 Å²	77.1	33%	0.329	39%	0.386	S	S	.	.			trans	-85.5	119.3	-179	174.1	0	0	0	0	111.1	T381 Y385 E386 K387	T381-S383 PolarHBondContact OG1-N 2.75Å; S383-Y385 PolarHBondContact O-N 3.41Å; S383-E386 PolarHBondContact O-N 3.36Å; S383-E386 VanDerWaalsContact O-N 3.13Å; S383-E386 PolarHBondContact OG-N 3.39Å; S383-K387 WeakPolarHBondContact O-CG 3.2Å; S383-K387 PolarHBondContact O-N 3.02Å
384	D	74.6	Confident	84.9	Confident	130 Å²	130	75.5 Å²	75.5	70%	0.695	38%	0.379	S	S	*	.	H	α-helix	trans	-60.2	-34.2	178.7	-66.3	-31.7	0	0	0	112.5	K387 E388	D384-K387 PolarHBondContact O-N 2.84Å; D384-E388 PolarHBondContact O-N 3.4Å
385	Y	78.5	Confident	84.3	Confident	154 Å²	154	77.4 Å²	77.4	60%	0.604	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-44.9	174.8	174.4	-97.7	0	0	0	112	S383 E388 K389	S383-Y385 PolarHBondContact O-N 3.41Å; Y385-E388 PolarHBondContact O-N 3.46Å; Y385-K389 HydrophobicContact CE1-CG 4.36Å; Y385-K389 HydrophobicContact CE2-CG 4.49Å; Y385-K389 PolarHBondContact O-N 3.38Å; Y385-K389 VanDerWaalsContact O-N 3.16Å
386	E	83.9	Confident	84.1	Confident	101 Å²	101	77.8 Å²	77.8	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-69	-38.5	177.6	-69.6	-176	176.1	0	0	111.6	T381 S383 E388 K389 L390	T381-E386 HydrophobicContact CG2-CB 4.29Å; T381-E386 PolarHBondContact OG1-OE2 3.07Å; S383-E386 PolarHBondContact O-N 3.36Å; S383-E386 VanDerWaalsContact O-N 3.13Å; S383-E386 PolarHBondContact OG-N 3.39Å; E386-E388 VanDerWaalsContact C-N 3.29Å; E386-E388 PolarHBondContact O-N 3.31Å; E386-K389 PolarHBondContact O-N 2.83Å; E386-L390 WeakPolarHBondContact O-CB 3.43Å; E386-L390 VanDerWaalsContact O-CG 3.31Å; E386-L390 WeakPolarHBondContact O-CG 3.39Å; E386-L390 PolarHBondContact O-N 3.07Å
387	K	81.3	Confident	83.5	Confident	74 Å²	74	72.9 Å²	72.9	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-57	-45	173.4	-72.4	-179	-178.4	172.2	0	111.6	L378 T381 S383 D384 K389 N391	L378-K387 HydrophobicContact CD1-CB 4.25Å; L378-K387 HydrophobicContact CD1-CG 4.46Å; L378-K387 WeakPolarHBondContact CD1-O 3.35Å; T381-K387 HydrophobicContact CG2-CB 4.44Å; T381-K387 HydrophobicContact CG2-CD 4.48Å; T381-K387 HydrophobicContact CG2-CG 3.42Å; T381-K387 VanDerWaalsContact CG2-CG 3.42Å; T381-K387 WeakPolarHBondContact O-CE 3.33Å; S383-K387 WeakPolarHBondContact O-CG 3.2Å; S383-K387 PolarHBondContact O-N 3.02Å; D384-K387 PolarHBondContact O-N 2.84Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 3.35Å; K387-N391 VanDerWaalsContact O-CB 3.28Å; K387-N391 WeakPolarHBondContact O-CB 3.47Å; K387-N391 PolarHBondContact O-N 3.43Å; K387-N391 PolarHBondContact O-ND2 2.87Å
388	E	77.6	Confident	82.7	Confident	119 Å²	119	71.8 Å²	71.8	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-60.7	-45.3	177.5	-167.6	-174.4	166.5	0	0	111.1	D384 Y385 E386 N391 E392	D384-E388 PolarHBondContact O-N 3.4Å; Y385-E388 PolarHBondContact O-N 3.46Å; E386-E388 VanDerWaalsContact C-N 3.29Å; E386-E388 PolarHBondContact O-N 3.31Å; E388-N391 PolarHBondContact O-N 3.19Å; E388-E392 WeakPolarHBondContact O-CB 3.32Å; E388-E392 PolarHBondContact O-N 3.37Å
389	K	84.6	Confident	81.7	Confident	53 Å²	53	73.8 Å²	73.8	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-70.5	-36.6	-180	-66.3	-43.7	-173.6	-169.4	0	114.2	Y385 E386 K387 E392 R393	Y385-K389 HydrophobicContact CE1-CG 4.36Å; Y385-K389 HydrophobicContact CE2-CG 4.49Å; Y385-K389 PolarHBondContact O-N 3.38Å; Y385-K389 VanDerWaalsContact O-N 3.16Å; E386-K389 PolarHBondContact O-N 2.83Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 3.35Å; K389-E392 WeakPolarHBondContact CD-OE2 3.44Å; K389-E392 IonicContact NZ-OE2 2.78Å; K389-E392 PolarHBondContact NZ-OE2 2.9Å; K389-E392 PolarHBondContact O-N 3.1Å; K389-R393 VanDerWaalsContact O-CG 3.29Å; K389-R393 WeakPolarHBondContact O-CG 3.39Å; K389-R393 PolarHBondContact O-N 3.07Å; K389-R393 VanDerWaalsContact O-N 3.09Å
390	L	86.8	Confident	81	Confident	14 Å²	14	66.6 Å²	66.6	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-42.2	174.1	-71.2	168.4	0	0	0	111	I374 Q377 L378 T381 E386 E392 R393 L394	I374-L390 HydrophobicContact CG2-CB 4.21Å; I374-L390 HydrophobicContact CG2-CD2 4Å; I374-L390 WeakPolarHBondContact CG2-O 3.35Å; Q377-L390 HydrophobicContact CB-CD1 4.03Å; Q377-L390 HydrophobicContact CB-CD2 4.19Å; L378-L390 HydrophobicContact CD1-CB 3.57Å; L378-L390 HydrophobicContact CD1-CD1 4.44Å; T381-L390 HydrophobicContact CG2-CD1 3.91Å; E386-L390 WeakPolarHBondContact O-CB 3.43Å; E386-L390 VanDerWaalsContact O-CG 3.31Å; E386-L390 WeakPolarHBondContact O-CG 3.39Å; E386-L390 PolarHBondContact O-N 3.07Å; L390-E392 PolarHBondContact O-N 3Å; L390-R393 PolarHBondContact O-N 3.08Å; L390-L394 WeakPolarHBondContact O-CB 3.06Å; L390-L394 PolarHBondContact O-N 3.39Å
391	N	78.7	Confident	80.6	Confident	77 Å²	77	60.9 Å²	60.9	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-43.1	173	-82.1	-46.3	0	0	0	112.2	L378 K387 E388 R393 L394 A395	L378-N391 VanDerWaalsContact CD2-OD1 3.26Å; L378-N391 WeakPolarHBondContact CD2-OD1 3.48Å; K387-N391 VanDerWaalsContact O-CB 3.28Å; K387-N391 WeakPolarHBondContact O-CB 3.47Å; K387-N391 PolarHBondContact O-N 3.43Å; K387-N391 PolarHBondContact O-ND2 2.87Å; E388-N391 PolarHBondContact O-N 3.19Å; N391-R393 VanDerWaalsContact C-N 3.32Å; N391-R393 PolarHBondContact O-N 3.09Å; N391-L394 PolarHBondContact O-N 3.49Å; N391-A395 WeakPolarHBondContact O-CB 3.11Å; N391-A395 PolarHBondContact O-N 2.99Å
392	E	81.1	Confident	80.5	Confident	53 Å²	53	60 Å²	60	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-44	177.2	-167.5	-163	139.3	0	0	111.5	E388 K389 L390 K396	E388-E392 WeakPolarHBondContact O-CB 3.32Å; E388-E392 PolarHBondContact O-N 3.37Å; K389-E392 WeakPolarHBondContact CD-OE2 3.44Å; K389-E392 IonicContact NZ-OE2 2.78Å; K389-E392 PolarHBondContact NZ-OE2 2.9Å; K389-E392 PolarHBondContact O-N 3.1Å; L390-E392 PolarHBondContact O-N 3Å; E392-K396 VanDerWaalsContact O-CG 3.28Å; E392-K396 WeakPolarHBondContact O-CG 3.49Å; E392-K396 PolarHBondContact O-N 3.45Å; E392-K396 IonicContact OE1-NZ 3.22Å; E392-K396 PolarHBondContact OE1-NZ 2.96Å
393	R	87.6	Confident	80.5	Confident	10 Å²	10	53.8 Å²	53.8	4%	0.038	28%	0.277	C	S	.	.	H	α-helix	trans	-68.9	-42.7	178.1	-71	170.4	60.5	-140.5	-13.1	112.1	Q312 D315 I374 K389 L390 N391 K396 L397	Q312-R393 HydrophobicContact CG-CG 4.05Å; D315-R393 VanDerWaalsContact CG-NH2 3.35Å; D315-R393 IonicContact OD1-NH2 2.72Å; D315-R393 PolarHBondContact OD1-NH2 2.74Å; D315-R393 IonicContact OD2-CZ 3.99Å; D315-R393 VanDerWaalsContact OD2-CZ 3.22Å; D315-R393 IonicContact OD2-NE 2.9Å; D315-R393 PolarHBondContact OD2-NE 3.21Å; D315-R393 IonicContact OD2-NH2 2.64Å; D315-R393 PolarHBondContact OD2-NH2 3.18Å; I374-R393 HydrophobicContact CD1-CB 4.39Å; K389-R393 VanDerWaalsContact O-CG 3.29Å; K389-R393 WeakPolarHBondContact O-CG 3.39Å; K389-R393 PolarHBondContact O-N 3.07Å; K389-R393 VanDerWaalsContact O-N 3.09Å; L390-R393 PolarHBondContact O-N 3.08Å; N391-R393 VanDerWaalsContact C-N 3.32Å; N391-R393 PolarHBondContact O-N 3.09Å; R393-K396 PolarHBondContact O-N 3.13Å; R393-L397 PolarHBondContact O-N 3.17Å
394	L	83.8	Confident	80.6	Confident	35 Å²	35	51.8 Å²	51.8	18%	0.183	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-46.2	178.9	-174.9	63.4	0	0	0	111.3	A371 I374 A375 L390 N391 K396 L397 S398	A371-L394 HydrophobicContact CB-CD1 3.8Å; A371-L394 VanDerWaalsContact O-CD1 3.3Å; A371-L394 WeakPolarHBondContact O-CD1 3.49Å; I374-L394 HydrophobicContact CB-CD1 4.36Å; I374-L394 HydrophobicContact CG2-CB 3.91Å; I374-L394 HydrophobicContact CG2-CD1 4.35Å; A375-L394 HydrophobicContact CB-CD2 4.39Å; L390-L394 WeakPolarHBondContact O-CB 3.06Å; L390-L394 PolarHBondContact O-N 3.39Å; N391-L394 PolarHBondContact O-N 3.49Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.09Å; L394-L397 PolarHBondContact O-N 2.88Å; L394-L397 VanDerWaalsContact O-N 3.11Å; L394-S398 WeakPolarHBondContact CD1-OG 3.28Å; L394-S398 VanDerWaalsContact O-CB 3.27Å; L394-S398 WeakPolarHBondContact O-CB 3.48Å; L394-S398 PolarHBondContact O-N 2.9Å; L394-S398 PolarHBondContact O-OG 3.03Å
395	A	78.2	Confident	81.2	Confident	40 Å²	40	48.2 Å²	48.2	33%	0.331	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-41.8	177.6	0	0	0	0	0	111.6	N391 L397 S398 D399	N391-A395 WeakPolarHBondContact O-CB 3.11Å; N391-A395 PolarHBondContact O-N 2.99Å; A395-L397 PolarHBondContact O-N 3.17Å; A395-S398 PolarHBondContact O-N 2.91Å; A395-D399 WeakPolarHBondContact O-CB 3.33Å; A395-D399 PolarHBondContact O-N 2.95Å
396	K	82.3	Confident	81.8	Confident	42 Å²	42	41 Å²	41	18%	0.183	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-23.7	176.8	-77.3	173.2	-177.4	-179.8	0	114.1	M217 K218 E392 R393 L394	M217-K396 HydrophobicContact CG-CB 4.17Å; K218-K396 WeakPolarHBondContact O-CD 3.42Å; K218-K396 WeakPolarHBondContact O-CE 3.44Å; K218-K396 PolarHBondContact O-NZ 2.89Å; E392-K396 VanDerWaalsContact O-CG 3.28Å; E392-K396 WeakPolarHBondContact O-CG 3.49Å; E392-K396 PolarHBondContact O-N 3.45Å; E392-K396 IonicContact OE1-NZ 3.22Å; E392-K396 PolarHBondContact OE1-NZ 2.96Å; R393-K396 PolarHBondContact O-N 3.13Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.09Å
397	L	81.2	Confident	82.2	Confident	22 Å²	22	36.2 Å²	36.2	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-94.6	-30.7	176.4	-73.7	168.8	0	0	0	112.8	M217 D315 A319 I367 R370 I374 R393 L394 A395	M217-L397 HydrophobicContact CE-CD2 3.86Å; D315-L397 HydrophobicContact CB-CD1 4.11Å; D315-L397 HydrophobicContact CB-CD2 4.28Å; D315-L397 HydrophobicContact CB-CG 4.47Å; A319-L397 HydrophobicContact CB-CD2 4.2Å; I367-L397 HydrophobicContact CG2-CD2 4.47Å; R370-L397 HydrophobicContact CG-CD1 3.97Å; I374-L397 HydrophobicContact CD1-CD1 3.5Å; I374-L397 VanDerWaalsContact CD1-CD1 3.5Å; R393-L397 PolarHBondContact O-N 3.17Å; L394-L397 PolarHBondContact O-N 2.88Å; L394-L397 VanDerWaalsContact O-N 3.11Å; A395-L397 PolarHBondContact O-N 3.17Å
398	S	71.4	Confident	82.6	Confident	63 Å²	63	33.4 Å²	33.4	44%	0.441	18%	0.183	S	C	.	.	H	α-helix	trans	-106.8	-36.6	-165.9	-44.7	0	0	0	0	114.1	L394 A395 G400	L394-S398 WeakPolarHBondContact CD1-OG 3.28Å; L394-S398 VanDerWaalsContact O-CB 3.27Å; L394-S398 WeakPolarHBondContact O-CB 3.48Å; L394-S398 PolarHBondContact O-N 2.9Å; L394-S398 PolarHBondContact O-OG 3.03Å; A395-S398 PolarHBondContact O-N 2.91Å; S398-G400 PolarHBondContact O-N 3.22Å
399	D	66.6	Low	83.2	Confident	80 Å²	80	33 Å²	33	43%	0.428	19%	0.189	S	C	.	.	S	Bend	trans	-89.8	2.3	-165.4	-70.8	-30.9	0	0	0	114.5	A395	A395-D399 WeakPolarHBondContact O-CB 3.33Å; A395-D399 PolarHBondContact O-N 2.95Å
400	G	72.8	Confident	83.4	Confident	15 Å²	15	33.1 Å²	33.1	16%	0.155	20%	0.196	C	C	.	.			trans	58.2	-176.9	180	0	0	0	0	0	113.8	S398	S398-G400 PolarHBondContact O-N 3.22Å
401	V	80.3	Confident	83.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.1	178.5	-178	0	0	0	0	108	V198 T200 I214 G216 L356 L358	V198-V401 HydrophobicContact CB-CG1 4.08Å; V198-V401 HydrophobicContact CB-CG2 4.12Å; V198-V401 HydrophobicContact CG1-CG1 3.81Å; V198-V401 HydrophobicContact CG1-CG2 4.37Å; V198-V401 WeakPolarHBondContact O-CA 3.17Å; T200-V401 HydrophobicContact CG2-CG1 4.11Å; I214-V401 PolarHBondContact N-O 3.32Å; I214-V401 WeakPolarHBondContact O-CA 3.26Å; I214-V401 PolarHBondContact O-N 3.21Å; G216-V401 VanDerWaalsContact C-CG2 3.41Å; G216-V401 WeakPolarHBondContact O-CG2 3.42Å; L356-V401 HydrophobicContact CD1-CG1 4.32Å; L356-V401 HydrophobicContact CD1-CG2 4.26Å; L358-V401 HydrophobicContact CD2-CB 3.83Å; L358-V401 HydrophobicContact CD2-CG1 3.74Å; L358-V401 HydrophobicContact CD2-CG2 3.97Å
402	A	85.8	Confident	83.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.3	172	0	0	0	0	0	109.2	A189 V193 V198 I199 T200 L211 E212	A189-A402 HydrophobicContact CB-CB 3.99Å; V193-A402 HydrophobicContact CG1-CB 3.68Å; V193-A402 HydrophobicContact CG2-CB 4.26Å; V198-A402 PolarHBondContact O-N 2.98Å; I199-A402 CarbonylContact C-O 3.58Å; I199-A402 VanDerWaalsContact CA-O 3.28Å; I199-A402 WeakPolarHBondContact CA-O 3.38Å; I199-A402 HydrophobicContact CB-CB 4.44Å; I199-A402 HydrophobicContact CG1-CB 4.11Å; I199-A402 HydrophobicContact CG2-CB 4.2Å; T200-A402 PolarHBondContact N-O 3.5Å; L211-A402 HydrophobicContact CD1-CB 3.75Å; E212-A402 CarbonylContact O-C 3.6Å
403	V	85.3	Confident	84	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.4	173.7	-175.9	0	0	0	0	108.4	T200 K202 E212 I214 K405	T200-V403 HydrophobicContact CG2-CB 4.16Å; T200-V403 HydrophobicContact CG2-CG1 4.17Å; T200-V403 HydrophobicContact CG2-CG2 3.66Å; T200-V403 WeakPolarHBondContact O-CA 3.48Å; K202-V403 HydrophobicContact CB-CG1 4.34Å; K202-V403 HydrophobicContact CD-CG1 3.68Å; K202-V403 HydrophobicContact CG-CG1 3.96Å; E212-V403 PolarHBondContact N-O 2.89Å; E212-V403 PolarHBondContact O-N 3.4Å; I214-V403 HydrophobicContact CB-CG2 4.39Å; I214-V403 HydrophobicContact CD1-CB 4Å; I214-V403 HydrophobicContact CD1-CG2 3.41Å; I214-V403 VanDerWaalsContact CD1-CG2 3.41Å; I214-V403 HydrophobicContact CG1-CB 4.49Å; I214-V403 HydrophobicContact CG1-CG2 3.87Å; V403-K405 HydrophobicContact CG1-CG 4.33Å
404	L	89.7	Confident	84	Confident	5 Å²	5	39 Å²	39	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.6	172.9	-64.8	-178.2	0	0	0	109	I185 I186 A189 I199 T200 V201 K202 L211 V421	I185-L404 HydrophobicContact CG2-CD1 4.32Å; I185-L404 HydrophobicContact CG2-CD2 3.22Å; I185-L404 HydrophobicContact CG2-CG 4.36Å; I186-L404 HydrophobicContact CG1-CD1 4.02Å; A189-L404 HydrophobicContact CB-CD2 4.39Å; I199-L404 HydrophobicContact CG2-CD1 3.78Å; I199-L404 HydrophobicContact CG2-CG 3.94Å; T200-L404 PolarHBondContact O-N 3.26Å; V201-L404 CarbonylContact C-O 3.6Å; V201-L404 WeakPolarHBondContact CA-O 3.43Å; V201-L404 HydrophobicContact CG2-CB 4.46Å; K202-L404 PolarHBondContact N-O 3.48Å; L211-L404 HydrophobicContact CB-CD2 4.01Å; L211-L404 HydrophobicContact CD1-CD2 3.58Å; L211-L404 HydrophobicContact CG-CD2 4.3Å; L404-V421 HydrophobicContact CD1-CG1 4.02Å
