A0A093GWH1_STRCA 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 , UniProt , Accession A0A093GWH1, Species STRCA (Struthio camelus australis), Gene n/a, Length 573 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	35.5	Very low	236 Å²	236	179.9 Å²	179.9	100%	1.163	88%	0.882	S	S	*	*				0	142.8	0	-99.3	-175.2	-178.1	0	0	108.7
2	L	26.9	Very low	35.7	Very low	160 Å²	160	183.8 Å²	183.8	84%	0.838	88%	0.88	S	S	*	*			trans	77.5	133.4	175.7	-63	147.3	0	0	0	115.9
3	R	31.6	Very low	35.9	Very low	232 Å²	232	178.2 Å²	178.2	88%	0.875	87%	0.868	S	S	*	*			cis	-167.9	127.4	-31.9	-124.7	-173.2	-169	-176.4	3.1	103.8
4	L	34.8	Very low	36.3	Very low	180 Å²	180	175 Å²	175	94%	0.942	86%	0.864	S	S	*	*			trans	-75.6	139.4	165.6	-100.7	98.5	0	0	0	109.5
5	S	34.4	Very low	36.4	Very low	117 Å²	117	170.3 Å²	170.3	82%	0.818	86%	0.855	S	S	*	*			trans	-130.2	126.7	157.3	63.2	0	0	0	0	111.2
6	T	37.3	Very low	36.8	Very low	122 Å²	122	173.2 Å²	173.2	75%	0.748	85%	0.852	S	S	*	*			trans	-44.8	138.8	177	38.8	0	0	0	0	118.4
7	L	39.8	Very low	37	Very low	155 Å²	155	168.2 Å²	168.2	81%	0.812	85%	0.845	S	S	*	*			trans	47.1	115.5	130.4	-69.6	153	0	0	0	119.2
8	L	32	Very low	37.3	Very low	178 Å²	178	167.2 Å²	167.2	93%	0.932	84%	0.842	S	S	*	*				-160.4	118.1	121.7	-104.8	152.7	0	0	0	111.4	R10	L8-R10 PolarHBondContact O-N 3.44Å
9	R	41.1	Very low	37.4	Very low	229 Å²	229	162.7 Å²	162.7	86%	0.864	83%	0.833	S	S	*	*			trans	-70.5	112.6	177	-163	179.6	-170.9	-170	3.1	108.7
10	R	34.5	Very low	37.7	Very low	236 Å²	236	159.7 Å²	159.7	89%	0.891	83%	0.825	S	S	*	*			trans	-131.5	105.3	155	-101.7	-174.6	174.1	-173.6	-1.6	107.9	L8 R12	L8-R10 PolarHBondContact O-N 3.44Å; R10-R12 PolarHBondContact O-N 3.19Å
11	T	40.3	Very low	37.9	Very low	134 Å²	134	160.5 Å²	160.5	82%	0.822	83%	0.825	S	S	*	*			trans	-51.8	103.4	165	43.9	0	0	0	0	109.1
12	R	37.3	Very low	38	Very low	226 Å²	226	156.9 Å²	156.9	85%	0.853	81%	0.809	S	S	*	*			trans	-88.6	135.1	160.6	-79.4	-177.5	169.9	178.6	-2.6	107.2	R10 V14	R10-R12 PolarHBondContact O-N 3.19Å; R12-V14 PolarHBondContact O-N 2.78Å
13	P	39	Very low	38.8	Very low	111 Å²	111	155.1 Å²	155.1	72%	0.721	81%	0.805	S	S	*	*			trans	-63.1	130.9	168.7	29.6	-30.1	0	0	0	106.5	S15	P13-S15 PolarHBondContact O-N 3.07Å
14	V	40.6	Very low	39.8	Very low	134 Å²	134	153.1 Å²	153.1	81%	0.812	80%	0.798	S	S	*	*			trans	-69.3	82	166.1	179.2	0	0	0	0	105.9	R12 R16	R12-V14 PolarHBondContact O-N 2.78Å; V14-R16 HydrophobicContact CG1-CB 4.38Å; V14-R16 PolarHBondContact O-N 2.72Å
15	S	38.1	Very low	40.9	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	79%	0.792	S	S	*	*			trans	-65.7	90.2	153.7	21.2	0	0	0	0	105.3	P13 A17	P13-S15 PolarHBondContact O-N 3.07Å; S15-A17 PolarHBondContact O-N 2.6Å
16	R	42.4	Very low	42.8	Very low	217 Å²	217	148.5 Å²	148.5	82%	0.819	77%	0.772	S	S	*	*			trans	-63.6	77.9	161.2	-148.5	179.6	-166.3	-178.6	2.7	105.2	V14 L18	V14-R16 HydrophobicContact CG1-CB 4.38Å; V14-R16 PolarHBondContact O-N 2.72Å; R16-L18 PolarHBondContact O-N 2.84Å
17	A	40.8	Very low	45.1	Very low	89 Å²	89	146.1 Å²	146.1	74%	0.736	77%	0.765	S	S	*	*			trans	-62.9	91.3	158.9	0	0	0	0	0	104.2	S15 A19	S15-A17 PolarHBondContact O-N 2.6Å; A17-A19 PolarHBondContact O-N 3.32Å
18	L	42.2	Very low	47.5	Very low	149 Å²	149	143.6 Å²	143.6	78%	0.78	75%	0.747	S	S	*	*			trans	-48.7	100.4	151.6	-72.8	162	0	0	0	103.7	R16 P20	R16-L18 PolarHBondContact O-N 2.84Å; L18-P20 WeakPolarHBondContact O-CD 3.48Å
19	A	40.4	Very low	50.4	Low	82 Å²	82	138.2 Å²	138.2	68%	0.678	72%	0.719	S	S	*	*			trans	-53.1	113.6	161.6	0	0	0	0	0	103.4	A17 H21	A17-A19 PolarHBondContact O-N 3.32Å; A19-H21 PolarHBondContact O-N 2.87Å
20	P	42.8	Very low	52.9	Low	103 Å²	103	130.1 Å²	130.1	67%	0.669	70%	0.695	S	S	*	*			trans	-58	120.8	168.4	25.7	-29	0	0	0	102.8	L18 L22	L18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-L22 PolarHBondContact O-N 2.65Å
21	H	41.1	Very low	55.7	Low	177 Å²	177	122.3 Å²	122.3	82%	0.819	67%	0.667	S	S	*	*			trans	-47.3	107.6	156.9	-79.1	-79	0	0	0	104.1	A19 T23	A19-H21 PolarHBondContact O-N 2.87Å; H21-T23 PolarHBondContact O-N 2.83Å
22	L	41.4	Very low	58.3	Low	159 Å²	159	122.3 Å²	122.3	83%	0.832	66%	0.656	S	S	*	*			trans	-64.6	81.2	169.1	-83.3	161.5	0	0	0	104.2	P20 R24	P20-L22 PolarHBondContact O-N 2.65Å; L22-R24 PolarHBondContact O-N 2.92Å
23	T	43.3	Very low	60.8	Low	124 Å²	124	112 Å²	112	76%	0.761	62%	0.62	S	S	*	*			trans	-59	92.7	155.6	33.3	0	0	0	0	103.8	H21 A25	H21-T23 PolarHBondContact O-N 2.83Å; T23-A25 PolarHBondContact O-N 2.82Å
24	R	52	Low	63.2	Low	190 Å²	190	109.2 Å²	109.2	72%	0.717	61%	0.607	S	S	*	*			trans	-58.5	92.2	162.4	-84.4	-175.4	174.1	178.8	-1.4	105.6	L22 Y26	L22-R24 PolarHBondContact O-N 2.92Å; R24-Y26 HydrophobicContact CB-CD2 4.28Å; R24-Y26 HydrophobicContact CB-CE1 4.43Å; R24-Y26 HydrophobicContact CB-CE2 3.78Å; R24-Y26 VanDerWaalsContact CD-OH 3.24Å; R24-Y26 WeakPolarHBondContact CD-OH 3.34Å; R24-Y26 PolarHBondContact NH1-OH 2.81Å; R24-Y26 VanDerWaalsContact O-CD2 3.32Å; R24-Y26 WeakPolarHBondContact O-CD2 3.25Å; R24-Y26 PolarHBondContact O-N 2.67Å
25	A	58.8	Low	65.5	Low	99 Å²	99	108.6 Å²	108.6	82%	0.818	60%	0.599	S	S	*	*			trans	-71.3	92.2	166.3	0	0	0	0	0	105.7	T23	T23-A25 PolarHBondContact O-N 2.82Å
26	Y	74.3	Confident	68.1	Low	100 Å²	100	103.7 Å²	103.7	39%	0.392	57%	0.565	S	S	.	*			trans	-64.3	137.6	171.2	-64.4	-80.4	0	0	0	108.4	R24	R24-Y26 HydrophobicContact CB-CD2 4.28Å; R24-Y26 HydrophobicContact CB-CE1 4.43Å; R24-Y26 HydrophobicContact CB-CE2 3.78Å; R24-Y26 VanDerWaalsContact CD-OH 3.24Å; R24-Y26 WeakPolarHBondContact CD-OH 3.34Å; R24-Y26 PolarHBondContact NH1-OH 2.81Å; R24-Y26 VanDerWaalsContact O-CD2 3.32Å; R24-Y26 WeakPolarHBondContact O-CD2 3.25Å; R24-Y26 PolarHBondContact O-N 2.67Å
27	A	84.9	Confident	70.4	Confident	73 Å²	73	94.3 Å²	94.3	60%	0.603	53%	0.529	S	S	*	.			trans	-53.1	142.5	169.8	0	0	0	0	0	109.5	V549	A27-V549 HydrophobicContact CB-CG2 3.99Å; A27-V549 VanDerWaalsContact O-CG2 3.26Å; A27-V549 WeakPolarHBondContact O-CG2 3.21Å; A27-V549 PolarHBondContact O-N 2.95Å
28	K	91.3	Very high	72.9	Confident	101 Å²	101	92.4 Å²	92.4	44%	0.439	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.1	179.5	-58.9	-62.5	-177.8	173.4	0	108.9	V546 T547 E548	K28-V546 HydrophobicContact CB-CG1 3.74Å; K28-V546 HydrophobicContact CG-CG1 4.11Å; K28-T547 CarbonylContact C-O 3.45Å; K28-T547 WeakPolarHBondContact CA-O 3.15Å; K28-T547 WeakPolarHBondContact CB-O 3.39Å; K28-T547 WeakPolarHBondContact CD-O 3.31Å; K28-E548 IonicContact NZ-OE1 3.85Å; K28-E548 PolarHBondContact NZ-OE1 2.75Å
29	D	91.8	Very high	75.4	Confident	66 Å²	66	86.7 Å²	86.7	35%	0.353	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139	169.4	-173.1	25.1	0	0	0	109	Y90 V546 T547 V549	D29-Y90 VanDerWaalsContact CG-OH 3.27Å; D29-Y90 PolarHBondContact O-OH 3.05Å; D29-Y90 VanDerWaalsContact O-OH 3.11Å; D29-Y90 WeakPolarHBondContact OD2-CE2 3.1Å; D29-Y90 PolarHBondContact OD2-OH 3Å; D29-V546 WeakPolarHBondContact O-CA 3.42Å; D29-T547 PolarHBondContact N-O 2.7Å; D29-T547 PolarHBondContact O-N 2.82Å; D29-V549 HydrophobicContact CB-CG2 4.41Å
30	V	94.3	Very high	78	Confident	58 Å²	58	82.9 Å²	82.9	35%	0.352	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125	-174.6	-170.9	0	0	0	0	109.5	F32 Y90 V545 V546	V30-F32 HydrophobicContact CB-CE2 4.27Å; V30-F32 HydrophobicContact CB-CZ 4.46Å; V30-F32 HydrophobicContact CG1-CD2 4.3Å; V30-F32 HydrophobicContact CG1-CE1 4.08Å; V30-F32 HydrophobicContact CG1-CE2 3.56Å; V30-F32 HydrophobicContact CG1-CZ 3.43Å; V30-F32 VanDerWaalsContact CG1-CZ 3.43Å; V30-Y90 PolarHBondContact N-OH 2.68Å; V30-V545 WeakPolarHBondContact CA-O 3.28Å; V30-V546 HydrophobicContact CG1-CG2 4.24Å; V30-V546 HydrophobicContact CG2-CG1 4.24Å; V30-V546 HydrophobicContact CG2-CG2 4.2Å
31	K	93.9	Very high	80.4	Confident	72 Å²	72	79.5 Å²	79.5	31%	0.313	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.2	172.3	-68.5	-174.8	-178	-164.2	0	110.3	A36 L39 Y90 A544 V545	K31-A36 HydrophobicContact CB-CB 3.9Å; K31-L39 HydrophobicContact CD-CD1 3.68Å; K31-L39 VanDerWaalsContact NZ-CD1 3.32Å; K31-Y90 HydrophobicContact CB-CD1 4.38Å; K31-Y90 HydrophobicContact CB-CE1 3.64Å; K31-Y90 HydrophobicContact CD-CD1 4.25Å; K31-Y90 HydrophobicContact CD-CD2 4.16Å; K31-Y90 HydrophobicContact CD-CE1 3.9Å; K31-Y90 HydrophobicContact CD-CE2 3.8Å; K31-Y90 HydrophobicContact CD-CG 4.39Å; K31-Y90 HydrophobicContact CG-CE1 3.8Å; K31-Y90 HydrophobicContact CG-CE2 4.15Å; K31-Y90 PolarHBondContact N-OH 3.18Å; K31-A544 WeakPolarHBondContact O-CA 3.05Å; K31-V545 PolarHBondContact N-O 3.5Å; K31-V545 PolarHBondContact O-N 2.75Å
32	F	93.1	Very high	83	Confident	134 Å²	134	75.4 Å²	75.4	59%	0.588	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.2	-174.6	-61.7	-88.3	0	0	0	111.4	V30 E543 A544	V30-F32 HydrophobicContact CB-CE2 4.27Å; V30-F32 HydrophobicContact CB-CZ 4.46Å; V30-F32 HydrophobicContact CG1-CD2 4.3Å; V30-F32 HydrophobicContact CG1-CE1 4.08Å; V30-F32 HydrophobicContact CG1-CE2 3.56Å; V30-F32 HydrophobicContact CG1-CZ 3.43Å; V30-F32 VanDerWaalsContact CG1-CZ 3.43Å; F32-E543 CarbonylContact C-O 3.5Å; F32-E543 VanDerWaalsContact CA-O 3.31Å; F32-E543 WeakPolarHBondContact CA-O 3.47Å; F32-A544 HydrophobicContact CD1-CB 3.67Å; F32-A544 HydrophobicContact CE1-CB 3.75Å
33	G	90.3	Very high	85.6	Confident	9 Å²	9	67.8 Å²	67.8	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	56.1	-135.9	166.7	0	0	0	0	0	114.9	D35 A36 R37 E543	G33-D35 VanDerWaalsContact C-N 3.34Å; G33-D35 PolarHBondContact O-N 3.01Å; G33-A36 PolarHBondContact O-N 3.39Å; G33-R37 VanDerWaalsContact C-CZ 3.49Å; G33-R37 PolarHBondContact O-N 3.44Å; G33-R37 VanDerWaalsContact O-N 3.16Å; G33-E543 WeakPolarHBondContact CA-OE1 3.39Å; G33-E543 PolarHBondContact N-O 3.27Å; G33-E543 PolarHBondContact N-OE1 3.18Å
34	A	88.9	Confident	88.2	Confident	54 Å²	54	62 Å²	62	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-36.7	-171.4	0	0	0	0	0	113.3	R37 A38	A34-R37 PolarHBondContact O-N 2.91Å; A34-A38 WeakPolarHBondContact O-CB 3.48Å; A34-A38 PolarHBondContact O-N 3.49Å
35	D	90.8	Very high	90.3	Very high	120 Å²	120	54.5 Å²	54.5	64%	0.642	31%	0.308	S	S	*	.	H	α-helix	trans	-65.4	-42.6	-179.2	-70	-12.3	0	0	0	111.7	G33 L39	G33-D35 VanDerWaalsContact C-N 3.34Å; G33-D35 PolarHBondContact O-N 3.01Å; D35-L39 WeakPolarHBondContact O-CG 3.29Å; D35-L39 PolarHBondContact O-N 3.24Å
36	A	92.2	Very high	92.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-45.1	175.9	0	0	0	0	0	111.1	K31 G33 L39 M40 V545	K31-A36 HydrophobicContact CB-CB 3.9Å; G33-A36 PolarHBondContact O-N 3.39Å; A36-L39 PolarHBondContact O-N 2.87Å; A36-M40 WeakPolarHBondContact O-CG 3.42Å; A36-M40 PolarHBondContact O-N 2.92Å; A36-V545 HydrophobicContact CB-CB 4.25Å; A36-V545 HydrophobicContact CB-CG2 3.87Å
37	R	91	Very high	93.2	Very high	21 Å²	21	49 Å²	49	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-42.3	177.8	-71.9	-172.3	-73.3	-91.1	5.2	112.5	G33 A34 L39 M40 L41 F128 A542 E543	G33-R37 VanDerWaalsContact C-CZ 3.49Å; G33-R37 PolarHBondContact O-N 3.44Å; G33-R37 VanDerWaalsContact O-N 3.16Å; A34-R37 PolarHBondContact O-N 2.91Å; R37-L39 PolarHBondContact O-N 3.04Å; R37-M40 HydrophobicContact CG-CE 4.24Å; R37-M40 PolarHBondContact O-N 2.76Å; R37-L41 WeakPolarHBondContact O-CB 3.41Å; R37-L41 PolarHBondContact O-N 3.27Å; R37-F128 HydrophobicContact CB-CD1 4.16Å; R37-F128 HydrophobicContact CB-CD2 4.36Å; R37-F128 HydrophobicContact CB-CE1 4.05Å; R37-F128 HydrophobicContact CB-CE2 4.3Å; R37-F128 HydrophobicContact CB-CG 4.28Å; R37-F128 HydrophobicContact CB-CZ 4.12Å; R37-F128 VanDerWaalsContact CD-CD1 3.48Å; R37-F128 HydrophobicContact CG-CD1 3.95Å; R37-F128 HydrophobicContact CG-CE1 3.65Å; R37-F128 HydrophobicContact CG-CZ 4.07Å; R37-A542 PolarHBondContact NH1-O 2.97Å; R37-E543 IonicContact CZ-OE2 2.86Å; R37-E543 IonicContact NH1-OE2 2.65Å; R37-E543 PolarHBondContact NH1-OE2 3.43Å; R37-E543 IonicContact NH2-OE2 3.16Å
38	A	92.6	Very high	93.8	Very high	49 Å²	49	45.6 Å²	45.6	41%	0.405	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-42.3	178.4	0	0	0	0	0	112	A34 L41 Q42	A34-A38 WeakPolarHBondContact O-CB 3.48Å; A34-A38 PolarHBondContact O-N 3.49Å; A38-L41 PolarHBondContact O-N 3.48Å; A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 2.98Å
39	L	94.6	Very high	94	Very high	28 Å²	28	44.5 Å²	44.5	15%	0.147	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-43.2	176.7	-71.6	167.6	0	0	0	112.3	K31 D35 A36 R37 L41 Q42 G43 Y90 K91	K31-L39 HydrophobicContact CD-CD1 3.68Å; K31-L39 VanDerWaalsContact NZ-CD1 3.32Å; D35-L39 WeakPolarHBondContact O-CG 3.29Å; D35-L39 PolarHBondContact O-N 3.24Å; A36-L39 PolarHBondContact O-N 2.87Å; R37-L39 PolarHBondContact O-N 3.04Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L41 PolarHBondContact O-N 3.5Å; L39-Q42 PolarHBondContact O-N 2.97Å; L39-G43 PolarHBondContact O-N 2.86Å; L39-Y90 HydrophobicContact CD1-CD2 4.32Å; L39-Y90 HydrophobicContact CD1-CG 4.11Å; L39-K91 WeakPolarHBondContact O-CG 3.18Å
40	M	94.3	Very high	94.3	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-44	174.6	-71.2	-172.8	-63.9	0	0	111.3	A36 R37 Q42 G43 V44 I93 F128 L539 A542 V545	A36-M40 WeakPolarHBondContact O-CG 3.42Å; A36-M40 PolarHBondContact O-N 2.92Å; R37-M40 HydrophobicContact CG-CE 4.24Å; R37-M40 PolarHBondContact O-N 2.76Å; M40-Q42 VanDerWaalsContact C-N 3.31Å; M40-Q42 PolarHBondContact O-N 3.41Å; M40-G43 WeakPolarHBondContact O-CA 3.47Å; M40-G43 PolarHBondContact O-N 3.33Å; M40-V44 WeakPolarHBondContact O-CG2 3.07Å; M40-V44 PolarHBondContact O-N 3.15Å; M40-I93 HydrophobicContact SD-CG2 4.15Å; M40-F128 HydrophobicContact CE-CZ 4.27Å; M40-L539 HydrophobicContact CB-CD1 4.47Å; M40-L539 HydrophobicContact CE-CD1 3.86Å; M40-L539 HydrophobicContact SD-CD1 3.62Å; M40-A542 HydrophobicContact CE-CB 4.23Å; M40-V545 HydrophobicContact CE-CG2 3.62Å; M40-V545 HydrophobicContact CG-CG2 4.46Å; M40-V545 HydrophobicContact SD-CG2 3.54Å; M40-V545 VanDerWaalsContact SD-CG2 3.54Å
41	L	94.2	Very high	94.4	Very high	31 Å²	31	40.1 Å²	40.1	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-39	178.7	-173.6	61.3	0	0	0	112	R37 A38 L39 G43 V44 D45 R125 F128	R37-L41 WeakPolarHBondContact O-CB 3.41Å; R37-L41 PolarHBondContact O-N 3.27Å; A38-L41 PolarHBondContact O-N 3.48Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L41 PolarHBondContact O-N 3.5Å; L41-G43 VanDerWaalsContact C-N 3.26Å; L41-G43 PolarHBondContact O-N 2.84Å; L41-V44 HydrophobicContact CD1-CG1 4.47Å; L41-V44 WeakPolarHBondContact O-CB 3.31Å; L41-V44 PolarHBondContact O-N 3.46Å; L41-D45 WeakPolarHBondContact O-CB 3.4Å; L41-D45 PolarHBondContact O-N 3.35Å; L41-R125 HydrophobicContact CD1-CB 4.09Å; L41-R125 HydrophobicContact CD2-CG 4.38Å; L41-F128 HydrophobicContact CB-CD2 3.87Å; L41-F128 HydrophobicContact CB-CE2 3.9Å; L41-F128 HydrophobicContact CD1-CD2 4Å; L41-F128 HydrophobicContact CD1-CE2 4.29Å; L41-F128 HydrophobicContact CD2-CD2 4.17Å; L41-F128 HydrophobicContact CG-CD2 4.23Å
42	Q	96.3	Very high	94.5	Very high	91 Å²	91	37.3 Å²	37.3	43%	0.425	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-37	174	-73	176.9	15.5	0	0	112.6	A38 L39 M40 L46 K91	A38-Q42 WeakPolarHBondContact O-CG 3.4Å; A38-Q42 PolarHBondContact O-N 2.98Å; L39-Q42 PolarHBondContact O-N 2.97Å; M40-Q42 VanDerWaalsContact C-N 3.31Å; M40-Q42 PolarHBondContact O-N 3.41Å; Q42-L46 WeakPolarHBondContact O-CB 3.47Å; Q42-L46 PolarHBondContact O-N 3.41Å; Q42-K91 HydrophobicContact CB-CD 4.31Å; Q42-K91 HydrophobicContact CB-CG 4.44Å
43	G	96.1	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-43.3	174.8	0	0	0	0	0	113	L39 M40 L41 L46 L47 K91	L39-G43 PolarHBondContact O-N 2.86Å; M40-G43 WeakPolarHBondContact O-CA 3.47Å; M40-G43 PolarHBondContact O-N 3.33Å; L41-G43 VanDerWaalsContact C-N 3.26Å; L41-G43 PolarHBondContact O-N 2.84Å; G43-L46 PolarHBondContact O-N 3.2Å; G43-L47 PolarHBondContact O-N 3.1Å; G43-L47 VanDerWaalsContact O-N 3.13Å; G43-K91 WeakPolarHBondContact CA-O 3.21Å
44	V	96.1	Very high	94.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-48.9	173	167.8	0	0	0	0	110.8	M40 L41 A48 G94 V98 R121 L539	M40-V44 WeakPolarHBondContact O-CG2 3.07Å; M40-V44 PolarHBondContact O-N 3.15Å; L41-V44 HydrophobicContact CD1-CG1 4.47Å; L41-V44 WeakPolarHBondContact O-CB 3.31Å; L41-V44 PolarHBondContact O-N 3.46Å; V44-A48 WeakPolarHBondContact O-CB 3.5Å; V44-A48 PolarHBondContact O-N 3.34Å; V44-G94 WeakPolarHBondContact CG2-O 3.39Å; V44-V98 HydrophobicContact CB-CG2 4.15Å; V44-V98 HydrophobicContact CG1-CG2 3.86Å; V44-V98 HydrophobicContact CG2-CG2 3.76Å; V44-R121 HydrophobicContact CG1-CB 4.1Å; V44-R121 HydrophobicContact CG1-CG 4.01Å; V44-L539 HydrophobicContact CG2-CD2 3.92Å
45	D	96.8	Very high	95.1	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-47.3	179.7	-83.1	-36.9	0	0	0	111.4	L41 L47 A48 D49 R121	L41-D45 WeakPolarHBondContact O-CB 3.4Å; L41-D45 PolarHBondContact O-N 3.35Å; D45-L47 PolarHBondContact O-N 2.97Å; D45-A48 PolarHBondContact O-N 3.08Å; D45-D49 VanDerWaalsContact O-CB 3.24Å; D45-D49 WeakPolarHBondContact O-CB 3.47Å; D45-D49 VanDerWaalsContact O-CG 3.23Å; D45-D49 PolarHBondContact O-N 2.88Å; D45-R121 IonicContact OD1-CZ 2.7Å; D45-R121 VanDerWaalsContact OD1-CZ 3.26Å; D45-R121 IonicContact OD1-NE 3.53Å; D45-R121 PolarHBondContact OD1-NE 3.49Å; D45-R121 IonicContact OD1-NH2 2.74Å; D45-R121 PolarHBondContact OD1-NH2 3Å
46	L	97.3	Very high	95.2	Very high	84 Å²	84	26.5 Å²	26.5	44%	0.44	16%	0.157	S	C	.	.	H	α-helix	trans	-60.9	-48.6	-179.1	-175.2	160.3	0	0	0	111.7	Q42 G43 A50 I84 L86	Q42-L46 WeakPolarHBondContact O-CB 3.47Å; Q42-L46 PolarHBondContact O-N 3.41Å; G43-L46 PolarHBondContact O-N 3.2Å; L46-A50 PolarHBondContact O-N 3.45Å; L46-A50 VanDerWaalsContact O-N 3.14Å; L46-I84 HydrophobicContact CD2-CG2 3.98Å; L46-L86 HydrophobicContact CD1-CD2 3.93Å; L46-L86 HydrophobicContact CD2-CD2 3.86Å
47	L	96.5	Very high	95.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-45.9	178.4	-176.9	153.2	0	0	0	110.8	G43 D45 D49 A50 V51 A81 I84 A95 V98 Q99 T117	G43-L47 PolarHBondContact O-N 3.1Å; G43-L47 VanDerWaalsContact O-N 3.13Å; D45-L47 PolarHBondContact O-N 2.97Å; L47-D49 PolarHBondContact O-N 2.87Å; L47-A50 PolarHBondContact O-N 3.4Å; L47-V51 HydrophobicContact CD2-CG2 4.05Å; L47-V51 WeakPolarHBondContact O-CG2 3.35Å; L47-V51 PolarHBondContact O-N 3.28Å; L47-A81 HydrophobicContact CD1-CB 4.39Å; L47-A81 HydrophobicContact CD2-CB 4.14Å; L47-I84 HydrophobicContact CB-CD1 4.48Å; L47-I84 HydrophobicContact CB-CG2 4.5Å; L47-I84 HydrophobicContact CD1-CB 4.37Å; L47-I84 HydrophobicContact CD1-CG2 4.49Å; L47-I84 HydrophobicContact CG-CD1 4.17Å; L47-A95 HydrophobicContact CB-CB 4.27Å; L47-A95 HydrophobicContact CD1-CB 3.94Å; L47-A95 WeakPolarHBondContact CD1-O 3.44Å; L47-V98 HydrophobicContact CD2-CB 4.07Å; L47-V98 HydrophobicContact CD2-CG1 3.63Å; L47-Q99 HydrophobicContact CD1-CB 4.23Å; L47-T117 HydrophobicContact CD2-CG2 3.96Å
48	A	96.8	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-34.8	-178.7	0	0	0	0	0	112.7	V44 D45 V51 A52 T117 R121	V44-A48 WeakPolarHBondContact O-CB 3.5Å; V44-A48 PolarHBondContact O-N 3.34Å; D45-A48 PolarHBondContact O-N 3.08Å; A48-V51 PolarHBondContact O-N 2.93Å; A48-A52 WeakPolarHBondContact O-CB 3.39Å; A48-A52 PolarHBondContact O-N 3.18Å; A48-T117 HydrophobicContact CB-CG2 3.94Å; A48-R121 HydrophobicContact CB-CB 3.72Å; A48-R121 HydrophobicContact CB-CG 3.78Å
49	D	97.1	Very high	95.1	Very high	79 Å²	79	30.9 Å²	30.9	42%	0.422	18%	0.177	S	C	.	.	H	α-helix	trans	-65.2	-40.2	173.9	-77.7	-32.7	0	0	0	111.2	D45 L47 R121	D45-D49 VanDerWaalsContact O-CB 3.24Å; D45-D49 WeakPolarHBondContact O-CB 3.47Å; D45-D49 VanDerWaalsContact O-CG 3.23Å; D45-D49 PolarHBondContact O-N 2.88Å; L47-D49 PolarHBondContact O-N 2.87Å; D49-R121 IonicContact OD1-CZ 3.1Å; D49-R121 IonicContact OD1-NH1 3.35Å; D49-R121 PolarHBondContact OD1-NH1 3.3Å; D49-R121 IonicContact OD1-NH2 3.23Å; D49-R121 PolarHBondContact OD1-NH2 3.04Å; D49-R121 IonicContact OD2-CZ 3.54Å; D49-R121 IonicContact OD2-NH2 2.89Å; D49-R121 PolarHBondContact OD2-NH2 3.04Å; D49-R121 VanDerWaalsContact OD2-NH2 3.16Å
50	A	96.8	Very high	95	Very high	32 Å²	32	36.9 Å²	36.9	26%	0.264	20%	0.198	S	C	.	.	H	α-helix	trans	-67.9	-33.7	176.3	0	0	0	0	0	113.1	L46 L47 V53 V80 I84	L46-A50 PolarHBondContact O-N 3.45Å; L46-A50 VanDerWaalsContact O-N 3.14Å; L47-A50 PolarHBondContact O-N 3.4Å; A50-V53 WeakPolarHBondContact O-CG2 3.41Å; A50-V80 HydrophobicContact CB-CG1 4.35Å; A50-I84 HydrophobicContact CB-CD1 3.56Å
51	V	96.4	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-81.9	-40.4	178.2	171.8	0	0	0	0	111.4	L47 A48 V53 T54 V80 A81 T114 T117	L47-V51 HydrophobicContact CD2-CG2 4.05Å; L47-V51 WeakPolarHBondContact O-CG2 3.35Å; L47-V51 PolarHBondContact O-N 3.28Å; A48-V51 PolarHBondContact O-N 2.93Å; V51-V53 PolarHBondContact O-N 2.94Å; V51-V53 VanDerWaalsContact O-N 3.1Å; V51-T54 PolarHBondContact O-N 3.29Å; V51-T54 PolarHBondContact O-OG1 3.46Å; V51-V80 HydrophobicContact CG2-CB 4.09Å; V51-V80 HydrophobicContact CG2-CG1 3.78Å; V51-A81 HydrophobicContact CG2-CB 4.1Å; V51-T114 HydrophobicContact CG1-CG2 3.78Å; V51-T114 WeakPolarHBondContact O-CG2 3.45Å; V51-T117 HydrophobicContact CB-CG2 3.91Å; V51-T117 HydrophobicContact CG1-CG2 3.84Å; V51-T117 HydrophobicContact CG2-CG2 4.34Å
52	A	96.6	Very high	95	Very high	12 Å²	12	40.3 Å²	40.3	10%	0.099	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-27.7	-173.9	0	0	0	0	0	114.1	A48 T54 M55 V118 T478 N482	A48-A52 WeakPolarHBondContact O-CB 3.39Å; A48-A52 PolarHBondContact O-N 3.18Å; A52-T54 PolarHBondContact O-N 2.97Å; A52-M55 WeakPolarHBondContact O-CB 3.36Å; A52-M55 PolarHBondContact O-N 3.32Å; A52-V118 HydrophobicContact CB-CG1 3.73Å; A52-T478 HydrophobicContact CB-CG2 4.18Å; A52-N482 PolarHBondContact O-ND2 2.95Å
53	V	96.4	Very high	94.9	Very high	54 Å²	54	41.7 Å²	41.7	33%	0.327	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.1	177.8	-60	0	0	0	0	112.9	A50 V51 M55 G59 R60 V62	A50-V53 WeakPolarHBondContact O-CG2 3.41Å; V51-V53 PolarHBondContact O-N 2.94Å; V51-V53 VanDerWaalsContact O-N 3.1Å; V53-M55 VanDerWaalsContact C-N 3.34Å; V53-G59 CarbonylContact O-C 3.6Å; V53-G59 VanDerWaalsContact O-CA 3.28Å; V53-G59 WeakPolarHBondContact O-CA 3.31Å; V53-R60 PolarHBondContact O-N 3.22Å; V53-V62 HydrophobicContact CG2-CG2 3.91Å
54	T	94.8	Very high	94.7	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.025	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-13.1	179.1	76.2	0	0	0	0	112.9	V51 A52 R60 V62 K75 V80 T114	V51-T54 PolarHBondContact O-N 3.29Å; V51-T54 PolarHBondContact O-OG1 3.46Å; A52-T54 PolarHBondContact O-N 2.97Å; T54-R60 WeakPolarHBondContact CA-O 3.38Å; T54-V62 HydrophobicContact CG2-CG2 3.82Å; T54-K75 WeakPolarHBondContact CB-O 3.48Å; T54-K75 HydrophobicContact CG2-CG 4.47Å; T54-K75 WeakPolarHBondContact O-CE 3.02Å; T54-K75 PolarHBondContact OG1-O 2.84Å; T54-V80 HydrophobicContact CG2-CG2 4.46Å; T54-T114 PolarHBondContact OG1-OG1 3.34Å
55	M	94.6	Very high	94.5	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.049	27%	0.273	C	S	.	.			trans	-69.1	134.6	-172.9	-170.2	175.9	-81.1	0	0	113.4	A52 V53 G59 T114 V118 T478 I479 N482	A52-M55 WeakPolarHBondContact O-CB 3.36Å; A52-M55 PolarHBondContact O-N 3.32Å; V53-M55 VanDerWaalsContact C-N 3.34Å; M55-G59 WeakPolarHBondContact O-CA 3.13Å; M55-T114 HydrophobicContact CB-CG2 3.73Å; M55-T114 HydrophobicContact CE-CG2 3.79Å; M55-T114 WeakPolarHBondContact CE-O 3.31Å; M55-T114 HydrophobicContact CG-CG2 4.34Å; M55-V118 HydrophobicContact CE-CB 4.37Å; M55-V118 HydrophobicContact CE-CG1 4Å; M55-V118 HydrophobicContact CE-CG2 3.43Å; M55-V118 VanDerWaalsContact CE-CG2 3.43Å; M55-V118 HydrophobicContact SD-CG2 4.43Å; M55-T478 HydrophobicContact CB-CG2 4.12Å; M55-T478 HydrophobicContact CG-CG2 4.45Å; M55-T478 HydrophobicContact SD-CG2 3.7Å; M55-I479 HydrophobicContact CG-CG1 3.75Å; M55-I479 HydrophobicContact SD-CD1 4.49Å; M55-I479 HydrophobicContact SD-CG1 3.88Å; M55-N482 PolarHBondContact O-ND2 3.37Å
56	G	91.7	Very high	94	Very high	23 Å²	23	52.9 Å²	52.9	24%	0.237	28%	0.281	C	S	.	.	S	Bend	trans	84.1	175.2	170.4	0	0	0	0	0	114.6	K58 G59 K75	G56-K58 VanDerWaalsContact C-N 3.3Å; G56-K58 PolarHBondContact O-N 3.34Å; G56-G59 PolarHBondContact O-N 3.18Å; G56-K75 WeakPolarHBondContact O-CE 3.49Å; G56-K75 PolarHBondContact O-NZ 3.23Å
57	P	89.5	Confident	93.4	Very high	61 Å²	61	54.4 Å²	54.4	40%	0.396	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.6	-174.9	23.9	-33.7	0	0	0	112.7	G59 A505 M506	P57-G59 VanDerWaalsContact C-N 3.32Å; P57-A505 HydrophobicContact CG-CB 3.97Å; P57-M506 HydrophobicContact CB-CB 4.13Å; P57-M506 HydrophobicContact CG-CB 4.15Å
58	K	92.3	Very high	92.4	Very high	88 Å²	88	63.7 Å²	63.7	38%	0.383	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	14.2	174.6	-67.6	-179.8	177	154.5	0	113.7	G56 A483 A505 M506	G56-K58 VanDerWaalsContact C-N 3.3Å; G56-K58 PolarHBondContact O-N 3.34Å; K58-A483 HydrophobicContact CB-CB 4.44Å; K58-A483 HydrophobicContact CD-CB 3.8Å; K58-A505 WeakPolarHBondContact CD-O 3.42Å; K58-A505 VanDerWaalsContact CE-O 3.22Å; K58-A505 WeakPolarHBondContact CE-O 3.4Å; K58-A505 PolarHBondContact NZ-O 2.87Å; K58-M506 VanDerWaalsContact CE-O 3.3Å; K58-M506 WeakPolarHBondContact CE-O 3.38Å; K58-M506 PolarHBondContact NZ-O 2.89Å
59	G	91.3	Very high	91.6	Very high	14 Å²	14	67.2 Å²	67.2	14%	0.144	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-64.1	149.2	171	0	0	0	0	0	111.8	V53 M55 G56 P57	V53-G59 CarbonylContact O-C 3.6Å; V53-G59 VanDerWaalsContact O-CA 3.28Å; V53-G59 WeakPolarHBondContact O-CA 3.31Å; M55-G59 WeakPolarHBondContact O-CA 3.13Å; G56-G59 PolarHBondContact O-N 3.18Å; P57-G59 VanDerWaalsContact C-N 3.32Å
60	R	93.1	Very high	91	Very high	153 Å²	153	67.6 Å²	67.6	58%	0.577	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-102.5	155.5	-176.3	-63	174.8	-177.7	78	2.8	110.9	V53 T54	V53-R60 PolarHBondContact O-N 3.22Å; T54-R60 WeakPolarHBondContact CA-O 3.38Å
61	T	92.7	Very high	90.6	Very high	77 Å²	77	69.1 Å²	69.1	47%	0.472	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-78.3	148.4	174.1	53.2	0	0	0	0	111.5	V73 T74	T61-V73 HydrophobicContact CG2-CG1 4.05Å; T61-T74 CarbonylContact C-O 3.57Å; T61-T74 WeakPolarHBondContact CA-O 3.32Å
62	V	95.4	Very high	90.2	Very high	30 Å²	30	71.7 Å²	71.7	18%	0.182	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.1	171.8	178.2	0	0	0	0	109	V53 T54 I64 T74 V80	V53-V62 HydrophobicContact CG2-CG2 3.91Å; T54-V62 HydrophobicContact CG2-CG2 3.82Å; V62-I64 HydrophobicContact CG1-CG1 4.26Å; V62-T74 PolarHBondContact N-O 3.35Å; V62-T74 PolarHBondContact O-N 2.88Å; V62-V80 HydrophobicContact CB-CG1 4.48Å; V62-V80 HydrophobicContact CB-CG2 3.67Å; V62-V80 HydrophobicContact CG1-CG1 4.14Å; V62-V80 HydrophobicContact CG1-CG2 4Å; V62-V80 HydrophobicContact CG2-CG1 4.31Å; V62-V80 HydrophobicContact CG2-CG2 3.91Å
63	I	94.4	Very high	90	Very high	120 Å²	120	72.9 Å²	72.9	62%	0.615	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.9	177.5	-53.3	-179.1	0	0	0	108.3	P71 K72 V73	I63-P71 HydrophobicContact CG2-CB 3.79Å; I63-P71 HydrophobicContact CG2-CG 4.35Å; I63-K72 CarbonylContact C-O 3.55Å; I63-K72 WeakPolarHBondContact CA-O 3.42Å; I63-V73 HydrophobicContact CG1-CG2 4.28Å
64	I	93.1	Very high	89.6	Confident	21 Å²	21	70.4 Å²	70.4	11%	0.108	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.4	-176	-56.7	167.9	0	0	0	108.3	V62 P71 K72 T74 T79 V80 A83	V62-I64 HydrophobicContact CG1-CG1 4.26Å; I64-P71 CarbonylContact O-C 3.59Å; I64-P71 WeakPolarHBondContact O-CA 3.26Å; I64-K72 HydrophobicContact CB-CB 4.43Å; I64-K72 PolarHBondContact N-O 2.78Å; I64-K72 PolarHBondContact O-N 2.83Å; I64-T74 HydrophobicContact CD1-CG2 3.8Å; I64-T79 HydrophobicContact CD1-CG2 3.89Å; I64-V80 HydrophobicContact CD1-CG2 4.43Å; I64-A83 HydrophobicContact CD1-CB 3.84Å; I64-A83 HydrophobicContact CG1-CB 4.2Å; I64-A83 HydrophobicContact CG2-CB 3.58Å
65	E	92	Very high	89.4	Confident	172 Å²	172	71.5 Å²	71.5	80%	0.804	39%	0.393	S	S	*	.			trans	-59.3	139.6	171.6	-173.4	-170.2	178.8	0	0	110.3
66	Q	85.4	Confident	89.1	Confident	77 Å²	77	71.8 Å²	71.8	36%	0.36	40%	0.395	S	S	.	.			trans	-113.7	139.1	171.8	-61.8	-64.2	-65.7	0	0	108.4	W68 K72	Q66-W68 WeakPolarHBondContact CB-O 3.32Å; Q66-W68 PolarHBondContact O-N 3.44Å; Q66-K72 HydrophobicContact CG-CB 4.37Å
67	S	84.9	Confident	88.9	Confident	115 Å²	115	70.7 Å²	70.7	80%	0.804	38%	0.384	S	S	*	.	S	Bend	trans	-60.8	-17.7	177.7	-50.9	0	0	0	0	113.4
68	W	75.4	Confident	88.9	Confident	195 Å²	195	68 Å²	68	74%	0.739	37%	0.366	S	S	*	.	S	Bend	trans	-146.4	144.2	173.4	52.2	78.7	0	0	0	110.2	Q66	Q66-W68 WeakPolarHBondContact CB-O 3.32Å; Q66-W68 PolarHBondContact O-N 3.44Å
69	G	80.6	Confident	88.8	Confident	75 Å²	75	65.3 Å²	65.3	77%	0.773	36%	0.357	S	S	*	.	S	Bend	trans	82.6	-160.4	177	0	0	0	0	0	114.2
70	S	82.9	Confident	89	Confident	87 Å²	87	64.8 Å²	64.8	61%	0.608	35%	0.351	S	S	*	.	S	Bend	trans	-80.4	150.8	-179.5	-65.3	0	0	0	0	111.4
71	P	88.5	Confident	89	Confident	64 Å²	64	57.5 Å²	57.5	42%	0.416	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-60.6	145.6	176.4	26.5	-34.9	0	0	0	111.3	I63 I64	I63-P71 HydrophobicContact CG2-CB 3.79Å; I63-P71 HydrophobicContact CG2-CG 4.35Å; I64-P71 CarbonylContact O-C 3.59Å; I64-P71 WeakPolarHBondContact O-CA 3.26Å
72	K	88.3	Confident	89	Confident	53 Å²	53	59 Å²	59	23%	0.23	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.6	174.2	-175.2	173.3	-177.2	-177.4	0	108.8	I63 I64 Q66 T79 D419	I63-K72 CarbonylContact C-O 3.55Å; I63-K72 WeakPolarHBondContact CA-O 3.42Å; I64-K72 HydrophobicContact CB-CB 4.43Å; I64-K72 PolarHBondContact N-O 2.78Å; I64-K72 PolarHBondContact O-N 2.83Å; Q66-K72 HydrophobicContact CG-CB 4.37Å; K72-T79 HydrophobicContact CD-CG2 3.89Å; K72-D419 WeakPolarHBondContact CE-OD2 3.42Å; K72-D419 IonicContact NZ-OD1 2.89Å; K72-D419 IonicContact NZ-OD2 2.72Å; K72-D419 PolarHBondContact NZ-OD2 2.97Å
73	V	91.7	Very high	88.8	Confident	38 Å²	38	60 Å²	60	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.2	170.2	-175.5	0	0	0	0	107.3	T61 I63 V412	T61-V73 HydrophobicContact CG2-CG1 4.05Å; I63-V73 HydrophobicContact CG1-CG2 4.28Å; V73-V412 HydrophobicContact CB-CG1 4.01Å; V73-V412 HydrophobicContact CG2-CG1 3.8Å
74	T	89.6	Confident	88.8	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.1	-176.8	-171.2	0	0	0	0	112.2	T61 V62 I64 D76 T79 V80	T61-T74 CarbonylContact C-O 3.57Å; T61-T74 WeakPolarHBondContact CA-O 3.32Å; V62-T74 PolarHBondContact N-O 3.35Å; V62-T74 PolarHBondContact O-N 2.88Å; I64-T74 HydrophobicContact CD1-CG2 3.8Å; T74-D76 WeakPolarHBondContact OG1-CB 3.36Å; T74-D76 PolarHBondContact OG1-N 3.35Å; T74-T79 HydrophobicContact CG2-CG2 3.82Å; T74-V80 HydrophobicContact CG2-CG2 3.8Å
75	K	89.4	Confident	88.9	Confident	27 Å²	27	59.4 Å²	59.4	12%	0.117	33%	0.333	C	S	.	.			trans	-109.3	-4.8	167	-161.6	175.3	173.1	-169.8	0	111.8	T54 G56 G77 N177	T54-K75 WeakPolarHBondContact CB-O 3.48Å; T54-K75 HydrophobicContact CG2-CG 4.47Å; T54-K75 WeakPolarHBondContact O-CE 3.02Å; T54-K75 PolarHBondContact OG1-O 2.84Å; G56-K75 WeakPolarHBondContact O-CE 3.49Å; G56-K75 PolarHBondContact O-NZ 3.23Å; K75-G77 PolarHBondContact O-N 2.76Å; K75-N177 WeakPolarHBondContact CE-OD1 3.24Å; K75-N177 PolarHBondContact NZ-OD1 3.03Å
76	D	88.1	Confident	89	Confident	16 Å²	16	52.6 Å²	52.6	9%	0.086	30%	0.302	C	S	.	.			trans	-71.1	120	179.3	167.9	29.9	0	0	0	111	T74 V78 T79 V80	T74-D76 WeakPolarHBondContact OG1-CB 3.36Å; T74-D76 PolarHBondContact OG1-N 3.35Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 2.63Å; D76-V78 VanDerWaalsContact OD1-CG1 3.31Å; D76-V78 WeakPolarHBondContact OD1-CG1 3.3Å; D76-V78 PolarHBondContact OD1-N 3.09Å; D76-V78 WeakPolarHBondContact OD2-CG1 3.42Å; D76-T79 PolarHBondContact O-N 2.76Å; D76-T79 WeakPolarHBondContact OD2-CB 3.3Å; D76-T79 PolarHBondContact OD2-N 3Å; D76-T79 PolarHBondContact OD2-OG1 3.06Å; D76-V80 WeakPolarHBondContact O-CG2 3.22Å; D76-V80 PolarHBondContact O-N 2.74Å; D76-V80 VanDerWaalsContact O-N 3.14Å
77	G	89	Confident	89.4	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-35.7	-179.2	0	0	0	0	0	113.5	K75 V80 A81 T114	K75-G77 PolarHBondContact O-N 2.76Å; G77-V80 PolarHBondContact O-N 3.03Å; G77-A81 WeakPolarHBondContact O-CB 3.12Å; G77-A81 PolarHBondContact O-N 3.12Å; G77-T114 WeakPolarHBondContact CA-OG1 3.35Å
78	V	89.8	Confident	89.9	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-74.3	-37.5	-179	68.9	0	0	0	0	111.3	D76 V80 A81 K82 A102 N103 N106 T113	D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 2.63Å; D76-V78 VanDerWaalsContact OD1-CG1 3.31Å; D76-V78 WeakPolarHBondContact OD1-CG1 3.3Å; D76-V78 PolarHBondContact OD1-N 3.09Å; D76-V78 WeakPolarHBondContact OD2-CG1 3.42Å; V78-V80 VanDerWaalsContact C-N 3.35Å; V78-A81 PolarHBondContact O-N 2.83Å; V78-K82 HydrophobicContact CG2-CD 4.2Å; V78-K82 HydrophobicContact CG2-CG 4.34Å; V78-K82 WeakPolarHBondContact O-CB 3.33Å; V78-K82 VanDerWaalsContact O-CG 3.29Å; V78-K82 WeakPolarHBondContact O-CG 3.43Å; V78-K82 PolarHBondContact O-N 3.28Å; V78-A102 HydrophobicContact CB-CB 4.46Å; V78-A102 HydrophobicContact CG2-CB 4.32Å; V78-N103 WeakPolarHBondContact CG2-OD1 3.32Å; V78-N106 HydrophobicContact CB-CB 4.39Å; V78-N106 HydrophobicContact CG1-CB 4.2Å; V78-N106 HydrophobicContact CG2-CB 4.34Å; V78-T113 HydrophobicContact CB-CG2 3.91Å; V78-T113 HydrophobicContact CG1-CG2 4.23Å; V78-T113 PolarHBondContact N-OG1 3.22Å
79	T	90	Very high	90.8	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.184	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-44.6	172.5	-66.3	0	0	0	0	111.1	I64 K72 T74 D76 K82 A83	I64-T79 HydrophobicContact CD1-CG2 3.89Å; K72-T79 HydrophobicContact CD-CG2 3.89Å; T74-T79 HydrophobicContact CG2-CG2 3.82Å; D76-T79 PolarHBondContact O-N 2.76Å; D76-T79 WeakPolarHBondContact OD2-CB 3.3Å; D76-T79 PolarHBondContact OD2-N 3Å; D76-T79 PolarHBondContact OD2-OG1 3.06Å; T79-K82 PolarHBondContact O-N 3.09Å; T79-A83 PolarHBondContact O-N 3.42Å
80	V	94.1	Very high	91.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-47.6	176.7	176.1	0	0	0	0	110.9	A50 V51 T54 V62 I64 T74 D76 G77 V78 K82 A83 I84	A50-V80 HydrophobicContact CB-CG1 4.35Å; V51-V80 HydrophobicContact CG2-CB 4.09Å; V51-V80 HydrophobicContact CG2-CG1 3.78Å; T54-V80 HydrophobicContact CG2-CG2 4.46Å; V62-V80 HydrophobicContact CB-CG1 4.48Å; V62-V80 HydrophobicContact CB-CG2 3.67Å; V62-V80 HydrophobicContact CG1-CG1 4.14Å; V62-V80 HydrophobicContact CG1-CG2 4Å; V62-V80 HydrophobicContact CG2-CG1 4.31Å; V62-V80 HydrophobicContact CG2-CG2 3.91Å; I64-V80 HydrophobicContact CD1-CG2 4.43Å; T74-V80 HydrophobicContact CG2-CG2 3.8Å; D76-V80 WeakPolarHBondContact O-CG2 3.22Å; D76-V80 PolarHBondContact O-N 2.74Å; D76-V80 VanDerWaalsContact O-N 3.14Å; G77-V80 PolarHBondContact O-N 3.03Å; V78-V80 VanDerWaalsContact C-N 3.35Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 3.49Å; V80-A83 PolarHBondContact O-N 2.97Å; V80-I84 HydrophobicContact CG1-CD1 4.19Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å
81	A	93.4	Very high	92	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-44.5	178.5	0	0	0	0	0	111.5	L47 V51 G77 V78 A83 I84 Q99 A102	L47-A81 HydrophobicContact CD1-CB 4.39Å; L47-A81 HydrophobicContact CD2-CB 4.14Å; V51-A81 HydrophobicContact CG2-CB 4.1Å; G77-A81 WeakPolarHBondContact O-CB 3.12Å; G77-A81 PolarHBondContact O-N 3.12Å; V78-A81 PolarHBondContact O-N 2.83Å; A81-A83 VanDerWaalsContact C-N 3.28Å; A81-A83 PolarHBondContact O-N 3.37Å; A81-I84 PolarHBondContact O-N 3.47Å; A81-Q99 PolarHBondContact O-NE2 3.22Å; A81-A102 HydrophobicContact CB-CB 4.15Å
82	K	92.3	Very high	92.4	Very high	109 Å²	109	45.1 Å²	45.1	47%	0.474	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-31.6	178.7	-79.7	179.4	-176.9	172.5	0	113.8	V78 T79 V80 I84 Q99 N103	V78-K82 HydrophobicContact CG2-CD 4.2Å; V78-K82 HydrophobicContact CG2-CG 4.34Å; V78-K82 WeakPolarHBondContact O-CB 3.33Å; V78-K82 VanDerWaalsContact O-CG 3.29Å; V78-K82 WeakPolarHBondContact O-CG 3.43Å; V78-K82 PolarHBondContact O-N 3.28Å; T79-K82 PolarHBondContact O-N 3.09Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 3.49Å; K82-I84 VanDerWaalsContact C-N 3.31Å; K82-I84 PolarHBondContact O-N 2.8Å; K82-Q99 HydrophobicContact CG-CG 4.47Å; K82-Q99 PolarHBondContact O-NE2 3.17Å; K82-N103 WeakPolarHBondContact CE-OD1 3.49Å
83	A	92.9	Very high	92.7	Very high	50 Å²	50	45.3 Å²	45.3	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-79.5	-10.6	-177.8	0	0	0	0	0	114.2	I64 T79 V80 A81	I64-A83 HydrophobicContact CD1-CB 3.84Å; I64-A83 HydrophobicContact CG1-CB 4.2Å; I64-A83 HydrophobicContact CG2-CB 3.58Å; T79-A83 PolarHBondContact O-N 3.42Å; V80-A83 PolarHBondContact O-N 2.97Å; A81-A83 VanDerWaalsContact C-N 3.28Å; A81-A83 PolarHBondContact O-N 3.37Å
84	I	94.4	Very high	92.8	Very high	26 Å²	26	43.5 Å²	43.5	13%	0.133	22%	0.216	C	C	.	.			trans	-95.2	112	-176.2	-63.4	168.8	0	0	0	109.8	L46 L47 A50 V80 A81 K82 L86	L46-I84 HydrophobicContact CD2-CG2 3.98Å; L47-I84 HydrophobicContact CB-CD1 4.48Å; L47-I84 HydrophobicContact CB-CG2 4.5Å; L47-I84 HydrophobicContact CD1-CB 4.37Å; L47-I84 HydrophobicContact CD1-CG2 4.49Å; L47-I84 HydrophobicContact CG-CD1 4.17Å; A50-I84 HydrophobicContact CB-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CD1 4.19Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; A81-I84 PolarHBondContact O-N 3.47Å; K82-I84 VanDerWaalsContact C-N 3.31Å; K82-I84 PolarHBondContact O-N 2.8Å; I84-L86 HydrophobicContact CG2-CD2 4.02Å; I84-L86 HydrophobicContact CG2-CG 4.36Å
85	D	93.9	Very high	93	Very high	103 Å²	103	43.5 Å²	43.5	55%	0.551	22%	0.216	S	C	*	.			trans	-123.1	130.8	167.6	-84.2	-54.3	0	0	0	109.6	K96	D85-K96 WeakPolarHBondContact OD1-CE 3.45Å; D85-K96 IonicContact OD1-NZ 2.87Å; D85-K96 PolarHBondContact OD1-NZ 3.39Å; D85-K96 IonicContact OD2-NZ 3.62Å