405	K	88.4	Confident	84.1	Confident	55 Å²	55	38.9 Å²	38.9	24%	0.239	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.7	173.6	-61.5	178.6	-169.6	162.1	0	108.4	K202 D209 E210 E212 V403	K202-K405 CarbonylContact O-C 3.5Å; K202-K405 WeakPolarHBondContact O-CA 3.49Å; D209-K405 CarbonylContact C-O 3.59Å; D209-K405 VanDerWaalsContact CA-O 3.29Å; D209-K405 WeakPolarHBondContact CA-O 3.28Å; E210-K405 HydrophobicContact CB-CB 4.25Å; E210-K405 PolarHBondContact N-O 3.02Å; E210-K405 PolarHBondContact O-N 3.06Å; E212-K405 WeakPolarHBondContact OE2-CE 3.24Å; E212-K405 IonicContact OE2-NZ 2.65Å; E212-K405 PolarHBondContact OE2-NZ 3.46Å; V403-K405 HydrophobicContact CG1-CG 4.33Å
406	V	91.4	Very high	84.7	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.7	-177.3	-178	0	0	0	0	109.2	V201 K202 G204 D209 K417 K418 V421	V201-V406 HydrophobicContact CG1-CG2 3.46Å; V201-V406 VanDerWaalsContact CG1-CG2 3.46Å; K202-V406 PolarHBondContact O-N 3.5Å; G204-V406 VanDerWaalsContact CA-O 3.28Å; G204-V406 WeakPolarHBondContact CA-O 3.3Å; G204-V406 PolarHBondContact N-O 3.48Å; D209-V406 WeakPolarHBondContact OD1-CA 3.45Å; V406-K417 HydrophobicContact CG1-CB 3.75Å; V406-K417 HydrophobicContact CG1-CD 3.65Å; V406-K417 HydrophobicContact CG1-CG 3.57Å; V406-K418 HydrophobicContact CG2-CB 4.41Å; V406-V421 HydrophobicContact CG2-CB 4.26Å; V406-V421 HydrophobicContact CG2-CG1 4.39Å; V406-V421 HydrophobicContact CG2-CG2 3.95Å
407	G	90.9	Very high	85.1	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	21%	0.214	C	C	.	.			trans	-84.1	166.3	178.1	0	0	0	0	0	112.6	T206 D209	T206-G407 WeakPolarHBondContact O-CA 3.44Å; D209-G407 PolarHBondContact OD1-N 3.32Å
408	G	90.1	Very high	85.5	Confident	16 Å²	16	38.9 Å²	38.9	17%	0.165	22%	0.219	C	C	.	.			trans	171.8	169.2	175.3	0	0	0	0	0	112.7	T206	T206-G408 PolarHBondContact O-N 3.17Å
409	T	90.1	Very high	86.2	Confident	111 Å²	111	37.7 Å²	37.7	68%	0.681	21%	0.208	S	C	*	.	S	Bend	trans	-87.8	-22.5	-176.2	63.4	0	0	0	0	113.3	L207 E413	L207-T409 HydrophobicContact CD2-CG2 3.84Å; T409-E413 WeakPolarHBondContact CB-OE2 3.38Å; T409-E413 PolarHBondContact N-OE2 2.89Å; T409-E413 PolarHBondContact OG1-OE2 2.83Å
410	S	88.2	Confident	87.3	Confident	55 Å²	55	36 Å²	36	39%	0.385	20%	0.195	S	C	.	.	S	Bend	trans	-143.7	154.7	-178.2	68.3	0	0	0	0	111.2	I412 E413 V414	S410-I412 PolarHBondContact O-N 3.26Å; S410-E413 PolarHBondContact O-N 3.39Å; S410-E413 VanDerWaalsContact O-N 3.17Å; S410-E413 WeakPolarHBondContact OG-CB 3.33Å; S410-E413 PolarHBondContact OG-N 3.29Å; S410-V414 WeakPolarHBondContact O-CG2 3.41Å; S410-V414 PolarHBondContact O-N 3.32Å
411	D	84.6	Confident	88.2	Confident	127 Å²	127	35.5 Å²	35.5	68%	0.679	19%	0.189	S	C	*	.	H	α-helix	trans	-57	-37.8	178.4	-66.3	-27.5	0	0	0	111.9	V414 N415	D411-V414 PolarHBondContact O-N 3.02Å; D411-N415 WeakPolarHBondContact O-CB 3.26Å; D411-N415 VanDerWaalsContact O-CG 3.28Å; D411-N415 PolarHBondContact O-N 3.38Å; D411-N415 PolarHBondContact O-ND2 3.24Å
412	I	86.5	Confident	88.6	Confident	57 Å²	57	37.8 Å²	37.8	29%	0.292	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-46.2	-179.4	-57.9	174.4	0	0	0	110.4	V73 S410 N415 E416	V73-I412 HydrophobicContact CB-CG2 3.98Å; V73-I412 HydrophobicContact CG2-CG2 3.75Å; S410-I412 PolarHBondContact O-N 3.26Å; I412-N415 PolarHBondContact O-N 3.19Å; I412-E416 PolarHBondContact O-N 3.35Å
413	E	88.3	Confident	88.7	Confident	83 Å²	83	39 Å²	39	39%	0.388	21%	0.209	S	C	.	.	H	α-helix	trans	-63.1	-47	177.3	-177.5	-174.9	-168.5	0	0	111.5	T409 S410 N415 E416 K417	T409-E413 WeakPolarHBondContact CB-OE2 3.38Å; T409-E413 PolarHBondContact N-OE2 2.89Å; T409-E413 PolarHBondContact OG1-OE2 2.83Å; S410-E413 PolarHBondContact O-N 3.39Å; S410-E413 VanDerWaalsContact O-N 3.17Å; S410-E413 WeakPolarHBondContact OG-CB 3.33Å; S410-E413 PolarHBondContact OG-N 3.29Å; E413-N415 VanDerWaalsContact C-N 3.32Å; E413-N415 PolarHBondContact O-N 2.82Å; E413-E416 PolarHBondContact O-N 2.78Å; E413-K417 VanDerWaalsContact O-CB 3.31Å; E413-K417 WeakPolarHBondContact O-CB 3.42Å; E413-K417 PolarHBondContact O-N 3.05Å
414	V	89.3	Confident	89.1	Confident	11 Å²	11	39 Å²	39	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-42.5	178.6	174.6	0	0	0	0	110.8	D203 S410 D411 K417 K418	D203-V414 HydrophobicContact CB-CG1 4.21Å; S410-V414 WeakPolarHBondContact O-CG2 3.41Å; S410-V414 PolarHBondContact O-N 3.32Å; D411-V414 PolarHBondContact O-N 3.02Å; V414-K417 PolarHBondContact O-N 3.06Å; V414-K418 WeakPolarHBondContact O-CB 3.41Å; V414-K418 PolarHBondContact O-N 2.78Å
415	N	84.9	Confident	89.1	Confident	31 Å²	31	39 Å²	39	17%	0.166	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-43	178.8	-73.6	-69.4	0	0	0	111.8	K233 D411 I412 E413 K418 D419	K233-N415 PolarHBondContact NZ-ND2 3.43Å; K233-N415 PolarHBondContact NZ-OD1 3.01Å; D411-N415 WeakPolarHBondContact O-CB 3.26Å; D411-N415 VanDerWaalsContact O-CG 3.28Å; D411-N415 PolarHBondContact O-N 3.38Å; D411-N415 PolarHBondContact O-ND2 3.24Å; I412-N415 PolarHBondContact O-N 3.19Å; E413-N415 VanDerWaalsContact C-N 3.32Å; E413-N415 PolarHBondContact O-N 2.82Å; N415-K418 PolarHBondContact O-N 2.76Å; N415-D419 PolarHBondContact O-N 3.33Å
416	E	90.2	Very high	89.1	Confident	30 Å²	30	38.4 Å²	38.4	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176.2	-170.5	-78.4	164.6	0	0	111.4	I412 E413 K418 D419 R420	I412-E416 PolarHBondContact O-N 3.35Å; E413-E416 PolarHBondContact O-N 2.78Å; E416-K418 VanDerWaalsContact C-N 3.3Å; E416-K418 PolarHBondContact O-N 3.32Å; E416-D419 PolarHBondContact O-N 3.36Å; E416-R420 PolarHBondContact O-N 3.16Å; E416-R420 VanDerWaalsContact O-N 3.09Å; E416-R420 WeakPolarHBondContact OE1-CD 3.29Å; E416-R420 IonicContact OE1-NE 2.67Å; E416-R420 PolarHBondContact OE1-NE 3.45Å; E416-R420 VanDerWaalsContact OE1-NE 3.16Å; E416-R420 IonicContact OE2-CZ 3.64Å; E416-R420 IonicContact OE2-NE 2.83Å; E416-R420 PolarHBondContact OE2-NE 3.39Å; E416-R420 IonicContact OE2-NH2 3.2Å; E416-R420 PolarHBondContact OE2-NH2 3.33Å
417	K	91.1	Very high	89.1	Confident	25 Å²	25	38.3 Å²	38.3	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-38.7	179.9	-169.2	176.7	-177.9	-168.2	0	111	I182 D209 V406 E413 V414 R420 V421	I182-K417 HydrophobicContact CD1-CG 4.18Å; D209-K417 WeakPolarHBondContact OD1-CE 3.39Å; D209-K417 IonicContact OD1-NZ 2.81Å; D209-K417 PolarHBondContact OD1-NZ 2.68Å; D209-K417 WeakPolarHBondContact OD2-CE 3.47Å; D209-K417 IonicContact OD2-NZ 2.65Å; D209-K417 PolarHBondContact OD2-NZ 2.67Å; V406-K417 HydrophobicContact CG1-CB 3.75Å; V406-K417 HydrophobicContact CG1-CD 3.65Å; V406-K417 HydrophobicContact CG1-CG 3.57Å; E413-K417 VanDerWaalsContact O-CB 3.31Å; E413-K417 WeakPolarHBondContact O-CB 3.42Å; E413-K417 PolarHBondContact O-N 3.05Å; V414-K417 PolarHBondContact O-N 3.06Å; K417-R420 WeakPolarHBondContact O-CB 3.38Å; K417-R420 PolarHBondContact O-N 3.39Å; K417-V421 VanDerWaalsContact O-CG2 3.3Å; K417-V421 WeakPolarHBondContact O-CG2 3.42Å; K417-V421 PolarHBondContact O-N 3.42Å
418	K	88.8	Confident	89.2	Confident	49 Å²	49	38.3 Å²	38.3	21%	0.213	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-41.3	175.1	176.2	174	-178.4	-177.5	0	112.9	V201 D203 V406 V414 N415 E416 R420 V421 T422	V201-K418 HydrophobicContact CG1-CG 3.89Å; D203-K418 WeakPolarHBondContact OD1-CD 3.33Å; D203-K418 WeakPolarHBondContact OD1-CE 3.31Å; D203-K418 IonicContact OD1-NZ 2.78Å; D203-K418 PolarHBondContact OD1-NZ 2.95Å; V406-K418 HydrophobicContact CG2-CB 4.41Å; V414-K418 WeakPolarHBondContact O-CB 3.41Å; V414-K418 PolarHBondContact O-N 2.78Å; N415-K418 PolarHBondContact O-N 2.76Å; E416-K418 VanDerWaalsContact C-N 3.3Å; E416-K418 PolarHBondContact O-N 3.32Å; K418-R420 VanDerWaalsContact C-N 3.32Å; K418-V421 PolarHBondContact O-N 3.17Å; K418-T422 WeakPolarHBondContact O-CB 3.37Å; K418-T422 PolarHBondContact O-N 3.34Å; K418-T422 PolarHBondContact O-OG1 2.89Å
419	D	86.8	Confident	89.1	Confident	38 Å²	38	40.7 Å²	40.7	20%	0.203	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-49.2	173.3	-71	-13	0	0	0	108.7	K72 N415 E416 V421 T422 D423	K72-D419 WeakPolarHBondContact CE-OD2 3.37Å; K72-D419 IonicContact NZ-OD1 3.7Å; K72-D419 IonicContact NZ-OD2 2.8Å; K72-D419 PolarHBondContact NZ-OD2 3.17Å; N415-D419 PolarHBondContact O-N 3.33Å; E416-D419 PolarHBondContact O-N 3.36Å; D419-V421 PolarHBondContact O-N 3.38Å; D419-T422 WeakPolarHBondContact O-CB 3.47Å; D419-T422 PolarHBondContact O-N 3.43Å; D419-T422 VanDerWaalsContact O-N 3.1Å; D419-D423 VanDerWaalsContact O-CG 3.31Å; D419-D423 PolarHBondContact O-N 2.91Å
420	R	89.9	Confident	89.2	Confident	45 Å²	45	35.5 Å²	35.5	17%	0.17	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-43.1	176.1	-70	-166.8	-72.8	129.8	-0.6	114.5	A176 D179 E416 K417 K418 T422 D423 A424	A176-R420 PolarHBondContact O-NH1 2.95Å; D179-R420 IonicContact OD2-CZ 3.96Å; D179-R420 IonicContact OD2-NH1 3.04Å; D179-R420 PolarHBondContact OD2-NH1 2.9Å; E416-R420 PolarHBondContact O-N 3.16Å; E416-R420 VanDerWaalsContact O-N 3.09Å; E416-R420 WeakPolarHBondContact OE1-CD 3.29Å; E416-R420 IonicContact OE1-NE 2.67Å; E416-R420 PolarHBondContact OE1-NE 3.45Å; E416-R420 VanDerWaalsContact OE1-NE 3.16Å; E416-R420 IonicContact OE2-CZ 3.64Å; E416-R420 IonicContact OE2-NE 2.83Å; E416-R420 PolarHBondContact OE2-NE 3.39Å; E416-R420 IonicContact OE2-NH2 3.2Å; E416-R420 PolarHBondContact OE2-NH2 3.33Å; K417-R420 WeakPolarHBondContact O-CB 3.38Å; K417-R420 PolarHBondContact O-N 3.39Å; K418-R420 VanDerWaalsContact C-N 3.32Å; R420-T422 VanDerWaalsContact C-N 3.28Å; R420-T422 PolarHBondContact O-N 3.12Å; R420-D423 PolarHBondContact O-N 3.16Å; R420-A424 WeakPolarHBondContact O-CB 3.49Å; R420-A424 PolarHBondContact O-N 3.35Å
421	V	92.1	Very high	89.4	Confident	5 Å²	5	33 Å²	33	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-37.4	177.1	174.8	0	0	0	0	110.6	I182 V201 L404 V406 K417 K418 D419 L425	I182-V421 HydrophobicContact CD1-CG2 3.62Å; I182-V421 HydrophobicContact CG1-CG2 3.83Å; I182-V421 HydrophobicContact CG2-CB 4.48Å; I182-V421 HydrophobicContact CG2-CG2 3.9Å; V201-V421 HydrophobicContact CG1-CB 4.18Å; V201-V421 HydrophobicContact CG1-CG1 3.82Å; V201-V421 HydrophobicContact CG2-CG1 3.78Å; L404-V421 HydrophobicContact CD1-CG1 4.02Å; V406-V421 HydrophobicContact CG2-CB 4.26Å; V406-V421 HydrophobicContact CG2-CG1 4.39Å; V406-V421 HydrophobicContact CG2-CG2 3.95Å; K417-V421 VanDerWaalsContact O-CG2 3.3Å; K417-V421 WeakPolarHBondContact O-CG2 3.42Å; K417-V421 PolarHBondContact O-N 3.42Å; K418-V421 PolarHBondContact O-N 3.17Å; D419-V421 PolarHBondContact O-N 3.38Å; V421-L425 WeakPolarHBondContact O-CB 3.42Å; V421-L425 PolarHBondContact O-N 3.2Å
422	T	88.1	Confident	89.7	Confident	47 Å²	47	28.7 Å²	28.7	29%	0.288	14%	0.142	S	C	.	.	H	α-helix	trans	-67.2	-45	178.2	-55.6	0	0	0	0	110.9	K418 D419 R420 L425 N426	K418-T422 WeakPolarHBondContact O-CB 3.37Å; K418-T422 PolarHBondContact O-N 3.34Å; K418-T422 PolarHBondContact O-OG1 2.89Å; D419-T422 WeakPolarHBondContact O-CB 3.47Å; D419-T422 PolarHBondContact O-N 3.43Å; D419-T422 VanDerWaalsContact O-N 3.1Å; R420-T422 VanDerWaalsContact C-N 3.28Å; R420-T422 PolarHBondContact O-N 3.12Å; T422-L425 WeakPolarHBondContact O-CB 3.46Å; T422-L425 PolarHBondContact O-N 3.26Å; T422-N426 VanDerWaalsContact O-CG 3.32Å; T422-N426 PolarHBondContact O-N 3.47Å; T422-N426 PolarHBondContact O-ND2 3.18Å
423	D	88.9	Confident	89.8	Confident	25 Å²	25	31.8 Å²	31.8	13%	0.134	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-46.5	176.9	-63.7	-14	0	0	0	110.9	D419 R420 L425 N426 A427	D419-D423 VanDerWaalsContact O-CG 3.31Å; D419-D423 PolarHBondContact O-N 2.91Å; R420-D423 PolarHBondContact O-N 3.16Å; D423-L425 VanDerWaalsContact C-N 3.3Å; D423-L425 PolarHBondContact O-N 3.48Å; D423-N426 PolarHBondContact O-N 3.06Å; D423-A427 WeakPolarHBondContact O-CB 3.44Å; D423-A427 PolarHBondContact O-N 3.45Å
424	A	92.8	Very high	90	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-35.8	176.5	0	0	0	0	0	113.2	A172 A176 I182 I186 R420 T428	A172-A424 HydrophobicContact CB-CB 4.43Å; A172-A424 WeakPolarHBondContact O-CB 3.37Å; A176-A424 HydrophobicContact CB-CB 3.95Å; I182-A424 HydrophobicContact CG2-CB 4.23Å; I186-A424 HydrophobicContact CD1-CB 3.52Å; R420-A424 WeakPolarHBondContact O-CB 3.49Å; R420-A424 PolarHBondContact O-N 3.35Å; A424-T428 WeakPolarHBondContact O-CG2 3.35Å; A424-T428 PolarHBondContact O-N 3.06Å; A424-T428 PolarHBondContact O-OG1 2.85Å
425	L	90.1	Very high	90.3	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-41.2	175.1	179.3	65.5	0	0	0	111.9	I186 M190 I199 V201 V421 T422 D423 T428 R429	I186-L425 HydrophobicContact CG2-CD1 4.43Å; M190-L425 HydrophobicContact CE-CD1 4.24Å; I199-L425 HydrophobicContact CB-CD1 3.7Å; I199-L425 HydrophobicContact CB-CD2 3.95Å; I199-L425 HydrophobicContact CB-CG 4.48Å; I199-L425 HydrophobicContact CD1-CD1 3.65Å; I199-L425 HydrophobicContact CG1-CD1 4.18Å; I199-L425 HydrophobicContact CG2-CD1 3.83Å; I199-L425 HydrophobicContact CG2-CD2 3.96Å; V201-L425 HydrophobicContact CG2-CD2 4.21Å; V421-L425 WeakPolarHBondContact O-CB 3.42Å; V421-L425 PolarHBondContact O-N 3.2Å; T422-L425 WeakPolarHBondContact O-CB 3.46Å; T422-L425 PolarHBondContact O-N 3.26Å; D423-L425 VanDerWaalsContact C-N 3.3Å; D423-L425 PolarHBondContact O-N 3.48Å; L425-T428 WeakPolarHBondContact CA-OG1 3.43Å; L425-T428 PolarHBondContact O-OG1 2.94Å; L425-R429 WeakPolarHBondContact O-CG 3.43Å; L425-R429 PolarHBondContact O-N 3.24Å; L425-R429 VanDerWaalsContact O-N 3.15Å
426	N	88.1	Confident	90.9	Very high	42 Å²	42	29.2 Å²	29.2	23%	0.225	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-43	177	-67.3	-29.9	0	0	0	111.3	G110 T422 D423 T428 R429 A430	G110-N426 WeakPolarHBondContact O-CB 3.31Å; G110-N426 PolarHBondContact O-ND2 3.36Å; T422-N426 VanDerWaalsContact O-CG 3.32Å; T422-N426 PolarHBondContact O-N 3.47Å; T422-N426 PolarHBondContact O-ND2 3.18Å; D423-N426 PolarHBondContact O-N 3.06Å; N426-T428 PolarHBondContact O-N 3.42Å; N426-R429 PolarHBondContact O-N 3.41Å; N426-A430 WeakPolarHBondContact O-CB 2.85Å; N426-A430 PolarHBondContact O-N 3.22Å
427	A	92.4	Very high	91.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.7	0	0	0	0	0	112.3	D111 V171 S175 D423 A430 A431 P521	D111-A427 HydrophobicContact CB-CB 4.33Å; V171-A427 HydrophobicContact CG1-CB 4.13Å; S175-A427 WeakPolarHBondContact OG-CB 3.39Å; D423-A427 WeakPolarHBondContact O-CB 3.44Å; D423-A427 PolarHBondContact O-N 3.45Å; A427-A430 WeakPolarHBondContact O-CB 3.19Å; A427-A430 PolarHBondContact O-N 2.9Å; A427-A431 WeakPolarHBondContact O-CB 3.49Å; A427-A431 PolarHBondContact O-N 3.31Å; A427-P521 HydrophobicContact CB-CG 3.94Å; A427-P521 WeakPolarHBondContact O-CG 3.34Å
428	T	92.6	Very high	91.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-39.1	176.3	43.6	0	0	0	0	112.9	I168 V171 A172 I186 M190 A424 L425 N426 A431 V432	I168-T428 HydrophobicContact CG2-CG2 3.93Å; I168-T428 WeakPolarHBondContact O-CG2 3.39Å; V171-T428 HydrophobicContact CB-CG2 4.19Å; V171-T428 HydrophobicContact CG1-CG2 4.02Å; A172-T428 HydrophobicContact CB-CG2 3.56Å; I186-T428 HydrophobicContact CG2-CG2 4.06Å; M190-T428 WeakPolarHBondContact CE-OG1 3.31Å; A424-T428 WeakPolarHBondContact O-CG2 3.35Å; A424-T428 PolarHBondContact O-N 3.06Å; A424-T428 PolarHBondContact O-OG1 2.85Å; L425-T428 WeakPolarHBondContact CA-OG1 3.43Å; L425-T428 PolarHBondContact O-OG1 2.94Å; N426-T428 PolarHBondContact O-N 3.42Å; T428-A431 PolarHBondContact O-N 2.9Å; T428-V432 WeakPolarHBondContact O-CG2 3.37Å; T428-V432 PolarHBondContact O-N 2.56Å
429	R	88.6	Confident	91.8	Very high	66 Å²	66	26 Å²	26	25%	0.249	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-47.6	172.4	-74.8	177.4	174.8	154	5.8	111.5	M190 I199 L425 N426 A431 V432 E433	M190-R429 HydrophobicContact CE-CG 4.07Å; I199-R429 PolarHBondContact O-NH2 2.86Å; L425-R429 WeakPolarHBondContact O-CG 3.43Å; L425-R429 PolarHBondContact O-N 3.24Å; L425-R429 VanDerWaalsContact O-N 3.15Å; N426-R429 PolarHBondContact O-N 3.41Å; R429-A431 VanDerWaalsContact C-N 3.27Å; R429-A431 PolarHBondContact O-N 2.8Å; R429-V432 PolarHBondContact O-N 2.63Å; R429-E433 WeakPolarHBondContact O-CG 3.35Å; R429-E433 PolarHBondContact O-N 3.4Å; R429-E433 VanDerWaalsContact O-N 3.09Å
430	A	90.8	Very high	92.2	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-38.1	176.8	0	0	0	0	0	112.6	N426 A427 E433 E434 P521 K523 V524	N426-A430 WeakPolarHBondContact O-CB 2.85Å; N426-A430 PolarHBondContact O-N 3.22Å; A427-A430 WeakPolarHBondContact O-CB 3.19Å; A427-A430 PolarHBondContact O-N 2.9Å; A430-E433 PolarHBondContact O-N 3.23Å; A430-E434 PolarHBondContact O-N 3.39Å; A430-E434 VanDerWaalsContact O-N 3.08Å; A430-P521 HydrophobicContact CB-CB 3.88Å; A430-P521 HydrophobicContact CB-CG 4.44Å; A430-K523 HydrophobicContact CB-CB 4.11Å; A430-K523 HydrophobicContact CB-CD 4.06Å; A430-V524 HydrophobicContact CB-CG2 4.06Å
431	A	93.6	Very high	92.5	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-69.2	-38.2	178	0	0	0	0	0	112.6	V162 V171 A427 T428 R429 E433 G435 I436 P521	V162-A431 HydrophobicContact CG2-CB 3.98Å; V162-A431 WeakPolarHBondContact CG2-O 3.39Å; V171-A431 HydrophobicContact CG1-CB 4Å; V171-A431 HydrophobicContact CG2-CB 4.05Å; A427-A431 WeakPolarHBondContact O-CB 3.49Å; A427-A431 PolarHBondContact O-N 3.31Å; T428-A431 PolarHBondContact O-N 2.9Å; R429-A431 VanDerWaalsContact C-N 3.27Å; R429-A431 PolarHBondContact O-N 2.8Å; A431-E433 VanDerWaalsContact C-N 3.29Å; A431-E433 PolarHBondContact O-N 3.16Å; A431-G435 CarbonylContact O-C 3.29Å; A431-G435 WeakPolarHBondContact O-CA 3.34Å; A431-G435 PolarHBondContact O-N 3.32Å; A431-I436 HydrophobicContact CB-CG2 3.7Å; A431-P521 HydrophobicContact CB-CB 4.06Å; A431-P521 HydrophobicContact CB-CG 4.12Å
432	V	90.9	Very high	92.8	Very high	38 Å²	38	23.3 Å²	23.3	23%	0.23	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-34.5	174	167.1	0	0	0	0	111.5	I168 R195 T428 R429	I168-V432 HydrophobicContact CD1-CG2 4.42Å; R195-V432 HydrophobicContact CB-CG1 3.94Å; T428-V432 WeakPolarHBondContact O-CG2 3.37Å; T428-V432 PolarHBondContact O-N 2.56Å; R429-V432 PolarHBondContact O-N 2.63Å
433	E	88.1	Confident	93.2	Very high	121 Å²	121	21.2 Å²	21.2	57%	0.565	11%	0.112	S	C	*	.	H	α-helix	trans	-77.1	-53.6	-177.5	-73.2	174	-170.8	0	0	114	R429 A430 A431 K523	R429-E433 WeakPolarHBondContact O-CG 3.35Å; R429-E433 PolarHBondContact O-N 3.4Å; R429-E433 VanDerWaalsContact O-N 3.09Å; A430-E433 PolarHBondContact O-N 3.23Å; A431-E433 VanDerWaalsContact C-N 3.29Å; A431-E433 PolarHBondContact O-N 3.16Å; E433-K523 IonicContact OE2-NZ 2.73Å; E433-K523 PolarHBondContact OE2-NZ 2.91Å
434	E	92.4	Very high	93.6	Very high	59 Å²	59	20.1 Å²	20.1	28%	0.276	11%	0.107	S	C	.	.	H	α-helix	trans	-113.9	0.9	-172.4	-65.9	-168.3	-152.3	0	0	114	S159 A430 K523 R526	S159-E434 PolarHBondContact OG-O 3.03Å; A430-E434 PolarHBondContact O-N 3.39Å; A430-E434 VanDerWaalsContact O-N 3.08Å; E434-K523 HydrophobicContact CB-CB 4Å; E434-K523 HydrophobicContact CG-CB 3.98Å; E434-K523 HydrophobicContact CG-CG 4.46Å; E434-K523 WeakPolarHBondContact OE1-CG 3.36Å; E434-R526 IonicContact OE1-CZ 3.34Å; E434-R526 IonicContact OE1-NE 2.76Å; E434-R526 IonicContact OE1-NH2 2.99Å; E434-R526 PolarHBondContact OE1-NH2 3.23Å; E434-R526 IonicContact OE2-CZ 3.99Å; E434-R526 IonicContact OE2-NE 3.9Å; E434-R526 PolarHBondContact OE2-NE 3.5Å; E434-R526 IonicContact OE2-NH2 2.77Å
435	G	95.4	Very high	93.9	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.031	11%	0.107	C	C	.	.			trans	84.8	-170	-176.8	0	0	0	0	0	113.9	K160 A431 T522	K160-G435 CarbonylContact O-C 3.57Å; K160-G435 VanDerWaalsContact O-CA 3.24Å; K160-G435 WeakPolarHBondContact O-CA 3.4Å; A431-G435 CarbonylContact O-C 3.29Å; A431-G435 WeakPolarHBondContact O-CA 3.34Å; A431-G435 PolarHBondContact O-N 3.32Å; G435-T522 PolarHBondContact O-N 3.07Å; G435-T522 PolarHBondContact O-OG1 2.94Å
436	I	96.4	Very high	94.2	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.051	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.7	-174.2	52.1	167.9	0	0	0	111.8	S159 K160 V162 E167 V171 A431 I519 D520	S159-I436 WeakPolarHBondContact CA-O 3.3Å; K160-I436 HydrophobicContact CB-CG1 4.46Å; K160-I436 PolarHBondContact N-O 2.92Å; K160-I436 VanDerWaalsContact O-CG1 3.28Å; K160-I436 WeakPolarHBondContact O-CG1 3.46Å; K160-I436 PolarHBondContact O-N 3.04Å; V162-I436 HydrophobicContact CG2-CB 4.36Å; V162-I436 HydrophobicContact CG2-CD1 4.3Å; V162-I436 HydrophobicContact CG2-CG1 4.05Å; V162-I436 HydrophobicContact CG2-CG2 3.51Å; E167-I436 HydrophobicContact CG-CD1 4.41Å; V171-I436 HydrophobicContact CG2-CG2 3.7Å; A431-I436 HydrophobicContact CB-CG2 3.7Å; I436-I519 HydrophobicContact CB-CB 4.48Å; I436-I519 HydrophobicContact CD1-CB 4.47Å; I436-I519 HydrophobicContact CD1-CD1 3.52Å; I436-I519 HydrophobicContact CD1-CG2 4.44Å; I436-I519 HydrophobicContact CG2-CD1 4.38Å; I436-D520 WeakPolarHBondContact CA-O 3.19Å
437	V	96.9	Very high	94.7	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.036	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	172.5	174.6	-75.2	0	0	0	0	110.8	L158 G439 A443 I519 D520 T522 V525	L158-V437 HydrophobicContact CB-CG1 4.32Å; V437-G439 PolarHBondContact O-N 2.91Å; V437-A443 HydrophobicContact CB-CB 3.82Å; V437-A443 HydrophobicContact CG2-CB 3.68Å; V437-I519 WeakPolarHBondContact O-CA 3.37Å; V437-D520 WeakPolarHBondContact CG2-O 3.43Å; V437-D520 PolarHBondContact N-O 3.35Å; V437-D520 PolarHBondContact O-N 3.34Å; V437-T522 HydrophobicContact CG1-CG2 4.41Å; V437-T522 WeakPolarHBondContact CG1-OG1 3.29Å; V437-V525 HydrophobicContact CG2-CG2 4.04Å
438	L	96.7	Very high	94.9	Very high	31 Å²	31	20.4 Å²	20.4	16%	0.162	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	124.8	177	-55.8	172.2	0	0	0	110.9	C442 A443 R446 S499 M513 V514	L438-C442 HydrophobicContact CB-CB 3.9Å; L438-A443 VanDerWaalsContact O-CB 3.24Å; L438-A443 WeakPolarHBondContact O-CB 2.99Å; L438-A443 PolarHBondContact O-N 3.16Å; L438-A443 VanDerWaalsContact O-N 3.11Å; L438-R446 HydrophobicContact CD1-CG 4.19Å; L438-S499 WeakPolarHBondContact CD1-O 3.36Å; L438-M513 HydrophobicContact CD2-CB 3.95Å; L438-V514 HydrophobicContact CD2-CG2 3.53Å
439	G	96.1	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-169.6	-176.8	0	0	0	0	0	114.5	V437 G441 C442 M513 I518 D520	V437-G439 PolarHBondContact O-N 2.91Å; G439-G441 PolarHBondContact O-N 3.16Å; G439-C442 VanDerWaalsContact O-CB 3.29Å; G439-C442 WeakPolarHBondContact O-CB 3.08Å; G439-C442 PolarHBondContact O-N 2.96Å; G439-C442 PolarHBondContact O-SG 2.97Å; G439-M513 WeakPolarHBondContact O-CE 3.44Å; G439-I518 WeakPolarHBondContact CA-O 3.3Å; G439-I518 PolarHBondContact N-O 3.29Å; G439-D520 VanDerWaalsContact CA-CG 3.46Å; G439-D520 WeakPolarHBondContact CA-OD2 3.31Å
440	G	95.3	Very high	95.4	Very high	20 Å²	20	21.7 Å²	21.7	21%	0.206	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	23	172.8	0	0	0	0	0	114.2	C442 D520	G440-C442 PolarHBondContact O-N 3.35Å; G440-D520 PolarHBondContact N-OD2 3.3Å
441	G	96.6	Very high	95.6	Very high	9 Å²	9	21.7 Å²	21.7	9%	0.093	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.5	-174.2	0	0	0	0	0	114.7	G439 A443 L444 L445	G439-G441 PolarHBondContact O-N 3.16Å; G441-A443 PolarHBondContact O-N 3.37Å; G441-L444 PolarHBondContact O-N 2.85Å; G441-L445 PolarHBondContact O-N 3.18Å
442	C	97.4	Very high	95.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-39	-179.6	-66	0	0	0	0	111.9	L438 G439 G440 L444 L445 R446	L438-C442 HydrophobicContact CB-CB 3.9Å; G439-C442 VanDerWaalsContact O-CB 3.29Å; G439-C442 WeakPolarHBondContact O-CB 3.08Å; G439-C442 PolarHBondContact O-N 2.96Å; G439-C442 PolarHBondContact O-SG 2.97Å; G440-C442 PolarHBondContact O-N 3.35Å; C442-L444 VanDerWaalsContact C-N 3.29Å; C442-L444 PolarHBondContact O-N 3.17Å; C442-L445 WeakPolarHBondContact O-CB 3.27Å; C442-L445 PolarHBondContact O-N 3.13Å; C442-L445 VanDerWaalsContact O-N 3.11Å; C442-R446 WeakPolarHBondContact O-CG 3.38Å; C442-R446 PolarHBondContact O-N 3.04Å
443	A	97.4	Very high	95.6	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-52.2	-46.9	177	0	0	0	0	0	112.6	L155 V437 L438 G441 R446 C447	L155-A443 HydrophobicContact CD2-CB 3.78Å; V437-A443 HydrophobicContact CB-CB 3.82Å; V437-A443 HydrophobicContact CG2-CB 3.68Å; L438-A443 VanDerWaalsContact O-CB 3.24Å; L438-A443 WeakPolarHBondContact O-CB 2.99Å; L438-A443 PolarHBondContact O-N 3.16Å; L438-A443 VanDerWaalsContact O-N 3.11Å; G441-A443 PolarHBondContact O-N 3.37Å; A443-R446 PolarHBondContact O-N 3.48Å; A443-C447 PolarHBondContact O-N 3.06Å; A443-C447 PolarHBondContact O-SG 3.46Å
444	L	98.1	Very high	95.9	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-39.3	178.8	-65.6	173.2	0	0	0	112.3	L119 V151 L155 G441 C442 R446 C447 L472 P475 V525 L529	L119-L444 HydrophobicContact CD1-CD1 4.36Å; V151-L444 HydrophobicContact CG1-CD2 4.48Å; L155-L444 HydrophobicContact CD1-CD2 4.26Å; G441-L444 PolarHBondContact O-N 2.85Å; C442-L444 VanDerWaalsContact C-N 3.29Å; C442-L444 PolarHBondContact O-N 3.17Å; L444-R446 VanDerWaalsContact C-N 3.33Å; L444-R446 PolarHBondContact O-N 3.21Å; L444-C447 PolarHBondContact O-N 3.43Å; L444-L472 HydrophobicContact CB-CB 4.35Å; L444-L472 HydrophobicContact CB-CD2 3.92Å; L444-L472 HydrophobicContact CD2-CD2 3.72Å; L444-L472 HydrophobicContact CG-CD2 4.3Å; L444-P475 HydrophobicContact CD1-CG 3.8Å; L444-V525 HydrophobicContact CD1-CG1 4.38Å; L444-V525 HydrophobicContact CD2-CG1 3.63Å; L444-V525 HydrophobicContact CG-CG1 3.83Å; L444-L529 HydrophobicContact CD2-CD2 4.19Å
445	L	98.1	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-40.8	175.1	-69.3	178.4	0	0	0	112	G441 C442 C447 I448 R473 A476 V491 I494 L495	G441-L445 PolarHBondContact O-N 3.18Å; C442-L445 WeakPolarHBondContact O-CB 3.27Å; C442-L445 PolarHBondContact O-N 3.13Å; C442-L445 VanDerWaalsContact O-N 3.11Å; L445-C447 PolarHBondContact O-N 2.98Å; L445-I448 HydrophobicContact CD2-CD1 3.88Å; L445-I448 WeakPolarHBondContact O-CB 3.15Å; L445-I448 WeakPolarHBondContact O-CG1 3.41Å; L445-I448 PolarHBondContact O-N 3.38Å; L445-I448 VanDerWaalsContact O-N 3.17Å; L445-R473 HydrophobicContact CD2-CB 4.19Å; L445-R473 HydrophobicContact CD2-CG 3.85Å; L445-A476 HydrophobicContact CD1-CB 3.88Å; L445-A476 HydrophobicContact CG-CB 4.48Å; L445-V491 HydrophobicContact CD1-CG1 4.15Å; L445-V491 HydrophobicContact CD1-CG2 4.26Å; L445-V491 HydrophobicContact CD2-CG1 3.67Å; L445-I494 HydrophobicContact CD1-CB 4.21Å; L445-I494 HydrophobicContact CD1-CD1 4.24Å; L445-I494 HydrophobicContact CD1-CG2 3.84Å; L445-L495 HydrophobicContact CB-CD2 4Å; L445-L495 HydrophobicContact CD2-CD2 4.4Å
446	R	97	Very high	96.1	Very high	40 Å²	40	34.9 Å²	34.9	15%	0.151	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-16.7	179	-63.3	-53	176.8	-151.9	-8.7	113.4	L158 L438 C442 A443 L444 P449 I494 A498 S499 M501	L158-R446 HydrophobicContact CD1-CB 4.01Å; L438-R446 HydrophobicContact CD1-CG 4.19Å; C442-R446 WeakPolarHBondContact O-CG 3.38Å; C442-R446 PolarHBondContact O-N 3.04Å; A443-R446 PolarHBondContact O-N 3.48Å; L444-R446 VanDerWaalsContact C-N 3.33Å; L444-R446 PolarHBondContact O-N 3.21Å; R446-P449 WeakPolarHBondContact O-CD 3.32Å; R446-I494 VanDerWaalsContact CZ-O 3.28Å; R446-I494 PolarHBondContact NH1-O 2.93Å; R446-I494 PolarHBondContact NH2-O 3.37Å; R446-A498 PolarHBondContact NH2-O 2.88Å; R446-S499 PolarHBondContact NE-O 3.2Å; R446-M501 PolarHBondContact NH2-O 3.41Å