86	L	94.5	Very high	93.3	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.157	22%	0.223	C	C	.	.			trans	-102.6	138.2	-175.3	-57.3	-178.8	0	0	0	111.4	L46 I84 D88 K91 N92 A95	L46-L86 HydrophobicContact CD1-CD2 3.93Å; L46-L86 HydrophobicContact CD2-CD2 3.86Å; I84-L86 HydrophobicContact CG2-CD2 4.02Å; I84-L86 HydrophobicContact CG2-CG 4.36Å; L86-D88 PolarHBondContact O-N 2.91Å; L86-K91 HydrophobicContact CB-CB 4.37Å; L86-K91 HydrophobicContact CD1-CB 3.67Å; L86-N92 HydrophobicContact CB-CB 4.02Å; L86-N92 PolarHBondContact N-OD1 2.82Å; L86-N92 WeakPolarHBondContact O-CB 3.43Å; L86-A95 HydrophobicContact CD1-CB 3.94Å; L86-A95 HydrophobicContact CG-CB 4.35Å
87	K	93.9	Very high	93.5	Very high	209 Å²	209	46.8 Å²	46.8	91%	0.909	23%	0.232	S	C	*	.	S	Bend	trans	-61.8	-43.2	178	-176.5	175.6	-179.7	175.1	0	112.3	K89	K87-K89 PolarHBondContact O-N 2.85Å
88	D	94.4	Very high	93.7	Very high	60 Å²	60	47 Å²	47	32%	0.321	23%	0.233	S	C	.	.	S	Bend	trans	-72	121.6	175.9	-176.6	-55.3	0	0	0	109.8	L86 Y90 K91 N92	L86-D88 PolarHBondContact O-N 2.91Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; D88-Y90 PolarHBondContact O-N 3.48Å; D88-Y90 WeakPolarHBondContact OD1-CA 3.44Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.46Å; D88-Y90 PolarHBondContact OD1-N 3.34Å; D88-K91 HydrophobicContact CB-CB 4.09Å; D88-K91 HydrophobicContact CB-CD 3.95Å; D88-K91 HydrophobicContact CB-CG 3.85Å; D88-K91 PolarHBondContact O-N 2.85Å; D88-K91 PolarHBondContact OD1-N 2.87Å; D88-K91 VanDerWaalsContact OD1-N 3.11Å; D88-N92 VanDerWaalsContact O-CB 3.29Å; D88-N92 WeakPolarHBondContact O-CB 3.41Å; D88-N92 PolarHBondContact O-N 3.04Å
89	K	94.3	Very high	93.9	Very high	92 Å²	92	47.5 Å²	47.5	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-65.3	-34	-174.8	-62.3	-60.1	-174.2	-176.3	0	113.4	K87 N92 I93 T547	K87-K89 PolarHBondContact O-N 2.85Å; K89-N92 PolarHBondContact O-N 2.92Å; K89-I93 WeakPolarHBondContact O-CG1 3.38Å; K89-I93 PolarHBondContact O-N 3.33Å; K89-T547 HydrophobicContact CB-CG2 3.81Å
90	Y	94.3	Very high	94	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-71.5	-43.8	178.4	-68.2	-86.5	0	0	0	110.9	D29 V30 K31 L39 D88 N92 I93 G94 V545 T547	D29-Y90 VanDerWaalsContact CG-OH 3.27Å; D29-Y90 PolarHBondContact O-OH 3.05Å; D29-Y90 VanDerWaalsContact O-OH 3.11Å; D29-Y90 WeakPolarHBondContact OD2-CE2 3.1Å; D29-Y90 PolarHBondContact OD2-OH 3Å; V30-Y90 PolarHBondContact N-OH 2.68Å; K31-Y90 HydrophobicContact CB-CD1 4.38Å; K31-Y90 HydrophobicContact CB-CE1 3.64Å; K31-Y90 HydrophobicContact CD-CD1 4.25Å; K31-Y90 HydrophobicContact CD-CD2 4.16Å; K31-Y90 HydrophobicContact CD-CE1 3.9Å; K31-Y90 HydrophobicContact CD-CE2 3.8Å; K31-Y90 HydrophobicContact CD-CG 4.39Å; K31-Y90 HydrophobicContact CG-CE1 3.8Å; K31-Y90 HydrophobicContact CG-CE2 4.15Å; K31-Y90 PolarHBondContact N-OH 3.18Å; L39-Y90 HydrophobicContact CD1-CD2 4.32Å; L39-Y90 HydrophobicContact CD1-CG 4.11Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; D88-Y90 PolarHBondContact O-N 3.48Å; D88-Y90 WeakPolarHBondContact OD1-CA 3.44Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.46Å; D88-Y90 PolarHBondContact OD1-N 3.34Å; Y90-N92 VanDerWaalsContact C-N 3.3Å; Y90-N92 PolarHBondContact O-N 2.92Å; Y90-I93 PolarHBondContact O-N 2.69Å; Y90-G94 PolarHBondContact O-N 3.1Å; Y90-V545 HydrophobicContact CD1-CB 3.87Å; Y90-V545 HydrophobicContact CD1-CG1 3.57Å; Y90-V545 HydrophobicContact CE1-CB 3.75Å; Y90-V545 HydrophobicContact CE1-CG1 3.67Å; Y90-V545 WeakPolarHBondContact CE1-O 3.29Å; Y90-T547 HydrophobicContact CD1-CG2 4.01Å; Y90-T547 HydrophobicContact CD2-CG2 4.2Å; Y90-T547 HydrophobicContact CE1-CG2 3.77Å; Y90-T547 HydrophobicContact CE2-CG2 3.97Å; Y90-T547 HydrophobicContact CG-CG2 4.19Å
91	K	96	Very high	93.9	Very high	62 Å²	62	49.3 Å²	49.3	27%	0.27	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-41.9	172.7	-55.6	-172.5	-168.6	-162.8	0	110.5	L39 Q42 G43 L86 D88 I93 G94 A95	L39-K91 WeakPolarHBondContact O-CG 3.18Å; Q42-K91 HydrophobicContact CB-CD 4.31Å; Q42-K91 HydrophobicContact CB-CG 4.44Å; G43-K91 WeakPolarHBondContact CA-O 3.21Å; L86-K91 HydrophobicContact CB-CB 4.37Å; L86-K91 HydrophobicContact CD1-CB 3.67Å; D88-K91 HydrophobicContact CB-CB 4.09Å; D88-K91 HydrophobicContact CB-CD 3.95Å; D88-K91 HydrophobicContact CB-CG 3.85Å; D88-K91 PolarHBondContact O-N 2.85Å; D88-K91 PolarHBondContact OD1-N 2.87Å; D88-K91 VanDerWaalsContact OD1-N 3.11Å; K91-I93 VanDerWaalsContact C-N 3.31Å; K91-I93 PolarHBondContact O-N 3.38Å; K91-G94 PolarHBondContact O-N 3.38Å; K91-G94 VanDerWaalsContact O-N 3.14Å; K91-A95 PolarHBondContact O-N 3.49Å
92	N	95.6	Very high	93.8	Very high	26 Å²	26	49.3 Å²	49.3	14%	0.139	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-36.3	-179.6	-158.7	47.9	0	0	0	112.6	L86 D88 K89 Y90 G94 A95 K96	L86-N92 HydrophobicContact CB-CB 4.02Å; L86-N92 PolarHBondContact N-OD1 2.82Å; L86-N92 WeakPolarHBondContact O-CB 3.43Å; D88-N92 VanDerWaalsContact O-CB 3.29Å; D88-N92 WeakPolarHBondContact O-CB 3.41Å; D88-N92 PolarHBondContact O-N 3.04Å; K89-N92 PolarHBondContact O-N 2.92Å; Y90-N92 VanDerWaalsContact C-N 3.3Å; Y90-N92 PolarHBondContact O-N 2.92Å; N92-G94 VanDerWaalsContact C-N 3.35Å; N92-A95 PolarHBondContact O-N 3.33Å; N92-K96 WeakPolarHBondContact O-CB 3.42Å; N92-K96 VanDerWaalsContact O-CG 3.24Å; N92-K96 WeakPolarHBondContact O-CG 3.49Å; N92-K96 PolarHBondContact O-N 3.47Å
93	I	94.3	Very high	93.7	Very high	56 Å²	56	45.3 Å²	45.3	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-60.5	-46.6	173.4	-73.7	168.8	0	0	0	110.7	M40 K89 Y90 K91 A95 K96 L97 V545 T547	M40-I93 HydrophobicContact SD-CG2 4.15Å; K89-I93 WeakPolarHBondContact O-CG1 3.38Å; K89-I93 PolarHBondContact O-N 3.33Å; Y90-I93 PolarHBondContact O-N 2.69Å; K91-I93 VanDerWaalsContact C-N 3.31Å; K91-I93 PolarHBondContact O-N 3.38Å; I93-A95 PolarHBondContact O-N 3.34Å; I93-K96 PolarHBondContact O-N 3.01Å; I93-L97 HydrophobicContact CG2-CD1 4.16Å; I93-L97 WeakPolarHBondContact O-CG 3.46Å; I93-L97 PolarHBondContact O-N 3.23Å; I93-V545 HydrophobicContact CD1-CG1 3.55Å; I93-T547 HydrophobicContact CD1-CG2 3.66Å
94	G	94.1	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-46.5	175.7	0	0	0	0	0	112.4	V44 Y90 K91 N92 L97 V98	V44-G94 WeakPolarHBondContact CG2-O 3.39Å; Y90-G94 PolarHBondContact O-N 3.1Å; K91-G94 PolarHBondContact O-N 3.38Å; K91-G94 VanDerWaalsContact O-N 3.14Å; N92-G94 VanDerWaalsContact C-N 3.35Å; G94-L97 PolarHBondContact O-N 3.32Å; G94-V98 PolarHBondContact O-N 2.83Å
95	A	95.1	Very high	93.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-45.5	176.1	0	0	0	0	0	112.1	L47 L86 K91 N92 I93 L97 V98 Q99	L47-A95 HydrophobicContact CB-CB 4.27Å; L47-A95 HydrophobicContact CD1-CB 3.94Å; L47-A95 WeakPolarHBondContact CD1-O 3.44Å; L86-A95 HydrophobicContact CD1-CB 3.94Å; L86-A95 HydrophobicContact CG-CB 4.35Å; K91-A95 PolarHBondContact O-N 3.49Å; N92-A95 PolarHBondContact O-N 3.33Å; I93-A95 PolarHBondContact O-N 3.34Å; A95-L97 VanDerWaalsContact C-N 3.33Å; A95-L97 PolarHBondContact O-N 3Å; A95-V98 PolarHBondContact O-N 3.48Å; A95-Q99 WeakPolarHBondContact O-CB 3.3Å; A95-Q99 PolarHBondContact O-N 2.96Å
96	K	94.2	Very high	93	Very high	61 Å²	61	42 Å²	42	27%	0.265	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-39.4	179.7	-74.3	-66.5	175.5	-167.2	0	113	D85 N92 I93 V98 Q99 D100	D85-K96 WeakPolarHBondContact OD1-CE 3.45Å; D85-K96 IonicContact OD1-NZ 2.87Å; D85-K96 PolarHBondContact OD1-NZ 3.39Å; D85-K96 IonicContact OD2-NZ 3.62Å; N92-K96 WeakPolarHBondContact O-CB 3.42Å; N92-K96 VanDerWaalsContact O-CG 3.24Å; N92-K96 WeakPolarHBondContact O-CG 3.49Å; N92-K96 PolarHBondContact O-N 3.47Å; I93-K96 PolarHBondContact O-N 3.01Å; K96-V98 VanDerWaalsContact C-N 3.32Å; K96-V98 PolarHBondContact O-N 3.49Å; K96-Q99 VanDerWaalsContact CD-OE1 3.24Å; K96-Q99 WeakPolarHBondContact O-CB 3.43Å; K96-Q99 PolarHBondContact O-N 2.98Å; K96-D100 VanDerWaalsContact O-CG 3.27Å; K96-D100 PolarHBondContact O-N 3.27Å
97	L	92.3	Very high	92.4	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.267	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-37.6	176.9	-70.1	169.6	0	0	0	112.3	I93 G94 A95 D100 V101 V535 L539	I93-L97 HydrophobicContact CG2-CD1 4.16Å; I93-L97 WeakPolarHBondContact O-CG 3.46Å; I93-L97 PolarHBondContact O-N 3.23Å; G94-L97 PolarHBondContact O-N 3.32Å; A95-L97 VanDerWaalsContact C-N 3.33Å; A95-L97 PolarHBondContact O-N 3Å; L97-D100 PolarHBondContact O-N 2.91Å; L97-V101 PolarHBondContact O-N 3.21Å; L97-V535 HydrophobicContact CB-CG1 4.05Å; L97-V535 HydrophobicContact CD2-CG1 4.42Å; L97-L539 HydrophobicContact CD1-CB 4.42Å; L97-L539 HydrophobicContact CD1-CD1 3.67Å; L97-L539 HydrophobicContact CD1-CD2 4.49Å; L97-L539 HydrophobicContact CD1-CG 4.4Å
98	V	93.6	Very high	91.8	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-75	-34.2	175.6	-176.5	0	0	0	0	111.4	V44 L47 G94 A95 K96 D100 V101 A102 T117	V44-V98 HydrophobicContact CB-CG2 4.15Å; V44-V98 HydrophobicContact CG1-CG2 3.86Å; V44-V98 HydrophobicContact CG2-CG2 3.76Å; L47-V98 HydrophobicContact CD2-CB 4.07Å; L47-V98 HydrophobicContact CD2-CG1 3.63Å; G94-V98 PolarHBondContact O-N 2.83Å; A95-V98 PolarHBondContact O-N 3.48Å; K96-V98 VanDerWaalsContact C-N 3.32Å; K96-V98 PolarHBondContact O-N 3.49Å; V98-D100 VanDerWaalsContact C-N 3.26Å; V98-D100 PolarHBondContact O-N 2.99Å; V98-V101 WeakPolarHBondContact O-CB 3.33Å; V98-V101 PolarHBondContact O-N 3.38Å; V98-A102 PolarHBondContact O-N 3.42Å; V98-T117 HydrophobicContact CG1-CG2 3.7Å
99	Q	93.8	Very high	91.2	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-40.5	170.6	-178.6	179.3	92.7	0	0	110.8	L47 A81 K82 A95 K96 A102 N103	L47-Q99 HydrophobicContact CD1-CB 4.23Å; A81-Q99 PolarHBondContact O-NE2 3.22Å; K82-Q99 HydrophobicContact CG-CG 4.47Å; K82-Q99 PolarHBondContact O-NE2 3.17Å; A95-Q99 WeakPolarHBondContact O-CB 3.3Å; A95-Q99 PolarHBondContact O-N 2.96Å; K96-Q99 VanDerWaalsContact CD-OE1 3.24Å; K96-Q99 WeakPolarHBondContact O-CB 3.43Å; K96-Q99 PolarHBondContact O-N 2.98Å; Q99-A102 PolarHBondContact O-N 3.45Å; Q99-N103 WeakPolarHBondContact O-CB 3.42Å; Q99-N103 PolarHBondContact O-N 3.25Å; Q99-N103 PolarHBondContact O-ND2 2.92Å; Q99-N103 PolarHBondContact O-OD1 3.28Å
100	D	92.1	Very high	90.5	Very high	71 Å²	71	35 Å²	35	38%	0.38	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-38.3	175.4	-68.3	-20.6	0	0	0	112.1	K96 L97 V98 N103 N104	K96-D100 VanDerWaalsContact O-CG 3.27Å; K96-D100 PolarHBondContact O-N 3.27Å; L97-D100 PolarHBondContact O-N 2.91Å; V98-D100 VanDerWaalsContact C-N 3.26Å; V98-D100 PolarHBondContact O-N 2.99Å; D100-N103 PolarHBondContact O-N 2.92Å; D100-N104 WeakPolarHBondContact O-CB 3.41Å; D100-N104 PolarHBondContact O-N 3.48Å; D100-N104 PolarHBondContact O-ND2 3.15Å; D100-N104 PolarHBondContact O-OD1 2.99Å
101	V	92.8	Very high	90.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-51.3	172	173.6	0	0	0	0	110.8	L97 V98 N103 N104 T105 A116 A120 D531 A532 V535	L97-V101 PolarHBondContact O-N 3.21Å; V98-V101 WeakPolarHBondContact O-CB 3.33Å; V98-V101 PolarHBondContact O-N 3.38Å; V101-N103 VanDerWaalsContact C-N 3.27Å; V101-N103 PolarHBondContact O-N 2.97Å; V101-N104 PolarHBondContact O-N 3.27Å; V101-T105 PolarHBondContact O-N 3.47Å; V101-T105 PolarHBondContact O-OG1 2.85Å; V101-A116 HydrophobicContact CG1-CB 3.63Å; V101-A120 HydrophobicContact CG1-CB 4.31Å; V101-A120 HydrophobicContact CG2-CB 4.27Å; V101-D531 HydrophobicContact CG1-CB 4.18Å; V101-A532 HydrophobicContact CG1-CB 4.28Å; V101-V535 HydrophobicContact CG2-CB 3.37Å; V101-V535 HydrophobicContact CG2-CG1 3.77Å; V101-V535 HydrophobicContact CG2-CG2 3.52Å
102	A	91.6	Very high	90	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-37.3	179.8	0	0	0	0	0	112	V78 A81 V98 Q99 N106	V78-A102 HydrophobicContact CB-CB 4.46Å; V78-A102 HydrophobicContact CG2-CB 4.32Å; A81-A102 HydrophobicContact CB-CB 4.15Å; V98-A102 PolarHBondContact O-N 3.42Å; Q99-A102 PolarHBondContact O-N 3.45Å; A102-N106 WeakPolarHBondContact O-CB 3.14Å; A102-N106 PolarHBondContact O-N 3.29Å; A102-N106 VanDerWaalsContact O-N 3.1Å
103	N	89.9	Confident	89.9	Confident	24 Å²	24	32.9 Å²	32.9	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-49.9	177.1	-67.9	-23.8	0	0	0	112.1	V78 K82 Q99 D100 V101 T105 N106 E107	V78-N103 WeakPolarHBondContact CG2-OD1 3.32Å; K82-N103 WeakPolarHBondContact CE-OD1 3.49Å; Q99-N103 WeakPolarHBondContact O-CB 3.42Å; Q99-N103 PolarHBondContact O-N 3.25Å; Q99-N103 PolarHBondContact O-ND2 2.92Å; Q99-N103 PolarHBondContact O-OD1 3.28Å; D100-N103 PolarHBondContact O-N 2.92Å; V101-N103 VanDerWaalsContact C-N 3.27Å; V101-N103 PolarHBondContact O-N 2.97Å; N103-T105 PolarHBondContact O-N 3.49Å; N103-N106 WeakPolarHBondContact O-CB 3.3Å; N103-N106 PolarHBondContact O-N 2.75Å; N103-E107 WeakPolarHBondContact O-CG 3.38Å; N103-E107 PolarHBondContact O-N 3.21Å
104	N	88.8	Confident	90	Very high	65 Å²	65	31 Å²	31	35%	0.348	16%	0.159	S	C	.	.	H	α-helix	trans	-62.7	-44.8	-178	-66.6	-11.3	0	0	0	111.1	D100 V101 N106 E107 E108	D100-N104 WeakPolarHBondContact O-CB 3.41Å; D100-N104 PolarHBondContact O-N 3.48Å; D100-N104 PolarHBondContact O-ND2 3.15Å; D100-N104 PolarHBondContact O-OD1 2.99Å; V101-N104 PolarHBondContact O-N 3.27Å; N104-N106 VanDerWaalsContact C-N 3.28Å; N104-N106 PolarHBondContact O-N 2.81Å; N104-E107 PolarHBondContact O-N 3.1Å; N104-E107 VanDerWaalsContact O-N 3.14Å; N104-E108 PolarHBondContact O-N 3.01Å
105	T	90.1	Very high	90.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-39	176.5	-61	0	0	0	0	111.5	V101 N103 A109 G110 D111 A116 T527 A528 D531	V101-T105 PolarHBondContact O-N 3.47Å; V101-T105 PolarHBondContact O-OG1 2.85Å; N103-T105 PolarHBondContact O-N 3.49Å; T105-A109 WeakPolarHBondContact O-CB 3.17Å; T105-A109 PolarHBondContact O-N 3.42Å; T105-G110 PolarHBondContact O-N 3.16Å; T105-D111 WeakPolarHBondContact CG2-O 3.13Å; T105-A116 HydrophobicContact CG2-CB 4.16Å; T105-A116 WeakPolarHBondContact OG1-CB 3.34Å; T105-T527 HydrophobicContact CG2-CG2 4.16Å; T105-A528 HydrophobicContact CG2-CB 4.17Å; T105-D531 VanDerWaalsContact CA-OD2 3.24Å; T105-D531 WeakPolarHBondContact CA-OD2 3.41Å; T105-D531 PolarHBondContact N-OD2 2.92Å; T105-D531 VanDerWaalsContact N-OD2 3.13Å; T105-D531 PolarHBondContact OG1-OD2 3.24Å
106	N	87.9	Confident	90.2	Very high	44 Å²	44	32.9 Å²	32.9	24%	0.235	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-39.4	175.3	-170.3	72.4	0	0	0	112.6	V78 A102 N103 N104 G110 T113	V78-N106 HydrophobicContact CB-CB 4.39Å; V78-N106 HydrophobicContact CG1-CB 4.2Å; V78-N106 HydrophobicContact CG2-CB 4.34Å; A102-N106 WeakPolarHBondContact O-CB 3.14Å; A102-N106 PolarHBondContact O-N 3.29Å; A102-N106 VanDerWaalsContact O-N 3.1Å; N103-N106 WeakPolarHBondContact O-CB 3.3Å; N103-N106 PolarHBondContact O-N 2.75Å; N104-N106 VanDerWaalsContact C-N 3.28Å; N104-N106 PolarHBondContact O-N 2.81Å; N106-G110 WeakPolarHBondContact O-CA 3.38Å; N106-G110 PolarHBondContact O-N 2.86Å; N106-T113 HydrophobicContact CB-CG2 3.65Å
107	E	81.2	Confident	90.3	Very high	140 Å²	140	30 Å²	30	65%	0.654	16%	0.157	S	C	*	.	H	α-helix	trans	-68.6	-37.3	178.7	-73.2	-179	-175	0	0	111.8	N103 N104	N103-E107 WeakPolarHBondContact O-CG 3.38Å; N103-E107 PolarHBondContact O-N 3.21Å; N104-E107 PolarHBondContact O-N 3.1Å; N104-E107 VanDerWaalsContact O-N 3.14Å
108	E	80.6	Confident	90.6	Very high	94 Å²	94	27.8 Å²	27.8	44%	0.439	15%	0.146	S	C	.	.	H	α-helix	trans	-84.6	-41.5	-177.2	-72.6	-166.7	-177.4	0	0	114.4	N104 K523 T527	N104-E108 PolarHBondContact O-N 3.01Å; E108-K523 WeakPolarHBondContact O-CE 3.1Å; E108-T527 HydrophobicContact CB-CG2 3.81Å; E108-T527 WeakPolarHBondContact OE2-CG2 3.49Å
109	A	83.1	Confident	90.8	Very high	7 Å²	7	27.5 Å²	27.5	6%	0.058	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-24.1	-172.2	0	0	0	0	0	113.5	T105 D111 V524 T527	T105-A109 WeakPolarHBondContact O-CB 3.17Å; T105-A109 PolarHBondContact O-N 3.42Å; A109-D111 PolarHBondContact O-N 2.94Å; A109-V524 HydrophobicContact CB-CB 4.47Å; A109-V524 HydrophobicContact CB-CG2 3.97Å; A109-T527 HydrophobicContact CB-CG2 4.21Å
110	G	80.2	Confident	91	Very high	4 Å²	4	26.9 Å²	26.9	4%	0.041	14%	0.142	C	C	.	.	S	Bend	trans	68.1	11.6	179	0	0	0	0	0	115.7	T105 N106 N426	T105-G110 PolarHBondContact O-N 3.16Å; N106-G110 WeakPolarHBondContact O-CA 3.38Å; N106-G110 PolarHBondContact O-N 2.86Å; G110-N426 WeakPolarHBondContact O-CB 3.5Å
111	D	87.6	Confident	91.2	Very high	40 Å²	40	25.9 Å²	25.9	21%	0.214	13%	0.133	C	C	.	.	S	Bend	trans	-155.7	172.4	170.4	-169.7	5.9	0	0	0	108	T105 A109 S175 A427 V524	T105-D111 WeakPolarHBondContact CG2-O 3.13Å; A109-D111 PolarHBondContact O-N 2.94Å; D111-S175 PolarHBondContact OD2-OG 3.34Å; D111-S175 VanDerWaalsContact OD2-OG 3.08Å; D111-A427 HydrophobicContact CB-CB 4.14Å; D111-V524 HydrophobicContact CB-CG1 4.19Å; D111-V524 HydrophobicContact CB-CG2 4Å
112	G	91.2	Very high	91.3	Very high	5 Å²	5	26.5 Å²	26.5	5%	0.052	14%	0.138	C	C	.	.			trans	85.6	9	176.3	0	0	0	0	0	114.9	T114 T115 A116	G112-T114 PolarHBondContact O-N 2.98Å; G112-T115 WeakPolarHBondContact O-CA 3.2Å; G112-T115 WeakPolarHBondContact O-CB 3.34Å; G112-T115 PolarHBondContact O-N 2.97Å; G112-A116 PolarHBondContact O-N 2.78Å
113	T	93.8	Very high	91.6	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-42.4	-176.7	61.5	0	0	0	0	112.3	V78 N106 A116 T117	V78-T113 HydrophobicContact CB-CG2 3.91Å; V78-T113 HydrophobicContact CG1-CG2 4.23Å; V78-T113 PolarHBondContact N-OG1 3.22Å; N106-T113 HydrophobicContact CB-CG2 3.65Å; T113-A116 PolarHBondContact O-N 3.3Å; T113-T117 WeakPolarHBondContact O-CB 3.39Å; T113-T117 PolarHBondContact O-N 3.44Å; T113-T117 PolarHBondContact O-OG1 3.1Å
114	T	95.5	Very high	91.8	Very high	18 Å²	18	25.5 Å²	25.5	11%	0.11	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-39.2	174.4	-49.1	0	0	0	0	111.4	V51 T54 M55 G77 G112 T117 V118	V51-T114 HydrophobicContact CG1-CG2 3.78Å; V51-T114 WeakPolarHBondContact O-CG2 3.45Å; T54-T114 PolarHBondContact OG1-OG1 3.34Å; M55-T114 HydrophobicContact CB-CG2 3.73Å; M55-T114 HydrophobicContact CE-CG2 3.79Å; M55-T114 WeakPolarHBondContact CE-O 3.31Å; M55-T114 HydrophobicContact CG-CG2 4.34Å; G77-T114 WeakPolarHBondContact CA-OG1 3.35Å; G112-T114 PolarHBondContact O-N 2.98Å; T114-T117 PolarHBondContact O-N 2.98Å; T114-V118 PolarHBondContact O-N 3.45Å; T114-V118 VanDerWaalsContact O-N 3.09Å
115	T	96.9	Very high	92.1	Very high	39 Å²	39	29.1 Å²	29.1	24%	0.239	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-47.1	176.5	-58.6	0	0	0	0	111.4	G112 T117 V118 L119 P475 A528	G112-T115 WeakPolarHBondContact O-CA 3.2Å; G112-T115 WeakPolarHBondContact O-CB 3.34Å; G112-T115 PolarHBondContact O-N 2.97Å; T115-T117 VanDerWaalsContact C-N 3.29Å; T115-T117 PolarHBondContact O-N 3.14Å; T115-V118 VanDerWaalsContact O-CG2 3.31Å; T115-V118 WeakPolarHBondContact O-CG2 3.49Å; T115-V118 PolarHBondContact O-N 2.95Å; T115-L119 HydrophobicContact CG2-CD1 3.9Å; T115-L119 HydrophobicContact CG2-CG 4.41Å; T115-L119 WeakPolarHBondContact O-CB 3.44Å; T115-L119 VanDerWaalsContact O-CG 3.23Å; T115-L119 WeakPolarHBondContact O-CG 3.36Å; T115-L119 PolarHBondContact O-N 2.65Å; T115-P475 HydrophobicContact CG2-CB 4.38Å; T115-P475 HydrophobicContact CG2-CG 4.04Å; T115-A528 HydrophobicContact CG2-CB 4.24Å
116	A	97.3	Very high	92.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-41	176.7	0	0	0	0	0	111.4	V101 T105 G112 T113 L119 A120 A528 A532	V101-A116 HydrophobicContact CG1-CB 3.63Å; T105-A116 HydrophobicContact CG2-CB 4.16Å; T105-A116 WeakPolarHBondContact OG1-CB 3.34Å; G112-A116 PolarHBondContact O-N 2.78Å; T113-A116 PolarHBondContact O-N 3.3Å; A116-L119 PolarHBondContact O-N 2.88Å; A116-A120 VanDerWaalsContact O-CB 3.27Å; A116-A120 WeakPolarHBondContact O-CB 3.38Å; A116-A120 PolarHBondContact O-N 3.12Å; A116-A528 HydrophobicContact CB-CB 3.9Å; A116-A532 WeakPolarHBondContact O-CB 3.42Å
117	T	97.1	Very high	92.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-47.9	178.9	-62.1	0	0	0	0	112.6	L47 A48 V51 V98 T113 T114 T115 A120 R121	L47-T117 HydrophobicContact CD2-CG2 3.96Å; A48-T117 HydrophobicContact CB-CG2 3.94Å; V51-T117 HydrophobicContact CB-CG2 3.91Å; V51-T117 HydrophobicContact CG1-CG2 3.84Å; V51-T117 HydrophobicContact CG2-CG2 4.34Å; V98-T117 HydrophobicContact CG1-CG2 3.7Å; T113-T117 WeakPolarHBondContact O-CB 3.39Å; T113-T117 PolarHBondContact O-N 3.44Å; T113-T117 PolarHBondContact O-OG1 3.1Å; T114-T117 PolarHBondContact O-N 2.98Å; T115-T117 VanDerWaalsContact C-N 3.29Å; T115-T117 PolarHBondContact O-N 3.14Å; T117-A120 PolarHBondContact O-N 3.08Å; T117-R121 PolarHBondContact O-N 3.39Å
118	V	97.5	Very high	92.9	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.03	11%	0.11	C	C	.	.	H	α-helix	trans	-71.1	-32.9	-179.7	-59	0	0	0	0	112.5	A52 M55 T114 T115 A122 I474 T478	A52-V118 HydrophobicContact CB-CG1 3.73Å; M55-V118 HydrophobicContact CE-CB 4.37Å; M55-V118 HydrophobicContact CE-CG1 4Å; M55-V118 HydrophobicContact CE-CG2 3.43Å; M55-V118 VanDerWaalsContact CE-CG2 3.43Å; M55-V118 HydrophobicContact SD-CG2 4.43Å; T114-V118 PolarHBondContact O-N 3.45Å; T114-V118 VanDerWaalsContact O-N 3.09Å; T115-V118 VanDerWaalsContact O-CG2 3.31Å; T115-V118 WeakPolarHBondContact O-CG2 3.49Å; T115-V118 PolarHBondContact O-N 2.95Å; V118-A122 WeakPolarHBondContact O-CB 3.4Å; V118-A122 PolarHBondContact O-N 3.39Å; V118-A122 VanDerWaalsContact O-N 3.12Å; V118-I474 HydrophobicContact CB-CG2 4.11Å; V118-I474 HydrophobicContact CG2-CG2 4.15Å; V118-T478 HydrophobicContact CG1-CG2 4.47Å
119	L	97.8	Very high	93.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.8	-46.6	172.8	-70.5	173.1	0	0	0	110.5	T115 A116 R121 A122 I123 L444 T471 P475 L529 A532	T115-L119 HydrophobicContact CG2-CD1 3.9Å; T115-L119 HydrophobicContact CG2-CG 4.41Å; T115-L119 WeakPolarHBondContact O-CB 3.44Å; T115-L119 VanDerWaalsContact O-CG 3.23Å; T115-L119 WeakPolarHBondContact O-CG 3.36Å; T115-L119 PolarHBondContact O-N 2.65Å; A116-L119 PolarHBondContact O-N 2.88Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 2.96Å; L119-A122 PolarHBondContact O-N 3.41Å; L119-A122 VanDerWaalsContact O-N 3.16Å; L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.94Å; L119-L444 HydrophobicContact CD1-CD1 4.42Å; L119-T471 HydrophobicContact CB-CG2 4.33Å; L119-T471 HydrophobicContact CD2-CG2 3.59Å; L119-P475 HydrophobicContact CD2-CG 3.8Å; L119-P475 HydrophobicContact CG-CG 4.15Å; L119-L529 HydrophobicContact CD1-CB 4.37Å; L119-L529 HydrophobicContact CD1-CD1 4.28Å; L119-A532 HydrophobicContact CB-CB 3.67Å
120	A	97.1	Very high	93.7	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-43.9	-179.9	0	0	0	0	0	111.3	V101 A116 T117 I123 A124 A532 A536	V101-A120 HydrophobicContact CG1-CB 4.31Å; V101-A120 HydrophobicContact CG2-CB 4.27Å; A116-A120 VanDerWaalsContact O-CB 3.27Å; A116-A120 WeakPolarHBondContact O-CB 3.38Å; A116-A120 PolarHBondContact O-N 3.12Å; T117-A120 PolarHBondContact O-N 3.08Å; A120-I123 PolarHBondContact O-N 3.05Å; A120-A124 VanDerWaalsContact O-CB 3.28Å; A120-A124 WeakPolarHBondContact O-CB 3.22Å; A120-A124 PolarHBondContact O-N 3.35Å; A120-A532 HydrophobicContact CB-CB 3.96Å; A120-A536 HydrophobicContact CB-CB 4.39Å; A120-A536 WeakPolarHBondContact O-CB 3.46Å
121	R	96.3	Very high	94.2	Very high	50 Å²	50	24.5 Å²	24.5	19%	0.189	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-49.3	173.9	-175.5	-151.6	-177.7	161.2	12.9	111.9	V44 D45 A48 D49 T117 L119 A124 R125	V44-R121 HydrophobicContact CG1-CB 4.1Å; V44-R121 HydrophobicContact CG1-CG 4.01Å; D45-R121 IonicContact OD1-CZ 2.7Å; D45-R121 VanDerWaalsContact OD1-CZ 3.26Å; D45-R121 IonicContact OD1-NE 3.53Å; D45-R121 PolarHBondContact OD1-NE 3.49Å; D45-R121 IonicContact OD1-NH2 2.74Å; D45-R121 PolarHBondContact OD1-NH2 3Å; A48-R121 HydrophobicContact CB-CB 3.72Å; A48-R121 HydrophobicContact CB-CG 3.78Å; D49-R121 IonicContact OD1-CZ 3.1Å; D49-R121 IonicContact OD1-NH1 3.35Å; D49-R121 PolarHBondContact OD1-NH1 3.3Å; D49-R121 IonicContact OD1-NH2 3.23Å; D49-R121 PolarHBondContact OD1-NH2 3.04Å; D49-R121 IonicContact OD2-CZ 3.54Å; D49-R121 IonicContact OD2-NH2 2.89Å; D49-R121 PolarHBondContact OD2-NH2 3.04Å; D49-R121 VanDerWaalsContact OD2-NH2 3.16Å; T117-R121 PolarHBondContact O-N 3.39Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 2.96Å; R121-A124 PolarHBondContact O-N 2.79Å; R121-R125 WeakPolarHBondContact O-CB 3.25Å; R121-R125 PolarHBondContact O-N 3.38Å
122	A	96.7	Very high	94	Very high	13 Å²	13	26.3 Å²	26.3	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-42.9	-177.5	0	0	0	0	0	112.3	V118 L119 R125 E126 T471 I474	V118-A122 WeakPolarHBondContact O-CB 3.4Å; V118-A122 PolarHBondContact O-N 3.39Å; V118-A122 VanDerWaalsContact O-N 3.12Å; L119-A122 PolarHBondContact O-N 3.41Å; L119-A122 VanDerWaalsContact O-N 3.16Å; A122-R125 PolarHBondContact O-N 2.8Å; A122-E126 WeakPolarHBondContact O-CB 3.06Å; A122-E126 PolarHBondContact O-N 3.31Å; A122-T471 HydrophobicContact CB-CG2 3.79Å; A122-I474 HydrophobicContact CB-CB 4.43Å; A122-I474 HydrophobicContact CB-CD1 4.31Å; A122-I474 HydrophobicContact CB-CG1 3.72Å; A122-I474 HydrophobicContact CB-CG2 4.36Å
123	I	96.6	Very high	93.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-46.1	175.8	-64	171.1	0	0	0	110.5	L119 A120 G127 I467 I468 T471 A533 A536	L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.94Å; A120-I123 PolarHBondContact O-N 3.05Å; I123-G127 PolarHBondContact O-N 2.83Å; I123-I467 HydrophobicContact CB-CG2 4.49Å; I123-I467 HydrophobicContact CG1-CG2 4.5Å; I123-I467 HydrophobicContact CG2-CG2 4.23Å; I123-I468 HydrophobicContact CD1-CD1 3.75Å; I123-I468 HydrophobicContact CG1-CD1 4.12Å; I123-T471 HydrophobicContact CD1-CG2 4.11Å; I123-T471 HydrophobicContact CG1-CG2 3.53Å; I123-A533 HydrophobicContact CD1-CB 3.82Å; I123-A536 HydrophobicContact CB-CB 3.73Å; I123-A536 HydrophobicContact CG2-CB 3.64Å
124	A	94.8	Very high	93.4	Very high	1 Å²	1	36 Å²	36	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-180	0	0	0	0	0	112	A120 R121 G127 F128 A536 L539	A120-A124 VanDerWaalsContact O-CB 3.28Å; A120-A124 WeakPolarHBondContact O-CB 3.22Å; A120-A124 PolarHBondContact O-N 3.35Å; R121-A124 PolarHBondContact O-N 2.79Å; A124-G127 PolarHBondContact O-N 2.71Å; A124-F128 WeakPolarHBondContact O-CB 3.22Å; A124-F128 WeakPolarHBondContact O-CD2 3.37Å; A124-F128 VanDerWaalsContact O-CG 3.25Å; A124-F128 WeakPolarHBondContact O-CG 3.3Å; A124-F128 PolarHBondContact O-N 2.9Å; A124-A536 HydrophobicContact CB-CB 4.21Å; A124-L539 HydrophobicContact CB-CD2 4.2Å
125	R	94.2	Very high	93.1	Very high	141 Å²	141	35.9 Å²	35.9	53%	0.532	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-51.1	-179.8	-175.6	174.9	-179.2	179.5	1.8	112.1	L41 R121 A122 E129	L41-R125 HydrophobicContact CD1-CB 4.09Å; L41-R125 HydrophobicContact CD2-CG 4.38Å; R121-R125 WeakPolarHBondContact O-CB 3.25Å; R121-R125 PolarHBondContact O-N 3.38Å; A122-R125 PolarHBondContact O-N 2.8Å; R125-E129 PolarHBondContact O-N 3.12Å; R125-E129 VanDerWaalsContact O-N 3.16Å
126	E	93.3	Very high	93	Very high	39 Å²	39	37.3 Å²	37.3	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-41.8	178.1	-76.9	-86.2	-169.6	0	0	110.8	A122 F128 E129 K130 I467 R470	A122-E126 WeakPolarHBondContact O-CB 3.06Å; A122-E126 PolarHBondContact O-N 3.31Å; E126-F128 PolarHBondContact O-N 3.39Å; E126-E129 PolarHBondContact O-N 2.86Å; E126-K130 WeakPolarHBondContact O-CG 3.3Å; E126-K130 PolarHBondContact O-N 2.91Å; E126-K130 VanDerWaalsContact O-N 3.12Å; E126-I467 HydrophobicContact CB-CG1 4.09Å; E126-I467 HydrophobicContact CB-CG2 4.05Å; E126-R470 VanDerWaalsContact OE1-CD 3.32Å; E126-R470 WeakPolarHBondContact OE1-CD 3.46Å; E126-R470 IonicContact OE1-NH1 3.8Å; E126-R470 PolarHBondContact OE1-NH1 3.07Å; E126-R470 IonicContact OE2-NH1 3.73Å; E126-R470 PolarHBondContact OE2-NH1 3.46Å
127	G	92.6	Very high	92.8	Very high	1 Å²	1	39 Å²	39	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-51.3	175.8	0	0	0	0	0	112.8	I123 A124 E129 K130 I131	I123-G127 PolarHBondContact O-N 2.83Å; A124-G127 PolarHBondContact O-N 2.71Å; G127-E129 VanDerWaalsContact C-N 3.31Å; G127-E129 PolarHBondContact O-N 3.3Å; G127-K130 PolarHBondContact O-N 2.97Å; G127-I131 WeakPolarHBondContact O-CD1 3.39Å; G127-I131 VanDerWaalsContact O-CG1 3.26Å; G127-I131 WeakPolarHBondContact O-CG1 3.38Å; G127-I131 PolarHBondContact O-N 2.63Å
128	F	91.2	Very high	92.6	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.039	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-34.9	178.3	-71.9	-22.8	0	0	0	113.7	R37 M40 L41 A124 E126 S132 L539	R37-F128 HydrophobicContact CB-CD1 4.16Å; R37-F128 HydrophobicContact CB-CD2 4.36Å; R37-F128 HydrophobicContact CB-CE1 4.05Å; R37-F128 HydrophobicContact CB-CE2 4.3Å; R37-F128 HydrophobicContact CB-CG 4.28Å; R37-F128 HydrophobicContact CB-CZ 4.12Å; R37-F128 VanDerWaalsContact CD-CD1 3.48Å; R37-F128 HydrophobicContact CG-CD1 3.95Å; R37-F128 HydrophobicContact CG-CE1 3.65Å; R37-F128 HydrophobicContact CG-CZ 4.07Å; M40-F128 HydrophobicContact CE-CZ 4.27Å; L41-F128 HydrophobicContact CB-CD2 3.87Å; L41-F128 HydrophobicContact CB-CE2 3.9Å; L41-F128 HydrophobicContact CD1-CD2 4Å; L41-F128 HydrophobicContact CD1-CE2 4.29Å; L41-F128 HydrophobicContact CD2-CD2 4.17Å; L41-F128 HydrophobicContact CG-CD2 4.23Å; A124-F128 WeakPolarHBondContact O-CB 3.22Å; A124-F128 WeakPolarHBondContact O-CD2 3.37Å; A124-F128 VanDerWaalsContact O-CG 3.25Å; A124-F128 WeakPolarHBondContact O-CG 3.3Å; A124-F128 PolarHBondContact O-N 2.9Å; E126-F128 PolarHBondContact O-N 3.39Å; F128-S132 WeakPolarHBondContact O-CB 3.39Å; F128-S132 PolarHBondContact O-N 3.3Å; F128-S132 VanDerWaalsContact O-N 3.14Å; F128-S132 PolarHBondContact O-OG 2.81Å; F128-L539 HydrophobicContact CE1-CG 4.28Å; F128-L539 WeakPolarHBondContact CE1-O 3.43Å; F128-L539 HydrophobicContact CE2-CD2 4.49Å; F128-L539 HydrophobicContact CE2-CG 4.45Å; F128-L539 HydrophobicContact CZ-CD1 3.96Å; F128-L539 HydrophobicContact CZ-CD2 4.14Å; F128-L539 HydrophobicContact CZ-CG 3.64Å
129	E	90.1	Very high	92.6	Very high	89 Å²	89	43.6 Å²	43.6	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-42.1	176.3	-164.1	-163.1	134.9	0	0	111.5	R125 E126 G127 K133	R125-E129 PolarHBondContact O-N 3.12Å; R125-E129 VanDerWaalsContact O-N 3.16Å; E126-E129 PolarHBondContact O-N 2.86Å; G127-E129 VanDerWaalsContact C-N 3.31Å; G127-E129 PolarHBondContact O-N 3.3Å; E129-K133 IonicContact OE1-NZ 2.77Å; E129-K133 PolarHBondContact OE1-NZ 3.36Å
130	K	91	Very high	92.5	Very high	39 Å²	39	43.8 Å²	43.8	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-38.8	-179.6	-59.1	-60.9	179.8	-171.6	0	112.3	E126 G127 S132 K133 A135 I140 I463 I467	E126-K130 WeakPolarHBondContact O-CG 3.3Å; E126-K130 PolarHBondContact O-N 2.91Å; E126-K130 VanDerWaalsContact O-N 3.12Å; G127-K130 PolarHBondContact O-N 2.97Å; K130-S132 VanDerWaalsContact C-N 3.32Å; K130-S132 PolarHBondContact O-N 2.98Å; K130-K133 WeakPolarHBondContact O-CA 3.41Å; K130-K133 WeakPolarHBondContact O-CB 3.32Å; K130-K133 PolarHBondContact O-N 2.82Å; K130-A135 WeakPolarHBondContact O-CB 3.44Å; K130-I140 HydrophobicContact CB-CD1 4.2Å; K130-I463 HydrophobicContact CB-CG2 3.82Å; K130-I463 HydrophobicContact CD-CG2 4.06Å; K130-I463 HydrophobicContact CG-CG2 3.58Å; K130-I467 HydrophobicContact CG-CD1 4.45Å
131	I	89.3	Confident	92.4	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.082	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-37.9	178.2	-66.9	161.7	0	0	0	111.1	G127 K133 G134 P137 I140 S540	G127-I131 WeakPolarHBondContact O-CD1 3.39Å; G127-I131 VanDerWaalsContact O-CG1 3.26Å; G127-I131 WeakPolarHBondContact O-CG1 3.38Å; G127-I131 PolarHBondContact O-N 2.63Å; I131-K133 PolarHBondContact O-N 3.43Å; I131-G134 PolarHBondContact O-N 3.31Å; I131-P137 HydrophobicContact CD1-CB 3.68Å; I131-P137 HydrophobicContact CG1-CB 3.98Å; I131-I140 HydrophobicContact CG1-CD1 3.98Å; I131-S540 WeakPolarHBondContact CD1-O 2.91Å
132	S	83.2	Confident	92.4	Very high	77 Å²	77	53.1 Å²	53.1	54%	0.538	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.4	173.4	-60.4	0	0	0	0	113.3	F128 K130	F128-S132 WeakPolarHBondContact O-CB 3.39Å; F128-S132 PolarHBondContact O-N 3.3Å; F128-S132 VanDerWaalsContact O-N 3.14Å; F128-S132 PolarHBondContact O-OG 2.81Å; K130-S132 VanDerWaalsContact C-N 3.32Å; K130-S132 PolarHBondContact O-N 2.98Å
133	K	86.3	Confident	92.4	Very high	142 Å²	142	52.5 Å²	52.5	62%	0.617	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	7.7	175.6	-61.6	174.8	-171.1	172.3	0	113.4	E129 K130 I131	E129-K133 IonicContact OE1-NZ 2.77Å; E129-K133 PolarHBondContact OE1-NZ 3.36Å; K130-K133 WeakPolarHBondContact O-CA 3.41Å; K130-K133 WeakPolarHBondContact O-CB 3.32Å; K130-K133 PolarHBondContact O-N 2.82Å; I131-K133 PolarHBondContact O-N 3.43Å
134	G	85.9	Confident	92.4	Very high	71 Å²	71	52.5 Å²	52.5	73%	0.732	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	9	174.6	0	0	0	0	0	115.5	I131	I131-G134 PolarHBondContact O-N 3.31Å
135	A	90.7	Very high	92.5	Very high	16 Å²	16	55.2 Å²	55.2	13%	0.132	28%	0.281	C	S	.	.			trans	-71	148.6	177.3	0	0	0	0	0	112.2	K130 P137 I140 D460 I463	K130-A135 WeakPolarHBondContact O-CB 3.44Å; A135-P137 VanDerWaalsContact O-CD 3.31Å; A135-P137 WeakPolarHBondContact O-CD 3.38Å; A135-I140 HydrophobicContact CB-CD1 3.56Å; A135-I140 HydrophobicContact CB-CG1 4.46Å; A135-D460 WeakPolarHBondContact CA-OD1 3.49Å; A135-D460 WeakPolarHBondContact CB-OD1 3.3Å; A135-I463 HydrophobicContact CB-CD1 4.05Å
136	N	93.6	Very high	92.6	Very high	70 Å²	70	51.6 Å²	51.6	37%	0.374	27%	0.271	S	S	.	.			trans	-76.1	114.7	179.8	-175.3	-25.3	0	0	0	110.9	V138 E139 I140 D460	N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 3.12Å; N136-V138 WeakPolarHBondContact OD1-CB 3.5Å; N136-V138 PolarHBondContact OD1-N 2.82Å; N136-E139 HydrophobicContact CB-CB 4.21Å; N136-E139 HydrophobicContact CB-CG 4.34Å; N136-E139 PolarHBondContact O-N 2.96Å; N136-I140 WeakPolarHBondContact O-CG1 3.47Å; N136-I140 PolarHBondContact O-N 2.76Å; N136-D460 HydrophobicContact CB-CB 4.47Å; N136-D460 WeakPolarHBondContact CB-OD2 3.44Å; N136-D460 PolarHBondContact N-OD1 3.45Å; N136-D460 VanDerWaalsContact N-OD1 3.12Å; N136-D460 PolarHBondContact N-OD2 2.95Å
137	P	93	Very high	92.8	Very high	35 Å²	35	49.7 Å²	49.7	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-29.1	-175.3	25.7	-34.4	0	0	0	113.5	I131 A135 R141 T541	I131-P137 HydrophobicContact CD1-CB 3.68Å; I131-P137 HydrophobicContact CG1-CB 3.98Å; A135-P137 VanDerWaalsContact O-CD 3.31Å; A135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-R141 WeakPolarHBondContact O-CB 3.23Å; P137-R141 PolarHBondContact O-N 2.87Å; P137-T541 HydrophobicContact CB-CG2 4.15Å
138	V	94.6	Very high	93	Very high	74 Å²	74	49.7 Å²	49.7	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-72.7	-41.6	180	179.5	0	0	0	0	110.8	N136 R141 R142	N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 3.12Å; N136-V138 WeakPolarHBondContact OD1-CB 3.5Å; N136-V138 PolarHBondContact OD1-N 2.82Å; V138-R141 PolarHBondContact O-N 2.81Å; V138-R142 WeakPolarHBondContact O-CG 3.42Å; V138-R142 PolarHBondContact O-N 3.02Å; V138-R142 VanDerWaalsContact O-N 3.07Å
139	E	96.1	Very high	93.3	Very high	27 Å²	27	53.6 Å²	53.6	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-71	-37.2	176.4	-70.1	-59.7	134.7	0	0	111.7	N136 R141 R142 G143 N458 D460 Q461	N136-E139 HydrophobicContact CB-CB 4.21Å; N136-E139 HydrophobicContact CB-CG 4.34Å; N136-E139 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.48Å; E139-R142 WeakPolarHBondContact O-CB 3.31Å; E139-R142 PolarHBondContact O-N 3.39Å; E139-R142 IonicContact OE1-CZ 3.53Å; E139-R142 IonicContact OE1-NE 2.97Å; E139-R142 IonicContact OE1-NH1 2.68Å; E139-R142 PolarHBondContact OE1-NH1 2.78Å; E139-G143 PolarHBondContact O-N 2.86Å; E139-N458 PolarHBondContact OE2-ND2 3.2Å; E139-D460 HydrophobicContact CB-CB 3.44Å; E139-D460 VanDerWaalsContact CB-CB 3.44Å; E139-D460 HydrophobicContact CG-CB 4.48Å; E139-Q461 HydrophobicContact CB-CG 4.49Å; E139-Q461 WeakPolarHBondContact O-CG 3.31Å; E139-Q461 PolarHBondContact OE2-NE2 2.89Å
140	I	95.3	Very high	93.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-48.4	169.7	-71.9	168.9	0	0	0	110.4	K130 I131 A135 N136 R142 G143 V144 D460 I463 I467	K130-I140 HydrophobicContact CB-CD1 4.2Å; I131-I140 HydrophobicContact CG1-CD1 3.98Å; A135-I140 HydrophobicContact CB-CD1 3.56Å; A135-I140 HydrophobicContact CB-CG1 4.46Å; N136-I140 WeakPolarHBondContact O-CG1 3.47Å; N136-I140 PolarHBondContact O-N 2.76Å; I140-R142 VanDerWaalsContact C-N 3.3Å; I140-R142 PolarHBondContact O-N 3.03Å; I140-G143 PolarHBondContact O-N 3.01Å; I140-G143 VanDerWaalsContact O-N 3.12Å; I140-V144 HydrophobicContact CG2-CG2 4.27Å; I140-V144 WeakPolarHBondContact O-CG2 3.36Å; I140-V144 PolarHBondContact O-N 3.31Å; I140-D460 HydrophobicContact CG1-CB 4.37Å; I140-I463 HydrophobicContact CD1-CG2 4.12Å; I140-I463 HydrophobicContact CG1-CB 4.34Å; I140-I463 HydrophobicContact CG1-CG2 4.1Å; I140-I467 HydrophobicContact CG2-CD1 3.7Å
141	R	95.3	Very high	94	Very high	102 Å²	102	48.4 Å²	48.4	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-58	-42.2	177.6	174.3	169	-176.6	-127.5	-1.9	111.9	P137 V138 E139 V144 M145 T541	P137-R141 WeakPolarHBondContact O-CB 3.23Å; P137-R141 PolarHBondContact O-N 2.87Å; V138-R141 PolarHBondContact O-N 2.81Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.48Å; R141-V144 PolarHBondContact O-N 2.89Å; R141-M145 WeakPolarHBondContact O-CG 3.38Å; R141-M145 PolarHBondContact O-N 3.29Å; R141-T541 HydrophobicContact CB-CG2 4.4Å