447	C	97.1	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.8	173.7	-62.1	0	0	0	0	114	V151 E154 A443 L444 L445 A450	V151-C447 HydrophobicContact CB-CB 4.36Å; V151-C447 HydrophobicContact CG1-CB 3.76Å; V151-C447 HydrophobicContact CG2-CB 4.23Å; E154-C447 HydrophobicContact CB-CB 4.45Å; A443-C447 PolarHBondContact O-N 3.06Å; A443-C447 PolarHBondContact O-SG 3.46Å; L444-C447 PolarHBondContact O-N 3.43Å; L445-C447 PolarHBondContact O-N 2.98Å; C447-A450 WeakPolarHBondContact O-CB 3.35Å; C447-A450 PolarHBondContact O-N 2.81Å; C447-A450 VanDerWaalsContact O-N 3.13Å
448	I	96.9	Very high	95.9	Very high	13 Å²	13	41 Å²	41	7%	0.067	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-54.8	-46	-179.2	-70.6	170.7	0	0	0	112.7	L445 A450 L451 R469 L472 R473 L495	L445-I448 HydrophobicContact CD2-CD1 3.88Å; L445-I448 WeakPolarHBondContact O-CB 3.15Å; L445-I448 WeakPolarHBondContact O-CG1 3.41Å; L445-I448 PolarHBondContact O-N 3.38Å; L445-I448 VanDerWaalsContact O-N 3.17Å; I448-A450 PolarHBondContact O-N 3.18Å; I448-L451 WeakPolarHBondContact O-CB 3.41Å; I448-L451 PolarHBondContact O-N 2.78Å; I448-R469 HydrophobicContact CG2-CG 4Å; I448-L472 HydrophobicContact CD1-CB 4.31Å; I448-L472 HydrophobicContact CG1-CB 4.05Å; I448-L472 HydrophobicContact CG1-CD1 3.82Å; I448-R473 HydrophobicContact CD1-CG 3.92Å; I448-L495 HydrophobicContact CD1-CD2 4.3Å
449	P	95.9	Very high	95.9	Very high	77 Å²	77	43.5 Å²	43.5	50%	0.5	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-60	-27.2	179.9	-25.5	36.2	0	0	0	114.2	R446 L451 D452	R446-P449 WeakPolarHBondContact O-CD 3.32Å; P449-L451 PolarHBondContact O-N 3.05Å; P449-D452 WeakPolarHBondContact O-CB 3.27Å; P449-D452 PolarHBondContact O-N 3.02Å; P449-D452 VanDerWaalsContact O-N 3.14Å
450	A	95.8	Very high	95.9	Very high	17 Å²	17	44.9 Å²	44.9	14%	0.14	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.8	-30.6	177.4	0	0	0	0	0	111.8	T150 E154 C447 I448 D452 T453	T150-A450 HydrophobicContact CG2-CB 4.15Å; E154-A450 HydrophobicContact CB-CB 4.19Å; E154-A450 HydrophobicContact CG-CB 4.04Å; C447-A450 WeakPolarHBondContact O-CB 3.35Å; C447-A450 PolarHBondContact O-N 2.81Å; C447-A450 VanDerWaalsContact O-N 3.13Å; I448-A450 PolarHBondContact O-N 3.18Å; A450-D452 VanDerWaalsContact C-N 3.27Å; A450-D452 PolarHBondContact O-N 3.34Å; A450-T453 PolarHBondContact O-N 3.41Å; A450-T453 PolarHBondContact O-OG1 3.27Å
451	L	96.2	Very high	96	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.7	-19.3	178.2	-60.8	179.7	0	0	0	113.5	A147 T150 V151 I448 P449 T453 L454 V465 I468 R469 L472	A147-L451 HydrophobicContact CB-CD2 3.72Å; T150-L451 HydrophobicContact CG2-CD2 4.4Å; V151-L451 HydrophobicContact CG2-CD1 4.35Å; V151-L451 HydrophobicContact CG2-CD2 3.87Å; V151-L451 HydrophobicContact CG2-CG 4.21Å; I448-L451 WeakPolarHBondContact O-CB 3.41Å; I448-L451 PolarHBondContact O-N 2.78Å; P449-L451 PolarHBondContact O-N 3.05Å; L451-T453 VanDerWaalsContact C-N 3.26Å; L451-T453 PolarHBondContact O-N 2.93Å; L451-L454 HydrophobicContact CD2-CD2 4.43Å; L451-L454 WeakPolarHBondContact O-CB 3.23Å; L451-L454 PolarHBondContact O-N 2.86Å; L451-V465 HydrophobicContact CB-CG1 4.08Å; L451-V465 HydrophobicContact CD2-CG1 4.39Å; L451-I468 HydrophobicContact CD1-CG2 4.03Å; L451-R469 HydrophobicContact CD1-CB 4.04Å; L451-R469 PolarHBondContact O-NH2 3.43Å; L451-L472 HydrophobicContact CD1-CD1 3.92Å
452	D	93.1	Very high	96	Very high	107 Å²	107	50.1 Å²	50.1	57%	0.572	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-75.2	-20.7	-178.3	-62.1	-24.2	0	0	0	112.3	P449 A450 R469	P449-D452 WeakPolarHBondContact O-CB 3.27Å; P449-D452 PolarHBondContact O-N 3.02Å; P449-D452 VanDerWaalsContact O-N 3.14Å; A450-D452 VanDerWaalsContact C-N 3.27Å; A450-D452 PolarHBondContact O-N 3.34Å; D452-R469 IonicContact OD1-CZ 3.79Å; D452-R469 IonicContact OD1-NE 3.8Å; D452-R469 PolarHBondContact OD1-NE 3.02Å; D452-R469 IonicContact OD1-NH2 3.62Å; D452-R469 PolarHBondContact OD1-NH2 3.09Å
453	T	91.8	Very high	95.9	Very high	116 Å²	116	51.9 Å²	51.9	71%	0.712	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-90	-8.3	175.7	67.4	0	0	0	0	113.3	A450 L451 K455	A450-T453 PolarHBondContact O-N 3.41Å; A450-T453 PolarHBondContact O-OG1 3.27Å; L451-T453 VanDerWaalsContact C-N 3.26Å; L451-T453 PolarHBondContact O-N 2.93Å; T453-K455 PolarHBondContact O-N 3.03Å
454	L	94.1	Very high	95.9	Very high	42 Å²	42	51.8 Å²	51.8	22%	0.22	29%	0.289	C	S	.	.			trans	-74.7	117.9	-174.6	-172.9	61.3	0	0	0	110.8	M146 A147 L451 V465	M146-L454 HydrophobicContact CB-CD2 4.34Å; M146-L454 HydrophobicContact CE-CD1 4.43Å; A147-L454 HydrophobicContact CB-CD2 4.29Å; L451-L454 HydrophobicContact CD2-CD2 4.43Å; L451-L454 WeakPolarHBondContact O-CB 3.23Å; L451-L454 PolarHBondContact O-N 2.86Å; L454-V465 HydrophobicContact CD2-CG1 4.29Å; L454-V465 HydrophobicContact CD2-CG2 3.68Å; L454-V465 HydrophobicContact CG-CG2 4.49Å
455	K	94.2	Very high	95.9	Very high	191 Å²	191	51.8 Å²	51.8	83%	0.83	29%	0.289	S	S	*	.			trans	-85.5	126	177.1	-65.2	-177.5	-178.6	178.1	0	110.4	T453	T453-K455 PolarHBondContact O-N 3.03Å
456	T	96.1	Very high	95.8	Very high	44 Å²	44	54.3 Å²	54.3	27%	0.27	30%	0.302	S	S	.	.			trans	-104.5	144.9	177.5	57.3	0	0	0	0	111	Q461 K462 V465	T456-Q461 HydrophobicContact CG2-CB 4.08Å; T456-K462 HydrophobicContact CG2-CB 4.39Å; T456-V465 HydrophobicContact CG2-CG2 3.68Å
457	A	95.7	Very high	95.9	Very high	87 Å²	87	52.5 Å²	52.5	72%	0.719	30%	0.296	S	S	*	.	S	Bend	trans	-75.3	-27.9	-178.7	0	0	0	0	0	113
458	N	95.4	Very high	95.9	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	30%	0.296	S	S	.	.	S	Bend	trans	-149	175.6	-178	59.3	47.2	0	0	0	111.5	E139 D460 Q461 K462	E139-N458 PolarHBondContact OE2-ND2 3.31Å; N458-D460 PolarHBondContact OD1-N 3.35Å; N458-Q461 WeakPolarHBondContact OD1-CG 3.47Å; N458-Q461 PolarHBondContact OD1-N 3.41Å; N458-K462 PolarHBondContact O-N 3.4Å
459	S	95.3	Very high	95.9	Very high	84 Å²	84	54.2 Å²	54.2	59%	0.587	30%	0.302	S	S	*	.	H	α-helix	trans	-65.9	-33.4	-179.4	50.9	0	0	0	0	113.5	K462 I463	S459-K462 WeakPolarHBondContact O-CB 3.4Å; S459-K462 PolarHBondContact O-N 2.82Å; S459-I463 WeakPolarHBondContact O-CG1 3.31Å; S459-I463 PolarHBondContact O-N 2.79Å
460	D	96.1	Very high	96	Very high	30 Å²	30	56.8 Å²	56.8	16%	0.16	30%	0.301	C	S	.	.	H	α-helix	trans	-70.9	-38.5	-178.8	-68.2	-29.9	0	0	0	111.7	A135 N136 E139 I140 N458 K462 I463 G464	A135-D460 WeakPolarHBondContact CB-OD1 3.27Å; N136-D460 WeakPolarHBondContact CB-OD2 3.35Å; N136-D460 PolarHBondContact N-OD2 3.45Å; E139-D460 HydrophobicContact CB-CB 3.49Å; E139-D460 VanDerWaalsContact CB-CB 3.49Å; I140-D460 HydrophobicContact CG1-CB 4.22Å; I140-D460 WeakPolarHBondContact CG1-O 3.36Å; N458-D460 PolarHBondContact OD1-N 3.35Å; D460-K462 VanDerWaalsContact C-N 3.29Å; D460-K462 PolarHBondContact O-N 3.14Å; D460-I463 WeakPolarHBondContact O-CB 3.45Å; D460-I463 PolarHBondContact O-N 3.19Å; D460-G464 PolarHBondContact O-N 3.33Å
461	Q	97.2	Very high	96.1	Very high	17 Å²	17	56 Å²	56	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-38.8	170.8	-73	177.2	12.8	0	0	111.3	E139 R142 G143 T456 N458 I463 G464 V465	E139-Q461 WeakPolarHBondContact O-CG 3.34Å; E139-Q461 PolarHBondContact OE2-NE2 3.04Å; R142-Q461 HydrophobicContact CB-CG 4.43Å; G143-Q461 WeakPolarHBondContact CA-O 3.38Å; T456-Q461 HydrophobicContact CG2-CB 4.08Å; N458-Q461 WeakPolarHBondContact OD1-CG 3.47Å; N458-Q461 PolarHBondContact OD1-N 3.41Å; Q461-I463 VanDerWaalsContact C-N 3.33Å; Q461-I463 PolarHBondContact O-N 2.95Å; Q461-G464 WeakPolarHBondContact O-CA 3.37Å; Q461-G464 PolarHBondContact O-N 3.47Å; Q461-G464 VanDerWaalsContact O-N 3.07Å; Q461-V465 WeakPolarHBondContact O-CG2 3.37Å; Q461-V465 PolarHBondContact O-N 2.89Å
462	K	96.8	Very high	96.2	Very high	121 Å²	121	55.9 Å²	55.9	53%	0.526	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-42.3	174	-173.1	179.6	177.3	-179.8	0	111.8	T456 N458 S459 D460 G464 V465 D466	T456-K462 HydrophobicContact CG2-CB 4.39Å; N458-K462 PolarHBondContact O-N 3.4Å; S459-K462 WeakPolarHBondContact O-CB 3.4Å; S459-K462 PolarHBondContact O-N 2.82Å; D460-K462 VanDerWaalsContact C-N 3.29Å; D460-K462 PolarHBondContact O-N 3.14Å; K462-G464 VanDerWaalsContact C-N 3.28Å; K462-G464 PolarHBondContact O-N 3.34Å; K462-V465 PolarHBondContact O-N 2.9Å; K462-D466 VanDerWaalsContact O-CG 3.26Å; K462-D466 PolarHBondContact O-N 3.39Å
463	I	96.6	Very high	96.4	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-57.2	-44.9	171.8	-67	168.4	0	0	0	110.2	N130 A135 I140 S459 D460 Q461 V465 D466 I467	N130-I463 HydrophobicContact CB-CG2 3.65Å; A135-I463 HydrophobicContact CB-CD1 3.98Å; I140-I463 HydrophobicContact CD1-CG2 4.07Å; I140-I463 HydrophobicContact CG1-CB 4.3Å; I140-I463 HydrophobicContact CG1-CG2 4.07Å; S459-I463 WeakPolarHBondContact O-CG1 3.31Å; S459-I463 PolarHBondContact O-N 2.79Å; D460-I463 WeakPolarHBondContact O-CB 3.45Å; D460-I463 PolarHBondContact O-N 3.19Å; Q461-I463 VanDerWaalsContact C-N 3.33Å; Q461-I463 PolarHBondContact O-N 2.95Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.44Å; I463-D466 PolarHBondContact O-N 3.09Å; I463-D466 VanDerWaalsContact O-N 3.15Å; I463-I467 HydrophobicContact CG2-CD1 4.13Å; I463-I467 HydrophobicContact CG2-CG1 4.46Å; I463-I467 VanDerWaalsContact O-CG1 3.32Å; I463-I467 WeakPolarHBondContact O-CG1 3.37Å; I463-I467 PolarHBondContact O-N 3.47Å
464	G	96.9	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-42.3	175.5	0	0	0	0	0	114	V144 D460 Q461 K462 I467 I468	V144-G464 WeakPolarHBondContact CG2-O 3.24Å; D460-G464 PolarHBondContact O-N 3.33Å; Q461-G464 WeakPolarHBondContact O-CA 3.37Å; Q461-G464 PolarHBondContact O-N 3.47Å; Q461-G464 VanDerWaalsContact O-N 3.07Å; K462-G464 VanDerWaalsContact C-N 3.28Å; K462-G464 PolarHBondContact O-N 3.34Å; G464-I467 PolarHBondContact O-N 3.36Å; G464-I468 PolarHBondContact O-N 3.44Å
465	V	97.9	Very high	97	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-41.9	174.3	179.2	0	0	0	0	111.2	A147 L451 L454 T456 Q461 K462 I463 I467 I468 R469	A147-V465 HydrophobicContact CB-CB 4.43Å; A147-V465 HydrophobicContact CB-CG1 4.38Å; A147-V465 HydrophobicContact CB-CG2 4.23Å; L451-V465 HydrophobicContact CB-CG1 4.08Å; L451-V465 HydrophobicContact CD2-CG1 4.39Å; L454-V465 HydrophobicContact CD2-CG1 4.29Å; L454-V465 HydrophobicContact CD2-CG2 3.68Å; L454-V465 HydrophobicContact CG-CG2 4.49Å; T456-V465 HydrophobicContact CG2-CG2 3.68Å; Q461-V465 WeakPolarHBondContact O-CG2 3.37Å; Q461-V465 PolarHBondContact O-N 2.89Å; K462-V465 PolarHBondContact O-N 2.9Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.44Å; V465-I467 VanDerWaalsContact C-N 3.33Å; V465-I467 PolarHBondContact O-N 2.9Å; V465-I468 PolarHBondContact O-N 3.08Å; V465-R469 PolarHBondContact O-N 2.95Å
466	D	96.7	Very high	97.1	Very high	52 Å²	52	39.5 Å²	39.5	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-35.3	178.9	-67.2	-17.3	0	0	0	112.4	K462 I463 R469 R470	K462-D466 VanDerWaalsContact O-CG 3.26Å; K462-D466 PolarHBondContact O-N 3.39Å; I463-D466 PolarHBondContact O-N 3.09Å; I463-D466 VanDerWaalsContact O-N 3.15Å; D466-R469 PolarHBondContact O-N 2.91Å; D466-R469 IonicContact OD1-CZ 3.67Å; D466-R469 IonicContact OD1-NH1 2.78Å; D466-R469 PolarHBondContact OD1-NH1 3.26Å; D466-R470 WeakPolarHBondContact O-CG 3.46Å; D466-R470 PolarHBondContact O-N 3.16Å; D466-R470 VanDerWaalsContact O-N 3.09Å
467	I	97.5	Very high	97.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-50.1	172.9	-69.9	168	0	0	0	110.2	I123 E126 I140 V144 I463 G464 V465 R470 A471	I123-I467 HydrophobicContact CB-CG2 4.34Å; I123-I467 HydrophobicContact CG1-CG2 4.36Å; I123-I467 HydrophobicContact CG2-CG2 4.07Å; E126-I467 HydrophobicContact CB-CB 4.44Å; E126-I467 HydrophobicContact CB-CG1 3.98Å; E126-I467 HydrophobicContact CB-CG2 4.02Å; I140-I467 HydrophobicContact CG2-CD1 3.59Å; V144-I467 HydrophobicContact CG2-CB 4.47Å; V144-I467 HydrophobicContact CG2-CG2 4.48Å; I463-I467 HydrophobicContact CG2-CD1 4.13Å; I463-I467 HydrophobicContact CG2-CG1 4.46Å; I463-I467 VanDerWaalsContact O-CG1 3.32Å; I463-I467 WeakPolarHBondContact O-CG1 3.37Å; I463-I467 PolarHBondContact O-N 3.47Å; G464-I467 PolarHBondContact O-N 3.36Å; V465-I467 VanDerWaalsContact C-N 3.33Å; V465-I467 PolarHBondContact O-N 2.9Å; I467-R470 PolarHBondContact O-N 3.28Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 2.87Å
468	I	98.3	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-43.1	177.8	-68.4	-55.3	0	0	0	111	I123 V144 A147 V148 V151 L451 G464 V465 R470 A471 L472 A533	I123-I468 HydrophobicContact CD1-CD1 3.65Å; I123-I468 HydrophobicContact CG1-CD1 4.01Å; V144-I468 HydrophobicContact CB-CG1 4.4Å; V144-I468 HydrophobicContact CG1-CD1 3.85Å; V144-I468 HydrophobicContact CG1-CG1 3.96Å; V144-I468 HydrophobicContact CG2-CG1 4.46Å; A147-I468 HydrophobicContact CB-CB 3.84Å; A147-I468 HydrophobicContact CB-CG1 3.91Å; A147-I468 HydrophobicContact CB-CG2 4Å; V148-I468 HydrophobicContact CG2-CD1 3.91Å; V148-I468 HydrophobicContact CG2-CG1 4.17Å; V151-I468 HydrophobicContact CG2-CG2 4.39Å; L451-I468 HydrophobicContact CD1-CG2 4.03Å; G464-I468 PolarHBondContact O-N 3.44Å; V465-I468 PolarHBondContact O-N 3.08Å; I468-R470 PolarHBondContact O-N 3.35Å; I468-R470 VanDerWaalsContact O-N 3.16Å; I468-A471 PolarHBondContact O-N 2.61Å; I468-L472 HydrophobicContact CG2-CD1 4.08Å; I468-L472 HydrophobicContact CG2-CD2 4.44Å; I468-L472 HydrophobicContact CG2-CG 4.04Å; I468-L472 VanDerWaalsContact O-CG 3.31Å; I468-L472 WeakPolarHBondContact O-CG 3.4Å; I468-L472 PolarHBondContact O-N 2.62Å; I468-A533 HydrophobicContact CD1-CB 4.39Å
469	R	97.3	Very high	97.5	Very high	50 Å²	50	35 Å²	35	19%	0.189	17%	0.168	C	C	.	.	H	α-helix	trans	-54.1	-37.7	177.1	-174.2	-179.4	-68.9	94.5	-7.8	112.6	I448 L451 D452 V465 D466	I448-R469 HydrophobicContact CG2-CG 4Å; L451-R469 HydrophobicContact CD1-CB 4.04Å; L451-R469 PolarHBondContact O-NH2 3.43Å; D452-R469 IonicContact OD1-CZ 3.79Å; D452-R469 IonicContact OD1-NE 3.8Å; D452-R469 PolarHBondContact OD1-NE 3.02Å; D452-R469 IonicContact OD1-NH2 3.62Å; D452-R469 PolarHBondContact OD1-NH2 3.09Å; V465-R469 PolarHBondContact O-N 2.95Å; D466-R469 PolarHBondContact O-N 2.91Å; D466-R469 IonicContact OD1-CZ 3.67Å; D466-R469 IonicContact OD1-NH1 2.78Å; D466-R469 PolarHBondContact OD1-NH1 3.26Å
470	R	96.9	Very high	97.6	Very high	130 Å²	130	31 Å²	31	49%	0.491	14%	0.141	S	C	.	.	H	α-helix	trans	-75.1	-45.5	174.5	-67.5	175.3	-171	-179.4	1.3	111.7	E126 D466 I467 I468 L472 R473	E126-R470 IonicContact OE1-NH1 2.76Å; E126-R470 IonicContact OE2-CZ 3.65Å; E126-R470 IonicContact OE2-NH1 3.7Å; E126-R470 PolarHBondContact OE2-NH1 3.26Å; D466-R470 WeakPolarHBondContact O-CG 3.46Å; D466-R470 PolarHBondContact O-N 3.16Å; D466-R470 VanDerWaalsContact O-N 3.09Å; I467-R470 PolarHBondContact O-N 3.28Å; I468-R470 PolarHBondContact O-N 3.35Å; I468-R470 VanDerWaalsContact O-N 3.16Å; R470-L472 VanDerWaalsContact C-N 3.3Å; R470-L472 PolarHBondContact O-N 3.33Å; R470-R473 WeakPolarHBondContact O-CB 3.38Å; R470-R473 PolarHBondContact O-N 3.28Å; R470-R473 VanDerWaalsContact O-N 3.16Å
471	A	97.9	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-36.7	-177.7	0	0	0	0	0	113.2	L119 A122 I123 I467 I468 R473 I474	L119-A471 HydrophobicContact CD2-CB 4.45Å; L119-A471 WeakPolarHBondContact CD2-O 3.48Å; A122-A471 HydrophobicContact CB-CB 4.17Å; I123-A471 HydrophobicContact CD1-CB 4.42Å; I123-A471 HydrophobicContact CG1-CB 3.73Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 2.87Å; I468-A471 PolarHBondContact O-N 2.61Å; A471-R473 PolarHBondContact O-N 2.92Å; A471-I474 VanDerWaalsContact O-CB 3.3Å; A471-I474 WeakPolarHBondContact O-CB 3.3Å; A471-I474 WeakPolarHBondContact O-CG1 3.25Å; A471-I474 PolarHBondContact O-N 2.97Å
472	L	98.3	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.6	178.8	-67.7	174.1	0	0	0	113.9	V151 L444 I448 L451 I468 R470 L529	V151-L472 HydrophobicContact CG1-CD2 4.1Å; V151-L472 HydrophobicContact CG2-CD1 3.85Å; V151-L472 HydrophobicContact CG2-CD2 4.49Å; L444-L472 HydrophobicContact CB-CB 4.35Å; L444-L472 HydrophobicContact CB-CD2 3.92Å; L444-L472 HydrophobicContact CD2-CD2 3.72Å; L444-L472 HydrophobicContact CG-CD2 4.3Å; I448-L472 HydrophobicContact CD1-CB 4.31Å; I448-L472 HydrophobicContact CG1-CB 4.05Å; I448-L472 HydrophobicContact CG1-CD1 3.82Å; L451-L472 HydrophobicContact CD1-CD1 3.92Å; I468-L472 HydrophobicContact CG2-CD1 4.08Å; I468-L472 HydrophobicContact CG2-CD2 4.44Å; I468-L472 HydrophobicContact CG2-CG 4.04Å; I468-L472 VanDerWaalsContact O-CG 3.31Å; I468-L472 WeakPolarHBondContact O-CG 3.4Å; I468-L472 PolarHBondContact O-N 2.62Å; R470-L472 VanDerWaalsContact C-N 3.3Å; R470-L472 PolarHBondContact O-N 3.33Å; L472-L529 HydrophobicContact CD2-CD1 4.23Å; L472-L529 HydrophobicContact CD2-CD2 4.12Å
473	R	98.3	Very high	97.8	Very high	65 Å²	65	32.3 Å²	32.3	25%	0.245	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.4	178.4	-61.1	166.8	172.5	-105.2	2.5	113.1	L445 I448 R470 A471 M477 V491 E492	L445-R473 HydrophobicContact CD2-CB 4.19Å; L445-R473 HydrophobicContact CD2-CG 3.85Å; I448-R473 HydrophobicContact CD1-CG 3.92Å; R470-R473 WeakPolarHBondContact O-CB 3.38Å; R470-R473 PolarHBondContact O-N 3.28Å; R470-R473 VanDerWaalsContact O-N 3.16Å; A471-R473 PolarHBondContact O-N 2.92Å; R473-M477 HydrophobicContact CB-SD 4.14Å; R473-M477 VanDerWaalsContact O-CG 3.28Å; R473-M477 WeakPolarHBondContact O-CG 3.35Å; R473-M477 PolarHBondContact O-N 2.92Å; R473-M477 VanDerWaalsContact O-N 3.1Å; R473-V491 HydrophobicContact CB-CG1 4.21Å; R473-V491 HydrophobicContact CG-CG1 4.1Å; R473-E492 IonicContact CZ-OE1 3.28Å; R473-E492 IonicContact NH1-OE1 2.96Å; R473-E492 PolarHBondContact NH1-OE1 2.98Å; R473-E492 IonicContact NH2-OE1 2.71Å
474	I	98.4	Very high	97.8	Very high	39 Å²	39	33.8 Å²	33.8	20%	0.2	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-40.5	-166.1	-61.2	-67.3	0	0	0	113.8	V118 A122 A471 M477 T478	V118-I474 HydrophobicContact CB-CG2 4.02Å; V118-I474 HydrophobicContact CG2-CG2 4.08Å; A122-I474 HydrophobicContact CB-CB 4.37Å; A122-I474 HydrophobicContact CB-CD1 4.35Å; A122-I474 HydrophobicContact CB-CG1 3.67Å; A122-I474 HydrophobicContact CB-CG2 4.39Å; A471-I474 VanDerWaalsContact O-CB 3.3Å; A471-I474 WeakPolarHBondContact O-CB 3.3Å; A471-I474 WeakPolarHBondContact O-CG1 3.25Å; A471-I474 PolarHBondContact O-N 2.97Å; I474-M477 HydrophobicContact CD1-SD 4.36Å; I474-M477 PolarHBondContact O-N 3.5Å; I474-T478 WeakPolarHBondContact O-CB 3.34Å; I474-T478 PolarHBondContact O-N 3.21Å; I474-T478 PolarHBondContact O-OG1 3.44Å
475	P	98.4	Very high	97.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-50.3	178.7	-28.5	39.7	0	0	0	112.4	T115 V118 L119 L444 M477 T478 I479	T115-P475 HydrophobicContact CG2-CB 4.33Å; T115-P475 HydrophobicContact CG2-CG 4.03Å; V118-P475 HydrophobicContact CG2-CG 4.46Å; L119-P475 HydrophobicContact CD2-CG 3.89Å; L119-P475 HydrophobicContact CG-CG 4.1Å; L444-P475 HydrophobicContact CD1-CG 3.8Å; P475-M477 PolarHBondContact O-N 3.35Å; P475-T478 PolarHBondContact O-N 2.93Å; P475-T478 VanDerWaalsContact O-N 3.15Å; P475-I479 WeakPolarHBondContact O-CG1 3.41Å; P475-I479 PolarHBondContact O-N 2.96Å
476	A	98.3	Very high	97.7	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-41	177.7	0	0	0	0	0	112.2	L445 T478 I479 A480 V491	L445-A476 HydrophobicContact CD1-CB 3.88Å; L445-A476 HydrophobicContact CG-CB 4.48Å; A476-T478 VanDerWaalsContact C-N 3.33Å; A476-T478 PolarHBondContact O-N 3.29Å; A476-I479 PolarHBondContact O-N 3.47Å; A476-A480 WeakPolarHBondContact O-CB 3.06Å; A476-A480 PolarHBondContact O-N 3.37Å; A476-V491 HydrophobicContact CB-CG2 3.71Å
477	M	98.1	Very high	97.6	Very high	56 Å²	56	40.2 Å²	40.2	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-40.6	174.2	-71.3	177	69.1	0	0	112.3	R473 I474 P475 K481 S488 V491	R473-M477 HydrophobicContact CB-SD 4.14Å; R473-M477 VanDerWaalsContact O-CG 3.28Å; R473-M477 WeakPolarHBondContact O-CG 3.35Å; R473-M477 PolarHBondContact O-N 2.92Å; R473-M477 VanDerWaalsContact O-N 3.1Å; I474-M477 HydrophobicContact CD1-SD 4.36Å; I474-M477 PolarHBondContact O-N 3.5Å; P475-M477 PolarHBondContact O-N 3.35Å; M477-K481 VanDerWaalsContact O-CB 3.25Å; M477-K481 WeakPolarHBondContact O-CB 3.31Å; M477-K481 PolarHBondContact O-N 3.33Å; M477-S488 WeakPolarHBondContact CE-OG 3.48Å; M477-V491 HydrophobicContact CG-CB 4.39Å; M477-V491 HydrophobicContact CG-CG2 3.58Å
478	T	98.4	Very high	97.6	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.08	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-42.9	-178	-55.7	0	0	0	0	110.9	A52 M55 V118 I474 P475 A476 A480 K481 N482	A52-T478 HydrophobicContact CB-CG2 4.16Å; M55-T478 HydrophobicContact CB-CG2 4.11Å; M55-T478 HydrophobicContact CG-CG2 4.44Å; M55-T478 HydrophobicContact SD-CG2 3.7Å; V118-T478 HydrophobicContact CG1-CG2 4.41Å; I474-T478 WeakPolarHBondContact O-CB 3.34Å; I474-T478 PolarHBondContact O-N 3.21Å; I474-T478 PolarHBondContact O-OG1 3.44Å; P475-T478 PolarHBondContact O-N 2.93Å; P475-T478 VanDerWaalsContact O-N 3.15Å; A476-T478 VanDerWaalsContact C-N 3.33Å; A476-T478 PolarHBondContact O-N 3.29Å; T478-A480 PolarHBondContact O-N 3.01Å; T478-K481 PolarHBondContact O-N 3.28Å; T478-N482 PolarHBondContact O-N 2.85Å
479	I	98.2	Very high	97.5	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-49	173.9	-68.7	166.6	0	0	0	110.5	M55 P475 A476 N482 A483 A505	M55-I479 HydrophobicContact CG-CG1 3.68Å; M55-I479 HydrophobicContact SD-CG1 3.85Å; P475-I479 WeakPolarHBondContact O-CG1 3.41Å; P475-I479 PolarHBondContact O-N 2.96Å; A476-I479 PolarHBondContact O-N 3.47Å; I479-N482 PolarHBondContact O-N 3.14Å; I479-A483 PolarHBondContact O-N 2.97Å; I479-A483 VanDerWaalsContact O-N 3.07Å; I479-A505 HydrophobicContact CG2-CB 3.52Å
480	A	98	Very high	97.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-42.5	178.2	0	0	0	0	0	112.4	A476 T478 N482 A483 G484 V485 V490	A476-A480 WeakPolarHBondContact O-CB 3.06Å; A476-A480 PolarHBondContact O-N 3.37Å; T478-A480 PolarHBondContact O-N 3.01Å; A480-N482 PolarHBondContact O-N 3.44Å; A480-A483 CarbonylContact O-C 3.59Å; A480-A483 WeakPolarHBondContact O-CA 3.17Å; A480-A483 WeakPolarHBondContact O-CB 3.45Å; A480-A483 PolarHBondContact O-N 2.91Å; A480-A483 VanDerWaalsContact O-N 3.12Å; A480-G484 PolarHBondContact O-N 2.86Å; A480-V485 CarbonylContact C-O 3.55Å; A480-V485 HydrophobicContact CB-CG2 3.95Å; A480-V485 VanDerWaalsContact O-CG2 3.25Å; A480-V485 WeakPolarHBondContact O-CG2 3.46Å; A480-V485 PolarHBondContact O-N 3.47Å; A480-V485 VanDerWaalsContact O-N 3.17Å; A480-V490 HydrophobicContact CB-CB 4.04Å; A480-V490 HydrophobicContact CB-CG1 4.18Å; A480-V490 HydrophobicContact CB-CG2 4.01Å
481	K	97.9	Very high	97.5	Very high	158 Å²	158	39.7 Å²	39.7	69%	0.687	22%	0.222	S	C	*	.	H	α-helix	trans	-60.5	-43.9	175.8	-176.5	-178.3	179.1	-175.6	0	111.7	M477 T478 A483 G484	M477-K481 VanDerWaalsContact O-CB 3.25Å; M477-K481 WeakPolarHBondContact O-CB 3.31Å; M477-K481 PolarHBondContact O-N 3.33Å; T478-K481 PolarHBondContact O-N 3.28Å; K481-A483 PolarHBondContact O-N 2.97Å; K481-G484 PolarHBondContact O-N 3.14Å
482	N	97.8	Very high	97.5	Very high	18 Å²	18	43.6 Å²	43.6	10%	0.096	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-29.6	177	-74.2	-11.6	0	0	0	112.2	A52 M55 T478 I479 A480 G484	A52-N482 PolarHBondContact O-ND2 3.48Å; M55-N482 PolarHBondContact O-ND2 3.29Å; T478-N482 PolarHBondContact O-N 2.85Å; I479-N482 PolarHBondContact O-N 3.14Å; A480-N482 PolarHBondContact O-N 3.44Å; N482-G484 PolarHBondContact O-N 3.08Å
483	A	97.2	Very high	97.4	Very high	19 Å²	19	48.3 Å²	48.3	16%	0.157	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.1	171.4	0	0	0	0	0	114.4	K58 I479 A480 K481 A505	K58-A483 HydrophobicContact CB-CB 4.38Å; K58-A483 HydrophobicContact CD-CB 3.82Å; I479-A483 PolarHBondContact O-N 2.97Å; I479-A483 VanDerWaalsContact O-N 3.07Å; A480-A483 CarbonylContact O-C 3.59Å; A480-A483 WeakPolarHBondContact O-CA 3.17Å; A480-A483 WeakPolarHBondContact O-CB 3.45Å; A480-A483 PolarHBondContact O-N 2.91Å; A480-A483 VanDerWaalsContact O-N 3.12Å; K481-A483 PolarHBondContact O-N 2.97Å; A483-A505 HydrophobicContact CB-CB 4.13Å
484	G	96.6	Very high	97.3	Very high	70 Å²	70	45.3 Å²	45.3	72%	0.722	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	18.2	177.1	0	0	0	0	0	114.6	A480 K481 N482	A480-G484 PolarHBondContact O-N 2.86Å; K481-G484 PolarHBondContact O-N 3.14Å; N482-G484 PolarHBondContact O-N 3.08Å
485	V	97	Very high	97.2	Very high	57 Å²	57	45.7 Å²	45.7	35%	0.345	25%	0.251	S	S	.	.	S	Bend	trans	-117.5	162.8	178.9	-60.6	0	0	0	0	111.8	A480 G487 V490 Y503	A480-V485 CarbonylContact C-O 3.55Å; A480-V485 HydrophobicContact CB-CG2 3.95Å; A480-V485 VanDerWaalsContact O-CG2 3.25Å; A480-V485 WeakPolarHBondContact O-CG2 3.46Å; A480-V485 PolarHBondContact O-N 3.47Å; A480-V485 VanDerWaalsContact O-N 3.17Å; V485-G487 PolarHBondContact O-N 2.98Å; V485-G487 VanDerWaalsContact O-N 3.08Å; V485-V490 HydrophobicContact CG2-CG2 3.94Å; V485-Y503 HydrophobicContact CG2-CE1 4.12Å
486	E	96.3	Very high	97.1	Very high	127 Å²	127	53 Å²	53	59%	0.593	29%	0.286	S	S	*	.			trans	-71.7	102	-178.5	-175.6	53.3	-132.9	0	0	111.3	S488 L489 V490	E486-S488 VanDerWaalsContact C-N 3.3Å; E486-S488 PolarHBondContact O-N 2.88Å; E486-S488 PolarHBondContact OE1-OG 3.43Å; E486-L489 HydrophobicContact CB-CB 4.33Å; E486-L489 HydrophobicContact CG-CB 4.18Å; E486-L489 PolarHBondContact O-N 3.42Å; E486-V490 PolarHBondContact O-N 3.01Å
487	G	95.7	Very high	96.8	Very high	6 Å²	6	54.1 Å²	54.1	6%	0.062	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-33.5	-172.1	0	0	0	0	0	114.5	V485 L489 V490 V491	V485-G487 PolarHBondContact O-N 2.98Å; V485-G487 VanDerWaalsContact O-N 3.08Å; G487-L489 PolarHBondContact O-N 3.46Å; G487-V490 PolarHBondContact O-N 3.35Å; G487-V491 WeakPolarHBondContact O-CG2 3.3Å; G487-V491 PolarHBondContact O-N 2.83Å
488	S	95.7	Very high	96.6	Very high	53 Å²	53	54.2 Å²	54.2	37%	0.371	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-43.8	178.3	-45.8	0	0	0	0	111.3	M477 E486 V490 V491 E492	M477-S488 WeakPolarHBondContact CE-OG 3.48Å; E486-S488 VanDerWaalsContact C-N 3.3Å; E486-S488 PolarHBondContact O-N 2.88Å; E486-S488 PolarHBondContact OE1-OG 3.43Å; S488-V490 VanDerWaalsContact C-N 3.35Å; S488-V491 PolarHBondContact O-N 3.21Å; S488-E492 WeakPolarHBondContact O-CG 3.42Å; S488-E492 PolarHBondContact O-N 3.32Å
489	L	96.6	Very high	96.3	Very high	111 Å²	111	57.9 Å²	57.9	58%	0.581	33%	0.333	S	S	*	.	H	α-helix	trans	-66.1	-39.4	178	-176	147.9	0	0	0	111.3	E486 G487 K493	E486-L489 HydrophobicContact CB-CB 4.33Å; E486-L489 HydrophobicContact CG-CB 4.18Å; E486-L489 PolarHBondContact O-N 3.42Å; G487-L489 PolarHBondContact O-N 3.46Å; L489-K493 WeakPolarHBondContact O-CB 3.39Å; L489-K493 PolarHBondContact O-N 3.25Å
490	V	97.3	Very high	96.1	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-49.6	175.7	173.9	0	0	0	0	110.9	A480 V485 E486 G487 S488 K493 I494 Y503 Y510	A480-V490 HydrophobicContact CB-CB 4.04Å; A480-V490 HydrophobicContact CB-CG1 4.18Å; A480-V490 HydrophobicContact CB-CG2 4.01Å; V485-V490 HydrophobicContact CG2-CG2 3.94Å; E486-V490 PolarHBondContact O-N 3.01Å; G487-V490 PolarHBondContact O-N 3.35Å; S488-V490 VanDerWaalsContact C-N 3.35Å; V490-K493 PolarHBondContact O-N 2.84Å; V490-I494 HydrophobicContact CG1-CD1 3.87Å; V490-I494 HydrophobicContact CG1-CG1 4.49Å; V490-I494 VanDerWaalsContact O-CG1 3.31Å; V490-I494 WeakPolarHBondContact O-CG1 3.42Å; V490-I494 PolarHBondContact O-N 3.5Å; V490-Y503 HydrophobicContact CG1-CD1 3.7Å; V490-Y503 HydrophobicContact CG1-CD2 4.16Å; V490-Y503 HydrophobicContact CG1-CE1 4.35Å; V490-Y503 HydrophobicContact CG1-CG 3.58Å; V490-Y503 HydrophobicContact CG2-CE1 4.37Å; V490-Y510 WeakPolarHBondContact CA-OH 3.32Å