142	R	95.8	Very high	94.4	Very high	147 Å²	147	48.6 Å²	48.6	56%	0.555	26%	0.264	S	S	*	.	H	α-helix	trans	-60.4	-44.4	174.9	-72.1	174.2	174.7	179.2	-6.1	111.8	V138 E139 I140 M145 L146 Q461	V138-R142 WeakPolarHBondContact O-CG 3.42Å; V138-R142 PolarHBondContact O-N 3.02Å; V138-R142 VanDerWaalsContact O-N 3.07Å; E139-R142 WeakPolarHBondContact O-CB 3.31Å; E139-R142 PolarHBondContact O-N 3.39Å; E139-R142 IonicContact OE1-CZ 3.53Å; E139-R142 IonicContact OE1-NE 2.97Å; E139-R142 IonicContact OE1-NH1 2.68Å; E139-R142 PolarHBondContact OE1-NH1 2.78Å; I140-R142 VanDerWaalsContact C-N 3.3Å; I140-R142 PolarHBondContact O-N 3.03Å; R142-M145 PolarHBondContact O-N 3.22Å; R142-L146 WeakPolarHBondContact O-CB 3.44Å; R142-L146 PolarHBondContact O-N 3.47Å; R142-Q461 HydrophobicContact CB-CG 4.34Å
143	G	96.8	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-39.9	175.7	0	0	0	0	0	113.4	E139 I140 L146 A147 Q461	E139-G143 PolarHBondContact O-N 2.86Å; I140-G143 PolarHBondContact O-N 3.01Å; I140-G143 VanDerWaalsContact O-N 3.12Å; G143-L146 PolarHBondContact O-N 2.98Å; G143-A147 WeakPolarHBondContact O-CB 3.34Å; G143-A147 PolarHBondContact O-N 3.17Å; G143-Q461 WeakPolarHBondContact CA-O 3.36Å
144	V	97.2	Very high	95.5	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-50.4	174.5	166.4	0	0	0	0	110.8	I140 R141 L146 A147 V148 G464 I468 A533	I140-V144 HydrophobicContact CG2-CG2 4.27Å; I140-V144 WeakPolarHBondContact O-CG2 3.36Å; I140-V144 PolarHBondContact O-N 3.31Å; R141-V144 PolarHBondContact O-N 2.89Å; V144-L146 PolarHBondContact O-N 3Å; V144-A147 PolarHBondContact O-N 3.46Å; V144-V148 HydrophobicContact CG1-CG2 4.46Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.37Å; V144-V148 PolarHBondContact O-N 3.03Å; V144-G464 WeakPolarHBondContact CG2-O 3.13Å; V144-I468 HydrophobicContact CB-CG1 4.42Å; V144-I468 HydrophobicContact CG1-CD1 3.93Å; V144-I468 HydrophobicContact CG1-CG1 4.01Å; V144-I468 HydrophobicContact CG2-CG1 4.46Å; V144-A533 HydrophobicContact CG1-CB 4.04Å
145	M	96.6	Very high	95.9	Very high	59 Å²	59	40.9 Å²	40.9	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-41.7	-179.9	-65.3	-57.4	-61.2	0	0	111.7	R141 R142 A147 V148 D149	R141-M145 WeakPolarHBondContact O-CG 3.38Å; R141-M145 PolarHBondContact O-N 3.29Å; R142-M145 PolarHBondContact O-N 3.22Å; M145-A147 VanDerWaalsContact C-N 3.31Å; M145-A147 PolarHBondContact O-N 2.96Å; M145-V148 PolarHBondContact O-N 2.9Å; M145-D149 PolarHBondContact O-N 2.94Å
146	L	96.9	Very high	96.1	Very high	64 Å²	64	46 Å²	46	34%	0.335	23%	0.228	S	C	.	.	H	α-helix	trans	-57.9	-43.2	175.1	-176.8	71.3	0	0	0	112.1	R142 G143 V144 A150 L454 I465	R142-L146 WeakPolarHBondContact O-CB 3.44Å; R142-L146 PolarHBondContact O-N 3.47Å; G143-L146 PolarHBondContact O-N 2.98Å; V144-L146 PolarHBondContact O-N 3Å; L146-A150 PolarHBondContact O-N 3.08Å; L146-L454 HydrophobicContact CG-CD1 4.48Å; L146-L454 HydrophobicContact CG-CD2 4.37Å; L146-I465 HydrophobicContact CD2-CD1 4.4Å
147	A	97.8	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-40.6	177	0	0	0	0	0	112.4	G143 V144 M145 A150 V151 L451 L454 I465 I468	G143-A147 WeakPolarHBondContact O-CB 3.34Å; G143-A147 PolarHBondContact O-N 3.17Å; V144-A147 PolarHBondContact O-N 3.46Å; M145-A147 VanDerWaalsContact C-N 3.31Å; M145-A147 PolarHBondContact O-N 2.96Å; A147-A150 PolarHBondContact O-N 2.83Å; A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.2Å; A147-V151 PolarHBondContact O-N 2.85Å; A147-L451 HydrophobicContact CB-CD2 3.7Å; A147-L454 HydrophobicContact CB-CD1 4.3Å; A147-I465 HydrophobicContact CB-CB 4.42Å; A147-I465 HydrophobicContact CB-CG1 4.23Å; A147-I465 HydrophobicContact CB-CG2 4.4Å; A147-I468 HydrophobicContact CB-CB 3.81Å; A147-I468 HydrophobicContact CB-CG1 3.93Å; A147-I468 HydrophobicContact CB-CG2 3.93Å
148	V	97.6	Very high	96.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-45.6	176.9	170.1	0	0	0	0	111	V144 M145 A150 V151 I152 I468 L529 A533	V144-V148 HydrophobicContact CG1-CG2 4.46Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.37Å; V144-V148 PolarHBondContact O-N 3.03Å; M145-V148 PolarHBondContact O-N 2.9Å; V148-A150 VanDerWaalsContact C-N 3.29Å; V148-A150 PolarHBondContact O-N 3.13Å; V148-V151 PolarHBondContact O-N 2.65Å; V148-V151 VanDerWaalsContact O-N 3.16Å; V148-I152 HydrophobicContact CG1-CD1 3.66Å; V148-I152 HydrophobicContact CG1-CG1 4.25Å; V148-I152 WeakPolarHBondContact O-CG1 3.4Å; V148-I152 PolarHBondContact O-N 3.44Å; V148-I468 HydrophobicContact CG2-CD1 3.92Å; V148-I468 HydrophobicContact CG2-CG1 4.21Å; V148-L529 HydrophobicContact CG1-CD2 4.47Å; V148-L529 HydrophobicContact CG1-CG 4.33Å; V148-L529 HydrophobicContact CG2-CG 4.36Å; V148-A533 HydrophobicContact CG2-CB 3.52Å
149	D	96.9	Very high	96.2	Very high	91 Å²	91	48.4 Å²	48.4	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-40.3	178.7	-70.8	-22.1	0	0	0	112	M145 T153	M145-D149 PolarHBondContact O-N 2.94Å; D149-T153 WeakPolarHBondContact O-CB 3.46Å; D149-T153 PolarHBondContact O-N 2.86Å; D149-T153 PolarHBondContact O-OG1 3.35Å
150	A	97.7	Very high	96.1	Very high	20 Å²	20	52.9 Å²	52.9	17%	0.165	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-43.7	175.5	0	0	0	0	0	112.2	L146 A147 V148 T153 E154 L454	L146-A150 PolarHBondContact O-N 3.08Å; A147-A150 PolarHBondContact O-N 2.83Å; V148-A150 VanDerWaalsContact C-N 3.29Å; V148-A150 PolarHBondContact O-N 3.13Å; A150-T153 PolarHBondContact O-N 3.4Å; A150-E154 PolarHBondContact O-N 2.74Å; A150-L454 HydrophobicContact CB-CD1 3.92Å; A150-L454 HydrophobicContact CB-CD2 3.94Å; A150-L454 HydrophobicContact CB-CG 4.27Å
151	V	97.8	Very high	96	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-43.8	177.3	170.8	0	0	0	0	111.2	A147 V148 T153 E154 L155 L444 C447 L451 I468 L472 L529	A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.2Å; A147-V151 PolarHBondContact O-N 2.85Å; V148-V151 PolarHBondContact O-N 2.65Å; V148-V151 VanDerWaalsContact O-N 3.16Å; V151-T153 VanDerWaalsContact C-N 3.31Å; V151-T153 PolarHBondContact O-N 3Å; V151-E154 PolarHBondContact O-N 3.36Å; V151-L155 HydrophobicContact CG1-CD1 4.09Å; V151-L155 HydrophobicContact CG1-CG 4.32Å; V151-L155 WeakPolarHBondContact O-CB 3.08Å; V151-L155 WeakPolarHBondContact O-CG 3.35Å; V151-L155 PolarHBondContact O-N 2.91Å; V151-L444 HydrophobicContact CG1-CD2 4.42Å; V151-C447 HydrophobicContact CB-CB 4.39Å; V151-C447 HydrophobicContact CG1-CB 3.79Å; V151-C447 HydrophobicContact CG2-CB 4.27Å; V151-L451 HydrophobicContact CG2-CD2 3.83Å; V151-L451 HydrophobicContact CG2-CG 4.36Å; V151-I468 HydrophobicContact CG2-CG2 4.42Å; V151-L472 HydrophobicContact CG1-CD2 4.14Å; V151-L472 HydrophobicContact CG2-CD1 3.86Å; V151-L472 HydrophobicContact CG2-CD2 4.46Å; V151-L529 HydrophobicContact CB-CD2 3.99Å; V151-L529 HydrophobicContact CG1-CD2 3.43Å; V151-L529 VanDerWaalsContact CG1-CD2 3.43Å
152	I	96.5	Very high	95.6	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-41.3	177.4	-68.4	172	0	0	0	110.6	V148 E154 L155 K156 R526 M530	V148-I152 HydrophobicContact CG1-CD1 3.66Å; V148-I152 HydrophobicContact CG1-CG1 4.25Å; V148-I152 WeakPolarHBondContact O-CG1 3.4Å; V148-I152 PolarHBondContact O-N 3.44Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 3.07Å; I152-L155 PolarHBondContact O-N 3.25Å; I152-K156 WeakPolarHBondContact O-CG 2.92Å; I152-K156 PolarHBondContact O-N 3.07Å; I152-R526 HydrophobicContact CG1-CB 4.25Å; I152-R526 HydrophobicContact CG2-CB 4.42Å; I152-M530 HydrophobicContact CD1-CB 4.19Å; I152-M530 HydrophobicContact CD1-CG 4.44Å
153	T	96.5	Very high	95	Very high	77 Å²	77	49.9 Å²	49.9	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-41.9	176.1	-60.1	0	0	0	0	111.1	D149 A150 V151 K156 K157	D149-T153 WeakPolarHBondContact O-CB 3.46Å; D149-T153 PolarHBondContact O-N 2.86Å; D149-T153 PolarHBondContact O-OG1 3.35Å; A150-T153 PolarHBondContact O-N 3.4Å; V151-T153 VanDerWaalsContact C-N 3.31Å; V151-T153 PolarHBondContact O-N 3Å; T153-K156 PolarHBondContact O-N 2.88Å; T153-K157 PolarHBondContact O-N 3.5Å
154	E	96.2	Very high	94.5	Very high	50 Å²	50	52.2 Å²	52.2	23%	0.234	28%	0.275	C	S	.	.	H	α-helix	trans	-71	-40.1	177.7	-163.1	61.4	-159.9	0	0	112.6	A150 V151 I152 K156 K157 L158 C447 A450	A150-E154 PolarHBondContact O-N 2.74Å; V151-E154 PolarHBondContact O-N 3.36Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 3.07Å; E154-K156 VanDerWaalsContact C-N 3.27Å; E154-K156 PolarHBondContact O-N 2.76Å; E154-K157 WeakPolarHBondContact O-CB 3.47Å; E154-K157 PolarHBondContact O-N 3.34Å; E154-K157 WeakPolarHBondContact OE2-CD 3.18Å; E154-K157 IonicContact OE2-NZ 3.69Å; E154-K157 PolarHBondContact OE2-NZ 2.88Å; E154-L158 WeakPolarHBondContact O-CG 3.32Å; E154-L158 PolarHBondContact O-N 3.05Å; E154-C447 HydrophobicContact CB-CB 4.45Å; E154-A450 HydrophobicContact CB-CB 4.06Å; E154-A450 HydrophobicContact CG-CB 4.03Å
155	L	95.4	Very high	93.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-41.8	173.4	-78.9	172.1	0	0	0	111.7	V151 I152 K157 L158 S159 A443 L444 V525 R526	V151-L155 HydrophobicContact CG1-CD1 4.09Å; V151-L155 HydrophobicContact CG1-CG 4.32Å; V151-L155 WeakPolarHBondContact O-CB 3.08Å; V151-L155 WeakPolarHBondContact O-CG 3.35Å; V151-L155 PolarHBondContact O-N 2.91Å; I152-L155 PolarHBondContact O-N 3.25Å; L155-K157 VanDerWaalsContact C-N 3.29Å; L155-K157 PolarHBondContact O-N 3Å; L155-L158 PolarHBondContact O-N 2.9Å; L155-S159 PolarHBondContact O-N 3.24Å; L155-A443 HydrophobicContact CD2-CB 3.81Å; L155-L444 HydrophobicContact CD1-CD2 4.26Å; L155-V525 HydrophobicContact CD1-CG1 3.96Å; L155-V525 HydrophobicContact CD2-CG1 4.16Å; L155-R526 HydrophobicContact CD1-CB 4.41Å
156	K	95	Very high	93.5	Very high	125 Å²	125	57.8 Å²	57.8	54%	0.543	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-32.8	176.4	-74.2	179.1	179.1	-178.5	0	112.8	I152 T153 E154	I152-K156 WeakPolarHBondContact O-CG 2.92Å; I152-K156 PolarHBondContact O-N 3.07Å; T153-K156 PolarHBondContact O-N 2.88Å; E154-K156 VanDerWaalsContact C-N 3.27Å; E154-K156 PolarHBondContact O-N 2.76Å
157	K	95.4	Very high	92.9	Very high	144 Å²	144	57 Å²	57	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-73.6	-34.1	174.5	-63.1	178.4	-158.2	154.7	0	112.5	T153 E154 L155 S159	T153-K157 PolarHBondContact O-N 3.5Å; E154-K157 WeakPolarHBondContact O-CB 3.47Å; E154-K157 PolarHBondContact O-N 3.34Å; E154-K157 WeakPolarHBondContact OE2-CD 3.18Å; E154-K157 IonicContact OE2-NZ 3.69Å; E154-K157 PolarHBondContact OE2-NZ 2.88Å; L155-K157 VanDerWaalsContact C-N 3.29Å; L155-K157 PolarHBondContact O-N 3Å; K157-S159 VanDerWaalsContact C-N 3.31Å
158	L	92.9	Very high	92.5	Very high	59 Å²	59	57.5 Å²	57.5	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-73.9	-23.6	176.4	-68	174.4	0	0	0	112.7	E154 L155 V437 R446	E154-L158 WeakPolarHBondContact O-CG 3.32Å; E154-L158 PolarHBondContact O-N 3.05Å; L155-L158 PolarHBondContact O-N 2.9Å; L158-V437 HydrophobicContact CB-CG1 4.24Å; L158-R446 HydrophobicContact CD1-CB 4.04Å
159	S	95.3	Very high	92.2	Very high	26 Å²	26	58 Å²	58	18%	0.182	31%	0.307	C	S	.	.			trans	-61.3	135.3	-177.6	-168.2	0	0	0	0	112.4	L155 K157 E434 I436 T522	L155-S159 PolarHBondContact O-N 3.24Å; K157-S159 VanDerWaalsContact C-N 3.31Å; S159-E434 PolarHBondContact OG-O 3.12Å; S159-I436 WeakPolarHBondContact CA-O 3.35Å; S159-T522 WeakPolarHBondContact CB-OG1 3.38Å; S159-T522 PolarHBondContact OG-OG1 3.19Å
160	K	93	Very high	91.8	Very high	121 Å²	121	56.9 Å²	56.9	53%	0.526	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-112.9	133.3	172.4	-65.5	-179.4	-179.3	177.9	0	109.9	G435 I436	K160-G435 CarbonylContact O-C 3.36Å; K160-G435 WeakPolarHBondContact O-CA 3.34Å; K160-I436 HydrophobicContact CB-CG1 4.42Å; K160-I436 PolarHBondContact N-O 2.77Å; K160-I436 WeakPolarHBondContact O-CG1 3.47Å; K160-I436 PolarHBondContact O-N 2.89Å
161	P	92.8	Very high	91.4	Very high	98 Å²	98	56 Å²	56	64%	0.636	29%	0.291	S	S	*	.			trans	-68.2	140.6	179	28.2	-33.8	0	0	0	111.1
162	V	88.6	Confident	91.1	Very high	6 Å²	6	56 Å²	56	4%	0.036	29%	0.291	C	S	.	.			trans	-81.7	120.2	175.6	177.9	0	0	0	0	109.8	E167 I168 R195 A431 I436	V162-E167 HydrophobicContact CG1-CB 3.8Å; V162-I168 HydrophobicContact CG1-CG1 3.61Å; V162-R195 PolarHBondContact O-NH1 3.18Å; V162-A431 HydrophobicContact CG2-CB 4.12Å; V162-I436 HydrophobicContact CG2-CB 4.29Å; V162-I436 HydrophobicContact CG2-CD1 4.18Å; V162-I436 HydrophobicContact CG2-CG1 3.95Å; V162-I436 HydrophobicContact CG2-CG2 3.48Å; V162-I436 VanDerWaalsContact CG2-CG2 3.48Å
163	T	82.6	Confident	90.8	Very high	86 Å²	86	56.2 Å²	56.2	53%	0.528	29%	0.293	S	S	.	.			trans	-119.3	-29.1	-174.3	59.5	0	0	0	0	113	E167 R195	T163-E167 PolarHBondContact N-OE2 2.95Å; T163-E167 PolarHBondContact OG1-OE2 3.5Å; T163-R195 PolarHBondContact O-NH2 2.82Å
164	T	86	Confident	90.4	Very high	48 Å²	48	54.7 Å²	54.7	29%	0.294	28%	0.282	S	S	.	.	S	Bend	trans	-106.1	147.5	-172.4	64.7	0	0	0	0	112.3	E166 E167 I168	T164-E166 WeakPolarHBondContact CB-OE2 3.43Å; T164-E166 PolarHBondContact O-N 3.27Å; T164-E167 PolarHBondContact N-OE2 3.38Å; T164-E167 PolarHBondContact O-N 3.39Å; T164-E167 WeakPolarHBondContact OG1-CB 3.2Å; T164-E167 WeakPolarHBondContact OG1-CG 3.31Å; T164-E167 PolarHBondContact OG1-N 3.47Å; T164-E167 PolarHBondContact OG1-OE2 2.96Å; T164-I168 PolarHBondContact O-N 2.93Å
165	P	85.4	Confident	90	Very high	56 Å²	56	53.1 Å²	53.1	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-27.5	171.8	-24	34.6	0	0	0	113.8	I168 A169 S187	P165-I168 WeakPolarHBondContact O-CB 3.39Å; P165-I168 PolarHBondContact O-N 3.16Å; P165-A169 PolarHBondContact O-N 3.27Å; P165-S187 PolarHBondContact O-OG 3.15Å
166	E	86.6	Confident	89.6	Confident	123 Å²	123	53 Å²	53	58%	0.575	28%	0.276	S	S	*	.	H	α-helix	trans	-67.6	-43.8	176.9	-65.1	73	-161.1	0	0	111.2	T164 I168 A169 Q170	T164-E166 WeakPolarHBondContact CB-OE2 3.43Å; T164-E166 PolarHBondContact O-N 3.27Å; E166-I168 VanDerWaalsContact C-N 3.32Å; E166-I168 PolarHBondContact O-N 3.34Å; E166-A169 PolarHBondContact O-N 2.93Å; E166-Q170 VanDerWaalsContact O-CG 3.32Å; E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 3.13Å
167	E	85.9	Confident	89.1	Confident	47 Å²	47	50 Å²	50	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-39.6	173.1	-73.7	162.9	157.2	0	0	111.5	V162 T163 T164 Q170 V171	V162-E167 HydrophobicContact CG1-CB 3.8Å; T163-E167 PolarHBondContact N-OE2 2.95Å; T163-E167 PolarHBondContact OG1-OE2 3.5Å; T164-E167 PolarHBondContact N-OE2 3.38Å; T164-E167 PolarHBondContact O-N 3.39Å; T164-E167 WeakPolarHBondContact OG1-CB 3.2Å; T164-E167 WeakPolarHBondContact OG1-CG 3.31Å; T164-E167 PolarHBondContact OG1-N 3.47Å; T164-E167 PolarHBondContact OG1-OE2 2.96Å; E167-Q170 WeakPolarHBondContact O-CB 3.29Å; E167-Q170 PolarHBondContact O-N 3.03Å; E167-V171 WeakPolarHBondContact O-CG2 3.43Å; E167-V171 PolarHBondContact O-N 3.4Å
168	I	88.9	Confident	88.6	Confident	10 Å²	10	45 Å²	45	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-47.1	174.8	-68.4	177.3	0	0	0	110.4	V162 T164 P165 E166 Q170 V171 A172 M190 T428 V432	V162-I168 HydrophobicContact CG1-CG1 3.61Å; T164-I168 PolarHBondContact O-N 2.93Å; P165-I168 WeakPolarHBondContact O-CB 3.39Å; P165-I168 PolarHBondContact O-N 3.16Å; E166-I168 VanDerWaalsContact C-N 3.32Å; E166-I168 PolarHBondContact O-N 3.34Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 2.94Å; I168-V171 PolarHBondContact O-N 2.82Å; I168-A172 WeakPolarHBondContact O-CB 3.3Å; I168-A172 PolarHBondContact O-N 3.48Å; I168-M190 HydrophobicContact CD1-SD 4.48Å; I168-M190 HydrophobicContact CG2-SD 3.73Å; I168-T428 HydrophobicContact CB-CG2 4.39Å; I168-T428 HydrophobicContact CG2-CG2 3.46Å; I168-T428 VanDerWaalsContact CG2-CG2 3.46Å; I168-V432 HydrophobicContact CD1-CG2 4.33Å; I168-V432 HydrophobicContact CG1-CG2 4.41Å
169	A	90.9	Very high	88.4	Confident	12 Å²	12	43.9 Å²	43.9	10%	0.099	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-37.5	177.5	0	0	0	0	0	112	P165 E166 A172 T173	P165-A169 PolarHBondContact O-N 3.27Å; E166-A169 PolarHBondContact O-N 2.93Å; A169-A172 PolarHBondContact O-N 2.85Å; A169-T173 VanDerWaalsContact O-CB 3.29Å; A169-T173 WeakPolarHBondContact O-CB 3.4Å; A169-T173 PolarHBondContact O-N 2.95Å; A169-T173 PolarHBondContact O-OG1 2.97Å
170	Q	88.1	Confident	88.1	Confident	66 Å²	66	49.2 Å²	49.2	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-51.2	175.6	-74.5	174.1	-5.2	0	0	111.6	E166 E167 I168 A172 T173 I174 I519	E166-Q170 VanDerWaalsContact O-CG 3.32Å; E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 3.13Å; E167-Q170 WeakPolarHBondContact O-CB 3.29Å; E167-Q170 PolarHBondContact O-N 3.03Å; I168-Q170 VanDerWaalsContact C-N 3.32Å; I168-Q170 PolarHBondContact O-N 2.94Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-A172 PolarHBondContact O-N 2.73Å; Q170-T173 PolarHBondContact O-N 3.41Å; Q170-I174 WeakPolarHBondContact O-CD1 3.43Å; Q170-I174 WeakPolarHBondContact O-CG1 3.33Å; Q170-I174 PolarHBondContact O-N 3.02Å; Q170-I519 HydrophobicContact CB-CD1 4.12Å
171	V	89.8	Confident	88	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-55	-50	176.4	175.2	0	0	0	0	110.5	E167 I168 T173 I174 S175 A427 A431 I436 I519 P521	E167-V171 WeakPolarHBondContact O-CG2 3.43Å; E167-V171 PolarHBondContact O-N 3.4Å; I168-V171 PolarHBondContact O-N 2.82Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 2.89Å; V171-I174 PolarHBondContact O-N 3.42Å; V171-S175 PolarHBondContact O-N 2.97Å; V171-S175 VanDerWaalsContact O-N 3.13Å; V171-A427 HydrophobicContact CG1-CB 4.37Å; V171-A431 HydrophobicContact CB-CB 4.43Å; V171-A431 HydrophobicContact CG1-CB 3.89Å; V171-A431 HydrophobicContact CG2-CB 3.93Å; V171-I436 HydrophobicContact CG2-CG2 3.71Å; V171-I519 HydrophobicContact CG2-CD1 3.48Å; V171-I519 VanDerWaalsContact CG2-CD1 3.48Å; V171-I519 HydrophobicContact CG2-CG1 4.01Å; V171-P521 HydrophobicContact CG1-CG 4.03Å
172	A	91.3	Very high	87.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-41.2	-180	0	0	0	0	0	112.2	I168 A169 Q170 A176 I186 A424 T428	I168-A172 WeakPolarHBondContact O-CB 3.3Å; I168-A172 PolarHBondContact O-N 3.48Å; A169-A172 PolarHBondContact O-N 2.85Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-A172 PolarHBondContact O-N 2.73Å; A172-A176 WeakPolarHBondContact O-CB 3.29Å; A172-A176 PolarHBondContact O-N 3.12Å; A172-I186 HydrophobicContact CB-CB 4.06Å; A172-I186 HydrophobicContact CB-CD1 4.14Å; A172-I186 HydrophobicContact CB-CG2 4Å; A172-A424 WeakPolarHBondContact O-CB 3.38Å; A172-T428 WeakPolarHBondContact CB-OG1 3.34Å
173	T	90.7	Very high	88.1	Confident	24 Å²	24	43.3 Å²	43.3	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-44.3	179.2	-61.1	0	0	0	0	111.8	A169 Q170 V171 A176 G178 D179 Q180	A169-T173 VanDerWaalsContact O-CB 3.29Å; A169-T173 WeakPolarHBondContact O-CB 3.4Å; A169-T173 PolarHBondContact O-N 2.95Å; A169-T173 PolarHBondContact O-OG1 2.97Å; Q170-T173 PolarHBondContact O-N 3.41Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 2.89Å; T173-A176 CarbonylContact O-C 3.52Å; T173-A176 PolarHBondContact O-N 2.74Å; T173-G178 VanDerWaalsContact O-CA 3.3Å; T173-G178 WeakPolarHBondContact O-CA 3.49Å; T173-G178 PolarHBondContact O-N 3.45Å; T173-D179 PolarHBondContact O-N 2.79Å; T173-Q180 HydrophobicContact CG2-CG 3.91Å
174	I	87.7	Confident	88.5	Confident	46 Å²	46	43.5 Å²	43.5	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-49.2	-177.5	-58.5	151.8	0	0	0	110.3	Q170 V171 A176 N177 G517 I519	Q170-I174 WeakPolarHBondContact O-CD1 3.43Å; Q170-I174 WeakPolarHBondContact O-CG1 3.33Å; Q170-I174 PolarHBondContact O-N 3.02Å; V171-I174 PolarHBondContact O-N 3.42Å; I174-A176 PolarHBondContact O-N 2.91Å; I174-N177 PolarHBondContact O-N 3.37Å; I174-G517 WeakPolarHBondContact CD1-O 3.4Å; I174-G517 WeakPolarHBondContact CG1-O 3.34Å; I174-I519 HydrophobicContact CD1-CB 4.43Å; I174-I519 HydrophobicContact CD1-CG1 3.51Å; I174-I519 VanDerWaalsContact CD1-N 3.33Å; I174-I519 WeakPolarHBondContact CD1-O 3.38Å
175	S	87	Confident	88.8	Confident	16 Å²	16	42.7 Å²	42.7	11%	0.112	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-27.8	176.7	-67.9	0	0	0	0	111.4	D111 V171 N177 A427	D111-S175 PolarHBondContact OD2-OG 3.34Å; D111-S175 VanDerWaalsContact OD2-OG 3.08Å; V171-S175 PolarHBondContact O-N 2.97Å; V171-S175 VanDerWaalsContact O-N 3.13Å; S175-N177 PolarHBondContact O-N 3.46Å; S175-A427 WeakPolarHBondContact OG-CB 3.31Å
176	A	88.1	Confident	89.1	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	26.6	169.7	0	0	0	0	0	114	A172 T173 I174 G178 D179 I182 R420 A424	A172-A176 WeakPolarHBondContact O-CB 3.29Å; A172-A176 PolarHBondContact O-N 3.12Å; T173-A176 CarbonylContact O-C 3.52Å; T173-A176 PolarHBondContact O-N 2.74Å; I174-A176 PolarHBondContact O-N 2.91Å; A176-G178 VanDerWaalsContact C-N 3.25Å; A176-G178 PolarHBondContact O-N 3.34Å; A176-D179 HydrophobicContact CB-CB 4.02Å; A176-D179 VanDerWaalsContact O-CB 3.22Å; A176-D179 WeakPolarHBondContact O-CB 3.43Å; A176-D179 PolarHBondContact O-N 2.86Å; A176-D179 VanDerWaalsContact O-N 3.12Å; A176-I182 HydrophobicContact CB-CB 3.88Å; A176-I182 HydrophobicContact CB-CD1 4.17Å; A176-I182 HydrophobicContact CB-CG2 3.6Å; A176-R420 HydrophobicContact CB-CG 4.04Å; A176-R420 VanDerWaalsContact O-CD 3.32Å; A176-R420 WeakPolarHBondContact O-CD 3.38Å; A176-A424 HydrophobicContact CB-CB 3.95Å
177	N	84.9	Confident	89.3	Confident	60 Å²	60	34.8 Å²	34.8	32%	0.321	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.8	178.5	-65.5	-58.6	0	0	0	114.8	K75 I174 S175	K75-N177 WeakPolarHBondContact CE-OD1 3.24Å; K75-N177 PolarHBondContact NZ-OD1 3.03Å; I174-N177 PolarHBondContact O-N 3.37Å; S175-N177 PolarHBondContact O-N 3.46Å
178	G	83.8	Confident	89.5	Confident	40 Å²	40	36.3 Å²	36.3	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	9.6	-179.1	0	0	0	0	0	114.6	T173 A176 Q180	T173-G178 VanDerWaalsContact O-CA 3.3Å; T173-G178 WeakPolarHBondContact O-CA 3.49Å; T173-G178 PolarHBondContact O-N 3.45Å; A176-G178 VanDerWaalsContact C-N 3.25Å; A176-G178 PolarHBondContact O-N 3.34Å; G178-Q180 PolarHBondContact O-N 2.99Å
179	D	88.3	Confident	89.5	Confident	36 Å²	36	35.9 Å²	35.9	19%	0.193	20%	0.195	C	C	.	.			trans	-79.1	102.6	178.5	-166.5	-33.9	0	0	0	111.4	T173 A176 E181 I182 G183 R420	T173-D179 PolarHBondContact O-N 2.79Å; A176-D179 HydrophobicContact CB-CB 4.02Å; A176-D179 VanDerWaalsContact O-CB 3.22Å; A176-D179 WeakPolarHBondContact O-CB 3.43Å; A176-D179 PolarHBondContact O-N 2.86Å; A176-D179 VanDerWaalsContact O-N 3.12Å; D179-E181 VanDerWaalsContact C-N 3.32Å; D179-E181 PolarHBondContact O-N 3.27Å; D179-E181 WeakPolarHBondContact OD1-CB 3.47Å; D179-E181 PolarHBondContact OD1-N 3.43Å; D179-I182 HydrophobicContact CB-CB 4.22Å; D179-I182 HydrophobicContact CB-CD1 3.92Å; D179-I182 HydrophobicContact CB-CG1 4.2Å; D179-I182 PolarHBondContact OD1-N 2.82Å; D179-I182 WeakPolarHBondContact OD2-CD1 3.38Å; D179-G183 PolarHBondContact O-N 2.73Å; D179-R420 IonicContact OD2-NH1 2.81Å
180	Q	89.7	Confident	89.3	Confident	138 Å²	138	35.6 Å²	35.6	65%	0.645	19%	0.192	S	C	*	.	H	α-helix	trans	-69.8	-27.9	-179.6	-67.4	-178.1	-0.6	0	0	112.9	T173 G178 G183 N184	T173-Q180 HydrophobicContact CG2-CG 3.91Å; G178-Q180 PolarHBondContact O-N 2.99Å; Q180-G183 PolarHBondContact O-N 2.85Å; Q180-N184 WeakPolarHBondContact O-CB 3.36Å; Q180-N184 PolarHBondContact O-N 3.37Å; Q180-N184 PolarHBondContact O-ND2 3.08Å; Q180-N184 VanDerWaalsContact O-ND2 3.07Å
181	E	90.3	Very high	89.2	Confident	99 Å²	99	39.9 Å²	39.9	46%	0.463	21%	0.21	S	C	.	.	H	α-helix	trans	-67.3	-47.3	179.6	-170.7	178.2	-179.8	0	0	109.6	D179 G183 N184 I185	D179-E181 VanDerWaalsContact C-N 3.32Å; D179-E181 PolarHBondContact O-N 3.27Å; D179-E181 WeakPolarHBondContact OD1-CB 3.47Å; D179-E181 PolarHBondContact OD1-N 3.43Å; E181-G183 VanDerWaalsContact C-N 3.33Å; E181-G183 PolarHBondContact O-N 2.91Å; E181-N184 PolarHBondContact O-N 3.43Å; E181-I185 HydrophobicContact CG-CD1 4.08Å; E181-I185 WeakPolarHBondContact O-CB 3.41Å; E181-I185 VanDerWaalsContact O-CG1 3.31Å; E181-I185 WeakPolarHBondContact O-CG1 3.47Å; E181-I185 PolarHBondContact O-N 2.81Å
182	I	91.5	Very high	88.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-45.4	173.8	-66.6	174.1	0	0	0	110.7	A176 D179 N184 I185 I186 K417 R420 V421 A424	A176-I182 HydrophobicContact CB-CB 3.88Å; A176-I182 HydrophobicContact CB-CD1 4.17Å; A176-I182 HydrophobicContact CB-CG2 3.6Å; D179-I182 HydrophobicContact CB-CB 4.22Å; D179-I182 HydrophobicContact CB-CD1 3.92Å; D179-I182 HydrophobicContact CB-CG1 4.2Å; D179-I182 PolarHBondContact OD1-N 2.82Å; D179-I182 WeakPolarHBondContact OD2-CD1 3.38Å; I182-N184 PolarHBondContact O-N 3.05Å; I182-I185 PolarHBondContact O-N 2.76Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.37Å; I182-I186 WeakPolarHBondContact O-CG1 3.21Å; I182-I186 PolarHBondContact O-N 3.5Å; I182-K417 HydrophobicContact CD1-CG 4.17Å; I182-R420 HydrophobicContact CD1-CG 4.33Å; I182-V421 HydrophobicContact CD1-CG2 3.66Å; I182-V421 HydrophobicContact CG1-CG2 3.87Å; I182-V421 HydrophobicContact CG2-CB 4.48Å; I182-V421 HydrophobicContact CG2-CG2 3.87Å; I182-A424 HydrophobicContact CG2-CB 4.28Å
183	G	91.9	Very high	88.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-45.2	-179.7	0	0	0	0	0	113.5	D179 Q180 E181 I186 S187	D179-G183 PolarHBondContact O-N 2.73Å; Q180-G183 PolarHBondContact O-N 2.85Å; E181-G183 VanDerWaalsContact C-N 3.33Å; E181-G183 PolarHBondContact O-N 2.91Å; G183-I186 PolarHBondContact O-N 3.38Å; G183-S187 PolarHBondContact O-N 3.35Å
184	N	92.4	Very high	87.9	Confident	89 Å²	89	45.6 Å²	45.6	48%	0.476	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-44.7	177.6	-71	-29.4	0	0	0	111.7	Q180 E181 I182 I186 S187 D188	Q180-N184 WeakPolarHBondContact O-CB 3.36Å; Q180-N184 PolarHBondContact O-N 3.37Å; Q180-N184 PolarHBondContact O-ND2 3.08Å; Q180-N184 VanDerWaalsContact O-ND2 3.07Å; E181-N184 PolarHBondContact O-N 3.43Å; I182-N184 PolarHBondContact O-N 3.05Å; N184-I186 VanDerWaalsContact C-N 3.33Å; N184-I186 PolarHBondContact O-N 3.06Å; N184-S187 PolarHBondContact O-N 2.91Å; N184-D188 WeakPolarHBondContact O-CB 3.28Å; N184-D188 PolarHBondContact O-N 3.46Å
185	I	92.3	Very high	87.3	Confident	31 Å²	31	49.1 Å²	49.1	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-39.5	179.8	-75.1	175.4	0	0	0	111.4	E181 I182 D188 A189 D209 L404	E181-I185 HydrophobicContact CG-CD1 4.08Å; E181-I185 WeakPolarHBondContact O-CB 3.41Å; E181-I185 VanDerWaalsContact O-CG1 3.31Å; E181-I185 WeakPolarHBondContact O-CG1 3.47Å; E181-I185 PolarHBondContact O-N 2.81Å; I182-I185 PolarHBondContact O-N 2.76Å; I185-D188 PolarHBondContact O-N 2.92Å; I185-A189 WeakPolarHBondContact O-CB 3.45Å; I185-A189 PolarHBondContact O-N 3.37Å; I185-D209 HydrophobicContact CD1-CB 3.61Å; I185-L404 HydrophobicContact CG2-CD2 3.06Å; I185-L404 HydrophobicContact CG2-CG 4.49Å
186	I	91	Very high	86.5	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-43	175.7	-70.9	171.3	0	0	0	110.9	A172 I182 G183 N184 A189 M190 L404 A424 L425 T428	A172-I186 HydrophobicContact CB-CB 4.06Å; A172-I186 HydrophobicContact CB-CD1 4.14Å; A172-I186 HydrophobicContact CB-CG2 4Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.37Å; I182-I186 WeakPolarHBondContact O-CG1 3.21Å; I182-I186 PolarHBondContact O-N 3.5Å; G183-I186 PolarHBondContact O-N 3.38Å; N184-I186 VanDerWaalsContact C-N 3.33Å; N184-I186 PolarHBondContact O-N 3.06Å; I186-A189 WeakPolarHBondContact O-CB 3.15Å; I186-A189 PolarHBondContact O-N 2.98Å; I186-M190 PolarHBondContact O-N 3.46Å; I186-L404 HydrophobicContact CG1-CD1 4.23Å; I186-A424 HydrophobicContact CD1-CB 3.56Å; I186-L425 HydrophobicContact CG2-CD1 4.49Å; I186-T428 HydrophobicContact CG2-CG2 4.3Å
187	S	91.3	Very high	85.7	Confident	12 Å²	12	58.8 Å²	58.8	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-43.6	176.4	-170.8	0	0	0	0	111.6	P165 G183 N184 A189 M190 K191	P165-S187 PolarHBondContact O-OG 3.15Å; G183-S187 PolarHBondContact O-N 3.35Å; N184-S187 PolarHBondContact O-N 2.91Å; S187-A189 PolarHBondContact O-N 3.14Å; S187-M190 PolarHBondContact O-N 3.08Å; S187-K191 WeakPolarHBondContact O-CB 3.3Å; S187-K191 PolarHBondContact O-N 3.38Å
188	D	90.3	Very high	85.4	Confident	80 Å²	80	57.3 Å²	57.3	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-41	174.7	-83.1	-15.1	0	0	0	112.4	N184 I185 K191 K192 L211	N184-D188 WeakPolarHBondContact O-CB 3.28Å; N184-D188 PolarHBondContact O-N 3.46Å; I185-D188 PolarHBondContact O-N 2.92Å; D188-K191 PolarHBondContact O-N 3.04Å; D188-K192 VanDerWaalsContact O-CG 3.31Å; D188-K192 WeakPolarHBondContact O-CG 3.19Å; D188-K192 PolarHBondContact O-N 3.25Å; D188-K192 VanDerWaalsContact O-N 3.15Å; D188-L211 HydrophobicContact CB-CD2 4.06Å
189	A	88.6	Confident	85.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-52.7	174.9	0	0	0	0	0	110.5	I185 I186 S187 K191 K192 V193 I199 L211 A402	I185-A189 WeakPolarHBondContact O-CB 3.45Å; I185-A189 PolarHBondContact O-N 3.37Å; I186-A189 WeakPolarHBondContact O-CB 3.15Å; I186-A189 PolarHBondContact O-N 2.98Å; S187-A189 PolarHBondContact O-N 3.14Å; A189-K191 VanDerWaalsContact C-N 3.29Å; A189-K191 PolarHBondContact O-N 2.91Å; A189-K192 PolarHBondContact O-N 3.32Å; A189-K192 VanDerWaalsContact O-N 3.08Å; A189-V193 VanDerWaalsContact O-CG2 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.43Å; A189-V193 PolarHBondContact O-N 2.87Å; A189-I199 HydrophobicContact CB-CD1 3.91Å; A189-I199 HydrophobicContact CB-CG1 4.44Å; A189-I199 HydrophobicContact CB-CG2 4.33Å; A189-L211 HydrophobicContact CB-CD1 3.71Å; A189-L211 HydrophobicContact CB-CD2 4.09Å; A189-A402 HydrophobicContact CB-CB 4.04Å
190	M	85.8	Confident	85	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-34.6	178.3	-79	-164.5	148.9	0	0	113.4	I168 I186 S187 K192 G194 I199 T428 R429 V432	I168-M190 HydrophobicContact CD1-SD 4.48Å; I168-M190 HydrophobicContact CG2-SD 3.73Å; I186-M190 PolarHBondContact O-N 3.46Å; S187-M190 PolarHBondContact O-N 3.08Å; M190-K192 VanDerWaalsContact C-N 3.3Å; M190-K192 PolarHBondContact O-N 2.87Å; M190-G194 CarbonylContact O-C 3.53Å; M190-G194 WeakPolarHBondContact O-CA 3.39Å; M190-G194 PolarHBondContact O-N 3.48Å; M190-I199 HydrophobicContact CB-CD1 4.43Å; M190-I199 HydrophobicContact CG-CD1 3.53Å; M190-T428 HydrophobicContact CE-CG2 3.78Å; M190-T428 HydrophobicContact SD-CG2 3.41Å; M190-T428 WeakPolarHBondContact SD-CG2 3.32Å; M190-R429 HydrophobicContact CE-CG 3.88Å; M190-V432 HydrophobicContact CE-CG2 4.48Å
191	K	86.2	Confident	84.7	Confident	156 Å²	156	49 Å²	49	68%	0.678	24%	0.239	S	C	*	.	H	α-helix	trans	-65.5	-36	175.9	-173.9	175.9	-179.2	177.8	0	111.9	S187 D188 A189	S187-K191 WeakPolarHBondContact O-CB 3.3Å; S187-K191 PolarHBondContact O-N 3.38Å; D188-K191 PolarHBondContact O-N 3.04Å; A189-K191 VanDerWaalsContact C-N 3.29Å; A189-K191 PolarHBondContact O-N 2.91Å
192	K	84.2	Confident	84.2	Confident	115 Å²	115	45.7 Å²	45.7	50%	0.5	22%	0.224	S	C	.	.	H	α-helix	trans	-84.5	-38.1	-177.7	-64.1	-179.6	-159.9	174.2	0	113.9	D188 A189 M190 L211 I213	D188-K192 VanDerWaalsContact O-CG 3.31Å; D188-K192 WeakPolarHBondContact O-CG 3.19Å; D188-K192 PolarHBondContact O-N 3.25Å; D188-K192 VanDerWaalsContact O-N 3.15Å; A189-K192 PolarHBondContact O-N 3.32Å; A189-K192 VanDerWaalsContact O-N 3.08Å; M190-K192 VanDerWaalsContact C-N 3.3Å; M190-K192 PolarHBondContact O-N 2.87Å; K192-L211 HydrophobicContact CD-CD2 4.43Å; K192-I213 HydrophobicContact CB-CD1 3.83Å; K192-I213 HydrophobicContact CD-CD1 3.26Å; K192-I213 HydrophobicContact CD-CG1 4.11Å; K192-I213 HydrophobicContact CG-CD1 4.08Å
193	V	82.1	Confident	83.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-95.4	-3.1	179.9	-56.1	0	0	0	0	113.4	A189 G197 I199 G400 A402	A189-V193 VanDerWaalsContact O-CG2 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.43Å; A189-V193 PolarHBondContact O-N 2.87Å; V193-G197 WeakPolarHBondContact O-CA 3.42Å; V193-I199 HydrophobicContact CG2-CD1 4.13Å; V193-I199 HydrophobicContact CG2-CG1 3.72Å; V193-G400 WeakPolarHBondContact CG1-O 3.29Å; V193-A402 HydrophobicContact CG1-CB 3.57Å; V193-A402 HydrophobicContact CG2-CB 4.3Å
194	G	78.9	Confident	83	Confident	30 Å²	30	50.5 Å²	50.5	31%	0.309	25%	0.253	S	S	.	.			trans	80.3	164.6	-173.5	0	0	0	0	0	113.2	M190 K196 G197	M190-G194 CarbonylContact O-C 3.53Å; M190-G194 WeakPolarHBondContact O-CA 3.39Å; M190-G194 PolarHBondContact O-N 3.48Å; G194-K196 PolarHBondContact O-N 3.17Å; G194-G197 PolarHBondContact O-N 3.34Å
195	R	74.7	Confident	82.4	Confident	120 Å²	120	56.5 Å²	56.5	45%	0.453	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.9	-177.1	-72	-175.2	-173.3	-156.7	-1.3	114.2	V162 T163 V432	V162-R195 PolarHBondContact O-NH1 3.18Å; T163-R195 PolarHBondContact O-NH2 2.82Å; R195-V432 HydrophobicContact CB-CG1 3.99Å; R195-V432 HydrophobicContact CG-CG1 4.31Å
196	K	69.6	Low	82.2	Confident	206 Å²	206	57.8 Å²	57.8	90%	0.896	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	8	177.4	-64.1	-172.6	176.9	-174.9	0	112.6	G194	G194-K196 PolarHBondContact O-N 3.17Å
197	G	72.6	Confident	82	Confident	12 Å²	12	63.3 Å²	63.3	12%	0.124	31%	0.313	C	S	.	.			trans	-67.2	157	-179.4	0	0	0	0	0	112.8	V193 G194	V193-G197 WeakPolarHBondContact O-CA 3.42Å; G194-G197 PolarHBondContact O-N 3.34Å
198	V	77.6	Confident	81.8	Confident	29 Å²	29	68.1 Å²	68.1	18%	0.176	34%	0.338	C	S	.	.			trans	-83.9	123.1	178.8	-173.4	0	0	0	0	108.7	T200 K218 M356 V401 A402	V198-T200 HydrophobicContact CG1-CG2 4.16Å; V198-K218 HydrophobicContact CB-CB 4.42Å; V198-K218 HydrophobicContact CG1-CB 4Å; V198-K218 HydrophobicContact CG1-CD 4.01Å; V198-K218 HydrophobicContact CG2-CB 3.57Å; V198-K218 HydrophobicContact CG2-CD 4.15Å; V198-K218 HydrophobicContact CG2-CG 4.46Å; V198-M356 HydrophobicContact CG1-SD 4.27Å; V198-V401 HydrophobicContact CB-CG1 4.16Å; V198-V401 HydrophobicContact CB-CG2 4.12Å; V198-V401 HydrophobicContact CG1-CG1 3.88Å; V198-V401 HydrophobicContact CG1-CG2 4.31Å; V198-V401 WeakPolarHBondContact O-CA 3.31Å; V198-A402 PolarHBondContact O-N 2.98Å
199	I	83	Confident	81.8	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.2	174.8	-50.6	176.4	0	0	0	107.1	A189 M190 V193 A402 L404 L425 R429	A189-I199 HydrophobicContact CB-CD1 3.91Å; A189-I199 HydrophobicContact CB-CG1 4.44Å; A189-I199 HydrophobicContact CB-CG2 4.33Å; M190-I199 HydrophobicContact CB-CD1 4.43Å; M190-I199 HydrophobicContact CG-CD1 3.53Å; V193-I199 HydrophobicContact CG2-CD1 4.13Å; V193-I199 HydrophobicContact CG2-CG1 3.72Å; I199-A402 CarbonylContact C-O 3.38Å; I199-A402 WeakPolarHBondContact CA-O 3.07Å; I199-A402 HydrophobicContact CB-CB 4.44Å; I199-A402 HydrophobicContact CG1-CB 4.13Å; I199-A402 HydrophobicContact CG2-CB 4.19Å; I199-L404 HydrophobicContact CG2-CD1 3.47Å; I199-L404 VanDerWaalsContact CG2-CD1 3.47Å; I199-L404 HydrophobicContact CG2-CG 4.01Å; I199-L425 HydrophobicContact CB-CD1 3.74Å; I199-L425 HydrophobicContact CB-CD2 3.94Å; I199-L425 HydrophobicContact CD1-CD1 3.67Å; I199-L425 HydrophobicContact CG1-CD1 4.21Å; I199-L425 HydrophobicContact CG2-CD1 3.88Å; I199-L425 HydrophobicContact CG2-CD2 3.96Å; I199-R429 VanDerWaalsContact N-NH2 3.2Å; I199-R429 PolarHBondContact O-NH2 3.29Å
200	T	80.2	Confident	81.8	Confident	11 Å²	11	69.1 Å²	69.1	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.9	-179.1	63.6	0	0	0	0	110.5	V198 M356 V401 A402 V403 L404	V198-T200 HydrophobicContact CG1-CG2 4.16Å; T200-M356 HydrophobicContact CG2-CE 4.06Å; T200-M356 HydrophobicContact CG2-SD 3.36Å; T200-M356 WeakPolarHBondContact CG2-SD 3.32Å; T200-V401 HydrophobicContact CG2-CG1 3.88Å; T200-A402 PolarHBondContact N-O 3.48Å; T200-A402 PolarHBondContact OG1-O 3.13Å; T200-V403 WeakPolarHBondContact O-CA 3.47Å; T200-V403 WeakPolarHBondContact OG1-CG2 3.22Å; T200-L404 PolarHBondContact O-N 2.89Å
201	V	83.4	Confident	82	Confident	22 Å²	22	70.9 Å²	70.9	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	-177.8	-169.5	0	0	0	0	109.9	L404 V406 K418 V421 L425	V201-L404 CarbonylContact C-O 3.53Å; V201-L404 WeakPolarHBondContact CA-O 3.26Å; V201-L404 HydrophobicContact CG2-CB 4.42Å; V201-L404 HydrophobicContact CG2-CD1 4.4Å; 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 4.24Å; V201-V421 HydrophobicContact CG1-CG1 3.87Å; V201-V421 HydrophobicContact CG2-CG1 3.79Å; V201-L425 HydrophobicContact CG2-CD2 4.28Å
202	K	79.8	Confident	81.9	Confident	31 Å²	31	66.2 Å²	66.2	14%	0.135	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	163.8	-177.6	-67.7	-170	-170.5	168.8	0	111.9	G204 E347 L358 V403 L404 K405 V406	K202-G204 PolarHBondContact O-N 3.4Å; K202-E347 WeakPolarHBondContact CE-OE1 3.48Å; K202-E347 IonicContact NZ-OE1 3.84Å; K202-E347 PolarHBondContact NZ-OE1 2.82Å; K202-E347 IonicContact NZ-OE2 3.68Å; K202-E347 PolarHBondContact NZ-OE2 2.68Å; K202-L358 VanDerWaalsContact NZ-CD1 3.27Å; K202-V403 HydrophobicContact CB-CG1 4.29Å; K202-V403 HydrophobicContact CD-CG1 3.62Å; K202-V403 HydrophobicContact CG-CG1 3.9Å; K202-L404 PolarHBondContact N-O 3.14Å; K202-K405 WeakPolarHBondContact O-CA 3.32Å; K202-V406 PolarHBondContact O-N 2.98Å
203	D	78.4	Confident	81.8	Confident	87 Å²	87	64.8 Å²	64.8	47%	0.465	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.5	174.7	-52.8	-23.5	0	0	0	108.4	V414 K418	D203-V414 HydrophobicContact CB-CG1 4.33Å; D203-K418 VanDerWaalsContact OD1-CD 3.25Å; D203-K418 WeakPolarHBondContact OD1-CD 2.85Å; D203-K418 IonicContact OD1-NZ 2.78Å; D203-K418 PolarHBondContact OD1-NZ 2.79Å; D203-K418 IonicContact OD2-NZ 3.78Å
204	G	81.7	Confident	81.6	Confident	15 Å²	15	65.2 Å²	65.2	16%	0.155	33%	0.33	C	S	.	.			trans	-75.8	152.9	172.5	0	0	0	0	0	111.2	K202 V406	K202-G204 PolarHBondContact O-N 3.4Å; G204-V406 VanDerWaalsContact CA-O 3.28Å; G204-V406 WeakPolarHBondContact CA-O 3.47Å; G204-V406 PolarHBondContact N-O 3.24Å
205	K	78.8	Confident	81.4	Confident	216 Å²	216	68.5 Å²	68.5	94%	0.939	34%	0.337	S	S	*	.	S	Bend	trans	-96.8	-8.5	171.1	-64.6	-175.5	-179.8	-179.3	0	112.3
206	T	88.1	Confident	81.7	Confident	57 Å²	57	63.6 Å²	63.6	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-102.7	167	-177.3	49.6	0	0	0	0	109.8	N208 E210 G407 G408	T206-N208 VanDerWaalsContact C-N 3.31Å; T206-N208 PolarHBondContact OG1-O 3.44Å; T206-E210 WeakPolarHBondContact CB-OE1 3.5Å; T206-E210 VanDerWaalsContact CG2-OE1 3.25Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.2Å; T206-E210 PolarHBondContact OG1-OE1 3.03Å; T206-G407 WeakPolarHBondContact O-CA 3.37Å; T206-G408 PolarHBondContact O-N 3.29Å
207	L	86.5	Confident	82.5	Confident	118 Å²	118	54.5 Å²	54.5	62%	0.618	29%	0.285	S	S	*	.	S	Bend	trans	-73.3	-27.4	177	-67.4	174.3	0	0	0	112.3	G407 G408 T409	L207-G407 CarbonylContact O-C 3.53Å; L207-G408 PolarHBondContact O-N 2.88Å; L207-T409 HydrophobicContact CD2-CG2 3.86Å
208	N	87.7	Confident	83.1	Confident	113 Å²	113	56 Å²	56	60%	0.604	29%	0.288	S	S	*	.	S	Bend	trans	-102.3	157.4	-174.5	-58.9	-26.4	0	0	0	110.8	T206	T206-N208 VanDerWaalsContact C-N 3.31Å; T206-N208 PolarHBondContact OG1-O 3.44Å
209	D	89.8	Confident	83.7	Confident	23 Å²	23	54.9 Å²	54.9	12%	0.123	28%	0.28	C	S	.	.			trans	-76.1	140.7	174.3	-60.1	-23.9	0	0	0	110.7	I185 K405 V406 G407 K417	I185-D209 HydrophobicContact CD1-CB 3.61Å; D209-K405 CarbonylContact C-O 3.59Å; D209-K405 VanDerWaalsContact CA-O 3.29Å; D209-K405 WeakPolarHBondContact CA-O 3.43Å; D209-V406 WeakPolarHBondContact OD1-CA 3.45Å; D209-G407 PolarHBondContact OD1-N 3.4Å; D209-K417 WeakPolarHBondContact OD1-CE 3.42Å; D209-K417 IonicContact OD1-NZ 2.65Å; D209-K417 PolarHBondContact OD1-NZ 3.35Å; D209-K417 WeakPolarHBondContact OD2-CE 3.48Å; D209-K417 IonicContact OD2-NZ 2.72Å; D209-K417 PolarHBondContact OD2-NZ 3.32Å
210	E	89.6	Confident	83.9	Confident	77 Å²	77	59.3 Å²	59.3	36%	0.36	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.7	-179.6	-63	171.7	-172	0	0	111	T206 K405	T206-E210 WeakPolarHBondContact CB-OE1 3.5Å; T206-E210 VanDerWaalsContact CG2-OE1 3.25Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.2Å; T206-E210 PolarHBondContact OG1-OE1 3.03Å; E210-K405 HydrophobicContact CB-CB 4.23Å; E210-K405 PolarHBondContact N-O 2.95Å; E210-K405 PolarHBondContact O-N 2.87Å; E210-K405 IonicContact OE2-NZ 3.62Å
211	L	88.3	Confident	84.5	Confident	44 Å²	44	62.8 Å²	62.8	23%	0.23	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.6	170.8	174.6	61.5	0	0	0	109.8	D188 A189 K192 A402 L404	D188-L211 HydrophobicContact CB-CD2 4.06Å; A189-L211 HydrophobicContact CB-CD1 3.71Å; A189-L211 HydrophobicContact CB-CD2 4.09Å; K192-L211 HydrophobicContact CD-CD2 4.43Å; L211-A402 HydrophobicContact CD1-CB 3.89Å; L211-L404 HydrophobicContact CB-CD2 4.4Å; L211-L404 HydrophobicContact CD1-CD2 3.85Å; L211-L404 HydrophobicContact CD1-CG 4.38Å
212	E	85.3	Confident	85	Confident	57 Å²	57	62.2 Å²	62.2	27%	0.266	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.7	173	-167.6	-176.1	157.9	0	0	109.2	I214 K359 V403 K405	E212-I214 HydrophobicContact CB-CD1 4.35Å; E212-I214 HydrophobicContact CB-CG1 4.21Å; E212-I214 HydrophobicContact CG-CD1 3.98Å; E212-I214 HydrophobicContact CG-CG1 3.67Å; E212-I214 WeakPolarHBondContact OE1-CD1 3.38Å; E212-K359 WeakPolarHBondContact OE1-CE 3.36Å; E212-K359 IonicContact OE1-NZ 2.67Å; E212-K359 PolarHBondContact OE1-NZ 3.09Å; E212-V403 PolarHBondContact N-O 2.91Å; E212-V403 PolarHBondContact O-N 3.22Å; E212-K405 WeakPolarHBondContact OE2-CE 3.39Å; E212-K405 IonicContact OE2-NZ 2.83Å; E212-K405 PolarHBondContact OE2-NZ 3.28Å
213	I	82.3	Confident	85.7	Confident	86 Å²	86	61.9 Å²	61.9	44%	0.441	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.3	169.2	-56.2	162.9	0	0	0	107.5	K192	K192-I213 HydrophobicContact CB-CD1 3.83Å; K192-I213 HydrophobicContact CD-CD1 3.26Å; K192-I213 HydrophobicContact CD-CG1 4.11Å; K192-I213 HydrophobicContact CG-CD1 4.08Å
214	I	76.8	Confident	86.5	Confident	10 Å²	10	60 Å²	60	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.4	-172.3	-52.5	-175.9	0	0	0	108.3	E212 G216 K359 G400 V401 V403	E212-I214 HydrophobicContact CB-CD1 4.35Å; E212-I214 HydrophobicContact CB-CG1 4.21Å; E212-I214 HydrophobicContact CG-CD1 3.98Å; E212-I214 HydrophobicContact CG-CG1 3.67Å; E212-I214 WeakPolarHBondContact OE1-CD1 3.38Å; I214-G216 PolarHBondContact O-N 2.81Å; I214-K359 VanDerWaalsContact CD1-CE 3.48Å; I214-K359 HydrophobicContact CG2-CB 4.33Å; I214-K359 HydrophobicContact CG2-CD 4.11Å; I214-K359 HydrophobicContact CG2-CG 3.23Å; I214-G400 CarbonylContact O-C 3.59Å; I214-G400 WeakPolarHBondContact O-CA 3.24Å; I214-V401 PolarHBondContact N-O 3.37Å; I214-V401 PolarHBondContact O-N 3.35Å; I214-V403 HydrophobicContact CB-CG2 4.34Å; I214-V403 HydrophobicContact CD1-CB 3.79Å; I214-V403 HydrophobicContact CD1-CG1 4.43Å; I214-V403 HydrophobicContact CD1-CG2 3.26Å; I214-V403 HydrophobicContact CG1-CB 4.4Å; I214-V403 HydrophobicContact CG1-CG2 3.83Å
215	E	75.3	Confident	87	Confident	99 Å²	99	60 Å²	60	46%	0.463	30%	0.3	S	S	.	.			trans	-62.2	122.8	168.8	-66.8	169	-161.1	0	0	109.1	K359 K364	E215-K359 WeakPolarHBondContact O-CA 3.46Å; E215-K359 PolarHBondContact O-N 3.36Å; E215-K364 WeakPolarHBondContact OE1-CE 3.32Å; E215-K364 IonicContact OE1-NZ 3.88Å; E215-K364 PolarHBondContact OE1-NZ 3.27Å
216	G	81	Confident	87.6	Confident	17 Å²	17	53.3 Å²	53.3	18%	0.175	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	170.3	-176.4	0	0	0	0	0	111.9	I214 L357 V401	I214-G216 PolarHBondContact O-N 2.81Å; G216-L357 CarbonylContact C-O 3.49Å; G216-L357 WeakPolarHBondContact CA-O 3.45Å; G216-V401 VanDerWaalsContact C-CG2 3.47Å
217	M	85.7	Confident	87.8	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.7	-177.3	64.5	-169.5	-48.5	0	0	111.9	M316 A319 M356 L357	M217-M316 HydrophobicContact CE-CB 4.14Å; M217-M316 HydrophobicContact CE-CG 3.21Å; M217-M316 HydrophobicContact CE-SD 4.44Å; M217-M316 HydrophobicContact SD-CB 4.13Å; M217-M316 HydrophobicContact SD-CG 3.56Å; M217-M316 VanDerWaalsContact SD-CG 3.56Å; M217-A319 HydrophobicContact SD-CB 4Å; M217-M356 WeakPolarHBondContact O-CA 3.44Å; M217-L357 HydrophobicContact CG-CB 3.91Å; M217-L357 HydrophobicContact CG-CD1 4.21Å; M217-L357 HydrophobicContact CG-CG 4.38Å; M217-L357 PolarHBondContact N-O 3.11Å; M217-L357 PolarHBondContact O-N 3.3Å; M217-L357 HydrophobicContact SD-CD1 4.17Å
218	K	86.1	Confident	88.2	Confident	44 Å²	44	51.7 Å²	51.7	19%	0.191	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.5	174	-178.6	-173.9	174.7	-169	0	110.3	V198 D354 T355 M356 K396	V198-K218 HydrophobicContact CB-CB 4.42Å; V198-K218 HydrophobicContact CG1-CB 4Å; V198-K218 HydrophobicContact CG1-CD 4.01Å; V198-K218 HydrophobicContact CG2-CB 3.57Å; V198-K218 HydrophobicContact CG2-CD 4.15Å; V198-K218 HydrophobicContact CG2-CG 4.46Å; K218-D354 WeakPolarHBondContact CE-OD1 3.34Å; K218-D354 WeakPolarHBondContact CE-OD2 3.34Å; K218-D354 IonicContact NZ-OD1 3.53Å; K218-D354 PolarHBondContact NZ-OD1 3.16Å; K218-D354 IonicContact NZ-OD2 3.38Å; K218-D354 PolarHBondContact NZ-OD2 2.89Å; K218-T355 WeakPolarHBondContact CA-O 3.45Å; K218-M356 HydrophobicContact CB-CG 4.05Å; K218-M356 HydrophobicContact CD-CG 4.34Å; K218-M356 HydrophobicContact CG-CG 3.82Å; K218-K396 WeakPolarHBondContact O-CD 3.44Å; K218-K396 WeakPolarHBondContact O-CE 3.24Å
219	F	89.4	Confident	88.4	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.8	167.8	62.1	-87.7	0	0	0	112.5	R221 I274 V300 P303 M316 T355 L357	F219-R221 HydrophobicContact CD2-CB 3.83Å; F219-R221 HydrophobicContact CD2-CG 4.25Å; F219-R221 HydrophobicContact CE2-CB 3.84Å; F219-R221 PolarHBondContact O-N 2.83Å; F219-I274 HydrophobicContact CE1-CD1 4.2Å; F219-I274 HydrophobicContact CZ-CD1 3.87Å; F219-I274 HydrophobicContact CZ-CG1 4.42Å; F219-V300 HydrophobicContact CE2-CG1 3.68Å; F219-V300 HydrophobicContact CZ-CG1 4.06Å; F219-P303 HydrophobicContact CB-CB 3.99Å; F219-P303 HydrophobicContact CB-CG 3.93Å; F219-P303 HydrophobicContact CD2-CB 3.87Å; F219-P303 HydrophobicContact CD2-CG 3.68Å; F219-P303 HydrophobicContact CE2-CG 4.33Å; F219-P303 HydrophobicContact CG-CB 4.24Å; F219-P303 HydrophobicContact CG-CG 3.88Å; F219-M316 HydrophobicContact CD1-SD 3.9Å; F219-M316 HydrophobicContact CE1-SD 3.61Å; F219-M316 HydrophobicContact CZ-SD 4.09Å; F219-T355 HydrophobicContact CD1-CG2 4.46Å; F219-T355 HydrophobicContact CE1-CG2 3.57Å; F219-T355 HydrophobicContact CE2-CG2 4.29Å; F219-T355 VanDerWaalsContact CZ-CB 3.47Å; F219-T355 HydrophobicContact CZ-CG2 3.47Å; F219-T355 VanDerWaalsContact CZ-CG2 3.47Å; F219-T355 PolarHBondContact N-O 2.72Å; F219-T355 PolarHBondContact O-N 3.22Å; F219-L357 HydrophobicContact CE1-CD1 4.32Å; F219-L357 HydrophobicContact CE1-CG 4.39Å
220	D	88	Confident	88.4	Confident	100 Å²	100	50.3 Å²	50.3	54%	0.535	25%	0.252	S	S	.	.	S	Bend	trans	-87.2	57.7	-167.4	-43.9	-32	0	0	0	111.4	D353	D220-D353 CarbonylContact C-O 3.52Å; D220-D353 WeakPolarHBondContact CA-O 3.43Å
221	R	92.6	Very high	88.1	Confident	83 Å²	83	48.3 Å²	48.3	31%	0.313	24%	0.244	S	C	.	.			trans	-137.7	125.1	167.8	-65.7	-67.6	-164.2	-167.1	-3.4	109.1	F219 V300 K301 P303 D353 D354 T355	F219-R221 HydrophobicContact CD2-CB 3.83Å; F219-R221 HydrophobicContact CD2-CG 4.25Å; F219-R221 HydrophobicContact CE2-CB 3.84Å; F219-R221 PolarHBondContact O-N 2.83Å; R221-V300 HydrophobicContact CB-CG1 3.82Å; R221-V300 WeakPolarHBondContact O-CG1 3.49Å; R221-K301 VanDerWaalsContact CB-O 3.22Å; R221-K301 WeakPolarHBondContact CB-O 3.38Å; R221-K301 VanDerWaalsContact CG-O 3.29Å; R221-K301 WeakPolarHBondContact CG-O 3.43Å; R221-P303 HydrophobicContact CG-CB 4.26Å; R221-D353 CarbonylContact C-O 3.45Å; R221-D353 VanDerWaalsContact C-O 3.29Å; R221-D353 VanDerWaalsContact CA-O 3.3Å; R221-D353 WeakPolarHBondContact CA-O 2.95Å; R221-D353 PolarHBondContact N-O 3.27Å; R221-D354 CarbonylContact O-C 2.97Å; R221-T355 VanDerWaalsContact O-CB 3.31Å; R221-T355 WeakPolarHBondContact O-CB 3.32Å; R221-T355 PolarHBondContact O-N 3.4Å; R221-T355 VanDerWaalsContact O-N 3.16Å; R221-T355 PolarHBondContact O-OG1 3.29Å
222	G	93.5	Very high	87.2	Confident	11 Å²	11	50.7 Å²	50.7	11%	0.113	27%	0.271	C	S	.	.			trans	-97.9	-168	175	0	0	0	0	0	114.8	T351 K352 D353	G222-T351 CarbonylContact C-O 3.58Å; G222-T351 WeakPolarHBondContact CA-O 3.36Å; G222-K352 VanDerWaalsContact CA-O 3.29Å; G222-K352 WeakPolarHBondContact CA-O 3.31Å; G222-D353 PolarHBondContact N-O 3.46Å
223	Y	95.1	Very high	86.1	Confident	23 Å²	23	54 Å²	54	9%	0.09	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-62.3	140.6	179.6	50.1	-110.1	0	0	0	111.5	S225 P226 I229 Q235 V350 T351 K352	Y223-S225 VanDerWaalsContact C-N 3.26Å; Y223-S225 VanDerWaalsContact CD2-C 3.46Å; Y223-S225 VanDerWaalsContact CD2-O 3.28Å; Y223-S225 WeakPolarHBondContact CD2-O 3.46Å; Y223-S225 PolarHBondContact O-N 3.23Å; Y223-P226 HydrophobicContact CE2-CB 4.03Å; Y223-I229 HydrophobicContact CD1-CG1 4.47Å; Y223-I229 HydrophobicContact CE1-CD1 4.26Å; Y223-I229 HydrophobicContact CE1-CG1 3.84Å; Y223-Q235 WeakPolarHBondContact CE1-O 3.44Å; Y223-Q235 PolarHBondContact OH-O 2.86Å; Y223-V350 HydrophobicContact CD1-CG1 4.1Å; Y223-V350 HydrophobicContact CG-CG1 4.44Å; Y223-V350 VanDerWaalsContact N-CG1 3.32Å; Y223-T351 VanDerWaalsContact CD1-C 3.49Å; Y223-T351 WeakPolarHBondContact CD1-O 3.49Å; Y223-T351 WeakPolarHBondContact CE1-O 3.39Å; Y223-T351 PolarHBondContact N-O 3.02Å; Y223-K352 HydrophobicContact CE2-CB 4.42Å
224	I	94.1	Very high	85.2	Confident	47 Å²	47	52.3 Å²	52.3	24%	0.241	29%	0.288	C	S	.	.	S	Bend	trans	-70.4	-27.8	176.8	-65.2	168.7	0	0	0	111.3	V278 L283 A299 K301	I224-V278 HydrophobicContact CD1-CB 3.73Å; I224-V278 HydrophobicContact CD1-CG2 4.09Å; I224-L283 HydrophobicContact CB-CD1 4.39Å; I224-L283 HydrophobicContact CG2-CD1 3.95Å; I224-L283 HydrophobicContact CG2-CD2 3.75Å; I224-A299 HydrophobicContact CD1-CB 4.13Å; I224-A299 PolarHBondContact N-O 2.91Å; I224-K301 HydrophobicContact CD1-CG 3.87Å; I224-K301 HydrophobicContact CG1-CG 3.87Å
225	S	93.1	Very high	85.4	Confident	15 Å²	15	58.6 Å²	58.6	11%	0.105	32%	0.317	C	S	.	.			trans	-134.6	133.5	-179.5	-171.3	0	0	0	0	111.7	Y223 Y227 F228	Y223-S225 VanDerWaalsContact C-N 3.26Å; Y223-S225 VanDerWaalsContact CD2-C 3.46Å; Y223-S225 VanDerWaalsContact CD2-O 3.28Å; Y223-S225 WeakPolarHBondContact CD2-O 3.46Å; Y223-S225 PolarHBondContact O-N 3.23Å; S225-Y227 PolarHBondContact O-N 3.21Å; S225-Y227 VanDerWaalsContact O-N 3.13Å; S225-Y227 WeakPolarHBondContact OG-CD2 3.33Å; S225-F228 VanDerWaalsContact O-CD2 3.32Å; S225-F228 WeakPolarHBondContact O-CD2 3.44Å; S225-F228 PolarHBondContact O-N 3.4Å
226	P	91.6	Very high	85.9	Confident	77 Å²	77	55.7 Å²	55.7	50%	0.5	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65	-15.5	176.6	28.6	-35.7	0	0	0	112.7	Y223 F228 I229	Y223-P226 HydrophobicContact CE2-CB 4.03Å; P226-F228 PolarHBondContact O-N 3.37Å; P226-F228 VanDerWaalsContact O-N 3.17Å; P226-I229 HydrophobicContact CB-CD1 4.15Å; P226-I229 WeakPolarHBondContact O-CB 3.12Å; P226-I229 VanDerWaalsContact O-CD1 3.3Å; P226-I229 WeakPolarHBondContact O-CD1 3.48Å; P226-I229 WeakPolarHBondContact O-CG1 3.46Å; P226-I229 PolarHBondContact O-N 2.91Å; P226-I229 VanDerWaalsContact O-N 3.14Å
227	Y	92.3	Very high	86.5	Confident	140 Å²	140	54.9 Å²	54.9	55%	0.549	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-68.9	-7.6	175.5	-65.9	-63.9	0	0	0	114	S225 V287 L291	S225-Y227 PolarHBondContact O-N 3.21Å; S225-Y227 VanDerWaalsContact O-N 3.13Å; S225-Y227 WeakPolarHBondContact OG-CD2 3.33Å; Y227-V287 HydrophobicContact CD2-CG1 3.78Å; Y227-V287 HydrophobicContact CG-CG1 3.95Å; Y227-L291 HydrophobicContact CD1-CD1 4.04Å; Y227-L291 HydrophobicContact CD1-CD2 4.16Å; Y227-L291 HydrophobicContact CG-CD1 4.25Å
228	F	94.3	Very high	86.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-80.8	-15.4	171.6	-64.3	-51.2	0	0	0	113.7	S225 P226 N230 C237 L283 L286 V287 R290 V297 V298 A299	S225-F228 VanDerWaalsContact O-CD2 3.32Å; S225-F228 WeakPolarHBondContact O-CD2 3.44Å; S225-F228 PolarHBondContact O-N 3.4Å; P226-F228 PolarHBondContact O-N 3.37Å; P226-F228 VanDerWaalsContact O-N 3.17Å; F228-N230 PolarHBondContact O-N 3.18Å; F228-C237 PolarHBondContact O-SG 3.41Å; F228-C237 VanDerWaalsContact O-SG 3.35Å; F228-L283 HydrophobicContact CE2-CD1 4.1Å; F228-L283 HydrophobicContact CZ-CD1 4.12Å; F228-L286 HydrophobicContact CE1-CB 4.15Å; F228-L286 HydrophobicContact CZ-CB 4.06Å; F228-V287 HydrophobicContact CE1-CG2 4.23Å; F228-V287 HydrophobicContact CZ-CG2 3.97Å; F228-R290 HydrophobicContact CD1-CG 4.32Å; F228-V297 WeakPolarHBondContact CD1-O 3.39Å; F228-V297 HydrophobicContact CE1-CG1 4.16Å; F228-V298 HydrophobicContact CB-CB 4.34Å; F228-V298 HydrophobicContact CB-CG2 3.87Å; F228-V298 HydrophobicContact CD2-CG2 4.16Å; F228-V298 HydrophobicContact CG-CB 4.45Å; F228-V298 HydrophobicContact CG-CG2 4.12Å; F228-A299 HydrophobicContact CE2-CB 3.95Å; F228-A299 HydrophobicContact CZ-CB 4.18Å
229	I	92.7	Very high	87.2	Confident	50 Å²	50	55.4 Å²	55.4	26%	0.256	30%	0.297	S	S	.	.			trans	-52.9	128.4	177.6	-65.1	167.5	0	0	0	109.2	Y223 P226 T231 Q235 K236	Y223-I229 HydrophobicContact CD1-CG1 4.47Å; Y223-I229 HydrophobicContact CE1-CD1 4.26Å; Y223-I229 HydrophobicContact CE1-CG1 3.84Å; P226-I229 HydrophobicContact CB-CD1 4.15Å; P226-I229 WeakPolarHBondContact O-CB 3.12Å; P226-I229 VanDerWaalsContact O-CD1 3.3Å; P226-I229 WeakPolarHBondContact O-CD1 3.48Å; P226-I229 WeakPolarHBondContact O-CG1 3.46Å; P226-I229 PolarHBondContact O-N 2.91Å; P226-I229 VanDerWaalsContact O-N 3.14Å; I229-T231 WeakPolarHBondContact CG2-O 3.11Å; I229-Q235 HydrophobicContact CD1-CB 3.97Å; I229-Q235 HydrophobicContact CD1-CG 4.42Å; I229-K236 WeakPolarHBondContact CG2-O 3.42Å
230	N	90.1	Very high	87.4	Confident	58 Å²	58	62.1 Å²	62.1	31%	0.31	33%	0.329	S	S	.	.			trans	-122.5	-2.1	-179.6	73.1	-7	0	0	0	112.8	F228 K236 C237 E238 F239	F228-N230 PolarHBondContact O-N 3.18Å; N230-K236 PolarHBondContact N-O 2.95Å; N230-C237 VanDerWaalsContact OD1-CA 3.3Å; N230-C237 WeakPolarHBondContact OD1-CA 3.34Å; N230-E238 PolarHBondContact ND2-O 3.11Å; N230-E238 PolarHBondContact OD1-N 2.67Å; N230-F239 WeakPolarHBondContact ND2-CE1 3.14Å
231	T	83.1	Confident	87.7	Confident	34 Å²	34	61.2 Å²	61.2	21%	0.209	32%	0.324	C	S	.	.			trans	-112	133	-179.3	-49.7	0	0	0	0	109.4	I229 K233 K236	I229-T231 WeakPolarHBondContact CG2-O 3.11Å; T231-K233 VanDerWaalsContact C-N 3.32Å; T231-K233 HydrophobicContact CG2-CB 4.36Å; T231-K233 WeakPolarHBondContact CG2-O 3.35Å; T231-K236 HydrophobicContact CG2-CG 4.42Å; T231-K236 PolarHBondContact N-O 2.75Å; T231-K236 PolarHBondContact OG1-O 3.32Å
232	A	69.6	Low	87.8	Confident	95 Å²	95	57.3 Å²	57.3	79%	0.785	31%	0.309	S	S	*	.	S	Bend	trans	-76.4	-21.7	176.1	0	0	0	0	0	112.7
233	K	61	Low	88	Confident	127 Å²	127	57.4 Å²	57.4	55%	0.552	31%	0.306	S	S	*	.	S	Bend	trans	-102.9	104.6	179.8	-67.6	-177.4	176.4	-179	0	110.2	T231 K236 N415	T231-K233 VanDerWaalsContact C-N 3.32Å; T231-K233 HydrophobicContact CG2-CB 4.36Å; T231-K233 WeakPolarHBondContact CG2-O 3.35Å; K233-K236 WeakPolarHBondContact O-CE 3.27Å; K233-N415 VanDerWaalsContact NZ-CG 3.3Å; K233-N415 PolarHBondContact NZ-ND2 3.04Å; K233-N415 PolarHBondContact NZ-OD1 3.45Å
234	G	64.1	Low	88.1	Confident	50 Å²	50	56.3 Å²	56.3	52%	0.515	30%	0.302	S	S	.	.	S	Bend	trans	82.1	140.1	-173.7	0	0	0	0	0	111.5	K236	G234-K236 PolarHBondContact O-N 2.95Å
235	Q	80.4	Confident	88.2	Confident	142 Å²	142	54.1 Å²	54.1	66%	0.664	29%	0.291	S	S	*	.	S	Bend	trans	-73.6	71.7	177.8	-65.9	-179.7	-8.5	0	0	109.9	Y223 I229	Y223-Q235 WeakPolarHBondContact CE1-O 3.44Å; Y223-Q235 PolarHBondContact OH-O 2.86Å; I229-Q235 HydrophobicContact CD1-CB 3.97Å; I229-Q235 HydrophobicContact CD1-CG 4.42Å
236	K	87	Confident	88.3	Confident	38 Å²	38	53.4 Å²	53.4	17%	0.165	29%	0.286	C	S	.	.			trans	-138.4	153.5	-173.7	63.5	-179.2	177.9	168.3	0	113.4	I229 N230 T231 K233 G234 E238 I349 V350 T351	I229-K236 WeakPolarHBondContact CG2-O 3.42Å; N230-K236 PolarHBondContact N-O 2.95Å; T231-K236 HydrophobicContact CG2-CG 4.42Å; T231-K236 PolarHBondContact N-O 2.75Å; T231-K236 PolarHBondContact OG1-O 3.32Å; K233-K236 WeakPolarHBondContact O-CE 3.27Å; G234-K236 PolarHBondContact O-N 2.95Å; K236-E238 HydrophobicContact CD-CG 4.06Å; K236-E238 VanDerWaalsContact CD-OE1 3.3Å; K236-E238 WeakPolarHBondContact CD-OE1 3.42Å; K236-E238 WeakPolarHBondContact CE-OE1 3.16Å; K236-E238 HydrophobicContact CG-CG 4.2Å; K236-E238 IonicContact NZ-OE1 2.71Å; K236-E238 PolarHBondContact NZ-OE1 3.41Å; K236-E238 IonicContact NZ-OE2 3.71Å; K236-I349 HydrophobicContact CD-CG2 4.44Å; K236-V350 CarbonylContact C-O 3.29Å; K236-V350 VanDerWaalsContact CA-O 3.27Å; K236-V350 WeakPolarHBondContact CA-O 3.33Å; K236-T351 HydrophobicContact CB-CG2 4.26Å
237	C	92.8	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.8	171.1	-177.3	0	0	0	0	108.9	F228 N230 F239 V298 I349 V350	F228-C237 PolarHBondContact O-SG 3.41Å; F228-C237 VanDerWaalsContact O-SG 3.35Å; N230-C237 VanDerWaalsContact OD1-CA 3.3Å; N230-C237 WeakPolarHBondContact OD1-CA 3.34Å; C237-F239 VanDerWaalsContact SG-CE2 3.56Å; C237-F239 VanDerWaalsContact SG-CZ 3.51Å; C237-V298 HydrophobicContact CB-CG2 4.37Å; C237-I349 CarbonylContact O-C 3.5Å; C237-I349 WeakPolarHBondContact O-CA 3.49Å; C237-V350 HydrophobicContact CB-CB 4.25Å; C237-V350 PolarHBondContact N-O 3.22Å; C237-V350 PolarHBondContact O-N 3.27Å
238	E	93	Very high	88.4	Confident	62 Å²	62	44 Å²	44	29%	0.29	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.9	-178.3	-61.6	-171.3	147.5	0	0	111	N230 K236 V348 I349	N230-E238 PolarHBondContact ND2-O 3.11Å; N230-E238 PolarHBondContact OD1-N 2.67Å; K236-E238 HydrophobicContact CD-CG 4.06Å; K236-E238 VanDerWaalsContact CD-OE1 3.3Å; K236-E238 WeakPolarHBondContact CD-OE1 3.42Å; K236-E238 WeakPolarHBondContact CE-OE1 3.16Å; K236-E238 HydrophobicContact CG-CG 4.2Å; K236-E238 IonicContact NZ-OE1 2.71Å; K236-E238 PolarHBondContact NZ-OE1 3.41Å; K236-E238 IonicContact NZ-OE2 3.71Å; E238-V348 CarbonylContact C-O 3.49Å; E238-V348 WeakPolarHBondContact CA-O 3.39Å; E238-I349 HydrophobicContact CG-CG1 4.3Å; E238-I349 HydrophobicContact CG-CG2 4.35Å
239	F	94.4	Very high	88.3	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.2	176.7	-68.1	-42.3	0	0	0	111.5	N230 C237 A242 P270 V272 Q296 V298 E347 V348	N230-F239 WeakPolarHBondContact ND2-CE1 3.14Å; C237-F239 VanDerWaalsContact SG-CE2 3.56Å; C237-F239 VanDerWaalsContact SG-CZ 3.51Å; F239-A242 HydrophobicContact CB-CB 4.09Å; F239-P270 HydrophobicContact CB-CB 3.7Å; F239-P270 HydrophobicContact CB-CG 3.92Å; F239-P270 HydrophobicContact CD1-CB 3.58Å; F239-P270 HydrophobicContact CD1-CG 3.83Å; F239-P270 HydrophobicContact CD2-CB 3.73Å; F239-P270 HydrophobicContact CE1-CB 4.08Å; F239-P270 HydrophobicContact CE2-CB 4.2Å; F239-P270 HydrophobicContact CG-CB 3.4Å; F239-P270 VanDerWaalsContact CG-CB 3.4Å; F239-P270 HydrophobicContact CG-CG 3.94Å; F239-P270 HydrophobicContact CZ-CB 4.37Å; F239-V272 HydrophobicContact CD2-CG2 4.16Å; F239-Q296 HydrophobicContact CE1-CB 3.84Å; F239-Q296 HydrophobicContact CE1-CG 4.3Å; F239-Q296 HydrophobicContact CZ-CB 4.19Å; F239-V298 HydrophobicContact CD2-CG1 4.09Å; F239-V298 HydrophobicContact CE2-CB 3.89Å; F239-V298 HydrophobicContact CE2-CG1 3.68Å; F239-E347 CarbonylContact O-C 3.5Å; F239-E347 VanDerWaalsContact O-CA 3.3Å; F239-E347 WeakPolarHBondContact O-CA 3.29Å; F239-E347 WeakPolarHBondContact O-CG 3.43Å; F239-V348 PolarHBondContact N-O 3.03Å; F239-V348 PolarHBondContact O-N 3.45Å
240	Q	92.7	Very high	88.3	Confident	145 Å²	145	52.9 Å²	52.9	68%	0.678	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.4	171.1	-65.3	-170.4	-10.1	0	0	109.8	A242 G346	Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.24Å; Q240-G346 WeakPolarHBondContact CA-O 3.48Å
241	D	93.5	Very high	88.5	Confident	81 Å²	81	50.3 Å²	50.3	43%	0.433	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.8	50.9	179.3	-76.2	-52.2	0	0	0	113.6	V345 G346 K361	D241-V345 CarbonylContact C-O 3.56Å; D241-V345 WeakPolarHBondContact CA-O 3.42Å; D241-G346 PolarHBondContact N-O 3.06Å; D241-K361 IonicContact OD1-NZ 3.39Å
242	A	95.8	Very high	89	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	154	-174.1	0	0	0	0	0	113.3	F239 Q240 P270 V272 V345 V348	F239-A242 HydrophobicContact CB-CB 4.09Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.24Å; A242-P270 WeakPolarHBondContact CA-O 3.26Å; A242-P270 HydrophobicContact CB-CB 4.01Å; A242-V272 HydrophobicContact CB-CG2 4.14Å; A242-V345 HydrophobicContact CB-CG2 3.94Å; A242-V345 PolarHBondContact N-O 3.08Å; A242-V345 WeakPolarHBondContact O-CG2 3.36Å; A242-V345 PolarHBondContact O-N 2.89Å; A242-V348 HydrophobicContact CB-CG2 4.35Å
243	Y	97.1	Very high	90.1	Very high	13 Å²	13	49 Å²	49	5%	0.051	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	146	163.4	-71.6	-33.5	0	0	0	111.1	A264 H267 K269 P270 V272 F342 G343 K344	Y243-A264 HydrophobicContact CD2-CB 4.41Å; Y243-H267 HydrophobicContact CE2-CB 4.14Å; Y243-K269 HydrophobicContact CD1-CD 4.26Å; Y243-K269 HydrophobicContact CD2-CB 4.13Å; Y243-K269 HydrophobicContact CD2-CD 4.26Å; Y243-K269 HydrophobicContact CE1-CD 3.76Å; Y243-K269 HydrophobicContact CE2-CB 4.21Å; Y243-K269 HydrophobicContact CE2-CD 3.8Å; Y243-K269 HydrophobicContact CG-CD 4.48Å; Y243-P270 PolarHBondContact N-O 3.45Å; Y243-V272 PolarHBondContact O-N 2.95Å; Y243-F342 HydrophobicContact CD1-CB 3.96Å; Y243-F342 HydrophobicContact CD1-CG 4.49Å; Y243-F342 HydrophobicContact CD2-CD2 4.46Å; Y243-F342 HydrophobicContact CD2-CG 4.39Å; Y243-F342 HydrophobicContact CG-CB 4.02Å; Y243-F342 HydrophobicContact CG-CD1 4.38Å; Y243-F342 HydrophobicContact CG-CG 4.09Å; Y243-G343 CarbonylContact C-O 3.58Å; Y243-G343 WeakPolarHBondContact CA-O 3.16Å; Y243-K344 HydrophobicContact CD1-CG 3.94Å; Y243-K344 HydrophobicContact CE1-CD 4.34Å; Y243-K344 HydrophobicContact CE1-CG 3.93Å
244	V	96.7	Very high	91.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117	177.9	-169.7	0	0	0	0	108.7	I246 V272 I274 G343 V345	V244-I246 HydrophobicContact CG1-CD1 4.29Å; V244-I246 HydrophobicContact CG1-CG1 3.84Å; V244-V272 CarbonylContact C-O 3.14Å; V244-V272 WeakPolarHBondContact CA-O 3.33Å; V244-V272 HydrophobicContact CG2-CB 4.47Å; V244-I274 HydrophobicContact CG1-CD1 3.77Å; V244-I274 HydrophobicContact CG1-CG1 4.27Å; V244-G343 PolarHBondContact N-O 3.44Å; V244-G343 PolarHBondContact O-N 3.44Å; V244-V345 HydrophobicContact CG2-CB 4.35Å; V244-V345 HydrophobicContact CG2-CG1 3.8Å; V244-V345 HydrophobicContact CG2-CG2 3.57Å
245	L	96.3	Very high	92.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.9	170.4	173.9	61.6	0	0	0	108.7	A260 L271 V272 I273 I274 F325 V334 I337 F342	L245-A260 HydrophobicContact CD2-CB 4.08Å; L245-L271 HydrophobicContact CB-CD1 4.17Å; L245-V272 PolarHBondContact N-O 3.45Å; L245-I273 HydrophobicContact CB-CG1 4.47Å; L245-I273 HydrophobicContact CD2-CG1 4.33Å; L245-I273 HydrophobicContact CD2-CG2 4.23Å; L245-I274 PolarHBondContact O-N 2.92Å; L245-F325 HydrophobicContact CD1-CD2 3.61Å; L245-F325 HydrophobicContact CD1-CE2 3.63Å; L245-V334 HydrophobicContact CD1-CG1 4.27Å; L245-V334 HydrophobicContact CD2-CG1 4.01Å; L245-I337 HydrophobicContact CD1-CD1 3.5Å; L245-F342 HydrophobicContact CB-CD1 4.4Å; L245-F342 HydrophobicContact CB-CE1 4.2Å
246	I	95.4	Very high	93	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.7	-177	-54.8	175.8	0	0	0	109.3	V244 I274 L313 M316 A317 V324 F325	V244-I246 HydrophobicContact CG1-CD1 4.29Å; V244-I246 HydrophobicContact CG1-CG1 3.84Å; I246-I274 CarbonylContact C-O 3.55Å; I246-I274 WeakPolarHBondContact CA-O 3.37Å; I246-L313 HydrophobicContact CG2-CB 3.99Å; I246-L313 HydrophobicContact CG2-CD2 3.46Å; I246-L313 VanDerWaalsContact CG2-CD2 3.46Å; I246-L313 HydrophobicContact CG2-CG 4.28Å; I246-M316 HydrophobicContact CD1-CB 4.04Å; I246-A317 HydrophobicContact CD1-CB 3.82Å; I246-V324 HydrophobicContact CG2-CG1 4.29Å; I246-V324 HydrophobicContact CG2-CG2 4.09Å; I246-F325 WeakPolarHBondContact O-CD2 3.49Å; I246-F325 PolarHBondContact O-N 2.8Å
247	S	93.9	Very high	93.2	Very high	2 Å²	2	41 Å²	41	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.3	-179.7	176.4	0	0	0	0	111.1	K249 I274 A275 E276	S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact OG-N 3.35Å; S247-K249 PolarHBondContact OG-O 2.89Å; S247-I274 PolarHBondContact N-O 2.96Å; S247-A275 VanDerWaalsContact O-CA 3.31Å; S247-A275 WeakPolarHBondContact O-CA 3.38Å; S247-E276 PolarHBondContact O-N 2.94Å
248	E	92.7	Very high	93.1	Very high	18 Å²	18	43.4 Å²	43.4	8%	0.084	22%	0.22	C	C	.	.	S	Bend	trans	-70	-28.8	171.3	-171.3	177.7	148.9	0	0	111.7	E276 K310 L313 V324 F325 E327	E248-E276 WeakPolarHBondContact O-CB 2.89Å; E248-K310 HydrophobicContact CG-CG 4.4Å; E248-K310 VanDerWaalsContact OE1-CD 3.23Å; E248-K310 WeakPolarHBondContact OE1-CD 3.47Å; E248-K310 WeakPolarHBondContact OE1-CE 3.25Å; E248-K310 IonicContact OE1-NZ 2.77Å; E248-K310 PolarHBondContact OE1-NZ 3.11Å; E248-L313 HydrophobicContact CB-CD1 4.36Å; E248-L313 HydrophobicContact CG-CD1 4.47Å; E248-V324 HydrophobicContact CB-CG1 4.22Å; E248-F325 PolarHBondContact N-O 3.26Å; E248-E327 WeakPolarHBondContact OE2-CA 3.44Å
249	K	91.9	Very high	93.1	Very high	128 Å²	128	42.1 Å²	42.1	56%	0.557	22%	0.217	S	C	*	.	S	Bend	trans	-96.1	160.1	-176.8	-65	-177.7	-179.2	173.9	0	112.6	S247	S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact OG-N 3.35Å; S247-K249 PolarHBondContact OG-O 2.89Å
250	K	93.2	Very high	93	Very high	108 Å²	108	41.8 Å²	41.8	47%	0.47	22%	0.216	S	C	.	.			trans	-64.2	145.4	169.9	-64.6	-171.2	178.9	-170	0	112.2	E276 D277	K250-E276 HydrophobicContact CD-CG 4.41Å; K250-E276 HydrophobicContact CG-CB 4.07Å; K250-E276 HydrophobicContact CG-CG 3.61Å; K250-D277 WeakPolarHBondContact CA-O 3.43Å; K250-D277 HydrophobicContact CB-CB 4.48Å; K250-D277 HydrophobicContact CD-CB 3.98Å; K250-D277 HydrophobicContact CG-CB 3.82Å
251	I	94	Very high	93	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-115.8	100.4	175.9	-59	178.2	0	0	0	108.5	I257 I273 A275 D277 V278 D279 A282	I251-I257 HydrophobicContact CD1-CG2 4.04Å; I251-I257 HydrophobicContact CG2-CG2 3.42Å; I251-I257 VanDerWaalsContact CG2-CG2 3.42Å; I251-I273 HydrophobicContact CD1-CG2 3.89Å; I251-A275 HydrophobicContact CD1-CB 3.87Å; I251-A275 HydrophobicContact CG1-CB 4.06Å; I251-D277 PolarHBondContact N-O 3.49Å; I251-V278 HydrophobicContact CB-CG2 4.42Å; I251-V278 WeakPolarHBondContact O-CA 3.39Å; I251-D279 PolarHBondContact O-N 3.45Å; I251-D279 VanDerWaalsContact O-N 3.15Å; I251-A282 HydrophobicContact CG2-CB 3.98Å
252	S	93.8	Very high	92.9	Very high	55 Å²	55	38 Å²	38	39%	0.385	20%	0.196	S	C	.	.			trans	-108	-30.3	178.9	-51.7	0	0	0	0	113.1	D279 E281 A282	S252-D279 WeakPolarHBondContact CA-OD1 3.32Å; S252-D279 WeakPolarHBondContact CB-OD1 3.39Å; S252-D279 PolarHBondContact OG-OD1 3.18Å; S252-E281 PolarHBondContact O-N 3.17Å; S252-A282 PolarHBondContact O-N 2.88Å; S252-A282 VanDerWaalsContact O-N 3.13Å
253	S	92.1	Very high	92.7	Very high	46 Å²	46	39.4 Å²	39.4	32%	0.322	20%	0.203	S	C	.	.			trans	-89.6	138	179.8	180	0	0	0	0	110.6	Q255 S256	S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact OG-N 3.2Å; S253-S256 PolarHBondContact O-OG 3.4Å
254	V	89.8	Confident	92.5	Very high	24 Å²	24	39 Å²	39	15%	0.145	20%	0.202	C	C	.	.	S	Bend	trans	-67.4	-32.1	172.4	68.2	0	0	0	0	111.5	S256 I257 V258 E281 T285	V254-S256 PolarHBondContact O-N 3.27Å; V254-I257 HydrophobicContact CG2-CG1 4.43Å; V254-I257 WeakPolarHBondContact O-CG1 3.48Å; V254-I257 PolarHBondContact O-N 3.07Å; V254-V258 HydrophobicContact CG2-CG2 4.17Å; V254-V258 WeakPolarHBondContact O-CG2 3.46Å; V254-V258 PolarHBondContact O-N 3.29Å; V254-V258 VanDerWaalsContact O-N 3.14Å; V254-E281 HydrophobicContact CB-CG 4.35Å; V254-E281 HydrophobicContact CG1-CG 4.3Å; V254-T285 HydrophobicContact CG2-CG2 3.76Å
255	Q	88.9	Confident	92.2	Very high	145 Å²	145	44.1 Å²	44.1	68%	0.678	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.5	-174	-67.1	178.9	-18.4	0	0	112.3	S253 I257 P259	S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact OG-N 3.2Å; Q255-I257 VanDerWaalsContact C-N 3.27Å; Q255-I257 PolarHBondContact O-N 2.67Å; Q255-P259 WeakPolarHBondContact O-CD 3.12Å
256	S	87.6	Confident	91.9	Very high	18 Å²	18	47.9 Å²	47.9	13%	0.126	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.8	-180	59.8	0	0	0	0	113.7	S253 V254 V334	S253-S256 PolarHBondContact O-OG 3.4Å; V254-S256 PolarHBondContact O-N 3.27Å; S256-V334 WeakPolarHBondContact O-CG1 3.49Å
257	I	91.1	Very high	91.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-12.4	-178.9	57.6	170.1	0	0	0	113.9	I251 V254 Q255 A260 L261 A282 L286	I251-I257 HydrophobicContact CD1-CG2 4.04Å; I251-I257 HydrophobicContact CG2-CG2 3.42Å; I251-I257 VanDerWaalsContact CG2-CG2 3.42Å; V254-I257 HydrophobicContact CG2-CG1 4.43Å; V254-I257 WeakPolarHBondContact O-CG1 3.48Å; V254-I257 PolarHBondContact O-N 3.07Å; Q255-I257 VanDerWaalsContact C-N 3.27Å; Q255-I257 PolarHBondContact O-N 2.67Å; I257-A260 PolarHBondContact O-N 3.05Å; I257-A260 VanDerWaalsContact O-N 3.14Å; I257-L261 HydrophobicContact CB-CD1 4.47Å; I257-L261 HydrophobicContact CD1-CD1 4.06Å; I257-L261 HydrophobicContact CG1-CD1 4.13Å; I257-L261 VanDerWaalsContact O-CG 3.3Å; I257-L261 WeakPolarHBondContact O-CG 3.14Å; I257-L261 PolarHBondContact O-N 3.27Å; I257-A282 HydrophobicContact CD1-CB 4.05Å; I257-L286 HydrophobicContact CD1-CD1 4.12Å; I257-L286 HydrophobicContact CD1-CD2 3.96Å; I257-L286 HydrophobicContact CD1-CG 3.96Å
258	V	91.8	Very high	91.5	Very high	52 Å²	52	63.4 Å²	63.4	32%	0.315	32%	0.323	S	S	.	.	H	α-helix	trans	-53	-49.7	178.9	170.2	0	0	0	0	111.6	V254 A260 L261 E262	V254-V258 HydrophobicContact CG2-CG2 4.17Å; V254-V258 WeakPolarHBondContact O-CG2 3.46Å; V254-V258 PolarHBondContact O-N 3.29Å; V254-V258 VanDerWaalsContact O-N 3.14Å; V258-A260 VanDerWaalsContact C-N 3.29Å; V258-A260 PolarHBondContact O-N 3.36Å; V258-L261 PolarHBondContact O-N 3.13Å; V258-L261 VanDerWaalsContact O-N 3.15Å; V258-E262 HydrophobicContact CG1-CG 4.16Å; V258-E262 WeakPolarHBondContact CG1-OE1 3.32Å; V258-E262 WeakPolarHBondContact O-CG 3.48Å; V258-E262 PolarHBondContact O-N 2.95Å
259	P	93.1	Very high	91.5	Very high	35 Å²	35	65.6 Å²	65.6	23%	0.227	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-40.3	179.8	-25.1	36.4	0	0	0	112.5	Q255 L261 E262 I263 E335 I337	Q255-P259 WeakPolarHBondContact O-CD 3.12Å; P259-L261 PolarHBondContact O-N 2.91Å; P259-E262 PolarHBondContact O-N 3.26Å; P259-I263 VanDerWaalsContact O-CG1 3.32Å; P259-I263 WeakPolarHBondContact O-CG1 3.44Å; P259-I263 PolarHBondContact O-N 3.45Å; P259-E335 WeakPolarHBondContact CG-O 3.44Å; P259-I337 HydrophobicContact CB-CG2 3.98Å
260	A	92.6	Very high	91.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-41.3	178.6	0	0	0	0	0	112.5	L245 I257 V258 A264 L271 I337 F342	L245-A260 HydrophobicContact CD2-CB 4.08Å; I257-A260 PolarHBondContact O-N 3.05Å; I257-A260 VanDerWaalsContact O-N 3.14Å; V258-A260 VanDerWaalsContact C-N 3.29Å; V258-A260 PolarHBondContact O-N 3.36Å; A260-A264 WeakPolarHBondContact O-CB 3.32Å; A260-A264 PolarHBondContact O-N 3.02Å; A260-A264 VanDerWaalsContact O-N 3.08Å; A260-L271 HydrophobicContact CB-CD2 4.37Å; A260-I337 HydrophobicContact CB-CD1 4.32Å; A260-I337 HydrophobicContact CB-CG2 4.08Å; A260-F342 HydrophobicContact CB-CE1 4.16Å; A260-F342 HydrophobicContact CB-CZ 3.88Å
261	L	91.6	Very high	91.9	Very high	22 Å²	22	54.9 Å²	54.9	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-39.5	178.1	-64.6	168.8	0	0	0	111.7	I257 V258 P259 A264 N265 L271 L286 L295 V297	I257-L261 HydrophobicContact CB-CD1 4.47Å; I257-L261 HydrophobicContact CD1-CD1 4.06Å; I257-L261 HydrophobicContact CG1-CD1 4.13Å; I257-L261 VanDerWaalsContact O-CG 3.3Å; I257-L261 WeakPolarHBondContact O-CG 3.14Å; I257-L261 PolarHBondContact O-N 3.27Å; V258-L261 PolarHBondContact O-N 3.13Å; V258-L261 VanDerWaalsContact O-N 3.15Å; P259-L261 PolarHBondContact O-N 2.91Å; L261-A264 PolarHBondContact O-N 3.31Å; L261-N265 WeakPolarHBondContact O-CB 3.43Å; L261-N265 PolarHBondContact O-N 2.97Å; L261-L271 HydrophobicContact CD2-CD2 3.71Å; L261-L271 HydrophobicContact CG-CD2 4.45Å; L261-L286 HydrophobicContact CD1-CD2 4.02Å; L261-L286 HydrophobicContact CD2-CD2 3.82Å; L261-L295 HydrophobicContact CD2-CD2 4.09Å; L261-V297 HydrophobicContact CD2-CG2 4.26Å
262	E	91.1	Very high	92	Very high	124 Å²	124	54.7 Å²	54.7	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-62.7	-45.6	177.1	-74.6	179.3	171.1	0	0	111.5	V258 P259 N265 A266	V258-E262 HydrophobicContact CG1-CG 4.16Å; V258-E262 WeakPolarHBondContact CG1-OE1 3.32Å; V258-E262 WeakPolarHBondContact O-CG 3.48Å; V258-E262 PolarHBondContact O-N 2.95Å; P259-E262 PolarHBondContact O-N 3.26Å; E262-N265 PolarHBondContact O-N 2.83Å; E262-A266 WeakPolarHBondContact O-CB 2.94Å; E262-A266 PolarHBondContact O-N 3.23Å
263	I	93	Very high	92.2	Very high	31 Å²	31	52.1 Å²	52.1	16%	0.159	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-47.6	176.8	-65.9	167.5	0	0	0	110.7	P259 N265 A266 H267 I337 P339 F342	P259-I263 VanDerWaalsContact O-CG1 3.32Å; P259-I263 WeakPolarHBondContact O-CG1 3.44Å; P259-I263 PolarHBondContact O-N 3.45Å; I263-N265 VanDerWaalsContact C-N 3.34Å; I263-N265 PolarHBondContact O-N 2.83Å; I263-A266 PolarHBondContact O-N 2.91Å; I263-H267 PolarHBondContact O-CD2 2.74Å; I263-H267 VanDerWaalsContact O-CD2 3.3Å; I263-H267 PolarHBondContact O-N 2.84Å; I263-I337 HydrophobicContact CD1-CG2 4.16Å; I263-I337 VanDerWaalsContact CD1-O 3.31Å; I263-I337 WeakPolarHBondContact CD1-O 3.46Å; I263-P339 HydrophobicContact CG2-CB 4.38Å; I263-P339 HydrophobicContact CG2-CG 4.02Å; I263-F342 HydrophobicContact CB-CE2 4.15Å; I263-F342 HydrophobicContact CD1-CE2 4.21Å; I263-F342 HydrophobicContact CG2-CD2 4.49Å; I263-F342 HydrophobicContact CG2-CE2 3.77Å
264	A	92	Very high	92.4	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-44	179.5	0	0	0	0	0	111.7	Y243 A260 L261 H267 R268 K269 L271	Y243-A264 HydrophobicContact CD2-CB 4.41Å; A260-A264 WeakPolarHBondContact O-CB 3.32Å; A260-A264 PolarHBondContact O-N 3.02Å; A260-A264 VanDerWaalsContact O-N 3.08Å; L261-A264 PolarHBondContact O-N 3.31Å; A264-H267 CarbonylContact O-C 3.59Å; A264-H267 PolarHBondContact O-N 3.34Å; A264-R268 PolarHBondContact O-N 3.49Å; A264-K269 PolarHBondContact O-N 3.26Å; A264-L271 HydrophobicContact CB-CB 3.96Å; A264-L271 HydrophobicContact CB-CD2 4.39Å
265	N	90.3	Very high	92.7	Very high	108 Å²	108	48.8 Å²	48.8	58%	0.578	25%	0.245	S	C	*	.	H	α-helix	trans	-68.5	-40	178.5	-171.7	51.8	0	0	0	112.3	L261 E262 I263 H267 R268	L261-N265 WeakPolarHBondContact O-CB 3.43Å; L261-N265 PolarHBondContact O-N 2.97Å; E262-N265 PolarHBondContact O-N 2.83Å; I263-N265 VanDerWaalsContact C-N 3.34Å; I263-N265 PolarHBondContact O-N 2.83Å; N265-H267 VanDerWaalsContact C-N 3.28Å; N265-H267 PolarHBondContact O-N 2.91Å; N265-R268 PolarHBondContact O-N 3.12Å
266	A	90.9	Very high	92.9	Very high	80 Å²	80	44.8 Å²	44.8	66%	0.661	23%	0.227	S	C	*	.	H	α-helix	trans	-60.7	-39	176.2	0	0	0	0	0	111.9	E262 I263 R268	E262-A266 WeakPolarHBondContact O-CB 2.94Å; E262-A266 PolarHBondContact O-N 3.23Å; I263-A266 PolarHBondContact O-N 2.91Å; A266-R268 VanDerWaalsContact C-N 3.3Å
267	H	90.1	Very high	93.2	Very high	102 Å²	102	45.1 Å²	45.1	47%	0.472	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.2	174.7	-75.6	-74.5	0	0	0	114.2	Y243 I263 A264 N265 K269	Y243-H267 HydrophobicContact CE2-CB 4.14Å; I263-H267 PolarHBondContact O-CD2 2.74Å; I263-H267 VanDerWaalsContact O-CD2 3.3Å; I263-H267 PolarHBondContact O-N 2.84Å; A264-H267 CarbonylContact O-C 3.59Å; A264-H267 PolarHBondContact O-N 3.34Å; N265-H267 VanDerWaalsContact C-N 3.28Å; N265-H267 PolarHBondContact O-N 2.91Å; H267-K269 VanDerWaalsContact C-N 3.25Å; H267-K269 HydrophobicContact CB-CG 4.44Å; H267-K269 PolarHBondContact O-N 2.72Å