491	V	97.4	Very high	96	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-46.6	179.7	166.5	0	0	0	0	112.3	L445 R473 A476 M477 G487 S488 K493 I494 L495	L445-V491 HydrophobicContact CD1-CG1 4.15Å; L445-V491 HydrophobicContact CD1-CG2 4.26Å; L445-V491 HydrophobicContact CD2-CG1 3.67Å; R473-V491 HydrophobicContact CB-CG1 4.21Å; R473-V491 HydrophobicContact CG-CG1 4.1Å; A476-V491 HydrophobicContact CB-CG2 3.71Å; M477-V491 HydrophobicContact CG-CB 4.39Å; M477-V491 HydrophobicContact CG-CG2 3.58Å; G487-V491 WeakPolarHBondContact O-CG2 3.3Å; G487-V491 PolarHBondContact O-N 2.83Å; S488-V491 PolarHBondContact O-N 3.21Å; V491-K493 VanDerWaalsContact C-N 3.3Å; V491-K493 PolarHBondContact O-N 3.05Å; V491-I494 PolarHBondContact O-N 3.39Å; V491-L495 HydrophobicContact CG1-CD1 3.93Å; V491-L495 HydrophobicContact CG1-CG 4.4Å; V491-L495 WeakPolarHBondContact O-CG 3.5Å; V491-L495 PolarHBondContact O-N 3.45Å
492	E	97.3	Very high	96	Very high	82 Å²	82	54.1 Å²	54.1	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-41.8	178.7	-71.5	-56.1	142.9	0	0	111.8	R473 S488 I494 L495 Q496	R473-E492 IonicContact CZ-OE1 3.28Å; R473-E492 IonicContact NH1-OE1 2.96Å; R473-E492 PolarHBondContact NH1-OE1 2.98Å; R473-E492 IonicContact NH2-OE1 2.71Å; S488-E492 WeakPolarHBondContact O-CG 3.42Å; S488-E492 PolarHBondContact O-N 3.32Å; E492-I494 PolarHBondContact O-N 3.32Å; E492-L495 PolarHBondContact O-N 2.98Å; E492-Q496 VanDerWaalsContact O-CG 3.31Å; E492-Q496 WeakPolarHBondContact O-CG 3.48Å; E492-Q496 PolarHBondContact O-N 3.26Å
493	K	96.9	Very high	96	Very high	98 Å²	98	54.5 Å²	54.5	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-36.9	177.1	-176	161.1	165.4	-167.2	0	112.6	L489 V490 V491 Q496 G497 M501 Y510	L489-K493 WeakPolarHBondContact O-CB 3.39Å; L489-K493 PolarHBondContact O-N 3.25Å; V490-K493 PolarHBondContact O-N 2.84Å; V491-K493 VanDerWaalsContact C-N 3.3Å; V491-K493 PolarHBondContact O-N 3.05Å; K493-Q496 PolarHBondContact O-N 2.71Å; K493-G497 PolarHBondContact O-N 3.41Å; K493-G497 VanDerWaalsContact O-N 3.14Å; K493-M501 HydrophobicContact CG-CE 4.4Å; K493-M501 VanDerWaalsContact O-CE 3.25Å; K493-M501 WeakPolarHBondContact O-CE 3.32Å; K493-Y510 HydrophobicContact CB-CE1 3.92Å; K493-Y510 HydrophobicContact CD-CD1 4.46Å; K493-Y510 HydrophobicContact CD-CD2 4.19Å; K493-Y510 HydrophobicContact CD-CE1 3.88Å; K493-Y510 HydrophobicContact CD-CE2 3.58Å; K493-Y510 WeakPolarHBondContact CD-OH 3.43Å; K493-Y510 VanDerWaalsContact CE-CE2 3.4Å; K493-Y510 HydrophobicContact CG-CD1 4.25Å; K493-Y510 HydrophobicContact CG-CE1 3.66Å; K493-Y510 HydrophobicContact CG-CE2 4.31Å; K493-Y510 VanDerWaalsContact NZ-CD2 3.28Å
494	I	96.9	Very high	96	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-47.9	172.4	-67	167.4	0	0	0	110	L445 R446 V490 V491 E492 Q496 G497 Y510	L445-I494 HydrophobicContact CD1-CB 4.21Å; L445-I494 HydrophobicContact CD1-CD1 4.24Å; L445-I494 HydrophobicContact CD1-CG2 3.84Å; R446-I494 VanDerWaalsContact CZ-O 3.28Å; R446-I494 PolarHBondContact NH1-O 2.93Å; R446-I494 PolarHBondContact NH2-O 3.37Å; V490-I494 HydrophobicContact CG1-CD1 3.87Å; V490-I494 HydrophobicContact CG1-CG1 4.49Å; V490-I494 VanDerWaalsContact O-CG1 3.31Å; V490-I494 WeakPolarHBondContact O-CG1 3.42Å; V490-I494 PolarHBondContact O-N 3.5Å; V491-I494 PolarHBondContact O-N 3.39Å; E492-I494 PolarHBondContact O-N 3.32Å; I494-Q496 VanDerWaalsContact C-N 3.28Å; I494-Q496 PolarHBondContact O-N 2.76Å; I494-G497 PolarHBondContact O-N 3.37Å; I494-G497 VanDerWaalsContact O-N 3.13Å; I494-Y510 HydrophobicContact CG1-CE1 4.15Å
495	L	95.8	Very high	96	Very high	46 Å²	46	51.5 Å²	51.5	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-33.3	-179.3	-72.1	172.3	0	0	0	113.2	L445 I448 V491 E492	L445-L495 HydrophobicContact CB-CD2 4Å; L445-L495 HydrophobicContact CD2-CD2 4.4Å; I448-L495 HydrophobicContact CD1-CD2 4.3Å; V491-L495 HydrophobicContact CG1-CD1 3.93Å; V491-L495 HydrophobicContact CG1-CG 4.4Å; V491-L495 WeakPolarHBondContact O-CG 3.5Å; V491-L495 PolarHBondContact O-N 3.45Å; E492-L495 PolarHBondContact O-N 2.98Å
496	Q	95.2	Very high	95.9	Very high	158 Å²	158	52.6 Å²	52.6	74%	0.738	29%	0.288	S	S	*	.	H	α-helix	trans	-79	-20.1	176.3	-69.2	171.9	11.3	0	0	114	E492 K493 I494	E492-Q496 VanDerWaalsContact O-CG 3.31Å; E492-Q496 WeakPolarHBondContact O-CG 3.48Å; E492-Q496 PolarHBondContact O-N 3.26Å; K493-Q496 PolarHBondContact O-N 2.71Å; I494-Q496 VanDerWaalsContact C-N 3.28Å; I494-Q496 PolarHBondContact O-N 2.76Å
497	G	93.3	Very high	95.8	Very high	27 Å²	27	53 Å²	53	28%	0.278	29%	0.29	S	S	.	.	S	Bend	trans	-81.2	-180	-178.4	0	0	0	0	0	114.4	K493 I494	K493-G497 PolarHBondContact O-N 3.41Å; K493-G497 VanDerWaalsContact O-N 3.14Å; I494-G497 PolarHBondContact O-N 3.37Å; I494-G497 VanDerWaalsContact O-N 3.13Å
498	A	93.9	Very high	95.8	Very high	59 Å²	59	54.6 Å²	54.6	49%	0.488	31%	0.306	S	S	.	.			trans	-60.8	157.8	173.3	0	0	0	0	0	111.8	R446 D500 M501	R446-A498 PolarHBondContact NH2-O 2.88Å; A498-D500 VanDerWaalsContact C-N 3.26Å; A498-D500 WeakPolarHBondContact CB-OD1 3.29Å; A498-D500 PolarHBondContact O-N 3Å; A498-M501 HydrophobicContact CB-CB 4.37Å; A498-M501 WeakPolarHBondContact O-CB 3.43Å; A498-M501 PolarHBondContact O-N 3.42Å; A498-M501 VanDerWaalsContact O-N 3.08Å
499	S	91.7	Very high	95.9	Very high	89 Å²	89	56.4 Å²	56.4	62%	0.622	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-33.7	-173	49.5	0	0	0	0	113.7	L438 R446	L438-S499 WeakPolarHBondContact CD1-O 3.36Å; R446-S499 PolarHBondContact NE-O 3.2Å
500	D	93.2	Very high	95.9	Very high	65 Å²	65	54 Å²	54	35%	0.348	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.8	178.7	56.8	-9.4	0	0	0	114.1	A498 N512 M513	A498-D500 VanDerWaalsContact C-N 3.26Å; A498-D500 WeakPolarHBondContact CB-OD1 3.29Å; A498-D500 PolarHBondContact O-N 3Å; D500-N512 WeakPolarHBondContact O-CA 3.42Å; D500-N512 PolarHBondContact OD2-ND2 3.41Å; D500-M513 PolarHBondContact O-N 2.97Å
501	M	96.8	Very high	95.9	Very high	40 Å²	40	54.6 Å²	54.6	20%	0.197	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.9	175.4	-166.1	-167.5	86.9	0	0	110.8	R446 K493 A498 Y510 V511	R446-M501 PolarHBondContact NH2-O 3.41Å; K493-M501 HydrophobicContact CG-CE 4.4Å; K493-M501 VanDerWaalsContact O-CE 3.25Å; K493-M501 WeakPolarHBondContact O-CE 3.32Å; A498-M501 HydrophobicContact CB-CB 4.37Å; A498-M501 WeakPolarHBondContact O-CB 3.43Å; A498-M501 PolarHBondContact O-N 3.42Å; A498-M501 VanDerWaalsContact O-N 3.08Å; M501-Y510 HydrophobicContact CE-CD1 3.8Å; M501-Y510 HydrophobicContact CE-CE1 4.46Å; M501-Y510 HydrophobicContact CE-CG 4.47Å; M501-V511 WeakPolarHBondContact CA-O 3.43Å
502	G	97.3	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	-162.4	170	0	0	0	0	0	111.8	Y510 V511 M513	G502-Y510 VanDerWaalsContact O-CA 3.22Å; G502-Y510 WeakPolarHBondContact O-CA 3.41Å; G502-Y510 WeakPolarHBondContact O-CD1 3.45Å; G502-V511 PolarHBondContact N-O 3.07Å; G502-V511 PolarHBondContact O-N 2.91Å; G502-V511 VanDerWaalsContact O-N 3.11Å; G502-M513 WeakPolarHBondContact CA-SD 3.35Å
503	Y	98	Very high	95.8	Very high	26 Å²	26	52.2 Å²	52.2	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.3	-177.7	-178.7	-107.9	0	0	0	110.7	V485 V490 A505 G508 Y510	V485-Y503 HydrophobicContact CG2-CE1 4.12Å; V490-Y503 HydrophobicContact CG1-CD1 3.7Å; V490-Y503 HydrophobicContact CG1-CD2 4.16Å; V490-Y503 HydrophobicContact CG1-CE1 4.35Å; V490-Y503 HydrophobicContact CG1-CG 3.58Å; V490-Y503 HydrophobicContact CG2-CE1 4.37Å; Y503-A505 HydrophobicContact CD1-CB 4.11Å; Y503-A505 HydrophobicContact CE1-CB 3.97Å; Y503-A505 PolarHBondContact O-N 2.91Å; Y503-G508 WeakPolarHBondContact OH-CA 3.37Å; Y503-Y510 HydrophobicContact CD2-CD1 4.21Å; Y503-Y510 HydrophobicContact CD2-CD2 4.29Å; Y503-Y510 AromaticContact CD2-CE1 3.98Å; Y503-Y510 HydrophobicContact CD2-CE1 3.98Å; Y503-Y510 HydrophobicContact CD2-CE2 4.03Å; Y503-Y510 HydrophobicContact CD2-CG 4.38Å; Y503-Y510 AromaticContact CD2-CZ 3.88Å; Y503-Y510 HydrophobicContact CE2-CE2 4.32Å
504	D	97.4	Very high	95.5	Very high	21 Å²	21	50.1 Å²	50.1	11%	0.112	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	103.2	169.3	-177.5	-22	0	0	0	108.5	M506 Q507 G508 E509 V511 I518	D504-M506 VanDerWaalsContact C-N 3.27Å; D504-M506 PolarHBondContact O-N 3.07Å; D504-M506 WeakPolarHBondContact OD1-CA 3.31Å; D504-M506 VanDerWaalsContact OD1-CB 3.26Å; D504-M506 WeakPolarHBondContact OD1-CB 3.41Å; D504-M506 PolarHBondContact OD1-N 2.69Å; D504-Q507 HydrophobicContact CB-CB 4.49Å; D504-Q507 PolarHBondContact OD1-N 2.79Å; D504-Q507 WeakPolarHBondContact OD2-CG 3.42Å; D504-G508 VanDerWaalsContact O-CA 3.26Å; D504-G508 WeakPolarHBondContact O-CA 3.5Å; D504-G508 PolarHBondContact O-N 3.45Å; D504-E509 HydrophobicContact CB-CG 4.45Å; D504-E509 PolarHBondContact N-O 3.43Å; D504-E509 PolarHBondContact O-N 3.42Å; D504-V511 HydrophobicContact CB-CG2 3.98Å; D504-I518 HydrophobicContact CB-CD1 3.81Å
505	A	96.9	Very high	95.2	Very high	5 Å²	5	57.7 Å²	57.7	4%	0.041	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17	-179.2	0	0	0	0	0	114	P57 K58 I479 A483 Y503	P57-A505 HydrophobicContact CG-CB 3.89Å; K58-A505 WeakPolarHBondContact CD-O 3.37Å; K58-A505 VanDerWaalsContact CE-O 3.26Å; K58-A505 WeakPolarHBondContact CE-O 3.45Å; K58-A505 PolarHBondContact NZ-O 3.43Å; K58-A505 VanDerWaalsContact NZ-O 3.12Å; I479-A505 HydrophobicContact CG2-CB 3.52Å; A483-A505 HydrophobicContact CB-CB 4.13Å; Y503-A505 HydrophobicContact CD1-CB 4.11Å; Y503-A505 HydrophobicContact CE1-CB 3.97Å; Y503-A505 PolarHBondContact O-N 2.91Å
506	M	94.4	Very high	95.1	Very high	81 Å²	81	61.5 Å²	61.5	40%	0.399	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-54.3	174.3	-173.2	64.9	91.7	0	0	109.4	P57 K58 D504	P57-M506 HydrophobicContact CB-CB 4.12Å; P57-M506 HydrophobicContact CB-CE 3.63Å; P57-M506 HydrophobicContact CB-SD 4.21Å; P57-M506 HydrophobicContact CG-CB 4.24Å; K58-M506 WeakPolarHBondContact CE-O 3.36Å; K58-M506 PolarHBondContact NZ-O 2.82Å; D504-M506 VanDerWaalsContact C-N 3.27Å; D504-M506 PolarHBondContact O-N 3.07Å; D504-M506 WeakPolarHBondContact OD1-CA 3.31Å; D504-M506 VanDerWaalsContact OD1-CB 3.26Å; D504-M506 WeakPolarHBondContact OD1-CB 3.41Å; D504-M506 PolarHBondContact OD1-N 2.69Å
507	Q	95.1	Very high	94.8	Very high	136 Å²	136	54.1 Å²	54.1	64%	0.636	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-24	-177.4	-60.9	-57.2	-26.4	0	0	113.7	D504 E509	D504-Q507 HydrophobicContact CB-CB 4.49Å; D504-Q507 PolarHBondContact OD1-N 2.79Å; D504-Q507 WeakPolarHBondContact OD2-CG 3.42Å; Q507-E509 HydrophobicContact CB-CG 3.82Å
508	G	95.6	Very high	94.9	Very high	38 Å²	38	53.9 Å²	53.9	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	27.9	-179.5	0	0	0	0	0	114.3	Y503 D504	Y503-G508 WeakPolarHBondContact OH-CA 3.37Å; D504-G508 VanDerWaalsContact O-CA 3.26Å; D504-G508 WeakPolarHBondContact O-CA 3.5Å; D504-G508 PolarHBondContact O-N 3.45Å
509	E	96.7	Very high	95	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.43	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	160.4	-175.9	54.2	173.5	-162.1	0	0	113	D504 Q507 V511	D504-E509 HydrophobicContact CB-CG 4.45Å; D504-E509 PolarHBondContact N-O 3.43Å; D504-E509 PolarHBondContact O-N 3.42Å; Q507-E509 HydrophobicContact CB-CG 3.82Å; E509-V511 HydrophobicContact CG-CG1 3.76Å
510	Y	97.4	Very high	95.2	Very high	59 Å²	59	48.8 Å²	48.8	23%	0.231	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.6	175.2	-66.1	-91.2	0	0	0	109.5	V490 K493 I494 M501 G502 Y503	V490-Y510 WeakPolarHBondContact CA-OH 3.32Å; K493-Y510 HydrophobicContact CB-CE1 3.92Å; K493-Y510 HydrophobicContact CD-CD1 4.46Å; K493-Y510 HydrophobicContact CD-CD2 4.19Å; K493-Y510 HydrophobicContact CD-CE1 3.88Å; K493-Y510 HydrophobicContact CD-CE2 3.58Å; K493-Y510 WeakPolarHBondContact CD-OH 3.43Å; K493-Y510 VanDerWaalsContact CE-CE2 3.4Å; K493-Y510 HydrophobicContact CG-CD1 4.25Å; K493-Y510 HydrophobicContact CG-CE1 3.66Å; K493-Y510 HydrophobicContact CG-CE2 4.31Å; K493-Y510 VanDerWaalsContact NZ-CD2 3.28Å; I494-Y510 HydrophobicContact CG1-CE1 4.15Å; M501-Y510 HydrophobicContact CE-CD1 3.8Å; M501-Y510 HydrophobicContact CE-CE1 4.46Å; M501-Y510 HydrophobicContact CE-CG 4.47Å; G502-Y510 VanDerWaalsContact O-CA 3.22Å; G502-Y510 WeakPolarHBondContact O-CA 3.41Å; G502-Y510 WeakPolarHBondContact O-CD1 3.45Å; Y503-Y510 HydrophobicContact CD2-CD1 4.21Å; Y503-Y510 HydrophobicContact CD2-CD2 4.29Å; Y503-Y510 AromaticContact CD2-CE1 3.98Å; Y503-Y510 HydrophobicContact CD2-CE1 3.98Å; Y503-Y510 HydrophobicContact CD2-CE2 4.03Å; Y503-Y510 HydrophobicContact CD2-CG 4.38Å; Y503-Y510 AromaticContact CD2-CZ 3.88Å; Y503-Y510 HydrophobicContact CE2-CE2 4.32Å
511	V	97.3	Very high	95.4	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	164.2	-169.5	-62.2	0	0	0	0	110.9	M501 G502 D504 E509 M513 K516 I518	M501-V511 WeakPolarHBondContact CA-O 3.43Å; G502-V511 PolarHBondContact N-O 3.07Å; G502-V511 PolarHBondContact O-N 2.91Å; G502-V511 VanDerWaalsContact O-N 3.11Å; D504-V511 HydrophobicContact CB-CG2 3.98Å; E509-V511 HydrophobicContact CG-CG1 3.76Å; V511-M513 HydrophobicContact CG2-SD 4.24Å; V511-M513 PolarHBondContact O-N 3.31Å; V511-K516 HydrophobicContact CB-CG 3.93Å; V511-K516 HydrophobicContact CG1-CG 4.23Å; V511-K516 HydrophobicContact CG2-CB 4.11Å; V511-K516 HydrophobicContact CG2-CG 3.91Å; V511-I518 HydrophobicContact CG2-CD1 4.33Å
512	N	96.8	Very high	95.4	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117.3	161.5	-175.6	-48.9	0	0	0	108.8	D500 V514 E515 K516	D500-N512 WeakPolarHBondContact O-CA 3.42Å; D500-N512 PolarHBondContact OD2-ND2 3.41Å; N512-V514 PolarHBondContact O-N 2.99Å; N512-V514 PolarHBondContact OD1-N 3.41Å; N512-E515 HydrophobicContact CB-CB 3.99Å; N512-E515 HydrophobicContact CB-CG 4.04Å; N512-E515 PolarHBondContact OD1-N 3.15Å; N512-E515 VanDerWaalsContact OD1-N 3.08Å; N512-K516 WeakPolarHBondContact O-CB 3.46Å; N512-K516 PolarHBondContact O-N 2.75Å