268	R	89.9	Confident	93.3	Very high	226 Å²	226	45.1 Å²	45.1	85%	0.853	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	42	-175.6	-58.1	-176.3	178.9	-173.9	-0.5	113.1	A264 N265 A266	A264-R268 PolarHBondContact O-N 3.49Å; N265-R268 PolarHBondContact O-N 3.12Å; A266-R268 VanDerWaalsContact C-N 3.3Å
269	K	93.3	Very high	93.4	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	23%	0.225	S	C	.	.			trans	-113.2	143.2	178.4	-73.7	-174.4	173	-170.3	0	111.4	Y243 A264 H267	Y243-K269 HydrophobicContact CD1-CD 4.26Å; Y243-K269 HydrophobicContact CD2-CB 4.13Å; Y243-K269 HydrophobicContact CD2-CD 4.26Å; Y243-K269 HydrophobicContact CE1-CD 3.76Å; Y243-K269 HydrophobicContact CE2-CB 4.21Å; Y243-K269 HydrophobicContact CE2-CD 3.8Å; Y243-K269 HydrophobicContact CG-CD 4.48Å; A264-K269 PolarHBondContact O-N 3.26Å; H267-K269 VanDerWaalsContact C-N 3.25Å; H267-K269 HydrophobicContact CB-CG 4.44Å; H267-K269 PolarHBondContact O-N 2.72Å
270	P	96	Very high	93.4	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.052	24%	0.238	C	C	.	.			trans	-61.3	148.7	169.7	-20.2	31.5	0	0	0	111.8	F239 A242 Y243 Q296	F239-P270 HydrophobicContact CB-CB 3.7Å; F239-P270 HydrophobicContact CB-CG 3.92Å; F239-P270 HydrophobicContact CD1-CB 3.58Å; F239-P270 HydrophobicContact CD1-CG 3.83Å; F239-P270 HydrophobicContact CD2-CB 3.73Å; F239-P270 HydrophobicContact CE1-CB 4.08Å; F239-P270 HydrophobicContact CE2-CB 4.2Å; F239-P270 HydrophobicContact CG-CB 3.4Å; F239-P270 VanDerWaalsContact CG-CB 3.4Å; F239-P270 HydrophobicContact CG-CG 3.94Å; F239-P270 HydrophobicContact CZ-CB 4.37Å; A242-P270 WeakPolarHBondContact CA-O 3.26Å; A242-P270 HydrophobicContact CB-CB 4.01Å; Y243-P270 PolarHBondContact N-O 3.45Å; P270-Q296 CarbonylContact C-O 3.58Å; P270-Q296 VanDerWaalsContact CA-O 3.29Å; P270-Q296 WeakPolarHBondContact CA-O 3.27Å; P270-Q296 HydrophobicContact CB-CB 3.95Å; P270-Q296 HydrophobicContact CG-CB 4.2Å
271	L	96.2	Very high	93.4	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.3	177.3	-178.2	63.5	0	0	0	111.4	L245 A260 L261 A264 I273 Q296 V297 V298 F342	L245-L271 HydrophobicContact CB-CD1 4.17Å; A260-L271 HydrophobicContact CB-CD2 4.37Å; L261-L271 HydrophobicContact CD2-CD2 3.71Å; L261-L271 HydrophobicContact CG-CD2 4.45Å; A264-L271 HydrophobicContact CB-CB 3.96Å; A264-L271 HydrophobicContact CB-CD2 4.39Å; L271-I273 HydrophobicContact CD2-CD1 4.13Å; L271-I273 HydrophobicContact CD2-CG1 4.03Å; L271-I273 HydrophobicContact CG-CG1 4Å; L271-Q296 PolarHBondContact N-O 3.33Å; L271-V297 HydrophobicContact CB-CG2 4.27Å; L271-V297 CarbonylContact O-C 3.58Å; L271-V297 VanDerWaalsContact O-CA 3.26Å; L271-V297 WeakPolarHBondContact O-CA 3.48Å; L271-V297 WeakPolarHBondContact O-CG2 3.11Å; L271-V298 PolarHBondContact O-N 2.85Å; L271-F342 HydrophobicContact CD1-CD1 4.03Å; L271-F342 HydrophobicContact CD1-CE1 3.61Å
272	V	97	Very high	93.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121	173	-177.5	0	0	0	0	107.7	F239 A242 Y243 V244 L245 I274 V298 V348	F239-V272 HydrophobicContact CD2-CG2 4.16Å; A242-V272 HydrophobicContact CB-CG2 4.14Å; Y243-V272 PolarHBondContact O-N 2.95Å; V244-V272 CarbonylContact C-O 3.14Å; V244-V272 WeakPolarHBondContact CA-O 3.33Å; V244-V272 HydrophobicContact CG2-CB 4.47Å; L245-V272 PolarHBondContact N-O 3.45Å; V272-I274 HydrophobicContact CG1-CG1 4.22Å; V272-V298 HydrophobicContact CB-CG1 4.2Å; V272-V298 HydrophobicContact CG1-CG1 4Å; V272-V298 HydrophobicContact CG2-CG1 3.87Å; V272-V348 HydrophobicContact CG1-CG1 4.5Å; V272-V348 HydrophobicContact CG2-CB 4.2Å; V272-V348 HydrophobicContact CG2-CG1 4Å; V272-V348 HydrophobicContact CG2-CG2 4.03Å
273	I	96.9	Very high	93.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.3	180	-55.8	176.6	0	0	0	108.4	L245 I251 L271 V278 L286 V297 V298 A299 V300	L245-I273 HydrophobicContact CB-CG1 4.47Å; L245-I273 HydrophobicContact CD2-CG1 4.33Å; L245-I273 HydrophobicContact CD2-CG2 4.23Å; I251-I273 HydrophobicContact CD1-CG2 3.89Å; L271-I273 HydrophobicContact CD2-CD1 4.13Å; L271-I273 HydrophobicContact CD2-CG1 4.03Å; L271-I273 HydrophobicContact CG-CG1 4Å; I273-V278 HydrophobicContact CG2-CG2 4.11Å; I273-L286 HydrophobicContact CD1-CD1 4.01Å; I273-L286 HydrophobicContact CD1-CD2 4.3Å; I273-V297 HydrophobicContact CD1-CG2 4.05Å; I273-V297 HydrophobicContact CG1-CG2 4.39Å; I273-V298 PolarHBondContact N-O 3.5Å; I273-A299 HydrophobicContact CB-CB 4.47Å; I273-A299 WeakPolarHBondContact O-CA 3.47Å; I273-V300 PolarHBondContact O-N 3.5Å
274	I	96.9	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111	174.7	-55.1	176.2	0	0	0	107.3	F219 V244 L245 I246 S247 V272 V300 A302 L313 M316 L357	F219-I274 HydrophobicContact CE1-CD1 4.2Å; F219-I274 HydrophobicContact CZ-CD1 3.87Å; F219-I274 HydrophobicContact CZ-CG1 4.42Å; V244-I274 HydrophobicContact CG1-CD1 3.77Å; V244-I274 HydrophobicContact CG1-CG1 4.27Å; L245-I274 PolarHBondContact O-N 2.92Å; I246-I274 CarbonylContact C-O 3.55Å; I246-I274 WeakPolarHBondContact CA-O 3.37Å; S247-I274 PolarHBondContact N-O 2.96Å; V272-I274 HydrophobicContact CG1-CG1 4.22Å; I274-V300 WeakPolarHBondContact CA-O 3.48Å; I274-A302 HydrophobicContact CG2-CB 4.38Å; I274-L313 HydrophobicContact CG2-CD2 3.93Å; I274-M316 HydrophobicContact CD1-SD 3.93Å; I274-M316 HydrophobicContact CG2-CE 4.04Å; I274-M316 HydrophobicContact CG2-SD 4.49Å; I274-L357 HydrophobicContact CD1-CD1 4.12Å
275	A	95.4	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.6	-178.4	0	0	0	0	0	111.3	S247 I251 D277 V278 V300 K301 A302	S247-A275 VanDerWaalsContact O-CA 3.31Å; S247-A275 WeakPolarHBondContact O-CA 3.38Å; I251-A275 HydrophobicContact CD1-CB 3.87Å; I251-A275 HydrophobicContact CG1-CB 4.06Å; A275-D277 PolarHBondContact O-N 2.98Å; A275-V278 HydrophobicContact CB-CG2 3.91Å; A275-V300 PolarHBondContact N-O 3.35Å; A275-K301 CarbonylContact O-C 3.52Å; A275-K301 WeakPolarHBondContact O-CA 3.18Å; A275-A302 WeakPolarHBondContact O-CB 3.48Å; A275-A302 PolarHBondContact O-N 3Å
276	E	93.7	Very high	93.8	Very high	61 Å²	61	44.3 Å²	44.3	29%	0.285	24%	0.237	S	C	.	.	S	Bend	trans	-48.7	-46.3	170.4	163	169.1	-142.7	0	0	111.5	S247 E248 K250 R309	S247-E276 PolarHBondContact O-N 2.94Å; E248-E276 WeakPolarHBondContact O-CB 2.89Å; K250-E276 HydrophobicContact CD-CG 4.41Å; K250-E276 HydrophobicContact CG-CB 4.07Å; K250-E276 HydrophobicContact CG-CG 3.61Å; E276-R309 VanDerWaalsContact CD-CZ 3.5Å; E276-R309 IonicContact OE1-CZ 2.85Å; E276-R309 IonicContact OE1-NH1 3.88Å; E276-R309 PolarHBondContact OE1-NH1 2.77Å; E276-R309 IonicContact OE1-NH2 3.3Å; E276-R309 PolarHBondContact OE1-NH2 3.45Å; E276-R309 IonicContact OE2-NH2 2.73Å; E276-R309 PolarHBondContact OE2-NH2 2.87Å
277	D	93.8	Very high	93.9	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	21%	0.211	C	C	.	.			trans	-156.1	153.9	169.6	-146.3	-19.3	0	0	0	110.1	K250 I251 A275 K301	K250-D277 WeakPolarHBondContact CA-O 3.43Å; K250-D277 HydrophobicContact CB-CB 4.48Å; K250-D277 HydrophobicContact CD-CB 3.98Å; K250-D277 HydrophobicContact CG-CB 3.82Å; I251-D277 PolarHBondContact N-O 3.49Å; A275-D277 PolarHBondContact O-N 2.98Å; D277-K301 WeakPolarHBondContact OD1-CE 3.38Å; D277-K301 IonicContact OD1-NZ 2.97Å; D277-K301 PolarHBondContact OD1-NZ 2.97Å; D277-K301 IonicContact OD2-NZ 2.76Å; D277-K301 PolarHBondContact OD2-NZ 3.38Å
278	V	94.7	Very high	93.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-125.8	109	169.4	-174.1	0	0	0	0	107.5	I224 I251 I273 A275 A282 L283 L286 A299	I224-V278 HydrophobicContact CD1-CB 3.73Å; I224-V278 HydrophobicContact CD1-CG2 4.09Å; I251-V278 HydrophobicContact CB-CG2 4.42Å; I251-V278 WeakPolarHBondContact O-CA 3.39Å; I273-V278 HydrophobicContact CG2-CG2 4.11Å; A275-V278 HydrophobicContact CB-CG2 3.91Å; V278-A282 HydrophobicContact CG1-CB 4.32Å; V278-L283 HydrophobicContact CG1-CB 4.38Å; V278-L286 HydrophobicContact CG1-CD1 4.03Å; V278-A299 HydrophobicContact CB-CB 4.17Å; V278-A299 HydrophobicContact CG1-CB 4.28Å; V278-A299 HydrophobicContact CG2-CB 4.08Å
279	D	93.6	Very high	93.9	Very high	52 Å²	52	33 Å²	33	28%	0.278	19%	0.186	S	C	.	.			trans	-137.1	-175.5	-171.6	66.1	12.6	0	0	0	112.6	I251 S252 E281 A282 L283	I251-D279 PolarHBondContact O-N 3.45Å; I251-D279 VanDerWaalsContact O-N 3.15Å; S252-D279 WeakPolarHBondContact CA-OD1 3.32Å; S252-D279 WeakPolarHBondContact CB-OD1 3.39Å; S252-D279 PolarHBondContact OG-OD1 3.18Å; D279-E281 PolarHBondContact O-N 2.82Å; D279-A282 PolarHBondContact O-N 3.44Å; D279-L283 PolarHBondContact O-N 2.94Å
280	G	92.2	Very high	93.7	Very high	48 Å²	48	32.3 Å²	32.3	50%	0.495	18%	0.181	S	C	.	.	H	α-helix	trans	58.8	-131.3	172.6	0	0	0	0	0	115.1	S284	G280-S284 PolarHBondContact O-N 3.43Å; G280-S284 PolarHBondContact O-OG 3.24Å
281	E	93.3	Very high	93.4	Very high	120 Å²	120	36.7 Å²	36.7	56%	0.561	20%	0.204	S	C	*	.	H	α-helix	trans	-69.1	-37.4	-176.9	-173.5	-179.2	177.9	0	0	111.7	S252 V254 D279 S284 T285	S252-E281 PolarHBondContact O-N 3.17Å; V254-E281 HydrophobicContact CB-CG 4.35Å; V254-E281 HydrophobicContact CG1-CG 4.3Å; D279-E281 PolarHBondContact O-N 2.82Å; E281-S284 PolarHBondContact O-N 3.05Å; E281-T285 WeakPolarHBondContact O-CB 3.21Å; E281-T285 PolarHBondContact O-N 3.12Å; E281-T285 PolarHBondContact O-OG1 3.48Å
282	A	93.4	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-53.2	178.2	0	0	0	0	0	111.4	I251 S252 I257 V278 D279 S284 T285 L286	I251-A282 HydrophobicContact CG2-CB 3.98Å; S252-A282 PolarHBondContact O-N 2.88Å; S252-A282 VanDerWaalsContact O-N 3.13Å; I257-A282 HydrophobicContact CD1-CB 4.05Å; V278-A282 HydrophobicContact CG1-CB 4.32Å; D279-A282 PolarHBondContact O-N 3.44Å; A282-S284 PolarHBondContact O-N 3.42Å; A282-T285 PolarHBondContact O-N 2.98Å; A282-L286 VanDerWaalsContact O-CG 3.31Å; A282-L286 WeakPolarHBondContact O-CG 3.47Å; A282-L286 PolarHBondContact O-N 3.1Å
283	L	93.9	Very high	92.5	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.199	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-45.1	179.9	-179.2	64	0	0	0	111.9	I224 F228 V278 D279 T285 L286 V287	I224-L283 HydrophobicContact CB-CD1 4.39Å; I224-L283 HydrophobicContact CG2-CD1 3.95Å; I224-L283 HydrophobicContact CG2-CD2 3.75Å; F228-L283 HydrophobicContact CE2-CD1 4.1Å; F228-L283 HydrophobicContact CZ-CD1 4.12Å; V278-L283 HydrophobicContact CG1-CB 4.38Å; D279-L283 PolarHBondContact O-N 2.94Å; L283-T285 VanDerWaalsContact C-N 3.27Å; L283-T285 PolarHBondContact O-N 3.04Å; L283-L286 PolarHBondContact O-N 3.03Å; L283-V287 HydrophobicContact CD1-CG2 4.28Å; L283-V287 WeakPolarHBondContact O-CG2 3.15Å; L283-V287 PolarHBondContact O-N 3.2Å
284	S	93.2	Very high	91.8	Very high	68 Å²	68	51.6 Å²	51.6	48%	0.476	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-41.6	179.9	-59.3	0	0	0	0	111.4	G280 E281 A282 L288	G280-S284 PolarHBondContact O-N 3.43Å; G280-S284 PolarHBondContact O-OG 3.24Å; E281-S284 PolarHBondContact O-N 3.05Å; A282-S284 PolarHBondContact O-N 3.42Å; S284-L288 WeakPolarHBondContact O-CB 3.34Å; S284-L288 VanDerWaalsContact O-CG 3.26Å; S284-L288 WeakPolarHBondContact O-CG 3.17Å; S284-L288 PolarHBondContact O-N 3.46Å
285	T	91.7	Very high	91.3	Very high	34 Å²	34	53.2 Å²	53.2	21%	0.209	30%	0.297	C	S	.	.	H	α-helix	trans	-69.8	-42.1	179.4	-57.1	0	0	0	0	112.2	V254 E281 A282 L283 V287 L288 N289	V254-T285 HydrophobicContact CG2-CG2 3.76Å; E281-T285 WeakPolarHBondContact O-CB 3.21Å; E281-T285 PolarHBondContact O-N 3.12Å; E281-T285 PolarHBondContact O-OG1 3.48Å; A282-T285 PolarHBondContact O-N 2.98Å; L283-T285 VanDerWaalsContact C-N 3.27Å; L283-T285 PolarHBondContact O-N 3.04Å; T285-V287 PolarHBondContact O-N 3.36Å; T285-L288 PolarHBondContact O-N 3.42Å; T285-N289 VanDerWaalsContact CG2-ND2 3.32Å; T285-N289 WeakPolarHBondContact CG2-ND2 3.48Å; T285-N289 WeakPolarHBondContact O-CB 3.26Å; T285-N289 PolarHBondContact O-N 3.42Å; T285-N289 PolarHBondContact O-ND2 2.95Å; T285-N289 VanDerWaalsContact O-ND2 3.16Å
286	L	93.3	Very high	91.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-47	175.7	-71.1	173.7	0	0	0	111.4	F228 I257 L261 I273 V278 A282 L283 N289 R290 V297 A299	F228-L286 HydrophobicContact CE1-CB 4.15Å; F228-L286 HydrophobicContact CZ-CB 4.06Å; I257-L286 HydrophobicContact CD1-CD1 4.12Å; I257-L286 HydrophobicContact CD1-CD2 3.96Å; I257-L286 HydrophobicContact CD1-CG 3.96Å; L261-L286 HydrophobicContact CD1-CD2 4.02Å; L261-L286 HydrophobicContact CD2-CD2 3.82Å; I273-L286 HydrophobicContact CD1-CD1 4.01Å; I273-L286 HydrophobicContact CD1-CD2 4.3Å; V278-L286 HydrophobicContact CG1-CD1 4.03Å; A282-L286 VanDerWaalsContact O-CG 3.31Å; A282-L286 WeakPolarHBondContact O-CG 3.47Å; A282-L286 PolarHBondContact O-N 3.1Å; L283-L286 PolarHBondContact O-N 3.03Å; L286-N289 PolarHBondContact O-N 2.61Å; L286-R290 VanDerWaalsContact O-CB 3.31Å; L286-R290 WeakPolarHBondContact O-CB 3.3Å; L286-R290 PolarHBondContact O-N 2.79Å; L286-V297 HydrophobicContact CB-CG1 4.47Å; L286-V297 HydrophobicContact CD2-CG1 4Å; L286-V297 HydrophobicContact CD2-CG2 3.87Å; L286-A299 HydrophobicContact CD1-CB 4.31Å
287	V	92.9	Very high	91.3	Very high	19 Å²	19	55 Å²	55	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-45.9	179.2	171.1	0	0	0	0	111.3	Y227 F228 L283 T285 N289 R290 L291	Y227-V287 HydrophobicContact CD2-CG1 3.78Å; Y227-V287 HydrophobicContact CG-CG1 3.95Å; F228-V287 HydrophobicContact CE1-CG2 4.23Å; F228-V287 HydrophobicContact CZ-CG2 3.97Å; L283-V287 HydrophobicContact CD1-CG2 4.28Å; L283-V287 WeakPolarHBondContact O-CG2 3.15Å; L283-V287 PolarHBondContact O-N 3.2Å; T285-V287 PolarHBondContact O-N 3.36Å; V287-N289 PolarHBondContact O-N 3.14Å; V287-R290 PolarHBondContact O-N 2.77Å; V287-L291 HydrophobicContact CG1-CD1 3.97Å; V287-L291 WeakPolarHBondContact O-CG 3.48Å; V287-L291 PolarHBondContact O-N 3.36Å
288	L	91.3	Very high	91.4	Very high	91 Å²	91	53.8 Å²	53.8	48%	0.476	30%	0.299	S	S	.	.	H	α-helix	trans	-62.7	-42.5	179.4	-74.7	172.3	0	0	0	112.1	S284 T285 L291 K292	S284-L288 WeakPolarHBondContact O-CB 3.34Å; S284-L288 VanDerWaalsContact O-CG 3.26Å; S284-L288 WeakPolarHBondContact O-CG 3.17Å; S284-L288 PolarHBondContact O-N 3.46Å; T285-L288 PolarHBondContact O-N 3.42Å; L288-L291 PolarHBondContact O-N 3.26Å; L288-K292 WeakPolarHBondContact O-CB 3.26Å; L288-K292 WeakPolarHBondContact O-CG 3.4Å; L288-K292 PolarHBondContact O-N 3.14Å
289	N	90.1	Very high	91.5	Very high	59 Å²	59	53.7 Å²	53.7	32%	0.316	30%	0.298	S	S	.	.	H	α-helix	trans	-71.3	-34.9	178.5	-75.9	-41.9	0	0	0	112.4	T285 L286 V287 L291 V293 G294 L295	T285-N289 VanDerWaalsContact CG2-ND2 3.32Å; T285-N289 WeakPolarHBondContact CG2-ND2 3.48Å; T285-N289 WeakPolarHBondContact O-CB 3.26Å; T285-N289 PolarHBondContact O-N 3.42Å; T285-N289 PolarHBondContact O-ND2 2.95Å; T285-N289 VanDerWaalsContact O-ND2 3.16Å; L286-N289 PolarHBondContact O-N 2.61Å; V287-N289 PolarHBondContact O-N 3.14Å; N289-L291 VanDerWaalsContact C-N 3.33Å; N289-L291 PolarHBondContact O-N 3.44Å; N289-V293 CarbonylContact O-C 3.48Å; N289-V293 WeakPolarHBondContact O-CA 3.49Å; N289-V293 WeakPolarHBondContact O-CB 3.46Å; N289-V293 PolarHBondContact O-N 3.02Å; N289-G294 PolarHBondContact O-N 2.99Å; N289-G294 VanDerWaalsContact O-N 3.12Å; N289-L295 HydrophobicContact CB-CB 4.26Å; N289-L295 HydrophobicContact CB-CD2 3.97Å; N289-L295 PolarHBondContact O-N 3.14Å
290	R	88.9	Confident	91.7	Very high	50 Å²	50	51.2 Å²	51.2	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-46.4	171.2	176.3	64.4	-173.2	108.7	4.6	111.4	F228 L286 V287 G294 L295	F228-R290 HydrophobicContact CD1-CG 4.32Å; L286-R290 VanDerWaalsContact O-CB 3.31Å; L286-R290 WeakPolarHBondContact O-CB 3.3Å; L286-R290 PolarHBondContact O-N 2.79Å; V287-R290 PolarHBondContact O-N 2.77Å; R290-G294 VanDerWaalsContact O-CA 3.26Å; R290-G294 WeakPolarHBondContact O-CA 3.31Å; R290-G294 PolarHBondContact O-N 3.15Å; R290-L295 WeakPolarHBondContact CD-O 3.17Å
291	L	88.4	Confident	91.8	Very high	101 Å²	101	52.3 Å²	52.3	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-75.8	-40.7	-176.6	-69.1	174.2	0	0	0	113.6	Y227 V287 L288 N289	Y227-L291 HydrophobicContact CD1-CD1 4.04Å; Y227-L291 HydrophobicContact CD1-CD2 4.16Å; Y227-L291 HydrophobicContact CG-CD1 4.25Å; V287-L291 HydrophobicContact CG1-CD1 3.97Å; V287-L291 WeakPolarHBondContact O-CG 3.48Å; V287-L291 PolarHBondContact O-N 3.36Å; L288-L291 PolarHBondContact O-N 3.26Å; N289-L291 VanDerWaalsContact C-N 3.33Å; N289-L291 PolarHBondContact O-N 3.44Å
292	K	88.9	Confident	91.9	Very high	170 Å²	170	46.8 Å²	46.8	74%	0.739	25%	0.251	S	S	*	.	H	α-helix	trans	-89.9	-40.2	-174.7	-68.4	-172.3	176.6	-176.7	0	113.7	L288	L288-K292 WeakPolarHBondContact O-CB 3.26Å; L288-K292 WeakPolarHBondContact O-CG 3.4Å; L288-K292 PolarHBondContact O-N 3.14Å
293	V	85.4	Confident	91.8	Very high	109 Å²	109	47.2 Å²	47.2	66%	0.661	25%	0.253	S	S	*	.	H	α-helix	trans	-104.7	-14.2	-171.9	-172	0	0	0	0	111.1	N289 L295	N289-V293 CarbonylContact O-C 3.48Å; N289-V293 WeakPolarHBondContact O-CA 3.49Å; N289-V293 WeakPolarHBondContact O-CB 3.46Å; N289-V293 PolarHBondContact O-N 3.02Å; V293-L295 VanDerWaalsContact C-N 3.31Å
294	G	83.1	Confident	91.5	Very high	38 Å²	38	46.3 Å²	46.3	39%	0.392	25%	0.253	S	S	.	.			trans	76.5	18.3	-177.4	0	0	0	0	0	113.4	N289 R290 Q296	N289-G294 PolarHBondContact O-N 2.99Å; N289-G294 VanDerWaalsContact O-N 3.12Å; R290-G294 VanDerWaalsContact O-CA 3.26Å; R290-G294 WeakPolarHBondContact O-CA 3.31Å; R290-G294 PolarHBondContact O-N 3.15Å; G294-Q296 PolarHBondContact O-N 3.14Å
295	L	87	Confident	91.1	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.173	26%	0.263	C	S	.	.			trans	-55	124	-179.4	-176.5	66.3	0	0	0	111.2	L261 N289 R290 V293 V297	L261-L295 HydrophobicContact CD2-CD2 4.09Å; N289-L295 HydrophobicContact CB-CB 4.26Å; N289-L295 HydrophobicContact CB-CD2 3.97Å; N289-L295 PolarHBondContact O-N 3.14Å; R290-L295 WeakPolarHBondContact CD-O 3.17Å; V293-L295 VanDerWaalsContact C-N 3.31Å; L295-V297 HydrophobicContact CD2-CG1 4.09Å; L295-V297 HydrophobicContact CG-CB 4.41Å; L295-V297 HydrophobicContact CG-CG1 4.17Å; L295-V297 PolarHBondContact O-N 3.29Å
296	Q	92.6	Very high	91	Very high	98 Å²	98	51.1 Å²	51.1	46%	0.458	28%	0.276	S	S	.	.			trans	-81.1	86.1	-178.2	-66.8	-179	-37.7	0	0	110.5	F239 P270 L271 G294	F239-Q296 HydrophobicContact CE1-CB 3.84Å; F239-Q296 HydrophobicContact CE1-CG 4.3Å; F239-Q296 HydrophobicContact CZ-CB 4.19Å; P270-Q296 CarbonylContact C-O 3.58Å; P270-Q296 VanDerWaalsContact CA-O 3.29Å; P270-Q296 WeakPolarHBondContact CA-O 3.27Å; P270-Q296 HydrophobicContact CB-CB 3.95Å; P270-Q296 HydrophobicContact CG-CB 4.2Å; L271-Q296 PolarHBondContact N-O 3.33Å; G294-Q296 PolarHBondContact O-N 3.14Å
297	V	95.3	Very high	90.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.7	-179.1	67.4	0	0	0	0	111.8	F228 L261 L271 I273 L286 L295	F228-V297 WeakPolarHBondContact CD1-O 3.39Å; F228-V297 HydrophobicContact CE1-CG1 4.16Å; L261-V297 HydrophobicContact CD2-CG2 4.26Å; L271-V297 HydrophobicContact CB-CG2 4.27Å; L271-V297 CarbonylContact O-C 3.58Å; L271-V297 VanDerWaalsContact O-CA 3.26Å; L271-V297 WeakPolarHBondContact O-CA 3.48Å; L271-V297 WeakPolarHBondContact O-CG2 3.11Å; I273-V297 HydrophobicContact CD1-CG2 4.05Å; I273-V297 HydrophobicContact CG1-CG2 4.39Å; L286-V297 HydrophobicContact CB-CG1 4.47Å; L286-V297 HydrophobicContact CD2-CG1 4Å; L286-V297 HydrophobicContact CD2-CG2 3.87Å; L295-V297 HydrophobicContact CD2-CG1 4.09Å; L295-V297 HydrophobicContact CG-CB 4.41Å; L295-V297 HydrophobicContact CG-CG1 4.17Å; L295-V297 PolarHBondContact O-N 3.29Å
298	V	96.6	Very high	90.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.4	169.5	67.2	0	0	0	0	109.9	F228 C237 F239 L271 V272 I273 V300 V350	F228-V298 HydrophobicContact CB-CB 4.34Å; F228-V298 HydrophobicContact CB-CG2 3.87Å; F228-V298 HydrophobicContact CD2-CG2 4.16Å; F228-V298 HydrophobicContact CG-CB 4.45Å; F228-V298 HydrophobicContact CG-CG2 4.12Å; C237-V298 HydrophobicContact CB-CG2 4.37Å; F239-V298 HydrophobicContact CD2-CG1 4.09Å; F239-V298 HydrophobicContact CE2-CB 3.89Å; F239-V298 HydrophobicContact CE2-CG1 3.68Å; L271-V298 PolarHBondContact O-N 2.85Å; V272-V298 HydrophobicContact CB-CG1 4.2Å; V272-V298 HydrophobicContact CG1-CG1 4Å; V272-V298 HydrophobicContact CG2-CG1 3.87Å; I273-V298 PolarHBondContact N-O 3.5Å; V298-V300 HydrophobicContact CG2-CG2 4.34Å; V298-V350 HydrophobicContact CG1-CG2 3.97Å; V298-V350 HydrophobicContact CG2-CB 4.22Å; V298-V350 HydrophobicContact CG2-CG1 4.11Å; V298-V350 HydrophobicContact CG2-CG2 4.12Å
299	A	96.8	Very high	90.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.2	176.4	0	0	0	0	0	110.6	I224 F228 I273 V278 L286	I224-A299 HydrophobicContact CD1-CB 4.13Å; I224-A299 PolarHBondContact N-O 2.91Å; F228-A299 HydrophobicContact CE2-CB 3.95Å; F228-A299 HydrophobicContact CZ-CB 4.18Å; I273-A299 HydrophobicContact CB-CB 4.47Å; I273-A299 WeakPolarHBondContact O-CA 3.47Å; V278-A299 HydrophobicContact CB-CB 4.17Å; V278-A299 HydrophobicContact CG1-CB 4.28Å; V278-A299 HydrophobicContact CG2-CB 4.08Å; L286-A299 HydrophobicContact CD1-CB 4.31Å
300	V	96.6	Very high	90.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.6	-175	-179	0	0	0	0	108.7	F219 R221 I273 I274 A275 V298 V350 T355	F219-V300 HydrophobicContact CE2-CG1 3.68Å; F219-V300 HydrophobicContact CZ-CG1 4.06Å; R221-V300 HydrophobicContact CB-CG1 3.82Å; R221-V300 WeakPolarHBondContact O-CG1 3.49Å; I273-V300 PolarHBondContact O-N 3.5Å; I274-V300 WeakPolarHBondContact CA-O 3.48Å; A275-V300 PolarHBondContact N-O 3.35Å; V298-V300 HydrophobicContact CG2-CG2 4.34Å; V300-V350 HydrophobicContact CG2-CG1 3.73Å; V300-V350 HydrophobicContact CG2-CG2 4.15Å; V300-T355 WeakPolarHBondContact CG1-OG1 3.48Å
301	K	95.9	Very high	90.7	Very high	71 Å²	71	55.2 Å²	55.2	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.9	173.9	-61.4	-166.1	-174.9	-150.1	0	110.8	R221 I224 A275 D277	R221-K301 VanDerWaalsContact CB-O 3.22Å; R221-K301 WeakPolarHBondContact CB-O 3.38Å; R221-K301 VanDerWaalsContact CG-O 3.29Å; R221-K301 WeakPolarHBondContact CG-O 3.43Å; I224-K301 HydrophobicContact CD1-CG 3.87Å; I224-K301 HydrophobicContact CG1-CG 3.87Å; A275-K301 CarbonylContact O-C 3.52Å; A275-K301 WeakPolarHBondContact O-CA 3.18Å; D277-K301 WeakPolarHBondContact OD1-CE 3.38Å; D277-K301 IonicContact OD1-NZ 2.97Å; D277-K301 PolarHBondContact OD1-NZ 2.97Å; D277-K301 IonicContact OD2-NZ 2.76Å; D277-K301 PolarHBondContact OD2-NZ 3.38Å
302	A	94.6	Very high	90.9	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-62.8	139.4	173.8	0	0	0	0	0	110.7	I274 A275 R309 L313	I274-A302 HydrophobicContact CG2-CB 4.38Å; A275-A302 WeakPolarHBondContact O-CB 3.48Å; A275-A302 PolarHBondContact O-N 3Å; A302-R309 HydrophobicContact CB-CG 3.86Å; A302-L313 HydrophobicContact CB-CD1 4.26Å; A302-L313 HydrophobicContact CB-CD2 3.84Å; A302-L313 HydrophobicContact CB-CG 4.27Å
303	P	91.7	Very high	91.2	Very high	9 Å²	9	43 Å²	43	6%	0.058	24%	0.239	C	C	.	.	S	Bend	trans	-74.8	155	174.2	32.4	-35	0	0	0	111.5	F219 R221 R309 Q312 M316	F219-P303 HydrophobicContact CB-CB 3.99Å; F219-P303 HydrophobicContact CB-CG 3.93Å; F219-P303 HydrophobicContact CD2-CB 3.87Å; F219-P303 HydrophobicContact CD2-CG 3.68Å; F219-P303 HydrophobicContact CE2-CG 4.33Å; F219-P303 HydrophobicContact CG-CB 4.24Å; F219-P303 HydrophobicContact CG-CG 3.88Å; R221-P303 HydrophobicContact CG-CB 4.26Å; P303-R309 WeakPolarHBondContact O-CA 3.38Å; P303-R309 WeakPolarHBondContact O-CG 3.47Å; P303-Q312 HydrophobicContact CG-CB 4.36Å; P303-Q312 VanDerWaalsContact CG-OE1 3.23Å; P303-Q312 PolarHBondContact O-OE1 3.01Å; P303-M316 HydrophobicContact CG-CE 4.04Å
304	G	87.1	Confident	91.5	Very high	19 Å²	19	41.7 Å²	41.7	20%	0.196	22%	0.224	C	C	.	.	S	Bend	trans	76.2	-176.3	-179.9	0	0	0	0	0	115.4
305	F	85.4	Confident	91.9	Very high	157 Å²	157	40 Å²	40	69%	0.689	21%	0.207	S	C	*	.	S	Bend	trans	-140.3	153.6	179.1	-62.6	-86.7	0	0	0	109.9	D307 N308 R309	F305-D307 PolarHBondContact O-N 2.78Å; F305-N308 PolarHBondContact O-N 2.87Å; F305-R309 PolarHBondContact O-N 3.3Å
306	G	89.2	Confident	92.2	Very high	46 Å²	46	38.6 Å²	38.6	47%	0.474	20%	0.199	S	C	.	.	H	α-helix	trans	53.7	-136.1	178.2	0	0	0	0	0	113	N308 R309 K310	G306-N308 VanDerWaalsContact C-N 3.26Å; G306-N308 PolarHBondContact O-N 3.34Å; G306-R309 WeakPolarHBondContact O-CB 3.13Å; G306-R309 PolarHBondContact O-N 3.22Å; G306-R309 VanDerWaalsContact O-N 3.09Å; G306-K310 PolarHBondContact O-N 3.19Å
307	D	87.1	Confident	92.3	Very high	119 Å²	119	34.1 Å²	34.1	64%	0.636	18%	0.179	S	C	*	.	H	α-helix	trans	-64.3	-28.9	-178.2	-61.6	-33.5	0	0	0	113.4	F305 R309 K310 N311	F305-D307 PolarHBondContact O-N 2.78Å; D307-R309 VanDerWaalsContact C-N 3.3Å; D307-R309 PolarHBondContact O-N 3.27Å; D307-K310 PolarHBondContact O-N 3.35Å; D307-N311 WeakPolarHBondContact O-CB 3.44Å; D307-N311 PolarHBondContact O-N 3.47Å; D307-N311 PolarHBondContact O-ND2 3.47Å
308	N	87.7	Confident	92.1	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-37.5	175.2	-174.6	43.9	0	0	0	111	F305 G306 N311 Q312	F305-N308 PolarHBondContact O-N 2.87Å; G306-N308 VanDerWaalsContact C-N 3.26Å; G306-N308 PolarHBondContact O-N 3.34Å; N308-N311 PolarHBondContact O-N 3.06Å; N308-Q312 PolarHBondContact ND2-NE2 2.86Å; N308-Q312 VanDerWaalsContact ND2-NE2 3.11Å; N308-Q312 WeakPolarHBondContact O-CB 3.33Å; N308-Q312 VanDerWaalsContact O-CG 3.25Å; N308-Q312 WeakPolarHBondContact O-CG 3.48Å; N308-Q312 PolarHBondContact O-N 3.4Å; N308-Q312 PolarHBondContact OD1-NE2 3.26Å
309	R	92.3	Very high	91.9	Very high	39 Å²	39	36.3 Å²	36.3	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-46.7	174	-179.3	175.6	70.9	-167.8	9.2	111.4	E276 A302 P303 F305 G306 D307 N311 Q312 L313	E276-R309 VanDerWaalsContact CD-CZ 3.5Å; E276-R309 IonicContact OE1-CZ 2.85Å; E276-R309 IonicContact OE1-NH1 3.88Å; E276-R309 PolarHBondContact OE1-NH1 2.77Å; E276-R309 IonicContact OE1-NH2 3.3Å; E276-R309 PolarHBondContact OE1-NH2 3.45Å; E276-R309 IonicContact OE2-NH2 2.73Å; E276-R309 PolarHBondContact OE2-NH2 2.87Å; A302-R309 HydrophobicContact CB-CG 3.86Å; P303-R309 WeakPolarHBondContact O-CA 3.38Å; P303-R309 WeakPolarHBondContact O-CG 3.47Å; F305-R309 PolarHBondContact O-N 3.3Å; G306-R309 WeakPolarHBondContact O-CB 3.13Å; G306-R309 PolarHBondContact O-N 3.22Å; G306-R309 VanDerWaalsContact O-N 3.09Å; D307-R309 VanDerWaalsContact C-N 3.3Å; D307-R309 PolarHBondContact O-N 3.27Å; R309-N311 VanDerWaalsContact C-N 3.31Å; R309-N311 PolarHBondContact O-N 3.49Å; R309-Q312 PolarHBondContact O-N 2.97Å; R309-L313 HydrophobicContact CG-CD1 3.94Å; R309-L313 HydrophobicContact CG-CG 4.4Å; R309-L313 WeakPolarHBondContact O-CG 2.98Å; R309-L313 PolarHBondContact O-N 3.01Å
310	K	92.1	Very high	91.7	Very high	58 Å²	58	36.4 Å²	36.4	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-57.4	-47.2	178.3	-58.1	-167	-171.9	-140.7	0	111	E248 G306 D307 L313 K314 E328	E248-K310 HydrophobicContact CG-CG 4.4Å; E248-K310 VanDerWaalsContact OE1-CD 3.23Å; E248-K310 WeakPolarHBondContact OE1-CD 3.47Å; E248-K310 WeakPolarHBondContact OE1-CE 3.25Å; E248-K310 IonicContact OE1-NZ 2.77Å; E248-K310 PolarHBondContact OE1-NZ 3.11Å; G306-K310 PolarHBondContact O-N 3.19Å; D307-K310 PolarHBondContact O-N 3.35Å; K310-L313 PolarHBondContact O-N 2.92Å; K310-K314 PolarHBondContact O-N 3.41Å; K310-E328 IonicContact NZ-OE2 2.95Å; K310-E328 PolarHBondContact NZ-OE2 3.08Å
311	N	92	Very high	91.5	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-43.3	177.9	-79.5	-55.5	0	0	0	112.9	D307 N308 R309 K314 D315 R370	D307-N311 WeakPolarHBondContact O-CB 3.44Å; D307-N311 PolarHBondContact O-N 3.47Å; D307-N311 PolarHBondContact O-ND2 3.47Å; N308-N311 PolarHBondContact O-N 3.06Å; R309-N311 VanDerWaalsContact C-N 3.31Å; R309-N311 PolarHBondContact O-N 3.49Å; N311-K314 WeakPolarHBondContact O-CB 3.41Å; N311-K314 PolarHBondContact O-N 2.96Å; N311-D315 PolarHBondContact O-N 2.63Å; N311-D315 VanDerWaalsContact O-OD1 3.13Å; N311-R370 PolarHBondContact OD1-NH2 3.4Å
312	Q	92.4	Very high	91.2	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.065	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-37	177.3	-72.3	-179.7	13.9	0	0	112.8	P303 N308 R309 K314 D315 M316 R393	P303-Q312 HydrophobicContact CG-CB 4.36Å; P303-Q312 VanDerWaalsContact CG-OE1 3.23Å; P303-Q312 PolarHBondContact O-OE1 3.01Å; N308-Q312 PolarHBondContact ND2-NE2 2.86Å; N308-Q312 VanDerWaalsContact ND2-NE2 3.11Å; N308-Q312 WeakPolarHBondContact O-CB 3.33Å; N308-Q312 VanDerWaalsContact O-CG 3.25Å; N308-Q312 WeakPolarHBondContact O-CG 3.48Å; N308-Q312 PolarHBondContact O-N 3.4Å; N308-Q312 PolarHBondContact OD1-NE2 3.26Å; R309-Q312 PolarHBondContact O-N 2.97Å; Q312-K314 VanDerWaalsContact C-N 3.33Å; Q312-D315 PolarHBondContact O-N 3.29Å; Q312-M316 WeakPolarHBondContact O-CG 3.29Å; Q312-M316 PolarHBondContact O-N 3.23Å; Q312-R393 HydrophobicContact CG-CG 4.21Å
313	L	93.7	Very high	91.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-41.3	173.6	-71.8	166.9	0	0	0	111.5	I246 E248 I274 A302 R309 K310 M316 A317 V324	I246-L313 HydrophobicContact CG2-CB 3.99Å; I246-L313 HydrophobicContact CG2-CD2 3.46Å; I246-L313 VanDerWaalsContact CG2-CD2 3.46Å; I246-L313 HydrophobicContact CG2-CG 4.28Å; E248-L313 HydrophobicContact CB-CD1 4.36Å; E248-L313 HydrophobicContact CG-CD1 4.47Å; I274-L313 HydrophobicContact CG2-CD2 3.93Å; A302-L313 HydrophobicContact CB-CD1 4.26Å; A302-L313 HydrophobicContact CB-CD2 3.84Å; A302-L313 HydrophobicContact CB-CG 4.27Å; R309-L313 HydrophobicContact CG-CD1 3.94Å; R309-L313 HydrophobicContact CG-CG 4.4Å; R309-L313 WeakPolarHBondContact O-CG 2.98Å; R309-L313 PolarHBondContact O-N 3.01Å; K310-L313 PolarHBondContact O-N 2.92Å; L313-M316 HydrophobicContact CD2-CE 3.61Å; L313-M316 HydrophobicContact CG-CE 4.2Å; L313-M316 PolarHBondContact O-N 3.16Å; L313-A317 WeakPolarHBondContact O-CB 3.32Å; L313-A317 PolarHBondContact O-N 3.04Å; L313-V324 HydrophobicContact CB-CG1 4.3Å; L313-V324 HydrophobicContact CB-CG2 4.35Å
314	K	92.4	Very high	91.1	Very high	81 Å²	81	37 Å²	37	35%	0.352	22%	0.216	S	C	.	.	H	α-helix	trans	-64.6	-41.8	174.8	-171.5	168.5	-173.9	160.8	0	112.3	K310 N311 Q312 M316 A317 I318	K310-K314 PolarHBondContact O-N 3.41Å; N311-K314 WeakPolarHBondContact O-CB 3.41Å; N311-K314 PolarHBondContact O-N 2.96Å; Q312-K314 VanDerWaalsContact C-N 3.33Å; K314-M316 PolarHBondContact O-N 3.33Å; K314-A317 PolarHBondContact O-N 3.48Å; K314-I318 HydrophobicContact CG-CD1 4.05Å; K314-I318 WeakPolarHBondContact O-CG1 3.41Å; K314-I318 PolarHBondContact O-N 3.37Å
315	D	92.6	Very high	91.3	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-44	175.8	-61.2	-16.1	0	0	0	110.9	N311 Q312 I318 A319 R370 R393 L397	N311-D315 PolarHBondContact O-N 2.63Å; N311-D315 VanDerWaalsContact O-OD1 3.13Å; Q312-D315 PolarHBondContact O-N 3.29Å; D315-I318 PolarHBondContact O-N 2.99Å; D315-A319 VanDerWaalsContact O-CB 3.3Å; D315-A319 WeakPolarHBondContact O-CB 3.38Å; D315-A319 PolarHBondContact O-N 3.36Å; D315-R370 IonicContact OD1-CZ 2.63Å; D315-R370 VanDerWaalsContact OD1-CZ 3.3Å; D315-R370 IonicContact OD1-NE 2.79Å; D315-R370 PolarHBondContact OD1-NE 3.21Å; D315-R370 IonicContact OD1-NH2 3.92Å; D315-R370 PolarHBondContact OD1-NH2 3.03Å; D315-R393 VanDerWaalsContact CG-NH2 3.33Å; D315-R393 IonicContact OD1-NH2 3.26Å; D315-R393 PolarHBondContact OD1-NH2 3.28Å; D315-R393 IonicContact OD2-CZ 3.16Å; D315-R393 VanDerWaalsContact OD2-CZ 3.24Å; D315-R393 IonicContact OD2-NE 3.96Å; D315-R393 PolarHBondContact OD2-NE 2.86Å; D315-R393 IonicContact OD2-NH2 2.97Å; D315-R393 PolarHBondContact OD2-NH2 2.84Å; D315-L397 HydrophobicContact CB-CD1 4.1Å; D315-L397 HydrophobicContact CB-CD2 4.21Å; D315-L397 HydrophobicContact CB-CG 4.45Å
316	M	92.6	Very high	91.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-41.8	173.8	-75.4	-174.9	-69.7	0	0	112.5	M217 F219 I246 I274 P303 Q312 L313 K314 A319 T320	M217-M316 HydrophobicContact CE-CB 4.14Å; M217-M316 HydrophobicContact CE-CG 3.21Å; M217-M316 HydrophobicContact CE-SD 4.44Å; M217-M316 HydrophobicContact SD-CB 4.13Å; M217-M316 HydrophobicContact SD-CG 3.56Å; M217-M316 VanDerWaalsContact SD-CG 3.56Å; F219-M316 HydrophobicContact CD1-SD 3.9Å; F219-M316 HydrophobicContact CE1-SD 3.61Å; F219-M316 HydrophobicContact CZ-SD 4.09Å; I246-M316 HydrophobicContact CD1-CB 4.04Å; I274-M316 HydrophobicContact CD1-SD 3.93Å; I274-M316 HydrophobicContact CG2-CE 4.04Å; I274-M316 HydrophobicContact CG2-SD 4.49Å; P303-M316 HydrophobicContact CG-CE 4.04Å; Q312-M316 WeakPolarHBondContact O-CG 3.29Å; Q312-M316 PolarHBondContact O-N 3.23Å; L313-M316 HydrophobicContact CD2-CE 3.61Å; L313-M316 HydrophobicContact CG-CE 4.2Å; L313-M316 PolarHBondContact O-N 3.16Å; K314-M316 PolarHBondContact O-N 3.33Å; M316-A319 PolarHBondContact O-N 2.98Å; M316-T320 WeakPolarHBondContact O-CB 3.46Å; M316-T320 WeakPolarHBondContact O-CG2 3.3Å; M316-T320 PolarHBondContact O-N 3.47Å; M316-T320 PolarHBondContact O-OG1 2.94Å
317	A	93.4	Very high	90.5	Very high	5 Å²	5	29.9 Å²	29.9	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-47.5	178.7	0	0	0	0	0	111.3	I246 L313 K314 T320 G321 G322 V324	I246-A317 HydrophobicContact CD1-CB 3.82Å; L313-A317 WeakPolarHBondContact O-CB 3.32Å; L313-A317 PolarHBondContact O-N 3.04Å; K314-A317 PolarHBondContact O-N 3.48Å; A317-T320 PolarHBondContact O-N 3.39Å; A317-T320 PolarHBondContact O-OG1 2.73Å; A317-G321 CarbonylContact O-C 3.55Å; A317-G321 WeakPolarHBondContact O-CA 3.47Å; A317-G321 PolarHBondContact O-N 3.47Å; A317-G322 WeakPolarHBondContact CB-O 3.46Å; A317-G322 PolarHBondContact O-N 3.01Å; A317-V324 HydrophobicContact CB-CG2 3.54Å
318	I	92.8	Very high	89.4	Confident	29 Å²	29	31.9 Å²	31.9	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-45.7	177.1	-65.8	166.4	0	0	0	111	K314 D315 T320 G321 G362 Q366 I367 R370	K314-I318 HydrophobicContact CG-CD1 4.05Å; K314-I318 WeakPolarHBondContact O-CG1 3.41Å; K314-I318 PolarHBondContact O-N 3.37Å; D315-I318 PolarHBondContact O-N 2.99Å; I318-T320 VanDerWaalsContact C-N 3.27Å; I318-T320 PolarHBondContact O-N 2.91Å; I318-G321 PolarHBondContact O-N 2.86Å; I318-G362 WeakPolarHBondContact O-CA 3.47Å; I318-Q366 HydrophobicContact CG2-CB 3.96Å; I318-I367 HydrophobicContact CG2-CG1 4.01Å; I318-R370 HydrophobicContact CD1-CB 4.16Å; I318-R370 HydrophobicContact CD1-CG 3.92Å; I318-R370 HydrophobicContact CG2-CB 4.46Å
319	A	91	Very high	88	Confident	17 Å²	17	34 Å²	34	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-31.8	-179.6	0	0	0	0	0	113.1	M217 D315 M316 G360 G362 L397	M217-A319 HydrophobicContact SD-CB 4Å; D315-A319 VanDerWaalsContact O-CB 3.3Å; D315-A319 WeakPolarHBondContact O-CB 3.38Å; D315-A319 PolarHBondContact O-N 3.36Å; M316-A319 PolarHBondContact O-N 2.98Å; A319-G360 CarbonylContact O-C 3.59Å; A319-G360 WeakPolarHBondContact O-CA 3.33Å; A319-G362 WeakPolarHBondContact O-CA 3.41Å; A319-G362 PolarHBondContact O-N 3.43Å; A319-G362 VanDerWaalsContact O-N 3.1Å; A319-L397 HydrophobicContact CB-CD2 4.18Å
320	T	93.2	Very high	86.6	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-96.9	-9.7	-180	61.4	0	0	0	0	113.9	M316 A317 I318 G343 K344 V345 L357	M316-T320 WeakPolarHBondContact O-CB 3.46Å; M316-T320 WeakPolarHBondContact O-CG2 3.3Å; M316-T320 PolarHBondContact O-N 3.47Å; M316-T320 PolarHBondContact O-OG1 2.94Å; A317-T320 PolarHBondContact O-N 3.39Å; A317-T320 PolarHBondContact O-OG1 2.73Å; I318-T320 VanDerWaalsContact C-N 3.27Å; I318-T320 PolarHBondContact O-N 2.91Å; T320-G343 WeakPolarHBondContact OG1-CA 3.43Å; T320-K344 PolarHBondContact O-N 2.96Å; T320-V345 HydrophobicContact CG2-CG1 3.47Å; T320-V345 VanDerWaalsContact CG2-CG1 3.47Å; T320-L357 HydrophobicContact CG2-CD1 4.17Å
321	G	91.6	Very high	85.3	Confident	39 Å²	39	40.2 Å²	40.2	40%	0.402	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	28.8	-176.3	0	0	0	0	0	114.1	A317 I318	A317-G321 CarbonylContact O-C 3.55Å; A317-G321 WeakPolarHBondContact O-CA 3.47Å; A317-G321 PolarHBondContact O-N 3.47Å; I318-G321 PolarHBondContact O-N 2.86Å
322	G	91	Very high	84.6	Confident	19 Å²	19	40.3 Å²	40.3	20%	0.196	25%	0.252	C	S	.	.			trans	-108.9	179.7	177.7	0	0	0	0	0	113.4	A317 D341	A317-G322 WeakPolarHBondContact CB-O 3.46Å; A317-G322 PolarHBondContact O-N 3.01Å; G322-D341 WeakPolarHBondContact CA-O 3.33Å
323	A	91.6	Very high	84.2	Confident	25 Å²	25	43.7 Å²	43.7	21%	0.207	27%	0.27	C	S	.	.			trans	-107.5	154.1	174	0	0	0	0	0	111.8	L332 D341	A323-L332 HydrophobicContact CB-CD1 4.28Å; A323-D341 HydrophobicContact CB-CB 4.44Å; A323-D341 PolarHBondContact N-O 3.19Å
324	V	92.1	Very high	83.9	Confident	12 Å²	12	44.6 Å²	44.6	7%	0.073	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120	171.8	-175.5	0	0	0	0	108.9	I246 E248 L313 A317	I246-V324 HydrophobicContact CG2-CG1 4.29Å; I246-V324 HydrophobicContact CG2-CG2 4.09Å; E248-V324 HydrophobicContact CB-CG1 4.22Å; L313-V324 HydrophobicContact CB-CG1 4.3Å; L313-V324 HydrophobicContact CB-CG2 4.35Å; A317-V324 HydrophobicContact CB-CG2 3.54Å
325	F	90.9	Very high	83.6	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.3	177.6	-70	-88.8	0	0	0	111.7	L245 I246 E248 L332 N333 V334 I337 D341	L245-F325 HydrophobicContact CD1-CD2 3.61Å; L245-F325 HydrophobicContact CD1-CE2 3.63Å; I246-F325 WeakPolarHBondContact O-CD2 3.49Å; I246-F325 PolarHBondContact O-N 2.8Å; E248-F325 PolarHBondContact N-O 3.26Å; F325-L332 HydrophobicContact CD1-CB 4.04Å; F325-L332 HydrophobicContact CE1-CB 4.3Å; F325-N333 WeakPolarHBondContact CD1-O 3.46Å; F325-N333 WeakPolarHBondContact CE1-O 3.13Å; F325-V334 HydrophobicContact CB-CG2 3.75Å; F325-V334 HydrophobicContact CD1-CG2 4.36Å; F325-V334 HydrophobicContact CG-CG2 4.11Å; F325-I337 HydrophobicContact CE1-CB 4.2Å; F325-I337 HydrophobicContact CE1-CG1 4.4Å; F325-I337 HydrophobicContact CE2-CD1 3.69Å; F325-I337 HydrophobicContact CE2-CG1 4.25Å; F325-I337 HydrophobicContact CZ-CB 3.92Å; F325-I337 HydrophobicContact CZ-CD1 3.57Å; F325-I337 HydrophobicContact CZ-CG1 3.62Å; F325-D341 HydrophobicContact CE2-CB 4.11Å; F325-D341 HydrophobicContact CZ-CB 3.59Å
326	G	82.7	Confident	83.4	Confident	14 Å²	14	50.8 Å²	50.8	14%	0.144	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.3	177	0	0	0	0	0	115.8	L332	G326-L332 PolarHBondContact N-O 3.25Å
327	E	75.6	Confident	83.3	Confident	58 Å²	58	50.8 Å²	50.8	27%	0.271	31%	0.309	S	S	.	.			trans	-63	136.3	173.3	-172.3	173.8	-171.6	0	0	111.1	E248 G329 L330	E248-E327 WeakPolarHBondContact OE2-CA 3.44Å; E327-G329 PolarHBondContact O-N 3.19Å; E327-L330 PolarHBondContact O-N 3.39Å; E327-L330 WeakPolarHBondContact OE2-CD1 3.42Å
328	E	62.5	Low	83.2	Confident	161 Å²	161	55 Å²	55	75%	0.752	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	103.9	177.5	-73.5	174.6	151.2	0	0	110.3	K310	K310-E328 IonicContact NZ-OE2 2.95Å; K310-E328 PolarHBondContact NZ-OE2 3.08Å
329	G	59.3	Low	83.1	Confident	82 Å²	82	56 Å²	56	85%	0.845	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	119	-12.9	179	0	0	0	0	0	114.9	E327	E327-G329 PolarHBondContact O-N 3.19Å
330	L	63	Low	83	Confident	93 Å²	93	61.4 Å²	61.4	49%	0.487	36%	0.358	S	S	.	.			trans	-110.8	124.4	170.3	-89.4	122.1	0	0	0	110.4	E327 L332	E327-L330 PolarHBondContact O-N 3.39Å; E327-L330 WeakPolarHBondContact OE2-CD1 3.42Å; L330-L332 HydrophobicContact CD2-CD1 4.06Å; L330-L332 PolarHBondContact O-N 2.99Å
331	T	64.6	Low	83	Confident	134 Å²	134	62.2 Å²	62.2	82%	0.822	36%	0.362	S	S	*	.			trans	-79.9	41	-178.4	-26.4	0	0	0	0	112.8
332	L	77.9	Confident	83.1	Confident	55 Å²	55	60.4 Å²	60.4	29%	0.288	34%	0.343	S	S	.	.			trans	-96.4	103.3	178.8	-69.5	172.7	0	0	0	109.9	A323 F325 G326 L330	A323-L332 HydrophobicContact CB-CD1 4.28Å; F325-L332 HydrophobicContact CD1-CB 4.04Å; F325-L332 HydrophobicContact CE1-CB 4.3Å; G326-L332 PolarHBondContact N-O 3.25Å; L330-L332 HydrophobicContact CD2-CD1 4.06Å; L330-L332 PolarHBondContact O-N 2.99Å
333	N	84.6	Confident	83.2	Confident	85 Å²	85	59.5 Å²	59.5	46%	0.455	33%	0.334	S	S	.	.			trans	-87.1	147.5	171.1	-61.7	-45.7	0	0	0	110.2	F325 E335 D336	F325-N333 WeakPolarHBondContact CD1-O 3.46Å; F325-N333 WeakPolarHBondContact CE1-O 3.13Å; N333-E335 PolarHBondContact O-N 3.07Å; N333-D336 PolarHBondContact O-N 2.92Å; N333-D336 VanDerWaalsContact O-N 3.16Å
334	V	85.8	Confident	83.4	Confident	19 Å²	19	62 Å²	62	12%	0.115	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.3	-28.4	178.1	-171.1	0	0	0	0	111.5	L245 S256 F325 D336 I337	L245-V334 HydrophobicContact CD1-CG1 4.27Å; L245-V334 HydrophobicContact CD2-CG1 4.01Å; S256-V334 WeakPolarHBondContact O-CG1 3.49Å; F325-V334 HydrophobicContact CB-CG2 3.75Å; F325-V334 HydrophobicContact CD1-CG2 4.36Å; F325-V334 HydrophobicContact CG-CG2 4.11Å; V334-D336 PolarHBondContact O-N 3.49Å; V334-I337 WeakPolarHBondContact O-CB 3.3Å; V334-I337 VanDerWaalsContact O-CG2 3.24Å; V334-I337 WeakPolarHBondContact O-CG2 3.29Å; V334-I337 PolarHBondContact O-N 3.33Å
335	E	87.4	Confident	83.5	Confident	115 Å²	115	61.5 Å²	61.5	54%	0.537	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.5	-27.1	178.9	-69	170.2	-162.3	0	0	113.2	P259 N333	P259-E335 WeakPolarHBondContact CG-O 3.44Å; N333-E335 PolarHBondContact O-N 3.07Å
336	D	87.7	Confident	83.6	Confident	99 Å²	99	62.1 Å²	62.1	53%	0.529	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-98.8	11.1	-175.3	-60.4	-52.7	0	0	0	113	N333 V334 Q338	N333-D336 PolarHBondContact O-N 2.92Å; N333-D336 VanDerWaalsContact O-N 3.16Å; V334-D336 PolarHBondContact O-N 3.49Å; D336-Q338 PolarHBondContact O-N 3.27Å; D336-Q338 PolarHBondContact O-NE2 2.94Å
337	I	91.3	Very high	84	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.015	35%	0.345	C	S	.	.			trans	-54.7	135	-172.9	-175.1	156.4	0	0	0	113.6	L245 P259 A260 I263 F325 V334 D341 F342	L245-I337 HydrophobicContact CD1-CD1 3.5Å; P259-I337 HydrophobicContact CB-CG2 3.98Å; A260-I337 HydrophobicContact CB-CD1 4.32Å; A260-I337 HydrophobicContact CB-CG2 4.08Å; I263-I337 HydrophobicContact CD1-CG2 4.16Å; I263-I337 VanDerWaalsContact CD1-O 3.31Å; I263-I337 WeakPolarHBondContact CD1-O 3.46Å; F325-I337 HydrophobicContact CE1-CB 4.2Å; F325-I337 HydrophobicContact CE1-CG1 4.4Å; F325-I337 HydrophobicContact CE2-CD1 3.69Å; F325-I337 HydrophobicContact CE2-CG1 4.25Å; F325-I337 HydrophobicContact CZ-CB 3.92Å; F325-I337 HydrophobicContact CZ-CD1 3.57Å; F325-I337 HydrophobicContact CZ-CG1 3.62Å; V334-I337 WeakPolarHBondContact O-CB 3.3Å; V334-I337 VanDerWaalsContact O-CG2 3.24Å; V334-I337 WeakPolarHBondContact O-CG2 3.29Å; V334-I337 PolarHBondContact O-N 3.33Å; I337-D341 HydrophobicContact CG1-CB 4.27Å; I337-F342 HydrophobicContact CD1-CD1 3.93Å; I337-F342 HydrophobicContact CD1-CD2 4.14Å; I337-F342 HydrophobicContact CD1-CE1 3.42Å; I337-F342 VanDerWaalsContact CD1-CE1 3.42Å; I337-F342 HydrophobicContact CD1-CE2 3.65Å; I337-F342 HydrophobicContact CD1-CG 4.28Å; I337-F342 HydrophobicContact CD1-CZ 3.29Å; I337-F342 HydrophobicContact CG1-CD2 4.25Å; I337-F342 HydrophobicContact CG1-CE1 4.39Å; I337-F342 HydrophobicContact CG1-CE2 3.71Å; I337-F342 HydrophobicContact CG1-CZ 3.82Å
338	Q	91.3	Very high	84.8	Confident	94 Å²	94	60.4 Å²	60.4	44%	0.439	33%	0.332	S	S	.	.			trans	-111.2	159.8	174.5	-58.3	-57.1	-52.4	0	0	111.8	D336 H340 D341 F342	D336-Q338 PolarHBondContact O-N 3.27Å; D336-Q338 PolarHBondContact O-NE2 2.94Å; Q338-H340 WeakPolarHBondContact CB-CE1 3.5Å; Q338-H340 PolarHBondContact O-N 3.37Å; Q338-D341 WeakPolarHBondContact CA-OD2 3.22Å; Q338-D341 VanDerWaalsContact CB-OD2 3.31Å; Q338-D341 WeakPolarHBondContact CB-OD2 3.31Å; Q338-D341 PolarHBondContact N-OD2 3.42Å; Q338-D341 PolarHBondContact O-N 3.48Å; Q338-F342 WeakPolarHBondContact O-CD2 3.33Å
339	P	89.3	Confident	86.3	Confident	48 Å²	48	53.2 Å²	53.2	31%	0.312	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.4	179.3	-27.1	35.2	0	0	0	115.6	I263	I263-P339 HydrophobicContact CG2-CB 4.38Å; I263-P339 HydrophobicContact CG2-CG 4.02Å
340	H	90	Very high	87.9	Confident	131 Å²	131	49.4 Å²	49.4	61%	0.606	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-16.2	178.5	59.1	-94.1	0	0	0	113.6	Q338 F342	Q338-H340 WeakPolarHBondContact CB-CE1 3.5Å; Q338-H340 PolarHBondContact O-N 3.37Å; H340-F342 VanDerWaalsContact C-N 3.33Å
341	D	91.9	Very high	89.3	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.102	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-19.1	179.1	-56.8	-43.2	0	0	0	112.4	G322 A323 F325 I337 Q338	G322-D341 WeakPolarHBondContact CA-O 3.33Å; A323-D341 HydrophobicContact CB-CB 4.44Å; A323-D341 PolarHBondContact N-O 3.19Å; F325-D341 HydrophobicContact CE2-CB 4.11Å; F325-D341 HydrophobicContact CZ-CB 3.59Å; I337-D341 HydrophobicContact CG1-CB 4.27Å; Q338-D341 WeakPolarHBondContact CA-OD2 3.22Å; Q338-D341 VanDerWaalsContact CB-OD2 3.31Å; Q338-D341 WeakPolarHBondContact CB-OD2 3.31Å; Q338-D341 PolarHBondContact N-OD2 3.42Å; Q338-D341 PolarHBondContact O-N 3.48Å
342	F	93.7	Very high	90.4	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.232	C	C	.	.	S	Bend	trans	-69.3	131.2	174.9	-71	-77.8	0	0	0	111.6	Y243 L245 A260 I263 L271 I337 Q338 H340	Y243-F342 HydrophobicContact CD1-CB 3.96Å; Y243-F342 HydrophobicContact CD1-CG 4.49Å; Y243-F342 HydrophobicContact CD2-CD2 4.46Å; Y243-F342 HydrophobicContact CD2-CG 4.39Å; Y243-F342 HydrophobicContact CG-CB 4.02Å; Y243-F342 HydrophobicContact CG-CD1 4.38Å; Y243-F342 HydrophobicContact CG-CG 4.09Å; L245-F342 HydrophobicContact CB-CD1 4.4Å; L245-F342 HydrophobicContact CB-CE1 4.2Å; 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 4.49Å; I263-F342 HydrophobicContact CG2-CE2 3.77Å; L271-F342 HydrophobicContact CD1-CD1 4.03Å; L271-F342 HydrophobicContact CD1-CE1 3.61Å; I337-F342 HydrophobicContact CD1-CD1 3.93Å; I337-F342 HydrophobicContact CD1-CD2 4.14Å; I337-F342 HydrophobicContact CD1-CE1 3.42Å; I337-F342 VanDerWaalsContact CD1-CE1 3.42Å; I337-F342 HydrophobicContact CD1-CE2 3.65Å; I337-F342 HydrophobicContact CD1-CG 4.28Å; I337-F342 HydrophobicContact CD1-CZ 3.29Å; I337-F342 HydrophobicContact CG1-CD2 4.25Å; I337-F342 HydrophobicContact CG1-CE1 4.39Å; I337-F342 HydrophobicContact CG1-CE2 3.71Å; I337-F342 HydrophobicContact CG1-CZ 3.82Å; Q338-F342 WeakPolarHBondContact O-CD2 3.33Å; H340-F342 VanDerWaalsContact C-N 3.33Å
343	G	95	Very high	90.8	Very high	1 Å²	1	48 Å²	48	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147.4	160.9	0	0	0	0	0	110.3	Y243 V244 T320	Y243-G343 CarbonylContact C-O 3.58Å; Y243-G343 WeakPolarHBondContact CA-O 3.16Å; V244-G343 PolarHBondContact N-O 3.44Å; V244-G343 PolarHBondContact O-N 3.44Å; T320-G343 WeakPolarHBondContact OG1-CA 3.43Å
344	K	95.3	Very high	91	Very high	76 Å²	76	45.9 Å²	45.9	33%	0.33	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.1	-179.7	-67.4	170.8	-167.7	166.3	0	109.6	Y243 T320 K361	Y243-K344 HydrophobicContact CD1-CG 3.94Å; Y243-K344 HydrophobicContact CE1-CD 4.34Å; Y243-K344 HydrophobicContact CE1-CG 3.93Å; T320-K344 PolarHBondContact O-N 2.96Å; K344-K361 HydrophobicContact CB-CB 4.04Å; K344-K361 HydrophobicContact CB-CD 4.12Å; K344-K361 HydrophobicContact CB-CG 4.22Å; K344-K361 PolarHBondContact O-N 3.33Å
345	V	94.6	Very high	91.3	Very high	2 Å²	2	45 Å²	45	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137	-177.9	-70.3	0	0	0	0	108.9	D241 A242 V244 T320 E347 V348 L357	D241-V345 CarbonylContact C-O 3.56Å; D241-V345 WeakPolarHBondContact CA-O 3.42Å; A242-V345 HydrophobicContact CB-CG2 3.94Å; A242-V345 PolarHBondContact N-O 3.08Å; A242-V345 WeakPolarHBondContact O-CG2 3.36Å; A242-V345 PolarHBondContact O-N 2.89Å; V244-V345 HydrophobicContact CG2-CB 4.35Å; V244-V345 HydrophobicContact CG2-CG1 3.8Å; V244-V345 HydrophobicContact CG2-CG2 3.57Å; T320-V345 HydrophobicContact CG2-CG1 3.47Å; T320-V345 VanDerWaalsContact CG2-CG1 3.47Å; V345-E347 VanDerWaalsContact C-N 3.31Å; V345-V348 HydrophobicContact CB-CG2 4.08Å; V345-V348 HydrophobicContact CG2-CG2 3.25Å; V345-L357 HydrophobicContact CG1-CB 4.12Å; V345-L357 HydrophobicContact CG1-CD2 4.49Å
346	G	91.8	Very high	91.5	Very high	14 Å²	14	40.7 Å²	40.7	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-32.9	176.8	0	0	0	0	0	111.9	Q240 D241 L358 K359	Q240-G346 WeakPolarHBondContact CA-O 3.48Å; D241-G346 PolarHBondContact N-O 3.06Å; G346-L358 PolarHBondContact N-O 3.02Å; G346-L358 VanDerWaalsContact N-O 3.09Å; G346-K359 PolarHBondContact N-O 3.14Å
347	E	91.2	Very high	91.7	Very high	35 Å²	35	36.1 Å²	36.1	16%	0.164	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.6	178.5	-167.8	-179.4	149.2	0	0	112.2	K202 F239 V345 L358	K202-E347 WeakPolarHBondContact CE-OE1 3.48Å; K202-E347 IonicContact NZ-OE1 3.84Å; K202-E347 PolarHBondContact NZ-OE1 2.82Å; K202-E347 IonicContact NZ-OE2 3.68Å; K202-E347 PolarHBondContact NZ-OE2 2.68Å; F239-E347 CarbonylContact O-C 3.5Å; F239-E347 VanDerWaalsContact O-CA 3.3Å; F239-E347 WeakPolarHBondContact O-CA 3.29Å; F239-E347 WeakPolarHBondContact O-CG 3.43Å; V345-E347 VanDerWaalsContact C-N 3.31Å; E347-L358 HydrophobicContact CB-CB 4.24Å; E347-L358 PolarHBondContact N-O 3.27Å; E347-L358 VanDerWaalsContact N-O 3.09Å; E347-L358 PolarHBondContact O-N 2.99Å
348	V	93.6	Very high	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.5	175.4	179.1	0	0	0	0	110.3	E238 F239 A242 V272 V345 V350 T355 M356 L357	E238-V348 CarbonylContact C-O 3.49Å; E238-V348 WeakPolarHBondContact CA-O 3.39Å; F239-V348 PolarHBondContact N-O 3.03Å; F239-V348 PolarHBondContact O-N 3.45Å; A242-V348 HydrophobicContact CB-CG2 4.35Å; V272-V348 HydrophobicContact CG1-CG1 4.5Å; V272-V348 HydrophobicContact CG2-CB 4.2Å; V272-V348 HydrophobicContact CG2-CG1 4Å; V272-V348 HydrophobicContact CG2-CG2 4.03Å; V345-V348 HydrophobicContact CB-CG2 4.08Å; V345-V348 HydrophobicContact CG2-CG2 3.25Å; V348-V350 HydrophobicContact CG1-CG2 3.76Å; V348-T355 HydrophobicContact CG1-CG2 4.5Å; V348-M356 VanDerWaalsContact CA-O 3.32Å; V348-M356 WeakPolarHBondContact CA-O 3.4Å; V348-L357 HydrophobicContact CB-CD2 4.31Å; V348-L357 HydrophobicContact CG1-CD2 3.86Å; V348-L357 HydrophobicContact CG2-CD2 3.56Å
349	I	92.4	Very high	91.4	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.6	173.5	-55.7	171.4	0	0	0	107.7	K236 C237 E238 T355 M356 L358	K236-I349 HydrophobicContact CD-CG2 4.44Å; C237-I349 CarbonylContact O-C 3.5Å; C237-I349 WeakPolarHBondContact O-CA 3.49Å; E238-I349 HydrophobicContact CG-CG1 4.3Å; E238-I349 HydrophobicContact CG-CG2 4.35Å; I349-T355 CarbonylContact O-C 3.6Å; I349-T355 WeakPolarHBondContact O-CA 3.45Å; I349-M356 HydrophobicContact CB-CB 4.39Å; I349-M356 HydrophobicContact CB-CE 3.76Å; I349-M356 HydrophobicContact CD1-CE 4.09Å; I349-M356 HydrophobicContact CG2-CE 3.65Å; I349-M356 PolarHBondContact N-O 3.42Å; I349-M356 PolarHBondContact O-N 2.86Å; I349-L358 HydrophobicContact CD1-CD1 4.39Å
350	V	94.4	Very high	91.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.6	177.3	-173.9	0	0	0	0	109.2	Y223 K236 C237 V298 V300 V348 T355	Y223-V350 HydrophobicContact CD1-CG1 4.1Å; Y223-V350 HydrophobicContact CG-CG1 4.44Å; Y223-V350 VanDerWaalsContact N-CG1 3.32Å; K236-V350 CarbonylContact C-O 3.29Å; K236-V350 VanDerWaalsContact CA-O 3.27Å; K236-V350 WeakPolarHBondContact CA-O 3.33Å; C237-V350 HydrophobicContact CB-CB 4.25Å; C237-V350 PolarHBondContact N-O 3.22Å; C237-V350 PolarHBondContact O-N 3.27Å; V298-V350 HydrophobicContact CG1-CG2 3.97Å; V298-V350 HydrophobicContact CG2-CB 4.22Å; V298-V350 HydrophobicContact CG2-CG1 4.11Å; V298-V350 HydrophobicContact CG2-CG2 4.12Å; V300-V350 HydrophobicContact CG2-CG1 3.73Å; V300-V350 HydrophobicContact CG2-CG2 4.15Å; V348-V350 HydrophobicContact CG1-CG2 3.76Å; V350-T355 HydrophobicContact CG2-CG2 4.02Å
351	T	90.8	Very high	91.5	Very high	37 Å²	37	34 Å²	34	23%	0.227	17%	0.17	C	C	.	.			trans	-108.2	-170.1	174.1	67.9	0	0	0	0	109.8	G222 Y223 K236 D353 D354	G222-T351 CarbonylContact C-O 3.58Å; G222-T351 WeakPolarHBondContact CA-O 3.36Å; Y223-T351 VanDerWaalsContact CD1-C 3.49Å; Y223-T351 WeakPolarHBondContact CD1-O 3.49Å; Y223-T351 WeakPolarHBondContact CE1-O 3.39Å; Y223-T351 PolarHBondContact N-O 3.02Å; K236-T351 HydrophobicContact CB-CG2 4.26Å; T351-D353 VanDerWaalsContact C-N 3.31Å; T351-D353 PolarHBondContact OG1-N 3.28Å; T351-D354 PolarHBondContact N-O 2.77Å; T351-D354 WeakPolarHBondContact OG1-CB 3.23Å; T351-D354 PolarHBondContact OG1-N 3.29Å; T351-D354 PolarHBondContact OG1-O 2.96Å
352	K	88.1	Confident	91.3	Very high	117 Å²	117	33.7 Å²	33.7	51%	0.509	17%	0.172	S	C	.	.	S	Bend	trans	-64.3	-37	173.4	-177.2	-171.1	170	-162.4	0	112.4	G222 Y223	G222-K352 VanDerWaalsContact CA-O 3.29Å; G222-K352 WeakPolarHBondContact CA-O 3.31Å; Y223-K352 HydrophobicContact CE2-CB 4.42Å
353	D	85.7	Confident	91.2	Very high	100 Å²	100	39 Å²	39	54%	0.535	20%	0.197	S	C	.	.	S	Bend	trans	-112.9	-27.5	-169.1	-54.9	-59	0	0	0	112.3	D220 R221 G222 T351	D220-D353 CarbonylContact C-O 3.52Å; D220-D353 WeakPolarHBondContact CA-O 3.43Å; R221-D353 CarbonylContact C-O 3.45Å; R221-D353 VanDerWaalsContact C-O 3.29Å; R221-D353 VanDerWaalsContact CA-O 3.3Å; R221-D353 WeakPolarHBondContact CA-O 2.95Å; R221-D353 PolarHBondContact N-O 3.27Å; G222-D353 PolarHBondContact N-O 3.46Å; T351-D353 VanDerWaalsContact C-N 3.31Å; T351-D353 PolarHBondContact OG1-N 3.28Å
354	D	89.7	Confident	90.8	Very high	39 Å²	39	44.8 Å²	44.8	21%	0.209	22%	0.221	C	C	.	.			trans	-127.5	148.5	-172	-65.2	-45.7	0	0	0	113.9	K218 R221 T351	K218-D354 WeakPolarHBondContact CE-OD1 3.34Å; K218-D354 WeakPolarHBondContact CE-OD2 3.34Å; K218-D354 IonicContact NZ-OD1 3.53Å; K218-D354 PolarHBondContact NZ-OD1 3.16Å; K218-D354 IonicContact NZ-OD2 3.38Å; K218-D354 PolarHBondContact NZ-OD2 2.89Å; R221-D354 CarbonylContact O-C 2.97Å; T351-D354 PolarHBondContact N-O 2.77Å; T351-D354 WeakPolarHBondContact OG1-CB 3.23Å; T351-D354 PolarHBondContact OG1-N 3.29Å; T351-D354 PolarHBondContact OG1-O 2.96Å
355	T	92.9	Very high	90.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.7	166.2	-66.8	0	0	0	0	110.6	K218 F219 R221 V300 V348 I349 V350 L357	K218-T355 WeakPolarHBondContact CA-O 3.45Å; F219-T355 HydrophobicContact CD1-CG2 4.46Å; F219-T355 HydrophobicContact CE1-CG2 3.57Å; F219-T355 HydrophobicContact CE2-CG2 4.29Å; F219-T355 VanDerWaalsContact CZ-CB 3.47Å; F219-T355 HydrophobicContact CZ-CG2 3.47Å; F219-T355 VanDerWaalsContact CZ-CG2 3.47Å; F219-T355 PolarHBondContact N-O 2.72Å; F219-T355 PolarHBondContact O-N 3.22Å; R221-T355 VanDerWaalsContact O-CB 3.31Å; R221-T355 WeakPolarHBondContact O-CB 3.32Å; R221-T355 PolarHBondContact O-N 3.4Å; R221-T355 VanDerWaalsContact O-N 3.16Å; R221-T355 PolarHBondContact O-OG1 3.29Å; V300-T355 WeakPolarHBondContact CG1-OG1 3.48Å; V348-T355 HydrophobicContact CG1-CG2 4.5Å; I349-T355 CarbonylContact O-C 3.6Å; I349-T355 WeakPolarHBondContact O-CA 3.45Å; V350-T355 HydrophobicContact CG2-CG2 4.02Å; T355-L357 HydrophobicContact CG2-CD2 4.22Å
356	M	91	Very high	90.5	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.123	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123	177.9	-63.1	179.7	-70.7	0	0	109.8	V198 T200 M217 K218 V348 I349	V198-M356 HydrophobicContact CG1-SD 4.27Å; T200-M356 HydrophobicContact CG2-CE 4.06Å; T200-M356 HydrophobicContact CG2-SD 3.36Å; T200-M356 WeakPolarHBondContact CG2-SD 3.32Å; M217-M356 WeakPolarHBondContact O-CA 3.44Å; K218-M356 HydrophobicContact CB-CG 4.05Å; K218-M356 HydrophobicContact CD-CG 4.34Å; K218-M356 HydrophobicContact CG-CG 3.82Å; V348-M356 VanDerWaalsContact CA-O 3.32Å; V348-M356 WeakPolarHBondContact CA-O 3.4Å; I349-M356 HydrophobicContact CB-CB 4.39Å; I349-M356 HydrophobicContact CB-CE 3.76Å; I349-M356 HydrophobicContact CD1-CE 4.09Å; I349-M356 HydrophobicContact CG2-CE 3.65Å; I349-M356 PolarHBondContact N-O 3.42Å; I349-M356 PolarHBondContact O-N 2.86Å
357	L	91.9	Very high	90.4	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.9	174.1	-56.4	179	0	0	0	108.2	G216 M217 F219 I274 T320 V345 V348 T355	G216-L357 CarbonylContact C-O 3.49Å; G216-L357 WeakPolarHBondContact CA-O 3.45Å; M217-L357 HydrophobicContact CG-CB 3.91Å; M217-L357 HydrophobicContact CG-CD1 4.21Å; M217-L357 HydrophobicContact CG-CG 4.38Å; M217-L357 PolarHBondContact N-O 3.11Å; M217-L357 PolarHBondContact O-N 3.3Å; M217-L357 HydrophobicContact SD-CD1 4.17Å; F219-L357 HydrophobicContact CE1-CD1 4.32Å; F219-L357 HydrophobicContact CE1-CG 4.39Å; I274-L357 HydrophobicContact CD1-CD1 4.12Å; T320-L357 HydrophobicContact CG2-CD1 4.17Å; V345-L357 HydrophobicContact CG1-CB 4.12Å; V345-L357 HydrophobicContact CG1-CD2 4.49Å; V348-L357 HydrophobicContact CB-CD2 4.31Å; V348-L357 HydrophobicContact CG1-CD2 3.86Å; V348-L357 HydrophobicContact CG2-CD2 3.56Å; T355-L357 HydrophobicContact CG2-CD2 4.22Å
358	L	89.2	Confident	90.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.9	-174.4	-52.3	176.5	0	0	0	110.6	K202 G346 E347 I349 V401	K202-L358 VanDerWaalsContact NZ-CD1 3.27Å; G346-L358 PolarHBondContact N-O 3.02Å; G346-L358 VanDerWaalsContact N-O 3.09Å; E347-L358 HydrophobicContact CB-CB 4.24Å; E347-L358 PolarHBondContact N-O 3.27Å; E347-L358 VanDerWaalsContact N-O 3.09Å; E347-L358 PolarHBondContact O-N 2.99Å; I349-L358 HydrophobicContact CD1-CD1 4.39Å; L358-V401 HydrophobicContact CD2-CB 3.79Å; L358-V401 HydrophobicContact CD2-CG1 3.71Å; L358-V401 HydrophobicContact CD2-CG2 3.72Å
359	K	87.5	Confident	90.3	Very high	90 Å²	90	59.7 Å²	59.7	39%	0.391	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.4	52.6	-178.6	-57.4	-173.4	-179.7	-165.1	0	111.5	E212 I214 E215 G346	E212-K359 WeakPolarHBondContact OE1-CE 3.36Å; E212-K359 IonicContact OE1-NZ 2.67Å; E212-K359 PolarHBondContact OE1-NZ 3.09Å; I214-K359 VanDerWaalsContact CD1-CE 3.48Å; I214-K359 HydrophobicContact CG2-CB 4.33Å; I214-K359 HydrophobicContact CG2-CD 4.11Å; I214-K359 HydrophobicContact CG2-CG 3.23Å; E215-K359 WeakPolarHBondContact O-CA 3.46Å; E215-K359 PolarHBondContact O-N 3.36Å; G346-K359 PolarHBondContact N-O 3.14Å
360	G	89.6	Confident	90.3	Very high	19 Å²	19	59.7 Å²	59.7	20%	0.196	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	137.7	172	0	0	0	0	0	110.5	A319 G362	A319-G360 CarbonylContact O-C 3.59Å; A319-G360 WeakPolarHBondContact O-CA 3.33Å; G360-G362 VanDerWaalsContact C-N 3.28Å; G360-G362 PolarHBondContact O-N 3.45Å
361	K	90.5	Very high	90	Very high	122 Å²	122	61.2 Å²	61.2	53%	0.53	30%	0.304	S	S	.	.			trans	-96.3	31.9	179.5	-59	-170.9	178.4	174.2	0	112.3	D241 K344	D241-K361 IonicContact OD1-NZ 3.39Å; K344-K361 HydrophobicContact CB-CB 4.04Å; K344-K361 HydrophobicContact CB-CD 4.12Å; K344-K361 HydrophobicContact CB-CG 4.22Å; K344-K361 PolarHBondContact O-N 3.33Å
362	G	89	Confident	90	Very high	13 Å²	13	63.9 Å²	63.9	13%	0.134	31%	0.314	C	S	.	.			trans	-65.7	154.8	172	0	0	0	0	0	112.5	I318 A319 G360 K364	I318-G362 WeakPolarHBondContact O-CA 3.47Å; A319-G362 WeakPolarHBondContact O-CA 3.41Å; A319-G362 PolarHBondContact O-N 3.43Å; A319-G362 VanDerWaalsContact O-N 3.1Å; G360-G362 VanDerWaalsContact C-N 3.28Å; G360-G362 PolarHBondContact O-N 3.45Å; G362-K364 PolarHBondContact O-N 3.31Å
363	E	91.1	Very high	90.1	Very high	114 Å²	114	61.3 Å²	61.3	53%	0.533	30%	0.303	S	S	.	.			trans	-76	121.7	176.7	-172.5	178.5	-165.4	0	0	110	A365 Q366 I367	E363-A365 VanDerWaalsContact C-N 3.26Å; E363-A365 HydrophobicContact CG-CB 4.46Å; E363-A365 PolarHBondContact O-N 2.93Å; E363-Q366 HydrophobicContact CB-CB 4.39Å; E363-Q366 HydrophobicContact CB-CG 4.07Å; E363-Q366 HydrophobicContact CG-CG 4.42Å; E363-Q366 WeakPolarHBondContact O-CB 3.37Å; E363-Q366 PolarHBondContact O-N 2.99Å; E363-Q366 PolarHBondContact OE2-NE2 3.37Å; E363-I367 PolarHBondContact O-N 3.44Å; E363-I367 VanDerWaalsContact O-N 3.1Å
364	K	87.4	Confident	90.4	Very high	121 Å²	121	56.5 Å²	56.5	53%	0.526	28%	0.278	S	S	.	.	H	α-helix	trans	-53.8	-40.8	-175.8	-67.9	-166.2	170	-143.7	0	113.3	E215 G362 Q366 I367 E368	E215-K364 WeakPolarHBondContact OE1-CE 3.32Å; E215-K364 IonicContact OE1-NZ 3.88Å; E215-K364 PolarHBondContact OE1-NZ 3.27Å; G362-K364 PolarHBondContact O-N 3.31Å; K364-Q366 VanDerWaalsContact C-N 3.29Å; K364-Q366 PolarHBondContact O-N 3.02Å; K364-I367 PolarHBondContact O-N 3.49Å; K364-E368 WeakPolarHBondContact O-CG 3.31Å; K364-E368 PolarHBondContact O-N 3.3Å
365	A	91.6	Very high	90.2	Very high	59 Å²	59	57.3 Å²	57.3	49%	0.488	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-35.5	177.6	0	0	0	0	0	112.9	E363 K369	E363-A365 VanDerWaalsContact C-N 3.26Å; E363-A365 HydrophobicContact CG-CB 4.46Å; E363-A365 PolarHBondContact O-N 2.93Å; A365-K369 VanDerWaalsContact O-CB 3.31Å; A365-K369 WeakPolarHBondContact O-CB 3.08Å; A365-K369 PolarHBondContact O-N 2.92Å
366	Q	91.2	Very high	90.2	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-74.8	-36.1	177	-62.2	-171.3	10.8	0	0	111.8	I318 E363 K364 R370	I318-Q366 HydrophobicContact CG2-CB 3.96Å; E363-Q366 HydrophobicContact CB-CB 4.39Å; E363-Q366 HydrophobicContact CB-CG 4.07Å; E363-Q366 HydrophobicContact CG-CG 4.42Å; E363-Q366 WeakPolarHBondContact O-CB 3.37Å; E363-Q366 PolarHBondContact O-N 2.99Å; E363-Q366 PolarHBondContact OE2-NE2 3.37Å; K364-Q366 VanDerWaalsContact C-N 3.29Å; K364-Q366 PolarHBondContact O-N 3.02Å; Q366-R370 WeakPolarHBondContact O-CB 3.37Å; Q366-R370 PolarHBondContact O-N 3.49Å
367	I	89.9	Confident	90.1	Very high	23 Å²	23	64.9 Å²	64.9	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-48.6	174.7	-62.1	168.7	0	0	0	110.1	I318 E363 K364 K369 R370 I371	I318-I367 HydrophobicContact CG2-CG1 4.01Å; E363-I367 PolarHBondContact O-N 3.44Å; E363-I367 VanDerWaalsContact O-N 3.1Å; K364-I367 PolarHBondContact O-N 3.49Å; I367-K369 PolarHBondContact O-N 3.29Å; I367-R370 WeakPolarHBondContact O-CB 3.4Å; I367-R370 PolarHBondContact O-N 3.12Å; I367-R370 VanDerWaalsContact O-N 3.1Å; I367-I371 HydrophobicContact CG2-CD1 3.93Å; I367-I371 HydrophobicContact CG2-CG1 4.49Å; I367-I371 WeakPolarHBondContact O-CG1 3.32Å; I367-I371 PolarHBondContact O-N 3.34Å
368	E	88.4	Confident	89.8	Confident	129 Å²	129	66.1 Å²	66.1	60%	0.603	32%	0.323	S	S	*	.	H	α-helix	trans	-60.5	-43.8	177.1	-74.2	173	-173.4	0	0	111.8	K364 R370 I371 Q372	K364-E368 WeakPolarHBondContact O-CG 3.31Å; K364-E368 PolarHBondContact O-N 3.3Å; E368-R370 VanDerWaalsContact C-N 3.29Å; E368-R370 PolarHBondContact O-N 3.29Å; E368-I371 WeakPolarHBondContact O-CB 3.24Å; E368-I371 PolarHBondContact O-N 2.7Å; E368-Q372 PolarHBondContact O-N 2.88Å
369	K	93.3	Very high	89.7	Confident	137 Å²	137	73.7 Å²	73.7	60%	0.596	36%	0.359	S	S	*	.	H	α-helix	trans	-59	-43.1	173.6	-176.6	-178.9	174.9	-175.7	0	111.3	A365 I367 Q372 E373	A365-K369 VanDerWaalsContact O-CB 3.31Å; A365-K369 WeakPolarHBondContact O-CB 3.08Å; A365-K369 PolarHBondContact O-N 2.92Å; I367-K369 PolarHBondContact O-N 3.29Å; K369-Q372 PolarHBondContact O-N 3.42Å; K369-E373 WeakPolarHBondContact CE-OE1 3.38Å; K369-E373 WeakPolarHBondContact O-CG 3.32Å; K369-E373 PolarHBondContact O-N 2.97Å
370	R	92.3	Very high	89.8	Confident	11 Å²	11	75.1 Å²	75.1	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-66.5	-38.8	179	-174.4	55.5	171.1	175	0.1	112.4	N311 D315 I318 Q366 I367 E368 Q372 E373 I374 L397	N311-R370 PolarHBondContact OD1-NH2 3.4Å; D315-R370 IonicContact OD1-CZ 2.63Å; D315-R370 VanDerWaalsContact OD1-CZ 3.3Å; D315-R370 IonicContact OD1-NE 2.79Å; D315-R370 PolarHBondContact OD1-NE 3.21Å; D315-R370 IonicContact OD1-NH2 3.92Å; D315-R370 PolarHBondContact OD1-NH2 3.03Å; I318-R370 HydrophobicContact CD1-CB 4.16Å; I318-R370 HydrophobicContact CD1-CG 3.92Å; I318-R370 HydrophobicContact CG2-CB 4.46Å; Q366-R370 WeakPolarHBondContact O-CB 3.37Å; Q366-R370 PolarHBondContact O-N 3.49Å; I367-R370 WeakPolarHBondContact O-CB 3.4Å; I367-R370 PolarHBondContact O-N 3.12Å; I367-R370 VanDerWaalsContact O-N 3.1Å; E368-R370 VanDerWaalsContact C-N 3.29Å; E368-R370 PolarHBondContact O-N 3.29Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-E373 WeakPolarHBondContact CD-OE2 3.29Å; R370-E373 IonicContact CZ-OE2 2.76Å; R370-E373 IonicContact NH1-OE2 3.62Å; R370-E373 PolarHBondContact NH1-OE2 3.41Å; R370-E373 PolarHBondContact O-N 3.21Å; R370-I374 HydrophobicContact CG-CD1 4.39Å; R370-I374 WeakPolarHBondContact O-CG1 3.32Å; R370-I374 PolarHBondContact O-N 3.35Å; R370-I374 VanDerWaalsContact O-N 3.16Å; R370-L397 HydrophobicContact CG-CD1 3.96Å
371	I	88.8	Confident	89.8	Confident	32 Å²	32	75.2 Å²	75.2	16%	0.164	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-47.6	173.1	-73.4	168.4	0	0	0	109.8	I367 E368 E373 I374 I375 L394 L397	I367-I371 HydrophobicContact CG2-CD1 3.93Å; I367-I371 HydrophobicContact CG2-CG1 4.49Å; I367-I371 WeakPolarHBondContact O-CG1 3.32Å; I367-I371 PolarHBondContact O-N 3.34Å; E368-I371 WeakPolarHBondContact O-CB 3.24Å; E368-I371 PolarHBondContact O-N 2.7Å; I371-E373 PolarHBondContact O-N 2.92Å; I371-I374 PolarHBondContact O-N 3.01Å; I371-I374 VanDerWaalsContact O-N 3.12Å; I371-I375 HydrophobicContact CG2-CD1 3.82Å; I371-I375 WeakPolarHBondContact O-CG1 3.41Å; I371-I375 PolarHBondContact O-N 2.65Å; I371-L394 HydrophobicContact CG2-CD1 3.79Å; I371-L397 HydrophobicContact CD1-CB 4.35Å; I371-L397 HydrophobicContact CG1-CB 3.94Å
372	Q	90.6	Very high	89.5	Confident	94 Å²	94	75.7 Å²	75.7	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-42.5	178.9	-171.8	60.7	28.5	0	0	112.3	E368 K369 R370 I374 I375 E376	E368-Q372 PolarHBondContact O-N 2.88Å; K369-Q372 PolarHBondContact O-N 3.42Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; Q372-I374 VanDerWaalsContact C-N 3.28Å; Q372-I374 PolarHBondContact O-N 3.45Å; Q372-I375 PolarHBondContact O-N 2.97Å; Q372-E376 PolarHBondContact NE2-OE1 3.49Å; Q372-E376 WeakPolarHBondContact O-CG 3.3Å; Q372-E376 PolarHBondContact O-N 3.16Å
373	E	91.5	Very high	89.4	Confident	62 Å²	62	77.2 Å²	77.2	29%	0.29	39%	0.393	S	S	.	.	H	α-helix	trans	-57.6	-39.6	173.9	-72.9	171.5	-170.5	0	0	112.3	K369 R370 I371 Q377	K369-E373 WeakPolarHBondContact CE-OE1 3.38Å; K369-E373 WeakPolarHBondContact O-CG 3.32Å; K369-E373 PolarHBondContact O-N 2.97Å; R370-E373 WeakPolarHBondContact CD-OE2 3.29Å; R370-E373 IonicContact CZ-OE2 2.76Å; R370-E373 IonicContact NH1-OE2 3.62Å; R370-E373 PolarHBondContact NH1-OE2 3.41Å; R370-E373 PolarHBondContact O-N 3.21Å; I371-E373 PolarHBondContact O-N 2.92Å; E373-Q377 VanDerWaalsContact O-CG 3.24Å; E373-Q377 WeakPolarHBondContact O-CG 3.28Å; E373-Q377 PolarHBondContact O-N 3.48Å; E373-Q377 VanDerWaalsContact O-N 3.12Å
374	I	90.3	Very high	88.6	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-72.1	-37.8	179.2	-66.8	167.1	0	0	0	111.1	R370 I371 Q372 Q377 L378 L390 R393 L394 L397	R370-I374 HydrophobicContact CG-CD1 4.39Å; R370-I374 WeakPolarHBondContact O-CG1 3.32Å; R370-I374 PolarHBondContact O-N 3.35Å; R370-I374 VanDerWaalsContact O-N 3.16Å; I371-I374 PolarHBondContact O-N 3.01Å; I371-I374 VanDerWaalsContact O-N 3.12Å; Q372-I374 VanDerWaalsContact C-N 3.28Å; Q372-I374 PolarHBondContact O-N 3.45Å; I374-Q377 PolarHBondContact O-N 3.26Å; I374-L378 HydrophobicContact CG2-CD1 4.33Å; I374-L378 PolarHBondContact O-N 3.14Å; I374-L390 HydrophobicContact CG2-CB 4.22Å; I374-L390 HydrophobicContact CG2-CD2 4.14Å; I374-R393 HydrophobicContact CD1-CB 4.34Å; I374-L394 HydrophobicContact CG2-CB 4Å; I374-L394 HydrophobicContact CG2-CD1 4.28Å; I374-L397 HydrophobicContact CD1-CD1 3.59Å
375	I	87	Confident	88.1	Confident	56 Å²	56	79.3 Å²	79.3	29%	0.287	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-46.2	176	-68.1	168.3	0	0	0	110.3	I371 Q372 Q377 L378 E379 L394	I371-I375 HydrophobicContact CG2-CD1 3.82Å; I371-I375 WeakPolarHBondContact O-CG1 3.41Å; I371-I375 PolarHBondContact O-N 2.65Å; Q372-I375 PolarHBondContact O-N 2.97Å; I375-Q377 VanDerWaalsContact C-N 3.31Å; I375-Q377 PolarHBondContact O-N 2.77Å; I375-L378 VanDerWaalsContact O-CB 3.28Å; I375-L378 WeakPolarHBondContact O-CB 3.31Å; I375-L378 PolarHBondContact O-N 3.46Å; I375-L378 VanDerWaalsContact O-N 3.08Å; I375-E379 PolarHBondContact O-N 2.79Å; I375-E379 VanDerWaalsContact O-N 3.14Å; I375-L394 HydrophobicContact CD1-CD1 4.32Å; I375-L394 HydrophobicContact CG1-CD1 3.87Å; I375-L394 HydrophobicContact CG1-CD2 4.22Å
376	E	92	Very high	87.7	Confident	101 Å²	101	81.3 Å²	81.3	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-38.6	176.8	-71.1	171.5	-167.1	0	0	111.8	Q372 L378 E379 V380	Q372-E376 PolarHBondContact NE2-OE1 3.49Å; Q372-E376 WeakPolarHBondContact O-CG 3.3Å; Q372-E376 PolarHBondContact O-N 3.16Å; E376-L378 VanDerWaalsContact C-N 3.32Å; E376-L378 PolarHBondContact O-N 2.89Å; E376-E379 PolarHBondContact O-N 3.39Å; E376-V380 WeakPolarHBondContact O-CG2 3.1Å; E376-V380 PolarHBondContact O-N 3.41Å
377	Q	88.7	Confident	87.1	Confident	83 Å²	83	80.3 Å²	80.3	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-36.2	173.4	-73.7	172.2	8.6	0	0	112.6	E373 I374 I375 V380 T381 L390	E373-Q377 VanDerWaalsContact O-CG 3.24Å; E373-Q377 WeakPolarHBondContact O-CG 3.28Å; E373-Q377 PolarHBondContact O-N 3.48Å; E373-Q377 VanDerWaalsContact O-N 3.12Å; I374-Q377 PolarHBondContact O-N 3.26Å; I375-Q377 VanDerWaalsContact C-N 3.31Å; I375-Q377 PolarHBondContact O-N 2.77Å; Q377-V380 PolarHBondContact O-N 3.01Å; Q377-T381 WeakPolarHBondContact O-CB 3.45Å; Q377-T381 PolarHBondContact O-N 2.73Å; Q377-L390 HydrophobicContact CB-CD1 3.93Å; Q377-L390 HydrophobicContact CB-CD2 4.16Å
378	L	85.9	Confident	86.5	Confident	29 Å²	29	84.9 Å²	84.9	15%	0.152	42%	0.418	C	S	.	.	H	α-helix	trans	-64.8	-37.1	177.3	-100.2	157.2	0	0	0	112.6	I374 I375 E376 K387 L390 L394	I374-L378 HydrophobicContact CG2-CD1 4.33Å; I374-L378 PolarHBondContact O-N 3.14Å; I375-L378 VanDerWaalsContact O-CB 3.28Å; I375-L378 WeakPolarHBondContact O-CB 3.31Å; I375-L378 PolarHBondContact O-N 3.46Å; I375-L378 VanDerWaalsContact O-N 3.08Å; E376-L378 VanDerWaalsContact C-N 3.32Å; E376-L378 PolarHBondContact O-N 2.89Å; L378-K387 HydrophobicContact CD2-CB 4.17Å; L378-K387 HydrophobicContact CD2-CG 4.26Å; L378-L390 HydrophobicContact CD1-CB 3.97Å; L378-L390 HydrophobicContact CD2-CB 4.04Å; L378-L390 HydrophobicContact CG-CB 3.61Å; L378-L390 HydrophobicContact CG-CD1 4.09Å; L378-L390 HydrophobicContact CG-CG 4.5Å; L378-L394 HydrophobicContact CD1-CD2 3.98Å
379	E	86.5	Confident	86.3	Confident	159 Å²	159	81.2 Å²	81.2	74%	0.743	40%	0.4	S	S	*	.	H	α-helix	trans	-70.3	-35.1	178.8	-68.8	-175	169.6	0	0	112.6	I375 E376	I375-E379 PolarHBondContact O-N 2.79Å; I375-E379 VanDerWaalsContact O-N 3.14Å; E376-E379 PolarHBondContact O-N 3.39Å
380	V	91.1	Very high	86	Confident	120 Å²	120	75.4 Å²	75.4	73%	0.727	38%	0.375	S	S	*	.	H	α-helix	trans	-86	-29.2	-176.3	-179.2	0	0	0	0	112.1	E376 Q377	E376-V380 WeakPolarHBondContact O-CG2 3.1Å; E376-V380 PolarHBondContact O-N 3.41Å; Q377-V380 PolarHBondContact O-N 3.01Å
381	T	88.3	Confident	85.2	Confident	21 Å²	21	78.8 Å²	78.8	13%	0.129	39%	0.394	C	S	.	.			trans	-73.4	135.8	-175.7	-157.6	0	0	0	0	112.5	Q377 E386 K387 L390	Q377-T381 WeakPolarHBondContact O-CB 3.45Å; Q377-T381 PolarHBondContact O-N 2.73Å; T381-E386 HydrophobicContact CG2-CB 4.14Å; T381-E386 PolarHBondContact OG1-OE2 3.01Å; T381-K387 HydrophobicContact CG2-CB 4.43Å; 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 3.48Å; T381-L390 HydrophobicContact CG2-CD1 4.05Å
382	T	85.1	Confident	84.8	Confident	131 Å²	131	80 Å²	80	80%	0.804	40%	0.399	S	S	*	.			trans	-102	-8.2	177.7	54.7	0	0	0	0	112.8
383	S	86.7	Confident	84.6	Confident	45 Å²	45	75.9 Å²	75.9	32%	0.315	38%	0.38	S	S	.	.			trans	-86.7	119.9	-179.1	174.8	0	0	0	0	111.4	Y385 E386 K387	S383-Y385 PolarHBondContact O-N 3.38Å; S383-E386 PolarHBondContact O-N 3.17Å; S383-E386 VanDerWaalsContact O-N 3.12Å; S383-E386 PolarHBondContact OG-N 3.18Å; S383-K387 WeakPolarHBondContact O-CG 3.21Å; S383-K387 PolarHBondContact O-N 2.99Å
384	D	73.3	Confident	84.2	Confident	128 Å²	128	74.4 Å²	74.4	68%	0.684	37%	0.373	S	S	*	.	H	α-helix	trans	-60.9	-34.1	178.5	-66.6	-31.1	0	0	0	112.5	K387 E388	D384-K387 PolarHBondContact O-N 3.3Å; D384-E388 PolarHBondContact O-N 3.43Å
385	Y	78.5	Confident	83.6	Confident	152 Å²	152	76.4 Å²	76.4	60%	0.596	39%	0.39	S	S	*	.	H	α-helix	trans	-63.3	-43.6	174.4	174.3	-97.4	0	0	0	112	S383 E388 K389	S383-Y385 PolarHBondContact O-N 3.38Å; Y385-E388 PolarHBondContact O-N 2.88Å; Y385-K389 HydrophobicContact CE1-CG 4.37Å; Y385-K389 WeakPolarHBondContact O-CG 3.4Å; Y385-K389 PolarHBondContact O-N 3.22Å; Y385-K389 VanDerWaalsContact O-N 3.17Å
386	E	82.9	Confident	83.3	Confident	100 Å²	100	75.6 Å²	75.6	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-70.4	-38.5	177.6	-69.4	-175.1	-178.9	0	0	111.7	T381 S383 E388 K389 L390	T381-E386 HydrophobicContact CG2-CB 4.14Å; T381-E386 PolarHBondContact OG1-OE2 3.01Å; S383-E386 PolarHBondContact O-N 3.17Å; S383-E386 VanDerWaalsContact O-N 3.12Å; S383-E386 PolarHBondContact OG-N 3.18Å; E386-E388 VanDerWaalsContact C-N 3.3Å; E386-E388 PolarHBondContact O-N 3.13Å; E386-K389 PolarHBondContact O-N 3.03Å; E386-L390 WeakPolarHBondContact O-CB 3.3Å; E386-L390 VanDerWaalsContact O-CG 3.32Å; E386-L390 WeakPolarHBondContact O-CG 2.79Å; E386-L390 PolarHBondContact O-N 2.83Å
387	K	79.2	Confident	82.8	Confident	73 Å²	73	72 Å²	72	32%	0.317	37%	0.368	S	S	.	.	H	α-helix	trans	-57.1	-45.6	173	-70.6	-178.8	-177.5	169	0	111.3	L378 T381 S383 D384 K389 L390 N391	L378-K387 HydrophobicContact CD2-CB 4.17Å; L378-K387 HydrophobicContact CD2-CG 4.26Å; T381-K387 HydrophobicContact CG2-CB 4.43Å; 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 3.48Å; S383-K387 WeakPolarHBondContact O-CG 3.21Å; S383-K387 PolarHBondContact O-N 2.99Å; D384-K387 PolarHBondContact O-N 3.3Å; K387-K389 VanDerWaalsContact C-N 3.32Å; K387-K389 PolarHBondContact O-N 3.2Å; K387-L390 PolarHBondContact O-N 3.44Å; K387-N391 VanDerWaalsContact O-CB 3.31Å; K387-N391 WeakPolarHBondContact O-CB 3.3Å; K387-N391 VanDerWaalsContact O-CG 3.29Å; K387-N391 PolarHBondContact O-N 2.93Å; K387-N391 PolarHBondContact O-ND2 3.28Å
388	E	76.8	Confident	81.9	Confident	120 Å²	120	70.6 Å²	70.6	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-59.8	-44.3	177.7	-168.1	-176.6	172.8	0	0	111.2	D384 Y385 E386 N391 E392	D384-E388 PolarHBondContact O-N 3.43Å; Y385-E388 PolarHBondContact O-N 2.88Å; E386-E388 VanDerWaalsContact C-N 3.3Å; E386-E388 PolarHBondContact O-N 3.13Å; E388-N391 PolarHBondContact O-N 3.3Å; E388-E392 WeakPolarHBondContact O-CB 3.31Å; E388-E392 PolarHBondContact O-N 3.43Å
389	K	84	Confident	81	Confident	52 Å²	52	72.8 Å²	72.8	23%	0.226	38%	0.379	C	S	.	.	H	α-helix	trans	-70.7	-36.1	179.9	-66.3	-63	166.3	-144.9	0	114.2	Y385 E386 K387 E392 R393	Y385-K389 HydrophobicContact CE1-CG 4.37Å; Y385-K389 WeakPolarHBondContact O-CG 3.4Å; Y385-K389 PolarHBondContact O-N 3.22Å; Y385-K389 VanDerWaalsContact O-N 3.17Å; E386-K389 PolarHBondContact O-N 3.03Å; K387-K389 VanDerWaalsContact C-N 3.32Å; K387-K389 PolarHBondContact O-N 3.2Å; K389-E392 IonicContact NZ-OE2 2.67Å; K389-E392 PolarHBondContact NZ-OE2 3.35Å; K389-E392 PolarHBondContact O-N 2.99Å; K389-R393 VanDerWaalsContact O-CG 3.32Å; K389-R393 WeakPolarHBondContact O-CG 3.27Å; K389-R393 PolarHBondContact O-N 3.48Å; K389-R393 VanDerWaalsContact O-N 3.12Å
390	L	85.8	Confident	80.2	Confident	15 Å²	15	66 Å²	66	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-68.3	-41	173.4	-69	168.1	0	0	0	111.2	I374 Q377 L378 T381 E386 K387 E392 R393 L394	I374-L390 HydrophobicContact CG2-CB 4.22Å; I374-L390 HydrophobicContact CG2-CD2 4.14Å; Q377-L390 HydrophobicContact CB-CD1 3.93Å; Q377-L390 HydrophobicContact CB-CD2 4.16Å; L378-L390 HydrophobicContact CD1-CB 3.97Å; L378-L390 HydrophobicContact CD2-CB 4.04Å; L378-L390 HydrophobicContact CG-CB 3.61Å; L378-L390 HydrophobicContact CG-CD1 4.09Å; L378-L390 HydrophobicContact CG-CG 4.5Å; T381-L390 HydrophobicContact CG2-CD1 4.05Å; E386-L390 WeakPolarHBondContact O-CB 3.3Å; E386-L390 VanDerWaalsContact O-CG 3.32Å; E386-L390 WeakPolarHBondContact O-CG 2.79Å; E386-L390 PolarHBondContact O-N 2.83Å; K387-L390 PolarHBondContact O-N 3.44Å; L390-E392 VanDerWaalsContact C-N 3.33Å; L390-E392 PolarHBondContact O-N 3.03Å; L390-R393 PolarHBondContact O-N 3.44Å; L390-L394 VanDerWaalsContact O-CB 3.29Å; L390-L394 WeakPolarHBondContact O-CB 3.33Å; L390-L394 PolarHBondContact O-N 3.05Å