513	M	94.8	Very high	95.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-36.5	-171.9	-62.1	-64.7	-80.2	0	0	112.4	L438 G439 D500 G502 V511 G517 I518	L438-M513 HydrophobicContact CD2-CB 3.95Å; G439-M513 WeakPolarHBondContact O-CE 3.44Å; D500-M513 PolarHBondContact O-N 2.97Å; G502-M513 WeakPolarHBondContact CA-SD 3.35Å; V511-M513 HydrophobicContact CG2-SD 4.24Å; V511-M513 PolarHBondContact O-N 3.31Å; M513-G517 PolarHBondContact O-N 2.97Å; M513-G517 VanDerWaalsContact O-N 3.12Å; M513-I518 HydrophobicContact CE-CB 3.7Å; M513-I518 HydrophobicContact CE-CD1 4.3Å; M513-I518 HydrophobicContact CE-CG2 3.37Å; M513-I518 PolarHBondContact O-N 3.01Å; M513-I518 HydrophobicContact SD-CB 4.25Å; M513-I518 HydrophobicContact SD-CD1 4.18Å; M513-I518 HydrophobicContact SD-CG2 4.48Å
514	V	90.6	Very high	95.3	Very high	55 Å²	55	44.8 Å²	44.8	33%	0.333	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-45.3	-179.3	-176.7	0	0	0	0	110.3	L438 N512 K516 G517	L438-V514 HydrophobicContact CD2-CG2 3.53Å; N512-V514 PolarHBondContact O-N 2.99Å; N512-V514 PolarHBondContact OD1-N 3.41Å; V514-K516 VanDerWaalsContact C-N 3.26Å; V514-K516 PolarHBondContact O-N 2.92Å; V514-G517 PolarHBondContact O-N 3.46Å
515	E	91.3	Very high	95.4	Very high	161 Å²	161	44.4 Å²	44.4	75%	0.752	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.8	178.3	-66.4	178.1	172.4	0	0	112.2	N512 G517	N512-E515 HydrophobicContact CB-CB 3.99Å; N512-E515 HydrophobicContact CB-CG 4.04Å; N512-E515 PolarHBondContact OD1-N 3.15Å; N512-E515 VanDerWaalsContact OD1-N 3.08Å; E515-G517 VanDerWaalsContact C-N 3.3Å
516	K	92.9	Very high	95.4	Very high	126 Å²	126	45.9 Å²	45.9	55%	0.548	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.3	171.8	-85	-53.8	-165.3	-176	0	115.1	V511 N512 V514 I518	V511-K516 HydrophobicContact CB-CG 3.93Å; V511-K516 HydrophobicContact CG1-CG 4.23Å; V511-K516 HydrophobicContact CG2-CB 4.11Å; V511-K516 HydrophobicContact CG2-CG 3.91Å; N512-K516 WeakPolarHBondContact O-CB 3.46Å; N512-K516 PolarHBondContact O-N 2.75Å; V514-K516 VanDerWaalsContact C-N 3.26Å; V514-K516 PolarHBondContact O-N 2.92Å; K516-I518 VanDerWaalsContact C-N 3.29Å; K516-I518 HydrophobicContact CB-CD1 4.33Å; K516-I518 HydrophobicContact CB-CG1 4.22Å; K516-I518 PolarHBondContact O-N 3.18Å
517	G	90.3	Very high	95.5	Very high	3 Å²	3	42 Å²	42	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	21.8	179.5	0	0	0	0	0	114	I174 M513 V514 E515 I519	I174-G517 VanDerWaalsContact CG1-O 3.25Å; I174-G517 WeakPolarHBondContact CG1-O 3.26Å; M513-G517 PolarHBondContact O-N 2.97Å; M513-G517 VanDerWaalsContact O-N 3.12Å; V514-G517 PolarHBondContact O-N 3.46Å; E515-G517 VanDerWaalsContact C-N 3.3Å; G517-I519 PolarHBondContact O-N 3.46Å
518	I	95.1	Very high	95.6	Very high	22 Å²	22	35.5 Å²	35.5	11%	0.113	18%	0.18	C	C	.	.			trans	-89.3	84.8	174.5	-49.8	174.7	0	0	0	108.1	I174 G439 D504 V511 M513 K516	I174-I518 HydrophobicContact CD1-CG1 4.46Å; G439-I518 WeakPolarHBondContact CA-O 3.3Å; G439-I518 PolarHBondContact N-O 3.29Å; D504-I518 HydrophobicContact CB-CD1 3.81Å; V511-I518 HydrophobicContact CG2-CD1 4.33Å; M513-I518 HydrophobicContact CE-CB 3.7Å; M513-I518 HydrophobicContact CE-CD1 4.3Å; M513-I518 HydrophobicContact CE-CG2 3.37Å; M513-I518 PolarHBondContact O-N 3.01Å; M513-I518 HydrophobicContact SD-CB 4.25Å; M513-I518 HydrophobicContact SD-CD1 4.18Å; M513-I518 HydrophobicContact SD-CG2 4.48Å; K516-I518 VanDerWaalsContact C-N 3.29Å; K516-I518 HydrophobicContact CB-CD1 4.33Å; K516-I518 HydrophobicContact CB-CG1 4.22Å; K516-I518 PolarHBondContact O-N 3.18Å
519	I	95.2	Very high	95.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.8	-173.7	50.9	171.5	0	0	0	110.2	Q170 V171 I436 V437 G517	Q170-I519 HydrophobicContact CB-CD1 4.06Å; Q170-I519 HydrophobicContact CB-CG1 4.4Å; V171-I519 HydrophobicContact CG2-CD1 3.64Å; V171-I519 HydrophobicContact CG2-CG1 3.96Å; I436-I519 HydrophobicContact CB-CB 4.48Å; I436-I519 HydrophobicContact CD1-CB 4.47Å; I436-I519 HydrophobicContact CD1-CD1 3.52Å; I436-I519 HydrophobicContact CD1-CG2 4.44Å; I436-I519 HydrophobicContact CG2-CD1 4.38Å; V437-I519 WeakPolarHBondContact O-CA 3.37Å; G517-I519 PolarHBondContact O-N 3.46Å
520	D	96.3	Very high	95.8	Very high	39 Å²	39	32.2 Å²	32.2	21%	0.209	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.2	178.4	-67.3	-24.3	0	0	0	109.8	I436 V437 G439 G440 T522 V525	I436-D520 WeakPolarHBondContact CA-O 3.19Å; V437-D520 WeakPolarHBondContact CG2-O 3.43Å; V437-D520 PolarHBondContact N-O 3.35Å; V437-D520 PolarHBondContact O-N 3.34Å; G439-D520 VanDerWaalsContact CA-CG 3.46Å; G439-D520 WeakPolarHBondContact CA-OD2 3.31Å; G440-D520 PolarHBondContact N-OD2 3.3Å; D520-T522 PolarHBondContact O-N 3.33Å; D520-V525 HydrophobicContact CB-CG2 3.9Å
521	P	97.1	Very high	95.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133	174.3	-18.9	31.2	0	0	0	111.8	V171 A427 A430 A431 K523 V524 V525	V171-P521 HydrophobicContact CG1-CG 3.91Å; A427-P521 HydrophobicContact CB-CG 3.94Å; A427-P521 WeakPolarHBondContact O-CG 3.34Å; A430-P521 HydrophobicContact CB-CB 3.88Å; A430-P521 HydrophobicContact CB-CG 4.44Å; A431-P521 HydrophobicContact CB-CB 4.06Å; A431-P521 HydrophobicContact CB-CG 4.12Å; P521-K523 VanDerWaalsContact C-N 3.29Å; P521-K523 PolarHBondContact O-N 3.31Å; P521-V524 HydrophobicContact CB-CB 4.2Å; P521-V524 HydrophobicContact CB-CG2 3.84Å; P521-V524 HydrophobicContact CG-CB 4.49Å; P521-V524 HydrophobicContact CG-CG2 3.97Å; P521-V524 PolarHBondContact O-N 2.76Å; P521-V524 VanDerWaalsContact O-N 3.15Å; P521-V525 PolarHBondContact O-N 2.84Å
522	T	97.6	Very high	95.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-59.2	-40.8	-179.2	-57.7	0	0	0	0	112.1	S159 G435 V437 D520 V524 V525 R526	S159-T522 WeakPolarHBondContact CB-OG1 2.91Å; S159-T522 PolarHBondContact OG-OG1 3.46Å; G435-T522 PolarHBondContact O-N 3.07Å; G435-T522 PolarHBondContact O-OG1 2.94Å; V437-T522 HydrophobicContact CG1-CG2 4.41Å; V437-T522 WeakPolarHBondContact CG1-OG1 3.29Å; D520-T522 PolarHBondContact O-N 3.33Å; T522-V524 PolarHBondContact O-N 3.34Å; T522-V525 PolarHBondContact O-N 2.84Å; T522-R526 VanDerWaalsContact O-CB 3.29Å; T522-R526 WeakPolarHBondContact O-CB 3.46Å; T522-R526 PolarHBondContact O-N 3.25Å
523	K	96.6	Very high	95.8	Very high	36 Å²	36	27.8 Å²	27.8	16%	0.157	14%	0.135	C	C	.	.	H	α-helix	trans	-57.1	-47.2	176.9	-176.3	178	-174.8	-175	0	111.5	E108 A430 E433 E434 P521 V525 R526 T527	E108-K523 WeakPolarHBondContact O-CE 3.36Å; A430-K523 HydrophobicContact CB-CB 4.11Å; A430-K523 HydrophobicContact CB-CD 4.06Å; E433-K523 IonicContact OE2-NZ 2.73Å; E433-K523 PolarHBondContact OE2-NZ 2.91Å; E434-K523 HydrophobicContact CB-CB 4Å; E434-K523 HydrophobicContact CG-CB 3.98Å; E434-K523 HydrophobicContact CG-CG 4.46Å; E434-K523 WeakPolarHBondContact OE1-CG 3.36Å; P521-K523 VanDerWaalsContact C-N 3.29Å; P521-K523 PolarHBondContact O-N 3.31Å; K523-V525 PolarHBondContact O-N 3.32Å; K523-R526 PolarHBondContact O-N 2.73Å; K523-T527 VanDerWaalsContact O-CB 3.29Å; K523-T527 WeakPolarHBondContact O-CB 3.43Å; K523-T527 PolarHBondContact O-N 3.42Å; K523-T527 PolarHBondContact O-OG1 3.28Å
524	V	96.8	Very high	95.9	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-48.7	-179.7	173.5	0	0	0	0	110.9	A109 D111 A430 P521 T522 R526 T527 A528	A109-V524 HydrophobicContact CB-CB 4.48Å; A109-V524 HydrophobicContact CB-CG2 3.99Å; D111-V524 HydrophobicContact CB-CG1 4.2Å; D111-V524 HydrophobicContact CB-CG2 4.1Å; A430-V524 HydrophobicContact CB-CG2 4.06Å; P521-V524 HydrophobicContact CB-CB 4.2Å; P521-V524 HydrophobicContact CB-CG2 3.84Å; P521-V524 HydrophobicContact CG-CB 4.49Å; P521-V524 HydrophobicContact CG-CG2 3.97Å; P521-V524 PolarHBondContact O-N 2.76Å; P521-V524 VanDerWaalsContact O-N 3.15Å; T522-V524 PolarHBondContact O-N 3.34Å; V524-R526 PolarHBondContact O-N 3.5Å; V524-T527 PolarHBondContact O-N 3.45Å; V524-A528 VanDerWaalsContact O-CB 3.26Å; V524-A528 WeakPolarHBondContact O-CB 3.44Å; V524-A528 PolarHBondContact O-N 3.14Å
525	V	97.9	Very high	96.1	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.085	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-42.8	-179.5	-179.8	0	0	0	0	111.5	L155 V437 L444 D520 P521 T522 K523 L529	L155-V525 HydrophobicContact CD1-CG1 3.93Å; L155-V525 HydrophobicContact CD2-CG1 4.15Å; V437-V525 HydrophobicContact CG2-CG2 4.04Å; L444-V525 HydrophobicContact CD1-CG1 4.38Å; L444-V525 HydrophobicContact CD2-CG1 3.63Å; L444-V525 HydrophobicContact CG-CG1 3.83Å; D520-V525 HydrophobicContact CB-CG2 3.9Å; P521-V525 PolarHBondContact O-N 2.84Å; T522-V525 PolarHBondContact O-N 2.84Å; K523-V525 PolarHBondContact O-N 3.32Å; V525-L529 PolarHBondContact O-N 3.14Å
526	R	97.3	Very high	96.3	Very high	35 Å²	35	20.1 Å²	20.1	13%	0.132	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-53	177.2	168.5	177	80.6	68.9	-2.6	111.6	E108 I152 E434 T522 K523 V524 L529 M530	E108-R526 IonicContact OE1-NH1 3.75Å; E108-R526 IonicContact OE1-NH2 2.96Å; I152-R526 HydrophobicContact CB-CG 4.5Å; I152-R526 HydrophobicContact CD1-CG 4Å; I152-R526 HydrophobicContact CG1-CG 3.97Å; I152-R526 HydrophobicContact CG2-CG 3.81Å; E434-R526 IonicContact OE1-CZ 3.34Å; E434-R526 IonicContact OE1-NE 2.76Å; E434-R526 IonicContact OE1-NH2 2.99Å; E434-R526 PolarHBondContact OE1-NH2 3.23Å; E434-R526 IonicContact OE2-CZ 3.99Å; E434-R526 IonicContact OE2-NE 3.9Å; E434-R526 PolarHBondContact OE2-NE 3.5Å; E434-R526 IonicContact OE2-NH2 2.77Å; T522-R526 VanDerWaalsContact O-CB 3.29Å; T522-R526 WeakPolarHBondContact O-CB 3.46Å; T522-R526 PolarHBondContact O-N 3.25Å; K523-R526 PolarHBondContact O-N 2.73Å; V524-R526 PolarHBondContact O-N 3.5Å; R526-L529 PolarHBondContact O-N 3.14Å; R526-M530 WeakPolarHBondContact O-CB 3.46Å; R526-M530 PolarHBondContact O-N 3.11Å
527	T	97.2	Very high	96.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-45.1	-176	-64.3	0	0	0	0	110.6	T105 E108 A109 K523 V524 L529 M530 D531	T105-T527 HydrophobicContact CG2-CG2 4.35Å; E108-T527 HydrophobicContact CB-CG2 3.79Å; E108-T527 VanDerWaalsContact CD-CG2 3.5Å; E108-T527 HydrophobicContact CG-CG2 3.81Å; E108-T527 PolarHBondContact OE1-OG1 3.08Å; E108-T527 VanDerWaalsContact OE1-OG1 3.06Å; A109-T527 HydrophobicContact CB-CG2 4.25Å; K523-T527 VanDerWaalsContact O-CB 3.29Å; K523-T527 WeakPolarHBondContact O-CB 3.43Å; K523-T527 PolarHBondContact O-N 3.42Å; K523-T527 PolarHBondContact O-OG1 3.28Å; V524-T527 PolarHBondContact O-N 3.45Å; T527-L529 VanDerWaalsContact C-N 3.32Å; T527-L529 PolarHBondContact O-N 3.17Å; T527-M530 PolarHBondContact O-N 2.95Å; T527-M530 VanDerWaalsContact O-N 3.16Å; T527-D531 WeakPolarHBondContact CG2-OD2 3.43Å; T527-D531 PolarHBondContact O-N 2.66Å
528	A	97.8	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-41.9	176.5	0	0	0	0	0	113	T105 T115 A116 V524 A532	T105-A528 HydrophobicContact CG2-CB 4.1Å; T115-A528 HydrophobicContact CG2-CB 4.27Å; A116-A528 HydrophobicContact CB-CB 3.89Å; V524-A528 VanDerWaalsContact O-CB 3.26Å; V524-A528 WeakPolarHBondContact O-CB 3.44Å; V524-A528 PolarHBondContact O-N 3.14Å; A528-A532 WeakPolarHBondContact O-CB 3.5Å; A528-A532 PolarHBondContact O-N 3.49Å
529	L	98.3	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-43.7	176.2	177.5	63.7	0	0	0	112.1	L119 V148 V151 L444 L472 V525 R526 T527 A533	L119-L529 HydrophobicContact CD1-CB 4.34Å; L119-L529 HydrophobicContact CD1-CD1 4.24Å; V148-L529 HydrophobicContact CG1-CG 4.34Å; V148-L529 HydrophobicContact CG2-CG 4.41Å; V151-L529 HydrophobicContact CB-CD2 4.01Å; V151-L529 HydrophobicContact CG1-CD2 3.44Å; V151-L529 VanDerWaalsContact CG1-CD2 3.44Å; L444-L529 HydrophobicContact CD2-CD2 4.19Å; L472-L529 HydrophobicContact CD2-CD1 4.23Å; L472-L529 HydrophobicContact CD2-CD2 4.12Å; V525-L529 PolarHBondContact O-N 3.14Å; R526-L529 PolarHBondContact O-N 3.14Å; T527-L529 VanDerWaalsContact C-N 3.32Å; T527-L529 PolarHBondContact O-N 3.17Å; L529-A533 VanDerWaalsContact O-CB 3.23Å; L529-A533 WeakPolarHBondContact O-CB 3.24Å; L529-A533 PolarHBondContact O-N 3.29Å
530	M	97.3	Very high	96.2	Very high	60 Å²	60	18.2 Å²	18.2	30%	0.296	10%	0.099	S	C	.	.	H	α-helix	trans	-63.2	-48.9	-177.3	-172	176.6	71.1	0	0	111.7	I152 R526 T527 G534	I152-M530 HydrophobicContact CD1-CB 4.17Å; I152-M530 HydrophobicContact CD1-CG 4.42Å; R526-M530 WeakPolarHBondContact O-CB 3.46Å; R526-M530 PolarHBondContact O-N 3.11Å; T527-M530 PolarHBondContact O-N 2.95Å; T527-M530 VanDerWaalsContact O-N 3.16Å; M530-G534 PolarHBondContact O-N 3.34Å
531	D	96.9	Very high	96.1	Very high	20 Å²	20	18.5 Å²	18.5	11%	0.107	10%	0.102	C	C	.	.	H	α-helix	trans	-65.8	-47.5	179.8	-68.5	-25.1	0	0	0	111.5	V101 T105 T527 A533 G534 V535	V101-D531 HydrophobicContact CG1-CB 4.32Å; T105-D531 VanDerWaalsContact CA-OD2 3.24Å; T105-D531 WeakPolarHBondContact CA-OD2 3.47Å; T105-D531 PolarHBondContact N-OD2 2.89Å; T105-D531 VanDerWaalsContact N-OD2 3.13Å; T105-D531 PolarHBondContact OG1-OD2 2.95Å; T527-D531 WeakPolarHBondContact CG2-OD2 3.43Å; T527-D531 PolarHBondContact O-N 2.66Å; D531-A533 PolarHBondContact O-N 3.38Å; D531-G534 PolarHBondContact O-N 2.96Å; D531-V535 PolarHBondContact O-N 3.03Å
532	A	97.6	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-49.6	178.5	0	0	0	0	0	111.5	V101 A116 L119 A120 A528 A536	V101-A532 HydrophobicContact CG1-CB 4.17Å; A116-A532 VanDerWaalsContact O-CB 3.29Å; A116-A532 WeakPolarHBondContact O-CB 3.37Å; L119-A532 HydrophobicContact CB-CB 3.68Å; A120-A532 HydrophobicContact CB-CB 4Å; A528-A532 WeakPolarHBondContact O-CB 3.5Å; A528-A532 PolarHBondContact O-N 3.49Å; A532-A536 WeakPolarHBondContact O-CB 3.47Å; A532-A536 PolarHBondContact O-N 3.06Å
533	A	97.4	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-38.9	179	0	0	0	0	0	112.2	I123 V144 V148 I468 L529 D531 S537	I123-A533 HydrophobicContact CD1-CB 3.8Å; V144-A533 HydrophobicContact CG1-CB 4.05Å; V148-A533 HydrophobicContact CG2-CB 3.45Å; V148-A533 VanDerWaalsContact CG2-CB 3.45Å; I468-A533 HydrophobicContact CD1-CB 4.39Å; L529-A533 VanDerWaalsContact O-CB 3.23Å; L529-A533 WeakPolarHBondContact O-CB 3.24Å; L529-A533 PolarHBondContact O-N 3.29Å; D531-A533 PolarHBondContact O-N 3.38Å; A533-S537 WeakPolarHBondContact O-CB 3.43Å; A533-S537 PolarHBondContact O-N 3.21Å; A533-S537 PolarHBondContact O-OG 3.11Å
534	G	96.1	Very high	95.6	Very high	20 Å²	20	25.5 Å²	25.5	21%	0.206	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-47.4	179.5	0	0	0	0	0	112.6	R141 M530 D531	R141-G534 PolarHBondContact NH1-O 2.86Å; M530-G534 PolarHBondContact O-N 3.34Å; D531-G534 PolarHBondContact O-N 2.96Å
535	V	95.3	Very high	95.5	Very high	30 Å²	30	25.7 Å²	25.7	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-79.7	-47.7	179.8	-180	0	0	0	0	111.8	L97 V101 D531 S537 L538 L539	L97-V535 HydrophobicContact CB-CG1 4.07Å; L97-V535 HydrophobicContact CD2-CG1 4.33Å; V101-V535 HydrophobicContact CG2-CB 3.41Å; V101-V535 VanDerWaalsContact CG2-CB 3.41Å; V101-V535 HydrophobicContact CG2-CG1 3.81Å; V101-V535 HydrophobicContact CG2-CG2 3.58Å; D531-V535 PolarHBondContact O-N 3.03Å; V535-S537 PolarHBondContact O-N 3.23Å; V535-L538 WeakPolarHBondContact O-CB 3.44Å; V535-L538 PolarHBondContact O-N 2.86Å; V535-L539 PolarHBondContact O-N 2.97Å
536	A	95.3	Very high	95.4	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-39	-175.2	0	0	0	0	0	112.5	A120 I123 A124 A532 L538 L539 S540	A120-A536 HydrophobicContact CB-CB 4.37Å; A120-A536 WeakPolarHBondContact O-CB 3.41Å; I123-A536 HydrophobicContact CB-CB 3.8Å; I123-A536 HydrophobicContact CG2-CB 3.69Å; A124-A536 HydrophobicContact CB-CB 4.2Å; A532-A536 WeakPolarHBondContact O-CB 3.47Å; A532-A536 PolarHBondContact O-N 3.06Å; A536-L538 VanDerWaalsContact C-N 3.27Å; A536-L538 PolarHBondContact O-N 2.99Å; A536-L539 PolarHBondContact O-N 3.47Å; A536-S540 PolarHBondContact O-N 3.43Å
537	S	94.7	Very high	95.3	Very high	1 Å²	1	28 Å²	28	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-27.2	174.8	67.3	0	0	0	0	112.2	R141 A533 V535 S540 T541	R141-S537 PolarHBondContact NH1-OG 3.3Å; A533-S537 WeakPolarHBondContact O-CB 3.43Å; A533-S537 PolarHBondContact O-N 3.21Å; A533-S537 PolarHBondContact O-OG 3.11Å; V535-S537 PolarHBondContact O-N 3.23Å; S537-S540 PolarHBondContact O-OG 3.44Å; S537-T541 WeakPolarHBondContact O-CG2 3.35Å
538	L	94	Very high	95	Very high	98 Å²	98	32.6 Å²	32.6	51%	0.513	19%	0.189	S	C	.	.	H	α-helix	trans	-71.6	-47.5	174.1	-174.5	60.2	0	0	0	110.3	R141 V535 A536 S540 T541	R141-L538 VanDerWaalsContact NH1-CB 3.34Å; V535-L538 WeakPolarHBondContact O-CB 3.44Å; V535-L538 PolarHBondContact O-N 2.86Å; A536-L538 VanDerWaalsContact C-N 3.27Å; A536-L538 PolarHBondContact O-N 2.99Å; L538-S540 PolarHBondContact O-N 2.87Å; L538-T541 WeakPolarHBondContact O-CB 3.33Å; L538-T541 PolarHBondContact O-N 3.37Å; L538-T541 PolarHBondContact O-OG1 3.04Å
539	L	92.7	Very high	94.4	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-53.7	-40.6	174.6	173.1	55.2	0	0	0	111.4	M40 V44 L97 A124 F128 V535 A536 T541 A542	M40-L539 HydrophobicContact CE-CD1 3.96Å; M40-L539 HydrophobicContact SD-CD1 3.69Å; V44-L539 HydrophobicContact CG2-CD2 3.91Å; L97-L539 HydrophobicContact CD1-CB 4.21Å; L97-L539 HydrophobicContact CD1-CD1 3.57Å; L97-L539 HydrophobicContact CD1-CD2 4.07Å; L97-L539 HydrophobicContact CD1-CG 4.14Å; A124-L539 HydrophobicContact CB-CD2 4.43Å; F128-L539 HydrophobicContact CE1-CG 4.4Å; F128-L539 HydrophobicContact CE2-CG 4.5Å; F128-L539 HydrophobicContact CZ-CD1 3.97Å; F128-L539 HydrophobicContact CZ-CD2 4.26Å; F128-L539 HydrophobicContact CZ-CG 3.71Å; V535-L539 PolarHBondContact O-N 2.97Å; A536-L539 PolarHBondContact O-N 3.47Å; L539-T541 PolarHBondContact O-N 3.21Å; L539-T541 VanDerWaalsContact O-N 3.14Å; L539-A542 WeakPolarHBondContact O-CB 3.37Å; L539-A542 PolarHBondContact O-N 3.38Å; L539-A542 VanDerWaalsContact O-N 3.14Å
540	S	91	Very high	93.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-29.1	177.3	79	0	0	0	0	113.2	I131 A536 S537 L538 A542	I131-S540 WeakPolarHBondContact CD1-O 3.46Å; A536-S540 PolarHBondContact O-N 3.43Å; S537-S540 PolarHBondContact O-OG 3.44Å; L538-S540 PolarHBondContact O-N 2.87Å; S540-A542 VanDerWaalsContact C-N 3.26Å; S540-A542 PolarHBondContact O-N 3.08Å
541	T	93.6	Very high	92.1	Very high	44 Å²	44	45.8 Å²	45.8	27%	0.27	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.7	-178.9	70.3	0	0	0	0	115.1	P137 R141 S537 L538 L539 E543	P137-T541 HydrophobicContact CB-CG2 4.03Å; R141-T541 HydrophobicContact CB-CG2 4.4Å; S537-T541 WeakPolarHBondContact O-CG2 3.35Å; L538-T541 WeakPolarHBondContact O-CB 3.33Å; L538-T541 PolarHBondContact O-N 3.37Å; L538-T541 PolarHBondContact O-OG1 3.04Å; L539-T541 PolarHBondContact O-N 3.21Å; L539-T541 VanDerWaalsContact O-N 3.14Å; T541-E543 PolarHBondContact O-N 2.8Å
542	A	92.8	Very high	90.4	Very high	27 Å²	27	53.2 Å²	53.2	22%	0.223	29%	0.291	C	S	.	.			trans	-71.2	126.1	-175.4	0	0	0	0	0	112.7	R37 M40 L539 S540	R37-A542 PolarHBondContact NH1-O 2.88Å; R37-A542 VanDerWaalsContact NH1-O 3.08Å; M40-A542 HydrophobicContact CE-CB 4.09Å; L539-A542 WeakPolarHBondContact O-CB 3.37Å; L539-A542 PolarHBondContact O-N 3.38Å; L539-A542 VanDerWaalsContact O-N 3.14Å; S540-A542 VanDerWaalsContact C-N 3.26Å; S540-A542 PolarHBondContact O-N 3.08Å
543	E	93.1	Very high	88.1	Confident	107 Å²	107	61.9 Å²	61.9	50%	0.5	33%	0.332	S	S	.	.			trans	-110.9	-21.7	175.7	-170.2	55.2	-145.5	0	0	113.2	F32 G33 R37 T541	F32-E543 CarbonylContact C-O 3.55Å; F32-E543 WeakPolarHBondContact CA-O 3.4Å; G33-E543 WeakPolarHBondContact CA-OE1 3.45Å; G33-E543 PolarHBondContact N-O 3.49Å; G33-E543 PolarHBondContact N-OE1 2.83Å; R37-E543 IonicContact CZ-OE2 3.05Å; R37-E543 IonicContact NH1-OE2 2.71Å; R37-E543 PolarHBondContact NH1-OE2 3.03Å; R37-E543 IonicContact NH2-OE2 3.71Å; T541-E543 PolarHBondContact O-N 2.8Å
544	A	94.9	Very high	85.4	Confident	51 Å²	51	70.6 Å²	70.6	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.9	175.3	0	0	0	0	0	110.3	K31 F32	K31-A544 WeakPolarHBondContact O-CA 3.47Å; F32-A544 HydrophobicContact CD1-CB 3.61Å; F32-A544 HydrophobicContact CE1-CB 3.66Å
545	V	95.6	Very high	82.7	Confident	12 Å²	12	78.3 Å²	78.3	7%	0.073	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.2	178	-176.9	0	0	0	0	109.2	V30 K31 A36 M40 Y90 I93 T547	V30-V545 WeakPolarHBondContact CA-O 3.41Å; K31-V545 PolarHBondContact N-O 3.04Å; K31-V545 PolarHBondContact O-N 2.92Å; A36-V545 HydrophobicContact CB-CB 4.24Å; A36-V545 HydrophobicContact CB-CG2 3.85Å; M40-V545 HydrophobicContact CE-CG2 3.63Å; M40-V545 HydrophobicContact SD-CG2 3.59Å; M40-V545 VanDerWaalsContact SD-CG2 3.59Å; Y90-V545 HydrophobicContact CD1-CB 3.91Å; Y90-V545 HydrophobicContact CD1-CG1 3.58Å; Y90-V545 HydrophobicContact CE1-CB 3.77Å; Y90-V545 HydrophobicContact CE1-CG1 3.67Å; I93-V545 HydrophobicContact CD1-CG1 3.52Å; V545-T547 HydrophobicContact CG1-CG2 4.17Å
546	V	95.6	Very high	79.9	Confident	90 Å²	90	85.1 Å²	85.1	55%	0.545	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.7	-177.9	-176.1	0	0	0	0	108.6	K28 D29 V30	K28-V546 HydrophobicContact CB-CG1 3.67Å; K28-V546 HydrophobicContact CD-CG1 4.38Å; K28-V546 HydrophobicContact CG-CG1 3.96Å; D29-V546 CarbonylContact O-C 3.52Å; D29-V546 WeakPolarHBondContact O-CA 3.43Å; V30-V546 HydrophobicContact CG1-CG2 4.18Å; V30-V546 HydrophobicContact CG2-CG1 4.26Å; V30-V546 HydrophobicContact CG2-CG2 4.1Å
547	T	93.9	Very high	77.5	Confident	9 Å²	9	90.9 Å²	90.9	6%	0.055	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.6	179.7	69.8	0	0	0	0	111.4	K28 D29 K89 Y90 I93 V545	K28-T547 CarbonylContact C-O 3.55Å; K28-T547 WeakPolarHBondContact CA-O 3.34Å; K28-T547 WeakPolarHBondContact CB-O 3.2Å; K28-T547 WeakPolarHBondContact CD-O 3.25Å; D29-T547 PolarHBondContact N-O 3.44Å; D29-T547 PolarHBondContact O-N 2.71Å; K89-T547 HydrophobicContact CB-CG2 3.73Å; Y90-T547 HydrophobicContact CD1-CG2 3.88Å; Y90-T547 HydrophobicContact CD2-CG2 4.3Å; Y90-T547 HydrophobicContact CE1-CG2 3.6Å; Y90-T547 HydrophobicContact CE2-CG2 4.06Å; Y90-T547 HydrophobicContact CG-CG2 4.2Å; Y90-T547 PolarHBondContact OH-OG1 3.33Å; I93-T547 HydrophobicContact CD1-CG2 3.72Å; V545-T547 HydrophobicContact CG1-CG2 4.17Å
548	E	90.9	Very high	75	Confident	95 Å²	95	95.3 Å²	95.3	44%	0.444	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.1	170.3	-46.3	-149.8	124.9	0	0	110.1	K28	K28-E548 HydrophobicContact CD-CG 4.49Å; K28-E548 IonicContact NZ-OE1 3.67Å; K28-E548 PolarHBondContact NZ-OE1 3.24Å
549	I	85.1	Confident	72.3	Confident	89 Å²	89	94.1 Å²	94.1	46%	0.456	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-64.1	127.8	171.9	-66	179.8	0	0	0	108.7	A27 D29 K551	A27-I549 HydrophobicContact CB-CD1 3.56Å; A27-I549 HydrophobicContact CB-CG1 4.47Å; A27-I549 WeakPolarHBondContact O-CG1 3.22Å; A27-I549 PolarHBondContact O-N 3.22Å; D29-I549 HydrophobicContact CB-CG1 4.27Å; I549-K551 PolarHBondContact O-N 3.04Å
550	P	76.4	Confident	69.9	Low	95 Å²	95	103.3 Å²	103.3	62%	0.617	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-54.8	131.6	175.6	-23.1	32.5	0	0	0	110.3	E552	P550-E552 PolarHBondContact O-N 3.18Å
551	K	72.1	Confident	67.6	Low	153 Å²	153	106.7 Å²	106.7	67%	0.665	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-69.5	125.8	169.4	-66.6	177.4	-177.3	171.7	0	107.2	I549 E553	I549-K551 PolarHBondContact O-N 3.04Å; K551-E553 PolarHBondContact O-N 3.21Å; K551-E553 VanDerWaalsContact O-N 3.14Å
552	E	59.8	Low	65.1	Low	176 Å²	176	108.5 Å²	108.5	82%	0.822	63%	0.625	S	S	*	*			trans	-62.3	113.9	154.7	-72.4	-177.4	167.5	0	0	106.2	P550 K554	P550-E552 PolarHBondContact O-N 3.18Å; E552-K554 PolarHBondContact O-N 2.84Å
553	E	49.8	Very low	62.3	Low	183 Å²	183	116.7 Å²	116.7	86%	0.855	66%	0.661	S	S	*	*			trans	-63.3	95.7	162.4	-74	-176.4	169.9	0	0	106	K551 E555	K551-E553 PolarHBondContact O-N 3.21Å; K551-E553 VanDerWaalsContact O-N 3.14Å; E553-E555 VanDerWaalsContact C-N 3.33Å; E553-E555 PolarHBondContact O-N 2.84Å
554	K	41.2	Very low	59.6	Low	183 Å²	183	115.6 Å²	115.6	80%	0.796	68%	0.679	S	S	*	*			trans	-60.1	108.7	159.5	-76.3	-173.4	176.6	-176.7	0	105	E552 M556	E552-K554 PolarHBondContact O-N 2.84Å; K554-M556 PolarHBondContact O-N 2.63Å
555	E	38.1	Very low	56.7	Low	182 Å²	182	117 Å²	117	85%	0.85	70%	0.699	S	S	*	*			trans	-42.7	112.5	162.8	-71.7	-177	161.7	0	0	106.5	E553 P557	E553-E555 VanDerWaalsContact C-N 3.33Å; E553-E555 PolarHBondContact O-N 2.84Å; E555-P557 WeakPolarHBondContact O-CD 3.4Å; E555-P557 VanDerWaalsContact O-N 3.15Å
556	M	37.3	Very low	54.1	Low	172 Å²	172	126.2 Å²	126.2	85%	0.847	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-57.6	123.8	169	-73.5	-170.9	-77.9	0	0	105	K554 A558	K554-M556 PolarHBondContact O-N 2.63Å; M556-A558 PolarHBondContact O-N 2.92Å
557	P	44.3	Very low	51.1	Low	125 Å²	125	125.6 Å²	125.6	81%	0.812	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-53.4	118.1	178	-20.8	29.7	0	0	0	107.1	E555 G559	E555-P557 WeakPolarHBondContact O-CD 3.4Å; E555-P557 VanDerWaalsContact O-N 3.15Å; P557-G559 PolarHBondContact O-N 3.41Å
558	A	42.6	Very low	48.4	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-47.1	121.8	170.7	0	0	0	0	0	106.7	M556 M560	M556-A558 PolarHBondContact O-N 2.92Å; A558-M560 PolarHBondContact O-N 3.43Å
559	G	38.6	Very low	45.7	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-48.1	128.2	-178	0	0	0	0	0	109.4	P557 G561	P557-G559 PolarHBondContact O-N 3.41Å; G559-G561 VanDerWaalsContact C-N 3.31Å; G559-G561 PolarHBondContact O-N 3.49Å
560	M	42	Very low	43.3	Very low	208 Å²	208	133.2 Å²	133.2	100%	1.025	83%	0.833	S	S	*	*			trans	-53.9	99.3	167.9	-85.6	-176.9	165.6	0	0	108.6	A558	A558-M560 PolarHBondContact O-N 3.43Å
561	G	41.3	Very low	41.3	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	85%	0.846	S	S	*	*			trans	-137.8	111.7	168.1	0	0	0	0	0	108.1	G559	G559-G561 VanDerWaalsContact C-N 3.31Å; G559-G561 PolarHBondContact O-N 3.49Å
562	G	41.1	Very low	39.4	Very low	82 Å²	82	129.5 Å²	129.5	85%	0.845	86%	0.855	S	S	*	*			trans	110.1	79.6	156.9	0	0	0	0	0	117.6
563	M	35.7	Very low	38.5	Very low	198 Å²	198	130.4 Å²	130.4	98%	0.975	86%	0.861	S	S	*	*			trans	-132.8	113.8	140.4	-96.8	174.5	161.7	0	0	104.2
564	G	36	Very low	37.9	Very low	84 Å²	84	125.2 Å²	125.2	87%	0.866	86%	0.857	S	S	*	*			cis	91.3	92.3	41.1	0	0	0	0	0	108
565	G	33.3	Very low	37.9	Very low	82 Å²	82	129.8 Å²	129.8	85%	0.845	88%	0.878	S	S	*	*			trans	-173.1	74.9	-176.3	0	0	0	0	0	114.3
566	M	40.1	Very low	37.8	Very low	204 Å²	204	127.2 Å²	127.2	100%	1.005	88%	0.879	S	S	*	*			trans	-64.4	130.2	171.7	-164.2	159.2	172.4	0	0	110.7
567	G	34.2	Very low	37.9	Very low	78 Å²	78	124.8 Å²	124.8	80%	0.804	88%	0.881	S	S	*	*			trans	-156.8	107.2	172.2	0	0	0	0	0	110
568	G	35.9	Very low	37.5	Very low	75 Å²	75	124.8 Å²	124.8	77%	0.773	88%	0.884	S	S	*	*			trans	-92.1	160	-177	0	0	0	0	0	114.2
569	M	35.6	Very low	37.2	Very low	198 Å²	198	126.6 Å²	126.6	98%	0.975	89%	0.89	S	S	*	*			trans	174.6	123.4	140	-110.9	171.8	131.4	0	0	111.7
570	G	33.5	Very low	37.1	Very low	80 Å²	80	130 Å²	130	83%	0.825	90%	0.899	S	S	*	*			trans	81.3	115.5	136.1	0	0	0	0	0	116.1
571	G	35.5	Very low	36.8	Very low	88 Å²	88	124.8 Å²	124.8	91%	0.907	89%	0.891	S	S	*	*				100.8	107.8	59	0	0	0	0	0	108.3
572	G	32.3	Very low	36.5	Very low	82 Å²	82	128.5 Å²	128.5	85%	0.845	90%	0.901	S	S	*	*			trans	174.9	98.1	177.5	0	0	0	0	0	113.9
573	M	40.4	Very low	36.1	Very low	194 Å²	194	132.1 Å²	132.1	96%	0.956	91%	0.905	S	S	*	*			trans	-58.2	154	168	-76.8	169.4	155.1	0	0	112.9
574	G	36.8	Very low	36.2	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	90%	0.899	S	S	*	*			trans	-176.1	114.3	158.5	0	0	0	0	0	110.1
575	F	40.4	Very low	36.2	Very low	280 Å²	280	130.5 Å²	130.5	100%	1.228	90%	0.902	S	S	*	*			trans	-53.1	0	-175.8	-77	-93.1	0	0	0	115.7

Retrieved 575 of 575 residues in 377.4 ms (Link to these results)

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