391	N	77.1	Confident	79.6	Confident	82 Å²	82	60.3 Å²	60.3	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-40	173.6	-78.5	-48.5	0	0	0	112	K387 E388 R393 L394 A395	K387-N391 VanDerWaalsContact O-CB 3.31Å; K387-N391 WeakPolarHBondContact O-CB 3.3Å; K387-N391 VanDerWaalsContact O-CG 3.29Å; K387-N391 PolarHBondContact O-N 2.93Å; K387-N391 PolarHBondContact O-ND2 3.28Å; E388-N391 PolarHBondContact O-N 3.3Å; N391-R393 VanDerWaalsContact C-N 3.34Å; N391-R393 PolarHBondContact O-N 3.36Å; N391-L394 PolarHBondContact O-N 3.39Å; N391-A395 WeakPolarHBondContact O-CB 3.23Å; N391-A395 PolarHBondContact O-N 3.09Å
392	E	79.9	Confident	79.4	Confident	56 Å²	56	59.3 Å²	59.3	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-43.6	175.6	-165.1	-164.1	138	0	0	111.6	E388 K389 L390 K396	E388-E392 WeakPolarHBondContact O-CB 3.31Å; E388-E392 PolarHBondContact O-N 3.43Å; K389-E392 IonicContact NZ-OE2 2.67Å; K389-E392 PolarHBondContact NZ-OE2 3.35Å; K389-E392 PolarHBondContact O-N 2.99Å; L390-E392 VanDerWaalsContact C-N 3.33Å; L390-E392 PolarHBondContact O-N 3.03Å; E392-K396 VanDerWaalsContact O-CG 3.3Å; E392-K396 WeakPolarHBondContact O-CG 3.43Å; E392-K396 PolarHBondContact O-N 3.04Å; E392-K396 IonicContact OE1-NZ 2.8Å; E392-K396 PolarHBondContact OE1-NZ 3.16Å
393	R	86.8	Confident	79.3	Confident	9 Å²	9	53.1 Å²	53.1	3%	0.034	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-42.4	177.4	-69.4	170.2	61.6	-140.9	-13.3	111.9	Q312 D315 I374 K389 L390 N391 K396 L397	Q312-R393 HydrophobicContact CG-CG 4.21Å; D315-R393 VanDerWaalsContact CG-NH2 3.33Å; D315-R393 IonicContact OD1-NH2 3.26Å; D315-R393 PolarHBondContact OD1-NH2 3.28Å; D315-R393 IonicContact OD2-CZ 3.16Å; D315-R393 VanDerWaalsContact OD2-CZ 3.24Å; D315-R393 IonicContact OD2-NE 3.96Å; D315-R393 PolarHBondContact OD2-NE 2.86Å; D315-R393 IonicContact OD2-NH2 2.97Å; D315-R393 PolarHBondContact OD2-NH2 2.84Å; I374-R393 HydrophobicContact CD1-CB 4.34Å; K389-R393 VanDerWaalsContact O-CG 3.32Å; K389-R393 WeakPolarHBondContact O-CG 3.27Å; K389-R393 PolarHBondContact O-N 3.48Å; K389-R393 VanDerWaalsContact O-N 3.12Å; L390-R393 PolarHBondContact O-N 3.44Å; N391-R393 VanDerWaalsContact C-N 3.34Å; N391-R393 PolarHBondContact O-N 3.36Å; R393-K396 PolarHBondContact O-N 2.85Å; R393-L397 PolarHBondContact O-N 2.72Å
394	L	82.5	Confident	79.4	Confident	31 Å²	31	51.3 Å²	51.3	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-48.1	177.6	-176	66.6	0	0	0	110.9	I371 I374 I375 L378 L390 N391 K396 L397 S398	I371-L394 HydrophobicContact CG2-CD1 3.79Å; I374-L394 HydrophobicContact CG2-CB 4Å; I374-L394 HydrophobicContact CG2-CD1 4.28Å; I375-L394 HydrophobicContact CD1-CD1 4.32Å; I375-L394 HydrophobicContact CG1-CD1 3.87Å; I375-L394 HydrophobicContact CG1-CD2 4.22Å; L378-L394 HydrophobicContact CD1-CD2 3.98Å; L390-L394 VanDerWaalsContact O-CB 3.29Å; L390-L394 WeakPolarHBondContact O-CB 3.33Å; L390-L394 PolarHBondContact O-N 3.05Å; N391-L394 PolarHBondContact O-N 3.39Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.48Å; L394-L397 PolarHBondContact O-N 3.07Å; L394-L397 VanDerWaalsContact O-N 3.16Å; L394-S398 WeakPolarHBondContact CD1-OG 3.44Å; L394-S398 WeakPolarHBondContact O-CB 3.43Å; L394-S398 PolarHBondContact O-N 3.38Å; L394-S398 PolarHBondContact O-OG 3.18Å
395	A	76.8	Confident	80	Confident	41 Å²	41	47.7 Å²	47.7	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-59.2	-42.3	177.7	0	0	0	0	0	111.6	N391 L397 S398 D399	N391-A395 WeakPolarHBondContact O-CB 3.23Å; N391-A395 PolarHBondContact O-N 3.09Å; A395-L397 VanDerWaalsContact C-N 3.25Å; A395-L397 PolarHBondContact O-N 3.38Å; A395-S398 PolarHBondContact O-N 3.37Å; A395-D399 WeakPolarHBondContact O-CB 3.4Å; A395-D399 PolarHBondContact O-N 3.1Å
396	K	81.4	Confident	80.5	Confident	40 Å²	40	40.6 Å²	40.6	17%	0.174	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-22.7	179	-72.1	170.2	179.8	178.5	0	114.3	K218 E392 R393 L394	K218-K396 WeakPolarHBondContact O-CD 3.44Å; K218-K396 WeakPolarHBondContact O-CE 3.24Å; E392-K396 VanDerWaalsContact O-CG 3.3Å; E392-K396 WeakPolarHBondContact O-CG 3.43Å; E392-K396 PolarHBondContact O-N 3.04Å; E392-K396 IonicContact OE1-NZ 2.8Å; E392-K396 PolarHBondContact OE1-NZ 3.16Å; R393-K396 PolarHBondContact O-N 2.85Å; L394-K396 VanDerWaalsContact C-N 3.31Å; L394-K396 PolarHBondContact O-N 3.48Å
397	L	80.6	Confident	80.8	Confident	24 Å²	24	35.9 Å²	35.9	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-98.7	-31.5	178	-70.2	174.8	0	0	0	112.9	D315 A319 R370 I371 I374 R393 L394 A395	D315-L397 HydrophobicContact CB-CD1 4.1Å; D315-L397 HydrophobicContact CB-CD2 4.21Å; D315-L397 HydrophobicContact CB-CG 4.45Å; A319-L397 HydrophobicContact CB-CD2 4.18Å; R370-L397 HydrophobicContact CG-CD1 3.96Å; I371-L397 HydrophobicContact CD1-CB 4.35Å; I371-L397 HydrophobicContact CG1-CB 3.94Å; I374-L397 HydrophobicContact CD1-CD1 3.59Å; R393-L397 PolarHBondContact O-N 2.72Å; L394-L397 PolarHBondContact O-N 3.07Å; L394-L397 VanDerWaalsContact O-N 3.16Å; A395-L397 VanDerWaalsContact C-N 3.25Å; A395-L397 PolarHBondContact O-N 3.38Å
398	S	70.9	Confident	81.3	Confident	55 Å²	55	33.2 Å²	33.2	39%	0.385	18%	0.182	S	C	.	.	H	α-helix	trans	-97.2	-40.9	-171.2	-46.5	0	0	0	0	112.5	L394 A395	L394-S398 WeakPolarHBondContact CD1-OG 3.44Å; L394-S398 WeakPolarHBondContact O-CB 3.43Å; L394-S398 PolarHBondContact O-N 3.38Å; L394-S398 PolarHBondContact O-OG 3.18Å; A395-S398 PolarHBondContact O-N 3.37Å
399	D	66.6	Low	81.8	Confident	75 Å²	75	32.8 Å²	32.8	40%	0.401	19%	0.188	S	C	.	.	S	Bend	trans	-93.2	107.4	-176.9	-62.2	-37.1	0	0	0	108.6	A395	A395-D399 WeakPolarHBondContact O-CB 3.4Å; A395-D399 PolarHBondContact O-N 3.1Å
400	G	70.1	Confident	81.9	Confident	16 Å²	16	33 Å²	33	17%	0.165	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.1	162.3	176.5	0	0	0	0	0	112.7	V193 I214	V193-G400 WeakPolarHBondContact CG1-O 3.29Å; I214-G400 CarbonylContact O-C 3.59Å; I214-G400 WeakPolarHBondContact O-CA 3.24Å
401	V	78.4	Confident	81.7	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.8	171.8	-177.4	0	0	0	0	109.2	V198 T200 I214 G216 L358 V403	V198-V401 HydrophobicContact CB-CG1 4.16Å; V198-V401 HydrophobicContact CB-CG2 4.12Å; V198-V401 HydrophobicContact CG1-CG1 3.88Å; V198-V401 HydrophobicContact CG1-CG2 4.31Å; V198-V401 WeakPolarHBondContact O-CA 3.31Å; T200-V401 HydrophobicContact CG2-CG1 3.88Å; I214-V401 PolarHBondContact N-O 3.37Å; I214-V401 PolarHBondContact O-N 3.35Å; G216-V401 VanDerWaalsContact C-CG2 3.47Å; L358-V401 HydrophobicContact CD2-CB 3.79Å; L358-V401 HydrophobicContact CD2-CG1 3.71Å; L358-V401 HydrophobicContact CD2-CG2 3.72Å; V401-V403 HydrophobicContact CG1-CG2 4.33Å
402	A	84.1	Confident	82.1	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.6	168.5	0	0	0	0	0	109.4	A189 V193 V198 I199 T200 L211	A189-A402 HydrophobicContact CB-CB 4.04Å; V193-A402 HydrophobicContact CG1-CB 3.57Å; V193-A402 HydrophobicContact CG2-CB 4.3Å; V198-A402 PolarHBondContact O-N 2.98Å; I199-A402 CarbonylContact C-O 3.38Å; I199-A402 WeakPolarHBondContact CA-O 3.07Å; I199-A402 HydrophobicContact CB-CB 4.44Å; I199-A402 HydrophobicContact CG1-CB 4.13Å; I199-A402 HydrophobicContact CG2-CB 4.19Å; T200-A402 PolarHBondContact N-O 3.48Å; T200-A402 PolarHBondContact OG1-O 3.13Å; L211-A402 HydrophobicContact CD1-CB 3.89Å
403	V	83.5	Confident	82.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.8	175.8	-175.2	0	0	0	0	108.4	T200 K202 E212 I214 V401 K405	T200-V403 WeakPolarHBondContact O-CA 3.47Å; T200-V403 WeakPolarHBondContact OG1-CG2 3.22Å; K202-V403 HydrophobicContact CB-CG1 4.29Å; K202-V403 HydrophobicContact CD-CG1 3.62Å; K202-V403 HydrophobicContact CG-CG1 3.9Å; E212-V403 PolarHBondContact N-O 2.91Å; E212-V403 PolarHBondContact O-N 3.22Å; I214-V403 HydrophobicContact CB-CG2 4.34Å; I214-V403 HydrophobicContact CD1-CB 3.79Å; I214-V403 HydrophobicContact CD1-CG1 4.43Å; I214-V403 HydrophobicContact CD1-CG2 3.26Å; I214-V403 HydrophobicContact CG1-CB 4.4Å; I214-V403 HydrophobicContact CG1-CG2 3.83Å; V401-V403 HydrophobicContact CG1-CG2 4.33Å; V403-K405 HydrophobicContact CG1-CG 4.47Å
404	L	88.1	Confident	82.4	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	110.2	174.8	-69.9	168.3	0	0	0	108.6	I185 I186 I199 T200 V201 K202 L211 V421	I185-L404 HydrophobicContact CG2-CD2 3.06Å; I185-L404 HydrophobicContact CG2-CG 4.49Å; I186-L404 HydrophobicContact CG1-CD1 4.23Å; I199-L404 HydrophobicContact CG2-CD1 3.47Å; I199-L404 VanDerWaalsContact CG2-CD1 3.47Å; I199-L404 HydrophobicContact CG2-CG 4.01Å; T200-L404 PolarHBondContact O-N 2.89Å; V201-L404 CarbonylContact C-O 3.53Å; V201-L404 WeakPolarHBondContact CA-O 3.26Å; V201-L404 HydrophobicContact CG2-CB 4.42Å; V201-L404 HydrophobicContact CG2-CD1 4.4Å; K202-L404 PolarHBondContact N-O 3.14Å; L211-L404 HydrophobicContact CB-CD2 4.4Å; L211-L404 HydrophobicContact CD1-CD2 3.85Å; L211-L404 HydrophobicContact CD1-CG 4.38Å; L404-V421 HydrophobicContact CD1-CG1 4.14Å
405	K	86.6	Confident	82.4	Confident	53 Å²	53	38.4 Å²	38.4	23%	0.23	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.3	173.6	-62.5	179	-169.3	160.6	0	108.4	K202 D209 E210 E212 V403	K202-K405 WeakPolarHBondContact O-CA 3.32Å; D209-K405 CarbonylContact C-O 3.59Å; D209-K405 VanDerWaalsContact CA-O 3.29Å; D209-K405 WeakPolarHBondContact CA-O 3.43Å; E210-K405 HydrophobicContact CB-CB 4.23Å; E210-K405 PolarHBondContact N-O 2.95Å; E210-K405 PolarHBondContact O-N 2.87Å; E210-K405 IonicContact OE2-NZ 3.62Å; E212-K405 WeakPolarHBondContact OE2-CE 3.39Å; E212-K405 IonicContact OE2-NZ 2.83Å; E212-K405 PolarHBondContact OE2-NZ 3.28Å; V403-K405 HydrophobicContact CG1-CG 4.47Å
406	V	88.9	Confident	82.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.7	-178.1	-177.8	0	0	0	0	109.1	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 2.98Å; G204-V406 VanDerWaalsContact CA-O 3.28Å; G204-V406 WeakPolarHBondContact CA-O 3.47Å; G204-V406 PolarHBondContact N-O 3.24Å; D209-V406 WeakPolarHBondContact OD1-CA 3.45Å; V406-K417 HydrophobicContact CG1-CB 3.7Å; V406-K417 HydrophobicContact CG1-CD 3.65Å; V406-K417 HydrophobicContact CG1-CG 3.57Å; V406-K418 HydrophobicContact CG2-CB 4.47Å; V406-V421 HydrophobicContact CG2-CB 4.3Å; V406-V421 HydrophobicContact CG2-CG1 4.44Å; V406-V421 HydrophobicContact CG2-CG2 4.01Å
407	G	89.2	Confident	83.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	21%	0.214	C	C	.	.			trans	-84.7	165.5	177.9	0	0	0	0	0	112.6	T206 L207 D209	T206-G407 WeakPolarHBondContact O-CA 3.37Å; L207-G407 CarbonylContact O-C 3.53Å; D209-G407 PolarHBondContact OD1-N 3.4Å
408	G	88.5	Confident	83.5	Confident	17 Å²	17	37.6 Å²	37.6	18%	0.175	22%	0.215	C	C	.	.			trans	172.7	169.6	174.8	0	0	0	0	0	113.1	T206 L207	T206-G408 PolarHBondContact O-N 3.29Å; L207-G408 PolarHBondContact O-N 2.88Å
409	T	88.1	Confident	84.2	Confident	111 Å²	111	36.7 Å²	36.7	68%	0.681	21%	0.206	S	C	*	.	S	Bend	trans	-87.4	-22.7	-176.3	64.7	0	0	0	0	113.2	L207 E413	L207-T409 HydrophobicContact CD2-CG2 3.86Å; T409-E413 WeakPolarHBondContact CB-OE2 3.35Å; T409-E413 PolarHBondContact N-OE2 2.97Å; T409-E413 PolarHBondContact OG1-OE2 2.81Å
410	S	86.4	Confident	85.2	Confident	56 Å²	56	35.8 Å²	35.8	39%	0.392	20%	0.197	S	C	.	.	S	Bend	trans	-143	154.6	-178.8	69.7	0	0	0	0	111.5	V412 E413 V414	S410-V412 PolarHBondContact O-N 3.18Å; S410-E413 PolarHBondContact O-N 3.26Å; S410-E413 WeakPolarHBondContact OG-CB 3.28Å; S410-E413 PolarHBondContact OG-N 3.49Å; S410-V414 WeakPolarHBondContact O-CG2 3.46Å; S410-V414 PolarHBondContact O-N 3.22Å
411	D	81.5	Confident	86.1	Confident	135 Å²	135	35.3 Å²	35.3	72%	0.722	19%	0.191	S	C	*	.	H	α-helix	trans	-57.4	-37.8	177.5	-67.7	-26.3	0	0	0	111.9	V414 N415	D411-V414 PolarHBondContact O-N 3.34Å; D411-N415 WeakPolarHBondContact O-CB 3.32Å; D411-N415 VanDerWaalsContact O-CG 3.25Å; D411-N415 PolarHBondContact O-N 3.24Å; D411-N415 PolarHBondContact O-ND2 2.91Å
412	V	85.1	Confident	86.5	Confident	48 Å²	48	37.5 Å²	37.5	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-64.2	-44.3	-179.6	-179	0	0	0	0	110.8	V73 S410 N415 E416	V73-V412 HydrophobicContact CB-CG1 4.01Å; V73-V412 HydrophobicContact CG2-CG1 3.8Å; S410-V412 PolarHBondContact O-N 3.18Å; V412-N415 PolarHBondContact O-N 2.95Å; V412-E416 PolarHBondContact O-N 3.22Å; V412-E416 VanDerWaalsContact O-N 3.1Å
413	E	86.3	Confident	86.6	Confident	83 Å²	83	38.9 Å²	38.9	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-48	176.3	-178.6	-176.3	-162.1	0	0	111.6	T409 S410 N415 E416 K417	T409-E413 WeakPolarHBondContact CB-OE2 3.35Å; T409-E413 PolarHBondContact N-OE2 2.97Å; T409-E413 PolarHBondContact OG1-OE2 2.81Å; S410-E413 PolarHBondContact O-N 3.26Å; S410-E413 WeakPolarHBondContact OG-CB 3.28Å; S410-E413 PolarHBondContact OG-N 3.49Å; E413-N415 VanDerWaalsContact C-N 3.29Å; E413-N415 PolarHBondContact O-N 2.95Å; E413-E416 PolarHBondContact O-N 2.67Å; E413-K417 WeakPolarHBondContact O-CB 3.4Å; E413-K417 PolarHBondContact O-N 3.44Å
414	V	87.5	Confident	86.9	Confident	13 Å²	13	38.8 Å²	38.8	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-41.2	178.6	174.4	0	0	0	0	111	D203 S410 D411 K418	D203-V414 HydrophobicContact CB-CG1 4.33Å; S410-V414 WeakPolarHBondContact O-CG2 3.46Å; S410-V414 PolarHBondContact O-N 3.22Å; D411-V414 PolarHBondContact O-N 3.34Å; V414-K418 WeakPolarHBondContact O-CB 3.4Å; V414-K418 PolarHBondContact O-N 3.09Å
415	N	82.3	Confident	86.9	Confident	29 Å²	29	38.7 Å²	38.7	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-41.9	178.4	-73.5	-65.8	0	0	0	112.1	K233 D411 V412 E413 K418 D419	K233-N415 VanDerWaalsContact NZ-CG 3.3Å; K233-N415 PolarHBondContact NZ-ND2 3.04Å; K233-N415 PolarHBondContact NZ-OD1 3.45Å; D411-N415 WeakPolarHBondContact O-CB 3.32Å; D411-N415 VanDerWaalsContact O-CG 3.25Å; D411-N415 PolarHBondContact O-N 3.24Å; D411-N415 PolarHBondContact O-ND2 2.91Å; V412-N415 PolarHBondContact O-N 2.95Å; E413-N415 VanDerWaalsContact C-N 3.29Å; E413-N415 PolarHBondContact O-N 2.95Å; N415-K418 PolarHBondContact O-N 3.38Å; N415-D419 PolarHBondContact O-N 2.82Å; N415-D419 VanDerWaalsContact O-N 3.07Å
416	E	87.8	Confident	86.9	Confident	27 Å²	27	38.1 Å²	38.1	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-44.8	177.2	-172.2	-79.9	153.7	0	0	111.4	V412 E413 K418 D419 R420	V412-E416 PolarHBondContact O-N 3.22Å; V412-E416 VanDerWaalsContact O-N 3.1Å; E413-E416 PolarHBondContact O-N 2.67Å; E416-K418 VanDerWaalsContact C-N 3.28Å; E416-K418 PolarHBondContact O-N 3.19Å; E416-D419 PolarHBondContact O-N 3.44Å; E416-R420 PolarHBondContact O-N 3.49Å; E416-R420 VanDerWaalsContact O-N 3.12Å; E416-R420 IonicContact OE1-CZ 2.81Å; E416-R420 IonicContact OE1-NE 2.97Å; E416-R420 PolarHBondContact OE1-NE 2.88Å; E416-R420 IonicContact OE1-NH2 2.88Å; E416-R420 PolarHBondContact OE1-NH2 2.78Å; E416-R420 IonicContact OE2-CZ 3.32Å; E416-R420 IonicContact OE2-NE 2.67Å; E416-R420 IonicContact OE2-NH2 3.44Å; E416-R420 PolarHBondContact OE2-NH2 3.32Å
417	K	88.8	Confident	87	Confident	28 Å²	28	38 Å²	38	12%	0.122	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-37.1	177.2	-167.2	175.9	-176.9	-169.7	0	111.3	I182 D209 V406 E413 R420 V421	I182-K417 HydrophobicContact CD1-CG 4.17Å; D209-K417 WeakPolarHBondContact OD1-CE 3.42Å; D209-K417 IonicContact OD1-NZ 2.65Å; D209-K417 PolarHBondContact OD1-NZ 3.35Å; D209-K417 WeakPolarHBondContact OD2-CE 3.48Å; D209-K417 IonicContact OD2-NZ 2.72Å; D209-K417 PolarHBondContact OD2-NZ 3.32Å; V406-K417 HydrophobicContact CG1-CB 3.7Å; V406-K417 HydrophobicContact CG1-CD 3.65Å; V406-K417 HydrophobicContact CG1-CG 3.57Å; E413-K417 WeakPolarHBondContact O-CB 3.4Å; E413-K417 PolarHBondContact O-N 3.44Å; K417-R420 WeakPolarHBondContact O-CB 3.5Å; K417-R420 PolarHBondContact O-N 3.49Å; K417-V421 VanDerWaalsContact O-CG2 3.26Å; K417-V421 WeakPolarHBondContact O-CG2 3.35Å; K417-V421 PolarHBondContact O-N 3.01Å
418	K	85.8	Confident	87.1	Confident	32 Å²	32	38 Å²	38	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-43.4	176	179.2	177.8	-171.3	171.5	0	113.4	V201 D203 V406 V414 N415 E416 R420 V421 T422	V201-K418 HydrophobicContact CG1-CG 3.89Å; D203-K418 VanDerWaalsContact OD1-CD 3.25Å; D203-K418 WeakPolarHBondContact OD1-CD 2.85Å; D203-K418 IonicContact OD1-NZ 2.78Å; D203-K418 PolarHBondContact OD1-NZ 2.79Å; D203-K418 IonicContact OD2-NZ 3.78Å; V406-K418 HydrophobicContact CG2-CB 4.47Å; V414-K418 WeakPolarHBondContact O-CB 3.4Å; V414-K418 PolarHBondContact O-N 3.09Å; N415-K418 PolarHBondContact O-N 3.38Å; E416-K418 VanDerWaalsContact C-N 3.28Å; E416-K418 PolarHBondContact O-N 3.19Å; K418-R420 VanDerWaalsContact C-N 3.26Å; K418-R420 PolarHBondContact O-N 3.46Å; K418-V421 PolarHBondContact O-N 2.72Å; K418-T422 WeakPolarHBondContact O-CB 3.38Å; K418-T422 PolarHBondContact O-N 3.19Å; K418-T422 PolarHBondContact O-OG1 2.83Å
419	D	84.4	Confident	87	Confident	36 Å²	36	40.5 Å²	40.5	19%	0.193	21%	0.213	C	C	.	.	H	α-helix	trans	-55.7	-49.2	174.2	-71.1	-12.7	0	0	0	108.3	K72 N415 E416 V421 T422 D423	K72-D419 WeakPolarHBondContact CE-OD2 3.42Å; K72-D419 IonicContact NZ-OD1 2.89Å; K72-D419 IonicContact NZ-OD2 2.72Å; K72-D419 PolarHBondContact NZ-OD2 2.97Å; N415-D419 PolarHBondContact O-N 2.82Å; N415-D419 VanDerWaalsContact O-N 3.07Å; E416-D419 PolarHBondContact O-N 3.44Å; D419-V421 PolarHBondContact O-N 3.35Å; D419-T422 WeakPolarHBondContact O-CB 3.26Å; D419-T422 PolarHBondContact O-N 2.71Å; D419-T422 VanDerWaalsContact O-N 3.12Å; D419-D423 VanDerWaalsContact O-CG 3.28Å; D419-D423 PolarHBondContact O-N 3.16Å
420	R	87.8	Confident	87	Confident	56 Å²	56	35.3 Å²	35.3	21%	0.211	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-44.2	177.3	-176.2	-166.5	-58.3	-176.4	9.7	114.6	A176 D179 I182 E416 K417 K418 T422 D423 A424	A176-R420 HydrophobicContact CB-CG 4.04Å; A176-R420 VanDerWaalsContact O-CD 3.32Å; A176-R420 WeakPolarHBondContact O-CD 3.38Å; D179-R420 IonicContact OD2-NH1 2.81Å; I182-R420 HydrophobicContact CD1-CG 4.33Å; E416-R420 PolarHBondContact O-N 3.49Å; E416-R420 VanDerWaalsContact O-N 3.12Å; E416-R420 IonicContact OE1-CZ 2.81Å; E416-R420 IonicContact OE1-NE 2.97Å; E416-R420 PolarHBondContact OE1-NE 2.88Å; E416-R420 IonicContact OE1-NH2 2.88Å; E416-R420 PolarHBondContact OE1-NH2 2.78Å; E416-R420 IonicContact OE2-CZ 3.32Å; E416-R420 IonicContact OE2-NE 2.67Å; E416-R420 IonicContact OE2-NH2 3.44Å; E416-R420 PolarHBondContact OE2-NH2 3.32Å; K417-R420 WeakPolarHBondContact O-CB 3.5Å; K417-R420 PolarHBondContact O-N 3.49Å; K418-R420 VanDerWaalsContact C-N 3.26Å; K418-R420 PolarHBondContact O-N 3.46Å; R420-T422 VanDerWaalsContact C-N 3.28Å; R420-T422 PolarHBondContact O-N 2.78Å; R420-D423 PolarHBondContact O-N 2.86Å; R420-A424 WeakPolarHBondContact O-CB 3.41Å; R420-A424 PolarHBondContact O-N 3.29Å
421	V	90	Very high	87.3	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-36.5	176.3	173.4	0	0	0	0	110.8	I182 V201 L404 V406 K417 K418 D419 L425	I182-V421 HydrophobicContact CD1-CG2 3.66Å; I182-V421 HydrophobicContact CG1-CG2 3.87Å; I182-V421 HydrophobicContact CG2-CB 4.48Å; I182-V421 HydrophobicContact CG2-CG2 3.87Å; V201-V421 HydrophobicContact CG1-CB 4.24Å; V201-V421 HydrophobicContact CG1-CG1 3.87Å; V201-V421 HydrophobicContact CG2-CG1 3.79Å; L404-V421 HydrophobicContact CD1-CG1 4.14Å; V406-V421 HydrophobicContact CG2-CB 4.3Å; V406-V421 HydrophobicContact CG2-CG1 4.44Å; V406-V421 HydrophobicContact CG2-CG2 4.01Å; K417-V421 VanDerWaalsContact O-CG2 3.26Å; K417-V421 WeakPolarHBondContact O-CG2 3.35Å; K417-V421 PolarHBondContact O-N 3.01Å; K418-V421 PolarHBondContact O-N 2.72Å; D419-V421 PolarHBondContact O-N 3.35Å; V421-L425 WeakPolarHBondContact O-CB 3.17Å; V421-L425 PolarHBondContact O-N 3.49Å
422	T	85.3	Confident	87.7	Confident	48 Å²	48	28 Å²	28	29%	0.294	14%	0.14	S	C	.	.	H	α-helix	trans	-67.3	-45.5	178.6	-55.5	0	0	0	0	110.9	K418 D419 R420 L425 N426	K418-T422 WeakPolarHBondContact O-CB 3.38Å; K418-T422 PolarHBondContact O-N 3.19Å; K418-T422 PolarHBondContact O-OG1 2.83Å; D419-T422 WeakPolarHBondContact O-CB 3.26Å; D419-T422 PolarHBondContact O-N 2.71Å; D419-T422 VanDerWaalsContact O-N 3.12Å; R420-T422 VanDerWaalsContact C-N 3.28Å; R420-T422 PolarHBondContact O-N 2.78Å; T422-L425 PolarHBondContact O-N 2.91Å; T422-N426 VanDerWaalsContact O-CG 3.31Å; T422-N426 PolarHBondContact O-N 3.13Å; T422-N426 PolarHBondContact O-ND2 3.38Å
423	D	86.5	Confident	87.8	Confident	28 Å²	28	31.5 Å²	31.5	15%	0.15	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-46.9	176.5	-63.1	-14.5	0	0	0	110.7	D419 R420 L425 N426 A427	D419-D423 VanDerWaalsContact O-CG 3.28Å; D419-D423 PolarHBondContact O-N 3.16Å; R420-D423 PolarHBondContact O-N 2.86Å; D423-L425 VanDerWaalsContact C-N 3.33Å; D423-L425 PolarHBondContact O-N 3.17Å; D423-N426 PolarHBondContact O-N 3.36Å; D423-A427 WeakPolarHBondContact O-CB 3.44Å; D423-A427 PolarHBondContact O-N 2.96Å
424	A	90.7	Very high	88	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-40.4	176.9	0	0	0	0	0	112.9	A172 A176 I182 I186 R420 T428	A172-A424 WeakPolarHBondContact O-CB 3.38Å; A176-A424 HydrophobicContact CB-CB 3.95Å; I182-A424 HydrophobicContact CG2-CB 4.28Å; I186-A424 HydrophobicContact CD1-CB 3.56Å; R420-A424 WeakPolarHBondContact O-CB 3.41Å; R420-A424 PolarHBondContact O-N 3.29Å; A424-T428 WeakPolarHBondContact O-CB 3.35Å; A424-T428 PolarHBondContact O-N 3.4Å; A424-T428 PolarHBondContact O-OG1 3.41Å
425	L	88.3	Confident	88.3	Confident	4 Å²	4	30 Å²	30	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-44.5	176.4	175.7	63.6	0	0	0	111.7	I186 I199 V201 V421 T422 D423 T428 R429	I186-L425 HydrophobicContact CG2-CD1 4.49Å; I199-L425 HydrophobicContact CB-CD1 3.74Å; I199-L425 HydrophobicContact CB-CD2 3.94Å; I199-L425 HydrophobicContact CD1-CD1 3.67Å; I199-L425 HydrophobicContact CG1-CD1 4.21Å; I199-L425 HydrophobicContact CG2-CD1 3.88Å; I199-L425 HydrophobicContact CG2-CD2 3.96Å; V201-L425 HydrophobicContact CG2-CD2 4.28Å; V421-L425 WeakPolarHBondContact O-CB 3.17Å; V421-L425 PolarHBondContact O-N 3.49Å; T422-L425 PolarHBondContact O-N 2.91Å; D423-L425 VanDerWaalsContact C-N 3.33Å; D423-L425 PolarHBondContact O-N 3.17Å; L425-T428 PolarHBondContact O-N 3.23Å; L425-R429 WeakPolarHBondContact O-CG 3.38Å; L425-R429 PolarHBondContact O-N 3.45Å; L425-R429 VanDerWaalsContact O-N 3.07Å
426	N	86.2	Confident	88.9	Confident	41 Å²	41	29 Å²	29	22%	0.219	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-44.6	-180	-67.5	-29.5	0	0	0	111.8	G110 T422 D423 T428 R429 A430	G110-N426 WeakPolarHBondContact O-CB 3.5Å; T422-N426 VanDerWaalsContact O-CG 3.31Å; T422-N426 PolarHBondContact O-N 3.13Å; T422-N426 PolarHBondContact O-ND2 3.38Å; D423-N426 PolarHBondContact O-N 3.36Å; N426-T428 VanDerWaalsContact C-N 3.28Å; N426-T428 PolarHBondContact O-N 3.19Å; N426-R429 WeakPolarHBondContact O-CB 3.47Å; N426-R429 PolarHBondContact O-N 2.81Å; N426-A430 WeakPolarHBondContact O-CB 3.33Å; N426-A430 PolarHBondContact O-N 3.05Å
427	A	90.1	Very high	89.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-42	175.1	0	0	0	0	0	111.7	D111 V171 S175 D423 R429 A430 A431 P521	D111-A427 HydrophobicContact CB-CB 4.14Å; V171-A427 HydrophobicContact CG1-CB 4.37Å; S175-A427 WeakPolarHBondContact OG-CB 3.31Å; D423-A427 WeakPolarHBondContact O-CB 3.44Å; D423-A427 PolarHBondContact O-N 2.96Å; A427-R429 PolarHBondContact O-N 3.19Å; A427-A430 WeakPolarHBondContact O-CB 3.19Å; A427-A430 PolarHBondContact O-N 3.29Å; A427-A431 WeakPolarHBondContact O-CB 3.41Å; A427-A431 PolarHBondContact O-N 3.13Å; A427-P521 HydrophobicContact CB-CG 3.96Å; A427-P521 WeakPolarHBondContact O-CG 3.21Å
428	T	90.8	Very high	89.6	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-41.1	177.7	-53.6	0	0	0	0	111.8	I168 A172 I186 M190 A424 L425 N426 A431 V432	I168-T428 HydrophobicContact CB-CG2 4.39Å; I168-T428 HydrophobicContact CG2-CG2 3.46Å; I168-T428 VanDerWaalsContact CG2-CG2 3.46Å; A172-T428 WeakPolarHBondContact CB-OG1 3.34Å; I186-T428 HydrophobicContact CG2-CG2 4.3Å; M190-T428 HydrophobicContact CE-CG2 3.78Å; M190-T428 HydrophobicContact SD-CG2 3.41Å; M190-T428 WeakPolarHBondContact SD-CG2 3.32Å; A424-T428 WeakPolarHBondContact O-CB 3.35Å; A424-T428 PolarHBondContact O-N 3.4Å; A424-T428 PolarHBondContact O-OG1 3.41Å; L425-T428 PolarHBondContact O-N 3.23Å; N426-T428 VanDerWaalsContact C-N 3.28Å; N426-T428 PolarHBondContact O-N 3.19Å; T428-A431 PolarHBondContact O-N 3.06Å; T428-V432 WeakPolarHBondContact O-CG2 3.47Å; T428-V432 PolarHBondContact O-N 3.43Å
429	R	86.9	Confident	89.9	Confident	68 Å²	68	26 Å²	26	26%	0.257	13%	0.13	S	C	.	.	H	α-helix	trans	-61.2	-46.2	172.8	-74.3	177.5	174.7	150.7	4.3	111.6	M190 I199 L425 N426 A427 A431 V432 E433	M190-R429 HydrophobicContact CE-CG 3.88Å; I199-R429 VanDerWaalsContact N-NH2 3.2Å; I199-R429 PolarHBondContact O-NH2 3.29Å; L425-R429 WeakPolarHBondContact O-CG 3.38Å; L425-R429 PolarHBondContact O-N 3.45Å; L425-R429 VanDerWaalsContact O-N 3.07Å; N426-R429 WeakPolarHBondContact O-CB 3.47Å; N426-R429 PolarHBondContact O-N 2.81Å; A427-R429 PolarHBondContact O-N 3.19Å; R429-A431 VanDerWaalsContact C-N 3.27Å; R429-A431 PolarHBondContact O-N 3.36Å; R429-V432 PolarHBondContact O-N 2.87Å; R429-E433 WeakPolarHBondContact O-CG 2.95Å; R429-E433 PolarHBondContact O-N 3.41Å; R429-E433 VanDerWaalsContact O-N 3.07Å
430	A	89.6	Confident	90.3	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-37.7	177.8	0	0	0	0	0	112.3	N426 A427 E433 E434 P521 K523 V524	N426-A430 WeakPolarHBondContact O-CB 3.33Å; N426-A430 PolarHBondContact O-N 3.05Å; A427-A430 WeakPolarHBondContact O-CB 3.19Å; A427-A430 PolarHBondContact O-N 3.29Å; A430-E433 PolarHBondContact O-N 3.39Å; A430-E434 PolarHBondContact O-N 3.44Å; A430-E434 VanDerWaalsContact O-N 3.11Å; A430-P521 HydrophobicContact CB-CB 3.94Å; A430-K523 HydrophobicContact CB-CB 4.1Å; A430-K523 HydrophobicContact CB-CD 4.12Å; A430-K523 HydrophobicContact CB-CG 4.34Å; A430-V524 HydrophobicContact CB-CG2 4.14Å
431	A	91.5	Very high	90.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-69.5	-37.6	177	0	0	0	0	0	112.7	V162 V171 A427 T428 R429 E433 G435 I436 P521	V162-A431 HydrophobicContact CG2-CB 4.12Å; V171-A431 HydrophobicContact CB-CB 4.43Å; V171-A431 HydrophobicContact CG1-CB 3.89Å; V171-A431 HydrophobicContact CG2-CB 3.93Å; A427-A431 WeakPolarHBondContact O-CB 3.41Å; A427-A431 PolarHBondContact O-N 3.13Å; T428-A431 PolarHBondContact O-N 3.06Å; R429-A431 VanDerWaalsContact C-N 3.27Å; R429-A431 PolarHBondContact O-N 3.36Å; A431-E433 VanDerWaalsContact C-N 3.3Å; A431-E433 PolarHBondContact O-N 3.16Å; A431-G435 WeakPolarHBondContact O-CA 3.25Å; A431-G435 PolarHBondContact O-N 3.41Å; A431-I436 HydrophobicContact CB-CG2 3.71Å; A431-P521 HydrophobicContact CB-CB 4.03Å; A431-P521 HydrophobicContact CB-CG 4.09Å
432	V	89.6	Confident	90.9	Very high	36 Å²	36	22.6 Å²	22.6	22%	0.218	12%	0.122	C	C	.	.	H	α-helix	trans	-66.8	-33	175.1	168.6	0	0	0	0	111.6	I168 M190 R195 T428 R429	I168-V432 HydrophobicContact CD1-CG2 4.33Å; I168-V432 HydrophobicContact CG1-CG2 4.41Å; M190-V432 HydrophobicContact CE-CG2 4.48Å; R195-V432 HydrophobicContact CB-CG1 3.99Å; R195-V432 HydrophobicContact CG-CG1 4.31Å; T428-V432 WeakPolarHBondContact O-CG2 3.47Å; T428-V432 PolarHBondContact O-N 3.43Å; R429-V432 PolarHBondContact O-N 2.87Å
433	E	87.3	Confident	91.4	Very high	121 Å²	121	20.4 Å²	20.4	57%	0.565	11%	0.108	S	C	*	.	H	α-helix	trans	-76.5	-48.5	-179.6	-73.2	174.8	-179.4	0	0	113.6	R429 A430 A431 K523	R429-E433 WeakPolarHBondContact O-CG 2.95Å; R429-E433 PolarHBondContact O-N 3.41Å; R429-E433 VanDerWaalsContact O-N 3.07Å; A430-E433 PolarHBondContact O-N 3.39Å; A431-E433 VanDerWaalsContact C-N 3.3Å; A431-E433 PolarHBondContact O-N 3.16Å; E433-K523 IonicContact OE2-NZ 2.71Å; E433-K523 PolarHBondContact OE2-NZ 3.36Å
434	E	90.8	Very high	91.9	Very high	61 Å²	61	19.3 Å²	19.3	29%	0.285	10%	0.102	S	C	.	.	H	α-helix	trans	-121.6	1.5	-169.6	-67.2	-168.2	-146.4	0	0	114.8	S159 A430 K523 R526	S159-E434 PolarHBondContact OG-O 3.12Å; A430-E434 PolarHBondContact O-N 3.44Å; A430-E434 VanDerWaalsContact O-N 3.11Å; E434-K523 HydrophobicContact CB-CB 4.04Å; E434-K523 HydrophobicContact CG-CB 4.1Å; E434-R526 IonicContact OE1-CZ 3.8Å; E434-R526 IonicContact OE1-NE 3.89Å; E434-R526 PolarHBondContact OE1-NE 2.94Å; E434-R526 IonicContact OE1-NH2 3.24Å; E434-R526 PolarHBondContact OE1-NH2 3.45Å; E434-R526 WeakPolarHBondContact OE2-CD 3.41Å; E434-R526 IonicContact OE2-CZ 3.67Å; E434-R526 IonicContact OE2-NE 2.71Å; E434-R526 PolarHBondContact OE2-NE 3.39Å; E434-R526 IonicContact OE2-NH2 2.63Å
435	G	94	Very high	92.2	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.031	10%	0.103	C	C	.	.			trans	83.3	-169.7	-177.5	0	0	0	0	0	113.7	K160 A431 T522	K160-G435 CarbonylContact O-C 3.36Å; K160-G435 WeakPolarHBondContact O-CA 3.34Å; A431-G435 WeakPolarHBondContact O-CA 3.25Å; A431-G435 PolarHBondContact O-N 3.41Å; G435-T522 PolarHBondContact O-N 3.12Å; G435-T522 PolarHBondContact O-OG1 3.45Å
436	I	94.8	Very high	92.6	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.041	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.1	-171.8	53.1	167.8	0	0	0	111.6	S159 K160 V162 V171 A431 I519 D520	S159-I436 WeakPolarHBondContact CA-O 3.35Å; K160-I436 HydrophobicContact CB-CG1 4.42Å; K160-I436 PolarHBondContact N-O 2.77Å; K160-I436 WeakPolarHBondContact O-CG1 3.47Å; K160-I436 PolarHBondContact O-N 2.89Å; V162-I436 HydrophobicContact CG2-CB 4.29Å; V162-I436 HydrophobicContact CG2-CD1 4.18Å; V162-I436 HydrophobicContact CG2-CG1 3.95Å; V162-I436 HydrophobicContact CG2-CG2 3.48Å; V162-I436 VanDerWaalsContact CG2-CG2 3.48Å; V171-I436 HydrophobicContact CG2-CG2 3.71Å; A431-I436 HydrophobicContact CB-CG2 3.71Å; I436-I519 HydrophobicContact CB-CB 4.35Å; I436-I519 HydrophobicContact CB-CD1 4.46Å; I436-I519 HydrophobicContact CD1-CB 4.35Å; I436-I519 HydrophobicContact CD1-CD1 3.53Å; I436-I519 HydrophobicContact CD1-CG2 4.24Å; I436-I519 HydrophobicContact CG2-CD1 4.25Å; I436-D520 WeakPolarHBondContact CA-O 3.49Å
437	V	95.3	Very high	93.1	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.7	174.8	-75.1	0	0	0	0	110.8	L158 G439 A443 I519 D520 T522 V525	L158-V437 HydrophobicContact CB-CG1 4.24Å; V437-G439 PolarHBondContact O-N 3.15Å; V437-A443 HydrophobicContact CB-CB 3.81Å; V437-A443 HydrophobicContact CG2-CB 3.66Å; V437-I519 WeakPolarHBondContact O-CA 3.32Å; V437-D520 WeakPolarHBondContact CG2-O 3.45Å; V437-D520 PolarHBondContact N-O 3.04Å; V437-D520 PolarHBondContact O-N 3.31Å; V437-T522 WeakPolarHBondContact CG1-OG1 3.34Å; V437-V525 HydrophobicContact CG2-CG2 4.03Å
438	P	95	Very high	93.3	Very high	23 Å²	23	19.9 Å²	19.9	15%	0.149	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	123.4	174	-25.7	35.6	0	0	0	112	C442 A443 M513 V514	P438-C442 HydrophobicContact CB-CB 4.16Å; P438-A443 WeakPolarHBondContact O-CB 3.31Å; P438-A443 PolarHBondContact O-N 2.59Å; P438-M513 HydrophobicContact CB-CB 4.04Å; P438-M513 HydrophobicContact CB-CG 4.41Å; P438-V514 HydrophobicContact CG-CG2 4.43Å
439	G	94.1	Very high	93.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-163.8	-171.8	0	0	0	0	0	114.6	V437 G441 C442 M513 I518 D520	V437-G439 PolarHBondContact O-N 3.15Å; G439-G441 PolarHBondContact O-N 2.95Å; G439-C442 VanDerWaalsContact O-CB 3.27Å; G439-C442 WeakPolarHBondContact O-CB 3.31Å; G439-C442 PolarHBondContact O-N 2.98Å; G439-C442 PolarHBondContact O-SG 2.96Å; G439-C442 VanDerWaalsContact O-SG 3.41Å; G439-M513 VanDerWaalsContact O-CE 3.29Å; G439-M513 WeakPolarHBondContact O-CE 3.24Å; G439-I518 PolarHBondContact N-O 2.85Å; G439-D520 VanDerWaalsContact CA-CG 3.47Å; G439-D520 WeakPolarHBondContact CA-OD2 3.39Å
440	G	92.7	Very high	93.9	Very high	18 Å²	18	21.6 Å²	21.6	19%	0.186	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	23.5	175.2	0	0	0	0	0	114	C442 D520	G440-C442 PolarHBondContact O-N 3.41Å; G440-D520 PolarHBondContact N-OD2 3Å
441	G	94.6	Very high	94.2	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	1.3	-174	0	0	0	0	0	114.7	G439 A443 L444 L445	G439-G441 PolarHBondContact O-N 2.95Å; G441-A443 PolarHBondContact O-N 3.44Å; G441-L444 PolarHBondContact O-N 3.3Å; G441-L445 PolarHBondContact O-N 3.32Å
442	C	95.6	Very high	94.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-41.5	-179.9	-66	0	0	0	0	111.8	P438 G439 G440 L444 L445 R446 G502	P438-C442 HydrophobicContact CB-CB 4.16Å; G439-C442 VanDerWaalsContact O-CB 3.27Å; G439-C442 WeakPolarHBondContact O-CB 3.31Å; G439-C442 PolarHBondContact O-N 2.98Å; G439-C442 PolarHBondContact O-SG 2.96Å; G439-C442 VanDerWaalsContact O-SG 3.41Å; G440-C442 PolarHBondContact O-N 3.41Å; C442-L444 VanDerWaalsContact C-N 3.3Å; C442-L444 PolarHBondContact O-N 2.86Å; C442-L445 WeakPolarHBondContact O-CB 3.43Å; C442-L445 PolarHBondContact O-N 2.95Å; C442-R446 WeakPolarHBondContact O-CG 3.27Å; C442-R446 PolarHBondContact O-N 2.67Å; C442-G502 VanDerWaalsContact SG-CA 3.59Å
443	A	96.2	Very high	94.5	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-50.9	-47.8	177.5	0	0	0	0	0	112.7	L155 V437 P438 G441 L445 R446 C447	L155-A443 HydrophobicContact CD2-CB 3.81Å; V437-A443 HydrophobicContact CB-CB 3.81Å; V437-A443 HydrophobicContact CG2-CB 3.66Å; P438-A443 WeakPolarHBondContact O-CB 3.31Å; P438-A443 PolarHBondContact O-N 2.59Å; G441-A443 PolarHBondContact O-N 3.44Å; A443-L445 PolarHBondContact O-N 2.71Å; A443-R446 PolarHBondContact O-N 3.06Å; A443-C447 PolarHBondContact O-N 3.47Å; A443-C447 PolarHBondContact O-SG 3.04Å
444	L	96.9	Very high	94.9	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-38.5	179	-65.9	174	0	0	0	112.3	L119 V151 L155 G441 C442 R446 C447 L472 P475 V525 L529	L119-L444 HydrophobicContact CD1-CD1 4.42Å; V151-L444 HydrophobicContact CG1-CD2 4.42Å; L155-L444 HydrophobicContact CD1-CD2 4.26Å; G441-L444 PolarHBondContact O-N 3.3Å; C442-L444 VanDerWaalsContact C-N 3.3Å; C442-L444 PolarHBondContact O-N 2.86Å; L444-R446 VanDerWaalsContact C-N 3.33Å; L444-R446 PolarHBondContact O-N 3.09Å; L444-C447 PolarHBondContact O-N 3.16Å; L444-L472 HydrophobicContact CB-CB 4.32Å; L444-L472 HydrophobicContact CB-CD2 3.99Å; L444-L472 HydrophobicContact CD2-CD2 3.77Å; L444-L472 HydrophobicContact CG-CD2 4.34Å; L444-P475 HydrophobicContact CD1-CG 3.84Å; L444-V525 HydrophobicContact CD1-CG1 4.43Å; L444-V525 HydrophobicContact CD2-CG1 3.67Å; L444-V525 HydrophobicContact CG-CG1 3.88Å; L444-L529 HydrophobicContact CD2-CD2 4.23Å
445	L	96.8	Very high	95.1	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-40	175.1	-66.9	177.5	0	0	0	112	G441 C442 A443 C447 I448 K473 A476 V491 I494 M495	G441-L445 PolarHBondContact O-N 3.32Å; C442-L445 WeakPolarHBondContact O-CB 3.43Å; C442-L445 PolarHBondContact O-N 2.95Å; A443-L445 PolarHBondContact O-N 2.71Å; L445-C447 PolarHBondContact O-N 2.67Å; L445-I448 HydrophobicContact CD2-CD1 3.9Å; L445-I448 WeakPolarHBondContact O-CB 3.35Å; L445-I448 WeakPolarHBondContact O-CG1 3.45Å; L445-I448 PolarHBondContact O-N 3.2Å; L445-K473 HydrophobicContact CD2-CB 4.1Å; L445-K473 HydrophobicContact CD2-CG 3.74Å; L445-A476 HydrophobicContact CD1-CB 3.99Å; L445-V491 HydrophobicContact CD1-CG1 4.08Å; L445-V491 HydrophobicContact CD1-CG2 4.38Å; L445-V491 HydrophobicContact CD2-CG1 3.69Å; L445-I494 HydrophobicContact CD1-CB 4.15Å; L445-I494 HydrophobicContact CD1-CD1 4.16Å; L445-I494 HydrophobicContact CD1-CG2 3.83Å; L445-M495 HydrophobicContact CD2-SD 4.5Å
446	R	95.4	Very high	95.2	Very high	46 Å²	46	30.3 Å²	30.3	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-19.6	178.9	-61.8	-53.3	176.7	-156.3	-6.2	113	L158 C442 A443 L444 P449 I494 S497 P498 S499 V501	L158-R446 HydrophobicContact CD1-CB 4.04Å; C442-R446 WeakPolarHBondContact O-CG 3.27Å; C442-R446 PolarHBondContact O-N 2.67Å; A443-R446 PolarHBondContact O-N 3.06Å; L444-R446 VanDerWaalsContact C-N 3.33Å; L444-R446 PolarHBondContact O-N 3.09Å; R446-P449 WeakPolarHBondContact O-CD 3.38Å; R446-I494 PolarHBondContact NH1-O 3.47Å; R446-I494 PolarHBondContact NH2-O 3.2Å; R446-S497 PolarHBondContact NH1-O 3.02Å; R446-S497 PolarHBondContact NH2-O 2.7Å; R446-P498 PolarHBondContact NH2-O 3.12Å; R446-S499 PolarHBondContact NE-O 3.27Å; R446-V501 PolarHBondContact NH2-O 3.48Å
447	C	96.3	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.6	174.6	-62.4	0	0	0	0	114.2	V151 E154 A443 L444 L445 P449 A450	V151-C447 HydrophobicContact CB-CB 4.39Å; V151-C447 HydrophobicContact CG1-CB 3.79Å; V151-C447 HydrophobicContact CG2-CB 4.27Å; E154-C447 HydrophobicContact CB-CB 4.45Å; A443-C447 PolarHBondContact O-N 3.47Å; A443-C447 PolarHBondContact O-SG 3.04Å; L444-C447 PolarHBondContact O-N 3.16Å; L445-C447 PolarHBondContact O-N 2.67Å; C447-P449 VanDerWaalsContact C-CD 3.5Å; C447-A450 VanDerWaalsContact O-CB 3.32Å; C447-A450 WeakPolarHBondContact O-CB 3.32Å; C447-A450 PolarHBondContact O-N 3.2Å; C447-A450 VanDerWaalsContact O-N 3.09Å
448	I	96	Very high	95.3	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.041	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-54.6	-45	-179.5	-70.3	170.1	0	0	0	112.9	L445 A450 L451 R469 L472 K473 M495	L445-I448 HydrophobicContact CD2-CD1 3.9Å; L445-I448 WeakPolarHBondContact O-CB 3.35Å; L445-I448 WeakPolarHBondContact O-CG1 3.45Å; L445-I448 PolarHBondContact O-N 3.2Å; I448-A450 PolarHBondContact O-N 3Å; I448-L451 VanDerWaalsContact O-CB 3.31Å; I448-L451 WeakPolarHBondContact O-CB 3.44Å; I448-L451 PolarHBondContact O-N 2.86Å; I448-R469 HydrophobicContact CG2-CG 4.08Å; I448-L472 HydrophobicContact CD1-CB 4.34Å; I448-L472 HydrophobicContact CG1-CB 4.03Å; I448-L472 HydrophobicContact CG1-CD1 3.79Å; I448-K473 HydrophobicContact CD1-CG 4.04Å; I448-M495 HydrophobicContact CD1-CE 3.96Å; I448-M495 HydrophobicContact CD1-SD 4.27Å; I448-M495 HydrophobicContact CG2-CE 4.42Å
449	P	95.4	Very high	95.3	Very high	80 Å²	80	41.4 Å²	41.4	52%	0.519	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.9	179.4	-24.7	36.1	0	0	0	114	R446 C447 L451 D452	R446-P449 WeakPolarHBondContact O-CD 3.38Å; C447-P449 VanDerWaalsContact C-CD 3.5Å; P449-L451 PolarHBondContact O-N 3.16Å; P449-D452 WeakPolarHBondContact O-CB 3.29Å; P449-D452 PolarHBondContact O-N 3.35Å
450	A	95	Very high	95.4	Very high	25 Å²	25	43.3 Å²	43.3	21%	0.207	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-63.5	-24	177.1	0	0	0	0	0	112.3	E154 C447 I448 D452 A453	E154-A450 HydrophobicContact CB-CB 4.06Å; E154-A450 HydrophobicContact CG-CB 4.03Å; C447-A450 VanDerWaalsContact O-CB 3.32Å; C447-A450 WeakPolarHBondContact O-CB 3.32Å; C447-A450 PolarHBondContact O-N 3.2Å; C447-A450 VanDerWaalsContact O-N 3.09Å; I448-A450 PolarHBondContact O-N 3Å; A450-D452 VanDerWaalsContact C-N 3.27Å; A450-D452 PolarHBondContact O-N 3.25Å; A450-A453 PolarHBondContact O-N 3.38Å
451	L	95.5	Very high	95.6	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-72	-19.6	175.7	-57.9	179.8	0	0	0	112.9	A147 V151 I448 P449 A453 L454 I465 I468 R469 L472	A147-L451 HydrophobicContact CB-CD2 3.7Å; V151-L451 HydrophobicContact CG2-CD2 3.83Å; V151-L451 HydrophobicContact CG2-CG 4.36Å; I448-L451 VanDerWaalsContact O-CB 3.31Å; I448-L451 WeakPolarHBondContact O-CB 3.44Å; I448-L451 PolarHBondContact O-N 2.86Å; P449-L451 PolarHBondContact O-N 3.16Å; L451-A453 VanDerWaalsContact C-N 3.26Å; L451-A453 PolarHBondContact O-N 3.01Å; L451-L454 HydrophobicContact CD2-CD1 3.82Å; L451-L454 PolarHBondContact O-N 2.95Å; L451-I465 HydrophobicContact CB-CG2 4.17Å; L451-I468 HydrophobicContact CD1-CG2 4.15Å; L451-R469 HydrophobicContact CD1-CB 3.82Å; L451-R469 HydrophobicContact CD1-CG 4.39Å; L451-L472 HydrophobicContact CD1-CD1 4.02Å
452	D	94	Very high	95.7	Very high	110 Å²	110	48.4 Å²	48.4	59%	0.588	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-71.6	-23.3	178.4	-62.2	-31.5	0	0	0	112.4	P449 A450 L454 R469	P449-D452 WeakPolarHBondContact O-CB 3.29Å; P449-D452 PolarHBondContact O-N 3.35Å; A450-D452 VanDerWaalsContact C-N 3.27Å; A450-D452 PolarHBondContact O-N 3.25Å; D452-L454 VanDerWaalsContact C-N 3.3Å; D452-R469 IonicContact OD1-CZ 2.78Å; D452-R469 IonicContact OD1-NH1 3.73Å; D452-R469 PolarHBondContact OD1-NH1 3.03Å; D452-R469 IonicContact OD1-NH2 4Å; D452-R469 PolarHBondContact OD1-NH2 2.82Å; D452-R469 IonicContact OD2-NH1 2.75Å
453	A	93.5	Very high	95.7	Very high	86 Å²	86	50.5 Å²	50.5	71%	0.711	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-81	-9.2	177.4	0	0	0	0	0	113.3	A450 L451	A450-A453 PolarHBondContact O-N 3.38Å; L451-A453 VanDerWaalsContact C-N 3.26Å; L451-A453 PolarHBondContact O-N 3.01Å
454	L	95.1	Very high	95.7	Very high	39 Å²	39	50.4 Å²	50.4	20%	0.204	29%	0.294	C	S	.	.			trans	-78.8	132.6	-177.7	-65.3	178.5	0	0	0	111.4	L146 A147 A150 L451 D452 P456 I465	L146-L454 HydrophobicContact CG-CD1 4.48Å; L146-L454 HydrophobicContact CG-CD2 4.37Å; A147-L454 HydrophobicContact CB-CD1 4.3Å; A150-L454 HydrophobicContact CB-CD1 3.92Å; A150-L454 HydrophobicContact CB-CD2 3.94Å; A150-L454 HydrophobicContact CB-CG 4.27Å; L451-L454 HydrophobicContact CD2-CD1 3.82Å; L451-L454 PolarHBondContact O-N 2.95Å; D452-L454 VanDerWaalsContact C-N 3.3Å; L454-P456 WeakPolarHBondContact O-CD 3.45Å; L454-I465 HydrophobicContact CB-CD1 4Å; L454-I465 HydrophobicContact CD1-CD1 4.32Å; L454-I465 HydrophobicContact CD1-CG1 4.36Å; L454-I465 HydrophobicContact CD1-CG2 4.37Å
455	T	94.9	Very high	95.7	Very high	129 Å²	129	50.7 Å²	50.7	79%	0.791	30%	0.295	S	S	*	.			trans	-103.3	105.4	173.5	-54.7	0	0	0	0	109.2
456	P	95.9	Very high	95.7	Very high	41 Å²	41	53.7 Å²	53.7	27%	0.266	31%	0.309	S	S	.	.			trans	-70.8	144.2	177.4	28.6	-33	0	0	0	110.8	L454 N458 Q461 K462 I465	L454-P456 WeakPolarHBondContact O-CD 3.45Å; P456-N458 VanDerWaalsContact C-N 3.33Å; P456-Q461 HydrophobicContact CB-CB 4Å; P456-K462 HydrophobicContact CB-CB 3.94Å; P456-K462 HydrophobicContact CG-CB 3.78Å; P456-K462 HydrophobicContact CG-CG 4.16Å; P456-I465 HydrophobicContact CB-CD1 3.96Å; P456-I465 HydrophobicContact CG-CD1 4.45Å
457	A	96.1	Very high	95.8	Very high	84 Å²	84	51.6 Å²	51.6	69%	0.694	30%	0.302	S	S	*	.	S	Bend	trans	-75.3	-23.7	178	0	0	0	0	0	113.1
458	N	95.9	Very high	95.8	Very high	55 Å²	55	51.6 Å²	51.6	29%	0.294	30%	0.302	S	S	.	.	S	Bend	trans	-155.1	172.6	179.8	58.4	52.1	0	0	0	111	E139 P456 D460 Q461 K462	E139-N458 PolarHBondContact OE2-ND2 3.2Å; P456-N458 VanDerWaalsContact C-N 3.33Å; N458-D460 VanDerWaalsContact C-N 3.32Å; N458-D460 PolarHBondContact O-N 3.44Å; N458-D460 PolarHBondContact OD1-N 3.48Å; N458-Q461 PolarHBondContact O-N 3.44Å; N458-Q461 WeakPolarHBondContact OD1-CG 3.42Å; N458-Q461 PolarHBondContact OD1-N 3.2Å; N458-K462 PolarHBondContact O-N 2.96Å
459	E	95.4	Very high	95.9	Very high	127 Å²	127	53.7 Å²	53.7	59%	0.593	31%	0.309	S	S	*	.	H	α-helix	trans	-64.2	-32.5	-178.7	-69.4	-60.3	129.7	0	0	113.2	K462 I463	E459-K462 WeakPolarHBondContact O-CB 3.33Å; E459-K462 PolarHBondContact O-N 3.03Å; E459-K462 IonicContact OE1-NZ 3.29Å; E459-K462 IonicContact OE2-NZ 2.72Å; E459-I463 WeakPolarHBondContact O-CG1 3.38Å; E459-I463 PolarHBondContact O-N 2.79Å
460	D	95.6	Very high	95.9	Very high	40 Å²	40	54.8 Å²	54.8	21%	0.214	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-38.1	178.1	-70.9	-45.9	0	0	0	112	A135 N136 E139 I140 N458 K462 I463 G464	A135-D460 WeakPolarHBondContact CA-OD1 3.49Å; A135-D460 WeakPolarHBondContact CB-OD1 3.3Å; N136-D460 HydrophobicContact CB-CB 4.47Å; N136-D460 WeakPolarHBondContact CB-OD2 3.44Å; N136-D460 PolarHBondContact N-OD1 3.45Å; N136-D460 VanDerWaalsContact N-OD1 3.12Å; N136-D460 PolarHBondContact N-OD2 2.95Å; E139-D460 HydrophobicContact CB-CB 3.44Å; E139-D460 VanDerWaalsContact CB-CB 3.44Å; E139-D460 HydrophobicContact CG-CB 4.48Å; I140-D460 HydrophobicContact CG1-CB 4.37Å; N458-D460 VanDerWaalsContact C-N 3.32Å; N458-D460 PolarHBondContact O-N 3.44Å; N458-D460 PolarHBondContact OD1-N 3.48Å; D460-K462 VanDerWaalsContact C-N 3.33Å; D460-I463 WeakPolarHBondContact O-CB 3.45Å; D460-I463 PolarHBondContact O-N 3.49Å; D460-G464 PolarHBondContact O-N 2.83Å
461	Q	96.5	Very high	95.9	Very high	25 Å²	25	53.7 Å²	53.7	12%	0.117	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-38.3	172.3	-72.9	-177	15	0	0	111.7	E139 R142 G143 P456 N458 I463 G464 I465	E139-Q461 HydrophobicContact CB-CG 4.49Å; E139-Q461 WeakPolarHBondContact O-CG 3.31Å; E139-Q461 PolarHBondContact OE2-NE2 2.89Å; R142-Q461 HydrophobicContact CB-CG 4.34Å; G143-Q461 WeakPolarHBondContact CA-O 3.36Å; P456-Q461 HydrophobicContact CB-CB 4Å; N458-Q461 PolarHBondContact O-N 3.44Å; N458-Q461 WeakPolarHBondContact OD1-CG 3.42Å; N458-Q461 PolarHBondContact OD1-N 3.2Å; Q461-I463 VanDerWaalsContact C-N 3.29Å; Q461-I463 PolarHBondContact O-N 3.43Å; Q461-G464 WeakPolarHBondContact O-CA 3.24Å; Q461-G464 PolarHBondContact O-N 3.44Å; Q461-I465 WeakPolarHBondContact O-CG1 3.48Å; Q461-I465 PolarHBondContact O-N 3.48Å
462	K	96.6	Very high	96	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-39.8	173.8	-173.7	-177.6	174.3	-173.9	0	111.5	P456 N458 E459 D460 G464 I465 E466	P456-K462 HydrophobicContact CB-CB 3.94Å; P456-K462 HydrophobicContact CG-CB 3.78Å; P456-K462 HydrophobicContact CG-CG 4.16Å; N458-K462 PolarHBondContact O-N 2.96Å; E459-K462 WeakPolarHBondContact O-CB 3.33Å; E459-K462 PolarHBondContact O-N 3.03Å; E459-K462 IonicContact OE1-NZ 3.29Å; E459-K462 IonicContact OE2-NZ 2.72Å; D460-K462 VanDerWaalsContact C-N 3.33Å; K462-G464 VanDerWaalsContact C-N 3.33Å; K462-I465 PolarHBondContact O-N 3.16Å; K462-E466 PolarHBondContact O-N 3.38Å
463	I	96.3	Very high	96.2	Very high	46 Å²	46	51.9 Å²	51.9	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-45.1	171.5	-67.4	168.3	0	0	0	110.3	K130 A135 I140 E459 D460 Q461 I465 E466 I467	K130-I463 HydrophobicContact CB-CG2 3.82Å; K130-I463 HydrophobicContact CD-CG2 4.06Å; K130-I463 HydrophobicContact CG-CG2 3.58Å; A135-I463 HydrophobicContact CB-CD1 4.05Å; I140-I463 HydrophobicContact CD1-CG2 4.12Å; I140-I463 HydrophobicContact CG1-CB 4.34Å; I140-I463 HydrophobicContact CG1-CG2 4.1Å; E459-I463 WeakPolarHBondContact O-CG1 3.38Å; E459-I463 PolarHBondContact O-N 2.79Å; D460-I463 WeakPolarHBondContact O-CB 3.45Å; D460-I463 PolarHBondContact O-N 3.49Å; Q461-I463 VanDerWaalsContact C-N 3.29Å; Q461-I463 PolarHBondContact O-N 3.43Å; I463-I465 PolarHBondContact O-N 3.06Å; I463-E466 PolarHBondContact O-N 3.06Å; I463-I467 HydrophobicContact CG2-CD1 4.15Å; I463-I467 HydrophobicContact CG2-CG1 4.48Å; I463-I467 WeakPolarHBondContact O-CG1 3.36Å; I463-I467 PolarHBondContact O-N 3.37Å
464	G	96.2	Very high	96.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-43.2	175.8	0	0	0	0	0	113.9	V144 D460 Q461 K462 I467 I468	V144-G464 WeakPolarHBondContact CG2-O 3.13Å; D460-G464 PolarHBondContact O-N 2.83Å; Q461-G464 WeakPolarHBondContact O-CA 3.24Å; Q461-G464 PolarHBondContact O-N 3.44Å; K462-G464 VanDerWaalsContact C-N 3.33Å; G464-I467 PolarHBondContact O-N 3.23Å; G464-I468 PolarHBondContact O-N 3.14Å
465	I	97.6	Very high	96.5	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-42.5	175.8	-62.7	166.5	0	0	0	110.8	L146 A147 L451 L454 P456 Q461 K462 I463 I467 I468 R469	L146-I465 HydrophobicContact CD2-CD1 4.4Å; A147-I465 HydrophobicContact CB-CB 4.42Å; A147-I465 HydrophobicContact CB-CG1 4.23Å; A147-I465 HydrophobicContact CB-CG2 4.4Å; L451-I465 HydrophobicContact CB-CG2 4.17Å; L454-I465 HydrophobicContact CB-CD1 4Å; L454-I465 HydrophobicContact CD1-CD1 4.32Å; L454-I465 HydrophobicContact CD1-CG1 4.36Å; L454-I465 HydrophobicContact CD1-CG2 4.37Å; P456-I465 HydrophobicContact CB-CD1 3.96Å; P456-I465 HydrophobicContact CG-CD1 4.45Å; Q461-I465 WeakPolarHBondContact O-CG1 3.48Å; Q461-I465 PolarHBondContact O-N 3.48Å; K462-I465 PolarHBondContact O-N 3.16Å; I463-I465 PolarHBondContact O-N 3.06Å; I465-I467 VanDerWaalsContact C-N 3.34Å; I465-I467 PolarHBondContact O-N 3.35Å; I465-I468 PolarHBondContact O-N 3.4Å; I465-R469 PolarHBondContact O-N 3.38Å
466	E	96.5	Very high	96.6	Very high	66 Å²	66	42.6 Å²	42.6	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-65.5	-35	178.5	-179.4	57.5	-158.4	0	0	112.6	K462 I463 I468 R469 R470	K462-E466 PolarHBondContact O-N 3.38Å; I463-E466 PolarHBondContact O-N 3.06Å; E466-I468 VanDerWaalsContact C-N 3.35Å; E466-I468 PolarHBondContact O-N 3.34Å; E466-R469 WeakPolarHBondContact O-CB 3.32Å; E466-R469 PolarHBondContact O-N 2.95Å; E466-R469 WeakPolarHBondContact OE2-CD 3.32Å; E466-R469 IonicContact OE2-NE 2.74Å; E466-R470 WeakPolarHBondContact O-CG 3.49Å; E466-R470 PolarHBondContact O-N 3.3Å; E466-R470 VanDerWaalsContact O-N 3.09Å; E466-R470 IonicContact OE1-CZ 3.32Å; E466-R470 IonicContact OE1-NE 2.68Å; E466-R470 PolarHBondContact OE1-NE 3.47Å; E466-R470 IonicContact OE1-NH2 2.67Å
467	I	96.6	Very high	96.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-48.9	173.1	-69.4	168.2	0	0	0	110	I123 E126 K130 I140 I463 G464 I465 R470 T471	I123-I467 HydrophobicContact CB-CG2 4.49Å; I123-I467 HydrophobicContact CG1-CG2 4.5Å; I123-I467 HydrophobicContact CG2-CG2 4.23Å; E126-I467 HydrophobicContact CB-CG1 4.09Å; E126-I467 HydrophobicContact CB-CG2 4.05Å; K130-I467 HydrophobicContact CG-CD1 4.45Å; I140-I467 HydrophobicContact CG2-CD1 3.7Å; I463-I467 HydrophobicContact CG2-CD1 4.15Å; I463-I467 HydrophobicContact CG2-CG1 4.48Å; I463-I467 WeakPolarHBondContact O-CG1 3.36Å; I463-I467 PolarHBondContact O-N 3.37Å; G464-I467 PolarHBondContact O-N 3.23Å; I465-I467 VanDerWaalsContact C-N 3.34Å; I465-I467 PolarHBondContact O-N 3.35Å; I467-R470 PolarHBondContact O-N 2.94Å; I467-T471 WeakPolarHBondContact O-CB 3.28Å; I467-T471 PolarHBondContact O-N 3.35Å; I467-T471 PolarHBondContact O-OG1 3.37Å
468	I	97.7	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-44.8	177.6	-69.2	-57.2	0	0	0	111	I123 V144 A147 V148 V151 L451 G464 I465 E466 R470 T471 L472	I123-I468 HydrophobicContact CD1-CD1 3.75Å; I123-I468 HydrophobicContact CG1-CD1 4.12Å; V144-I468 HydrophobicContact CB-CG1 4.42Å; V144-I468 HydrophobicContact CG1-CD1 3.93Å; V144-I468 HydrophobicContact CG1-CG1 4.01Å; V144-I468 HydrophobicContact CG2-CG1 4.46Å; A147-I468 HydrophobicContact CB-CB 3.81Å; A147-I468 HydrophobicContact CB-CG1 3.93Å; A147-I468 HydrophobicContact CB-CG2 3.93Å; V148-I468 HydrophobicContact CG2-CD1 3.92Å; V148-I468 HydrophobicContact CG2-CG1 4.21Å; V151-I468 HydrophobicContact CG2-CG2 4.42Å; L451-I468 HydrophobicContact CD1-CG2 4.15Å; G464-I468 PolarHBondContact O-N 3.14Å; I465-I468 PolarHBondContact O-N 3.4Å; E466-I468 VanDerWaalsContact C-N 3.35Å; E466-I468 PolarHBondContact O-N 3.34Å; I468-R470 PolarHBondContact O-N 3.31Å; I468-R470 VanDerWaalsContact O-N 3.16Å; I468-T471 PolarHBondContact O-N 3.46Å; I468-L472 HydrophobicContact CG2-CD1 4.14Å; I468-L472 HydrophobicContact CG2-CD2 4.41Å; I468-L472 HydrophobicContact CG2-CG 4.08Å; I468-L472 WeakPolarHBondContact O-CG 3.06Å; I468-L472 PolarHBondContact O-N 3.35Å
469	R	96.9	Very high	96.7	Very high	52 Å²	52	37.8 Å²	37.8	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-51.2	-42	177.4	-174.4	-177.8	-61.8	-90.8	-0.2	113	I448 L451 D452 I465 E466	I448-R469 HydrophobicContact CG2-CG 4.08Å; L451-R469 HydrophobicContact CD1-CB 3.82Å; L451-R469 HydrophobicContact CD1-CG 4.39Å; D452-R469 IonicContact OD1-CZ 2.78Å; D452-R469 IonicContact OD1-NH1 3.73Å; D452-R469 PolarHBondContact OD1-NH1 3.03Å; D452-R469 IonicContact OD1-NH2 4Å; D452-R469 PolarHBondContact OD1-NH2 2.82Å; D452-R469 IonicContact OD2-NH1 2.75Å; I465-R469 PolarHBondContact O-N 3.38Å; E466-R469 WeakPolarHBondContact O-CB 3.32Å; E466-R469 PolarHBondContact O-N 2.95Å; E466-R469 WeakPolarHBondContact OE2-CD 3.32Å; E466-R469 IonicContact OE2-NE 2.74Å
470	R	95.5	Very high	96.8	Very high	103 Å²	103	31.8 Å²	31.8	39%	0.389	15%	0.148	S	C	.	.	H	α-helix	trans	-73.9	-42.1	176.8	-66.4	173.5	-178	-153.3	-9	112.1	E126 E466 I467 I468 L472 K473	E126-R470 VanDerWaalsContact OE1-CD 3.32Å; E126-R470 WeakPolarHBondContact OE1-CD 3.46Å; E126-R470 IonicContact OE1-NH1 3.8Å; E126-R470 PolarHBondContact OE1-NH1 3.07Å; E126-R470 IonicContact OE2-NH1 3.73Å; E126-R470 PolarHBondContact OE2-NH1 3.46Å; E466-R470 WeakPolarHBondContact O-CG 3.49Å; E466-R470 PolarHBondContact O-N 3.3Å; E466-R470 VanDerWaalsContact O-N 3.09Å; E466-R470 IonicContact OE1-CZ 3.32Å; E466-R470 IonicContact OE1-NE 2.68Å; E466-R470 PolarHBondContact OE1-NE 3.47Å; E466-R470 IonicContact OE1-NH2 2.67Å; I467-R470 PolarHBondContact O-N 2.94Å; I468-R470 PolarHBondContact O-N 3.31Å; I468-R470 VanDerWaalsContact O-N 3.16Å; R470-L472 VanDerWaalsContact C-N 3.33Å; R470-L472 PolarHBondContact O-N 2.81Å; R470-K473 PolarHBondContact O-N 3.06Å
471	T	96.2	Very high	96.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-35.1	-176	-56.5	0	0	0	0	112.1	L119 A122 I123 I467 I468 K473 I474	L119-T471 HydrophobicContact CB-CG2 4.33Å; L119-T471 HydrophobicContact CD2-CG2 3.59Å; A122-T471 HydrophobicContact CB-CG2 3.79Å; I123-T471 HydrophobicContact CD1-CG2 4.11Å; I123-T471 HydrophobicContact CG1-CG2 3.53Å; I467-T471 WeakPolarHBondContact O-CB 3.28Å; I467-T471 PolarHBondContact O-N 3.35Å; I467-T471 PolarHBondContact O-OG1 3.37Å; I468-T471 PolarHBondContact O-N 3.46Å; T471-K473 PolarHBondContact O-N 3.38Å; T471-I474 VanDerWaalsContact O-CB 3.3Å; T471-I474 WeakPolarHBondContact O-CB 3.33Å; T471-I474 VanDerWaalsContact O-CG1 3.3Å; T471-I474 WeakPolarHBondContact O-CG1 3.47Å; T471-I474 PolarHBondContact O-N 2.88Å
472	L	97.2	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.6	179.1	-67.8	174.8	0	0	0	113.8	V151 L444 I448 L451 I468 R470 L529	V151-L472 HydrophobicContact CG1-CD2 4.14Å; V151-L472 HydrophobicContact CG2-CD1 3.86Å; V151-L472 HydrophobicContact CG2-CD2 4.46Å; L444-L472 HydrophobicContact CB-CB 4.32Å; L444-L472 HydrophobicContact CB-CD2 3.99Å; L444-L472 HydrophobicContact CD2-CD2 3.77Å; L444-L472 HydrophobicContact CG-CD2 4.34Å; I448-L472 HydrophobicContact CD1-CB 4.34Å; I448-L472 HydrophobicContact CG1-CB 4.03Å; I448-L472 HydrophobicContact CG1-CD1 3.79Å; L451-L472 HydrophobicContact CD1-CD1 4.02Å; I468-L472 HydrophobicContact CG2-CD1 4.14Å; I468-L472 HydrophobicContact CG2-CD2 4.41Å; I468-L472 HydrophobicContact CG2-CG 4.08Å; I468-L472 WeakPolarHBondContact O-CG 3.06Å; I468-L472 PolarHBondContact O-N 3.35Å; R470-L472 VanDerWaalsContact C-N 3.33Å; R470-L472 PolarHBondContact O-N 2.81Å; L472-L529 HydrophobicContact CD2-CD1 4.24Å; L472-L529 HydrophobicContact CD2-CD2 4.18Å
473	K	97.3	Very high	96.6	Very high	75 Å²	75	32.7 Å²	32.7	33%	0.326	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.2	177.2	-58	-177.9	-179.4	-174.5	0	113.7	L445 I448 R470 T471 A476 V477 V491	L445-K473 HydrophobicContact CD2-CB 4.1Å; L445-K473 HydrophobicContact CD2-CG 3.74Å; I448-K473 HydrophobicContact CD1-CG 4.04Å; R470-K473 PolarHBondContact O-N 3.06Å; T471-K473 PolarHBondContact O-N 3.38Å; K473-A476 PolarHBondContact O-N 3.35Å; K473-V477 WeakPolarHBondContact O-CG2 3.33Å; K473-V477 PolarHBondContact O-N 3.23Å; K473-V477 VanDerWaalsContact O-N 3.08Å; K473-V491 HydrophobicContact CB-CG1 4.16Å; K473-V491 HydrophobicContact CD-CG1 4.1Å; K473-V491 HydrophobicContact CG-CG1 4.05Å
474	I	97.4	Very high	96.5	Very high	51 Å²	51	33.8 Å²	33.8	26%	0.262	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-41.1	-166	-62.5	-66.8	0	0	0	113.7	V118 A122 T471 A476 V477 T478	V118-I474 HydrophobicContact CB-CG2 4.11Å; V118-I474 HydrophobicContact CG2-CG2 4.15Å; A122-I474 HydrophobicContact CB-CB 4.43Å; A122-I474 HydrophobicContact CB-CD1 4.31Å; A122-I474 HydrophobicContact CB-CG1 3.72Å; A122-I474 HydrophobicContact CB-CG2 4.36Å; T471-I474 VanDerWaalsContact O-CB 3.3Å; T471-I474 WeakPolarHBondContact O-CB 3.33Å; T471-I474 VanDerWaalsContact O-CG1 3.3Å; T471-I474 WeakPolarHBondContact O-CG1 3.47Å; T471-I474 PolarHBondContact O-N 2.88Å; I474-A476 PolarHBondContact O-N 3.22Å; I474-V477 PolarHBondContact O-N 3.06Å; I474-T478 WeakPolarHBondContact O-CB 3.4Å; I474-T478 PolarHBondContact O-N 3.48Å; I474-T478 PolarHBondContact O-OG1 2.87Å
475	P	97.4	Very high	96.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-47.3	178.5	-28.5	39.6	0	0	0	112.6	T115 L119 L444 V477 T478 I479	T115-P475 HydrophobicContact CG2-CB 4.38Å; T115-P475 HydrophobicContact CG2-CG 4.04Å; L119-P475 HydrophobicContact CD2-CG 3.8Å; L119-P475 HydrophobicContact CG-CG 4.15Å; L444-P475 HydrophobicContact CD1-CG 3.84Å; P475-V477 PolarHBondContact O-N 3.16Å; P475-T478 PolarHBondContact O-N 2.93Å; P475-I479 WeakPolarHBondContact O-CG1 3.48Å; P475-I479 PolarHBondContact O-N 3.49Å
476	A	97.1	Very high	96.4	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-40.6	177.8	0	0	0	0	0	112.3	L445 K473 I474 T478 I479 A480 V491	L445-A476 HydrophobicContact CD1-CB 3.99Å; K473-A476 PolarHBondContact O-N 3.35Å; I474-A476 PolarHBondContact O-N 3.22Å; A476-T478 VanDerWaalsContact C-N 3.32Å; A476-T478 PolarHBondContact O-N 3.4Å; A476-I479 PolarHBondContact O-N 2.96Å; A476-A480 WeakPolarHBondContact O-CB 3.07Å; A476-A480 PolarHBondContact O-N 2.88Å; A476-V491 HydrophobicContact CB-CG2 3.66Å
477	V	97.3	Very high	96.2	Very high	38 Å²	38	39 Å²	39	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-43.5	173.1	172.3	0	0	0	0	111.2	K473 I474 P475 A480 K481 V491	K473-V477 WeakPolarHBondContact O-CG2 3.33Å; K473-V477 PolarHBondContact O-N 3.23Å; K473-V477 VanDerWaalsContact O-N 3.08Å; I474-V477 PolarHBondContact O-N 3.06Å; P475-V477 PolarHBondContact O-N 3.16Å; V477-A480 PolarHBondContact O-N 3.2Å; V477-K481 VanDerWaalsContact O-CB 3.26Å; V477-K481 WeakPolarHBondContact O-CB 3.42Å; V477-K481 PolarHBondContact O-N 3.38Å; V477-V491 HydrophobicContact CG2-CG2 3.69Å
478	T	97.4	Very high	96.1	Very high	19 Å²	19	41.8 Å²	41.8	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-43.9	-177.2	-56.5	0	0	0	0	111.3	A52 M55 V118 I474 P475 A476 A480 K481 N482	A52-T478 HydrophobicContact CB-CG2 4.18Å; M55-T478 HydrophobicContact CB-CG2 4.12Å; M55-T478 HydrophobicContact CG-CG2 4.45Å; M55-T478 HydrophobicContact SD-CG2 3.7Å; V118-T478 HydrophobicContact CG1-CG2 4.47Å; I474-T478 WeakPolarHBondContact O-CB 3.4Å; I474-T478 PolarHBondContact O-N 3.48Å; I474-T478 PolarHBondContact O-OG1 2.87Å; P475-T478 PolarHBondContact O-N 2.93Å; A476-T478 VanDerWaalsContact C-N 3.32Å; A476-T478 PolarHBondContact O-N 3.4Å; T478-A480 PolarHBondContact O-N 2.94Å; T478-K481 PolarHBondContact O-N 2.97Å; T478-N482 WeakPolarHBondContact O-CB 3.49Å; T478-N482 PolarHBondContact O-N 3.23Å
479	I	96.4	Very high	96	Very high	23 Å²	23	47 Å²	47	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-48.5	175.2	-68.9	167.3	0	0	0	110.7	M55 P475 A476 K481 N482 A483 A505	M55-I479 HydrophobicContact CG-CG1 3.75Å; M55-I479 HydrophobicContact SD-CD1 4.49Å; M55-I479 HydrophobicContact SD-CG1 3.88Å; P475-I479 WeakPolarHBondContact O-CG1 3.48Å; P475-I479 PolarHBondContact O-N 3.49Å; A476-I479 PolarHBondContact O-N 2.96Å; I479-K481 PolarHBondContact O-N 2.68Å; I479-N482 PolarHBondContact O-N 3.47Å; I479-A483 PolarHBondContact O-N 3.49Å; I479-A505 HydrophobicContact CG2-CB 3.51Å
480	A	96.4	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-42	178.5	0	0	0	0	0	112.2	A476 V477 T478 N482 A483 G484 V485 I490	A476-A480 WeakPolarHBondContact O-CB 3.07Å; A476-A480 PolarHBondContact O-N 2.88Å; V477-A480 PolarHBondContact O-N 3.2Å; T478-A480 PolarHBondContact O-N 2.94Å; A480-N482 PolarHBondContact O-N 3.44Å; A480-A483 CarbonylContact O-C 3.55Å; A480-A483 WeakPolarHBondContact O-CA 3.4Å; A480-A483 WeakPolarHBondContact O-CB 3.34Å; A480-A483 PolarHBondContact O-N 2.87Å; A480-A483 VanDerWaalsContact O-N 3.14Å; A480-G484 PolarHBondContact O-N 3.01Å; A480-V485 HydrophobicContact CB-CG2 3.95Å; A480-V485 VanDerWaalsContact O-CG2 3.22Å; A480-V485 WeakPolarHBondContact O-CG2 3.46Å; A480-V485 PolarHBondContact O-N 2.98Å; A480-V485 VanDerWaalsContact O-N 3.15Å; A480-I490 HydrophobicContact CB-CB 4.16Å; A480-I490 HydrophobicContact CB-CG1 4.08Å; A480-I490 HydrophobicContact CB-CG2 4.3Å
481	K	96.1	Very high	95.9	Very high	155 Å²	155	40.9 Å²	40.9	67%	0.674	23%	0.232	S	C	*	.	H	α-helix	trans	-62.5	-42.3	175.9	-175.3	179.4	178.3	-176	0	111.8	V477 T478 I479 A483 G484	V477-K481 VanDerWaalsContact O-CB 3.26Å; V477-K481 WeakPolarHBondContact O-CB 3.42Å; V477-K481 PolarHBondContact O-N 3.38Å; T478-K481 PolarHBondContact O-N 2.97Å; I479-K481 PolarHBondContact O-N 2.68Å; K481-A483 PolarHBondContact O-N 3.19Å; K481-G484 PolarHBondContact O-N 3.26Å
482	N	95.8	Very high	95.9	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-30.9	176	-74.9	-10.5	0	0	0	112.1	A52 M55 T478 I479 A480 G484	A52-N482 PolarHBondContact O-ND2 2.95Å; M55-N482 PolarHBondContact O-ND2 3.37Å; T478-N482 WeakPolarHBondContact O-CB 3.49Å; T478-N482 PolarHBondContact O-N 3.23Å; I479-N482 PolarHBondContact O-N 3.47Å; A480-N482 PolarHBondContact O-N 3.44Å; N482-G484 PolarHBondContact O-N 3.33Å
483	A	94.2	Very high	95.8	Very high	19 Å²	19	51 Å²	51	16%	0.157	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.3	171.4	0	0	0	0	0	114.4	K58 I479 A480 K481 V485 A505	K58-A483 HydrophobicContact CB-CB 4.44Å; K58-A483 HydrophobicContact CD-CB 3.8Å; I479-A483 PolarHBondContact O-N 3.49Å; A480-A483 CarbonylContact O-C 3.55Å; A480-A483 WeakPolarHBondContact O-CA 3.4Å; A480-A483 WeakPolarHBondContact O-CB 3.34Å; A480-A483 PolarHBondContact O-N 2.87Å; A480-A483 VanDerWaalsContact O-N 3.14Å; K481-A483 PolarHBondContact O-N 3.19Å; A483-V485 HydrophobicContact CB-CG2 4.46Å; A483-A505 HydrophobicContact CB-CB 4.2Å
484	G	94.3	Very high	95.7	Very high	69 Å²	69	47.6 Å²	47.6	71%	0.711	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	18.3	177.6	0	0	0	0	0	114.6	A480 K481 N482	A480-G484 PolarHBondContact O-N 3.01Å; K481-G484 PolarHBondContact O-N 3.26Å; N482-G484 PolarHBondContact O-N 3.33Å
485	V	95.5	Very high	95.6	Very high	56 Å²	56	48.6 Å²	48.6	34%	0.339	27%	0.267	S	S	.	.	S	Bend	trans	-116.1	163.1	178.8	-61.4	0	0	0	0	111.8	A480 A483 G487 I490 Y503	A480-V485 HydrophobicContact CB-CG2 3.95Å; A480-V485 VanDerWaalsContact O-CG2 3.22Å; A480-V485 WeakPolarHBondContact O-CG2 3.46Å; A480-V485 PolarHBondContact O-N 2.98Å; A480-V485 VanDerWaalsContact O-N 3.15Å; A483-V485 HydrophobicContact CB-CG2 4.46Å; V485-G487 PolarHBondContact O-N 3.41Å; V485-G487 VanDerWaalsContact O-N 3.08Å; V485-I490 HydrophobicContact CG2-CD1 4.39Å; V485-I490 HydrophobicContact CG2-CG1 3.95Å; V485-Y503 HydrophobicContact CG2-CE1 4.23Å
486	E	94.9	Very high	95.4	Very high	123 Å²	123	56.1 Å²	56.1	58%	0.575	30%	0.302	S	S	*	.			trans	-73.4	100	-177.4	-171.4	58.8	-148.9	0	0	111.5	S488 L489 I490	E486-S488 VanDerWaalsContact C-N 3.33Å; E486-S488 PolarHBondContact O-N 2.96Å; E486-L489 HydrophobicContact CB-CD1 4.02Å; E486-L489 HydrophobicContact CB-CG 4.28Å; E486-L489 HydrophobicContact CG-CB 4.45Å; E486-L489 HydrophobicContact CG-CD1 3.91Å; E486-L489 HydrophobicContact CG-CG 3.87Å; E486-L489 PolarHBondContact O-N 3.23Å; E486-I490 PolarHBondContact O-N 3.46Å
487	G	93.4	Very high	95.3	Very high	5 Å²	5	57.2 Å²	57.2	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-34	-169.6	0	0	0	0	0	115.2	V485 L489 I490 V491	V485-G487 PolarHBondContact O-N 3.41Å; V485-G487 VanDerWaalsContact O-N 3.08Å; G487-L489 PolarHBondContact O-N 2.99Å; G487-I490 PolarHBondContact O-N 3.46Å; G487-V491 WeakPolarHBondContact O-CG2 3.42Å; G487-V491 PolarHBondContact O-N 3.17Å
488	S	93.9	Very high	95.1	Very high	62 Å²	62	59.4 Å²	59.4	43%	0.434	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-43	178	-56.1	0	0	0	0	111.9	E486 V491 E492	E486-S488 VanDerWaalsContact C-N 3.33Å; E486-S488 PolarHBondContact O-N 2.96Å; S488-V491 PolarHBondContact O-N 3.19Å; S488-E492 WeakPolarHBondContact O-CG 3.34Å; S488-E492 PolarHBondContact O-N 3.38Å
489	L	94.8	Very high	94.7	Very high	110 Å²	110	61.7 Å²	61.7	58%	0.576	34%	0.341	S	S	*	.	H	α-helix	trans	-66.4	-39.2	178.3	-64.4	179.6	0	0	0	111.6	E486 G487 K493	E486-L489 HydrophobicContact CB-CD1 4.02Å; E486-L489 HydrophobicContact CB-CG 4.28Å; E486-L489 HydrophobicContact CG-CB 4.45Å; E486-L489 HydrophobicContact CG-CD1 3.91Å; E486-L489 HydrophobicContact CG-CG 3.87Å; E486-L489 PolarHBondContact O-N 3.23Å; G487-L489 PolarHBondContact O-N 2.99Å; L489-K493 WeakPolarHBondContact O-CB 3.42Å; L489-K493 PolarHBondContact O-N 3.36Å
490	I	96.1	Very high	94.5	Very high	23 Å²	23	64.9 Å²	64.9	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-61.8	-49.3	175.7	-62.4	-56.7	0	0	0	110.3	A480 V485 E486 G487 E492 K493 I494 Y503 F510	A480-I490 HydrophobicContact CB-CB 4.16Å; A480-I490 HydrophobicContact CB-CG1 4.08Å; A480-I490 HydrophobicContact CB-CG2 4.3Å; V485-I490 HydrophobicContact CG2-CD1 4.39Å; V485-I490 HydrophobicContact CG2-CG1 3.95Å; E486-I490 PolarHBondContact O-N 3.46Å; G487-I490 PolarHBondContact O-N 3.46Å; I490-E492 PolarHBondContact O-N 2.96Å; I490-K493 PolarHBondContact O-N 3.08Å; I490-I494 HydrophobicContact CG2-CD1 3.97Å; I490-I494 HydrophobicContact CG2-CG1 4.41Å; I490-I494 WeakPolarHBondContact O-CG1 3.49Å; I490-I494 PolarHBondContact O-N 2.89Å; I490-Y503 HydrophobicContact CD1-CD2 4.12Å; I490-Y503 HydrophobicContact CD1-CE2 3.85Å; I490-Y503 HydrophobicContact CG2-CD1 3.67Å; I490-Y503 HydrophobicContact CG2-CD2 4.04Å; I490-Y503 HydrophobicContact CG2-CE1 4.29Å; I490-Y503 HydrophobicContact CG2-CG 3.52Å; I490-F510 HydrophobicContact CD1-CE2 4.28Å; I490-F510 HydrophobicContact CD1-CZ 4.04Å; I490-F510 HydrophobicContact CG2-CZ 4.35Å
491	V	95.5	Very high	94.4	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.018	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-45.8	179.6	168.2	0	0	0	0	111.9	L445 K473 A476 V477 G487 S488 K493 I494 M495	L445-V491 HydrophobicContact CD1-CG1 4.08Å; L445-V491 HydrophobicContact CD1-CG2 4.38Å; L445-V491 HydrophobicContact CD2-CG1 3.69Å; K473-V491 HydrophobicContact CB-CG1 4.16Å; K473-V491 HydrophobicContact CD-CG1 4.1Å; K473-V491 HydrophobicContact CG-CG1 4.05Å; A476-V491 HydrophobicContact CB-CG2 3.66Å; V477-V491 HydrophobicContact CG2-CG2 3.69Å; G487-V491 WeakPolarHBondContact O-CG2 3.42Å; G487-V491 PolarHBondContact O-N 3.17Å; S488-V491 PolarHBondContact O-N 3.19Å; V491-K493 VanDerWaalsContact C-N 3.29Å; V491-K493 PolarHBondContact O-N 2.85Å; V491-I494 PolarHBondContact O-N 3.48Å; V491-M495 HydrophobicContact CG1-CG 4.34Å; V491-M495 HydrophobicContact CG1-SD 4.04Å; V491-M495 WeakPolarHBondContact O-CG 3.33Å; V491-M495 PolarHBondContact O-N 2.85Å
492	E	95.5	Very high	94.4	Very high	106 Å²	106	59.2 Å²	59.2	50%	0.495	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-43	177.2	-74.8	179.9	178.6	0	0	111.7	S488 I490 M495 Q496	S488-E492 WeakPolarHBondContact O-CG 3.34Å; S488-E492 PolarHBondContact O-N 3.38Å; I490-E492 PolarHBondContact O-N 2.96Å; E492-M495 PolarHBondContact O-N 3.28Å; E492-Q496 WeakPolarHBondContact O-CG 3.25Å; E492-Q496 PolarHBondContact O-N 3.11Å
493	K	95.9	Very high	94.5	Very high	109 Å²	109	59.2 Å²	59.2	47%	0.474	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-37.6	177.5	-170.8	167.1	169.1	-171.1	0	112.5	L489 I490 V491 Q496 S497 F510	L489-K493 WeakPolarHBondContact O-CB 3.42Å; L489-K493 PolarHBondContact O-N 3.36Å; I490-K493 PolarHBondContact O-N 3.08Å; V491-K493 VanDerWaalsContact C-N 3.29Å; V491-K493 PolarHBondContact O-N 2.85Å; K493-Q496 PolarHBondContact O-N 3.01Å; K493-S497 WeakPolarHBondContact O-CB 3.39Å; K493-S497 PolarHBondContact O-N 3.44Å; K493-S497 VanDerWaalsContact O-N 3.11Å; K493-S497 PolarHBondContact O-OG 2.85Å; K493-F510 HydrophobicContact CB-CE1 3.87Å; K493-F510 HydrophobicContact CB-CZ 3.72Å; K493-F510 HydrophobicContact CD-CD2 4.17Å; K493-F510 HydrophobicContact CD-CE1 3.99Å; K493-F510 HydrophobicContact CD-CE2 3.52Å; K493-F510 HydrophobicContact CD-CZ 3.41Å; K493-F510 VanDerWaalsContact CD-CZ 3.41Å; K493-F510 HydrophobicContact CG-CD1 4.32Å; K493-F510 HydrophobicContact CG-CE1 3.65Å; K493-F510 HydrophobicContact CG-CE2 4.15Å; K493-F510 HydrophobicContact CG-CZ 3.58Å
494	I	94.9	Very high	94.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-48.2	171.6	-64.8	168.9	0	0	0	109.8	L445 R446 I490 V491 Q496 S497 F510	L445-I494 HydrophobicContact CD1-CB 4.15Å; L445-I494 HydrophobicContact CD1-CD1 4.16Å; L445-I494 HydrophobicContact CD1-CG2 3.83Å; R446-I494 PolarHBondContact NH1-O 3.47Å; R446-I494 PolarHBondContact NH2-O 3.2Å; I490-I494 HydrophobicContact CG2-CD1 3.97Å; I490-I494 HydrophobicContact CG2-CG1 4.41Å; I490-I494 WeakPolarHBondContact O-CG1 3.49Å; I490-I494 PolarHBondContact O-N 2.89Å; V491-I494 PolarHBondContact O-N 3.48Å; I494-Q496 VanDerWaalsContact C-N 3.27Å; I494-Q496 PolarHBondContact O-N 3.38Å; I494-S497 WeakPolarHBondContact O-CB 3.36Å; I494-S497 PolarHBondContact O-N 3.37Å; I494-F510 HydrophobicContact CG1-CD1 4.46Å; I494-F510 HydrophobicContact CG1-CE1 3.82Å
495	M	94.3	Very high	94.6	Very high	73 Å²	73	56.2 Å²	56.2	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-32	-178.6	-70.1	-177.2	72.1	0	0	112.9	L445 I448 V491 E492	L445-M495 HydrophobicContact CD2-SD 4.5Å; I448-M495 HydrophobicContact CD1-CE 3.96Å; I448-M495 HydrophobicContact CD1-SD 4.27Å; I448-M495 HydrophobicContact CG2-CE 4.42Å; V491-M495 HydrophobicContact CG1-CG 4.34Å; V491-M495 HydrophobicContact CG1-SD 4.04Å; V491-M495 WeakPolarHBondContact O-CG 3.33Å; V491-M495 PolarHBondContact O-N 2.85Å; E492-M495 PolarHBondContact O-N 3.28Å
496	Q	94.6	Very high	94.3	Very high	160 Å²	160	59.3 Å²	59.3	75%	0.748	31%	0.311	S	S	*	.	H	α-helix	trans	-80.3	-16.1	174.8	-69.1	171.9	7.8	0	0	113.8	E492 K493 I494	E492-Q496 WeakPolarHBondContact O-CG 3.25Å; E492-Q496 PolarHBondContact O-N 3.11Å; K493-Q496 PolarHBondContact O-N 3.01Å; I494-Q496 VanDerWaalsContact C-N 3.27Å; I494-Q496 PolarHBondContact O-N 3.38Å
497	S	94.1	Very high	94.2	Very high	27 Å²	27	59.1 Å²	59.1	19%	0.189	31%	0.313	C	S	.	.	S	Bend	trans	-86.2	160.3	-178.8	-60.9	0	0	0	0	112	R446 K493 I494	R446-S497 PolarHBondContact NH1-O 3.02Å; R446-S497 PolarHBondContact NH2-O 2.7Å; K493-S497 WeakPolarHBondContact O-CB 3.39Å; K493-S497 PolarHBondContact O-N 3.44Å; K493-S497 VanDerWaalsContact O-N 3.11Å; K493-S497 PolarHBondContact O-OG 2.85Å; I494-S497 WeakPolarHBondContact O-CB 3.36Å; I494-S497 PolarHBondContact O-N 3.37Å
498	P	93.6	Very high	94.2	Very high	84 Å²	84	60.2 Å²	60.2	55%	0.545	32%	0.324	S	S	.	.			trans	-52.7	157.9	172.8	-26.2	35.2	0	0	0	113.2	R446 E500 V501	R446-P498 PolarHBondContact NH2-O 3.12Å; P498-E500 PolarHBondContact O-N 3.23Å; P498-E500 VanDerWaalsContact O-N 3.13Å; P498-V501 HydrophobicContact CB-CG2 4.31Å; P498-V501 HydrophobicContact CG-CG2 4.42Å; P498-V501 PolarHBondContact O-N 3.37Å
499	S	89.4	Confident	94.2	Very high	68 Å²	68	62.1 Å²	62.1	48%	0.476	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.5	-173.8	26.3	0	0	0	0	114	R446 V501	R446-S499 PolarHBondContact NE-O 3.27Å; S499-V501 VanDerWaalsContact C-N 3.34Å
500	E	90.8	Very high	94.3	Very high	90 Å²	90	59.4 Å²	59.4	42%	0.421	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.1	-175.5	-53.3	73.6	-150.3	0	0	112.8	P498 N512 M513	P498-E500 PolarHBondContact O-N 3.23Å; P498-E500 VanDerWaalsContact O-N 3.13Å; E500-N512 WeakPolarHBondContact O-CA 3.47Å; E500-M513 PolarHBondContact O-N 2.97Å
501	V	95.7	Very high	94.3	Very high	35 Å²	35	59.2 Å²	59.2	21%	0.212	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.6	-174.1	179.3	0	0	0	0	110.4	R446 P498 S499 F510 V511	R446-V501 PolarHBondContact NH2-O 3.48Å; P498-V501 HydrophobicContact CB-CG2 4.31Å; P498-V501 HydrophobicContact CG-CG2 4.42Å; P498-V501 PolarHBondContact O-N 3.37Å; S499-V501 VanDerWaalsContact C-N 3.34Å; V501-F510 HydrophobicContact CG1-CB 4.06Å; V501-F510 HydrophobicContact CG1-CD1 4.42Å; V501-V511 CarbonylContact C-O 3.46Å; V501-V511 VanDerWaalsContact CA-O 3.31Å; V501-V511 WeakPolarHBondContact CA-O 3.43Å
502	G	96.1	Very high	94.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	-166.2	173.5	0	0	0	0	0	111.6	C442 F510 V511 M513	C442-G502 VanDerWaalsContact SG-CA 3.59Å; G502-F510 CarbonylContact O-C 3.57Å; G502-F510 WeakPolarHBondContact O-CA 3.46Å; G502-V511 PolarHBondContact N-O 3.26Å; G502-V511 PolarHBondContact O-N 3.19Å; G502-M513 VanDerWaalsContact C-SD 3.55Å; G502-M513 WeakPolarHBondContact CA-SD 3.41Å
503	Y	96.7	Very high	94.2	Very high	20 Å²	20	55.8 Å²	55.8	8%	0.078	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.2	-176.7	-179.1	-112.3	0	0	0	111.2	V485 I490 A505 G508 F510	V485-Y503 HydrophobicContact CG2-CE1 4.23Å; I490-Y503 HydrophobicContact CD1-CD2 4.12Å; I490-Y503 HydrophobicContact CD1-CE2 3.85Å; I490-Y503 HydrophobicContact CG2-CD1 3.67Å; I490-Y503 HydrophobicContact CG2-CD2 4.04Å; I490-Y503 HydrophobicContact CG2-CE1 4.29Å; I490-Y503 HydrophobicContact CG2-CG 3.52Å; Y503-A505 HydrophobicContact CD1-CB 4.06Å; Y503-A505 HydrophobicContact CE1-CB 3.83Å; Y503-A505 PolarHBondContact O-N 2.94Å; Y503-G508 WeakPolarHBondContact CE2-O 3.43Å; Y503-F510 HydrophobicContact CD2-CD2 4.3Å; Y503-F510 HydrophobicContact CD2-CE1 4.48Å; Y503-F510 AromaticContact CD2-CE2 3.95Å; Y503-F510 HydrophobicContact CD2-CE2 3.95Å; Y503-F510 HydrophobicContact CD2-CZ 4.05Å; Y503-F510 HydrophobicContact CE2-CE2 4.42Å
504	D	95.8	Very high	93.8	Very high	20 Å²	20	52.8 Å²	52.8	11%	0.107	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	103.2	168	-177.7	-22.7	0	0	0	108.7	M506 L507 G508 D509 V511 I518	D504-M506 VanDerWaalsContact C-N 3.26Å; D504-M506 PolarHBondContact O-N 3.02Å; D504-M506 WeakPolarHBondContact OD1-CA 3.26Å; D504-M506 VanDerWaalsContact OD1-CB 3.3Å; D504-M506 WeakPolarHBondContact OD1-CB 3.44Å; D504-M506 PolarHBondContact OD1-N 3.49Å; D504-L507 HydrophobicContact CB-CB 4.48Å; D504-L507 PolarHBondContact OD1-N 2.83Å; D504-L507 WeakPolarHBondContact OD2-CD1 3.47Å; D504-L507 WeakPolarHBondContact OD2-CG 3.5Å; D504-G508 VanDerWaalsContact O-CA 3.23Å; D504-G508 WeakPolarHBondContact O-CA 3.38Å; D504-G508 PolarHBondContact O-N 3.01Å; D504-D509 PolarHBondContact N-O 3.27Å; D504-D509 PolarHBondContact O-N 3.4Å; D504-V511 HydrophobicContact CB-CG2 3.9Å; D504-I518 HydrophobicContact CB-CD1 3.77Å
505	A	94.4	Very high	93.6	Very high	5 Å²	5	59.9 Å²	59.9	4%	0.041	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.3	-178.9	0	0	0	0	0	114	P57 K58 I479 A483 Y503	P57-A505 HydrophobicContact CG-CB 3.97Å; K58-A505 WeakPolarHBondContact CD-O 3.42Å; K58-A505 VanDerWaalsContact CE-O 3.22Å; K58-A505 WeakPolarHBondContact CE-O 3.4Å; K58-A505 PolarHBondContact NZ-O 2.87Å; I479-A505 HydrophobicContact CG2-CB 3.51Å; A483-A505 HydrophobicContact CB-CB 4.2Å; Y503-A505 HydrophobicContact CD1-CB 4.06Å; Y503-A505 HydrophobicContact CE1-CB 3.83Å; Y503-A505 PolarHBondContact O-N 2.94Å
506	M	91.1	Very high	93.4	Very high	121 Å²	121	62.6 Å²	62.6	60%	0.596	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-53.5	176.5	-170.4	166.4	-177.2	0	0	109.7	P57 K58 D504	P57-M506 HydrophobicContact CB-CB 4.13Å; P57-M506 HydrophobicContact CG-CB 4.15Å; K58-M506 VanDerWaalsContact CE-O 3.3Å; K58-M506 WeakPolarHBondContact CE-O 3.38Å; K58-M506 PolarHBondContact NZ-O 2.89Å; D504-M506 VanDerWaalsContact C-N 3.26Å; D504-M506 PolarHBondContact O-N 3.02Å; D504-M506 WeakPolarHBondContact OD1-CA 3.26Å; D504-M506 VanDerWaalsContact OD1-CB 3.3Å; D504-M506 WeakPolarHBondContact OD1-CB 3.44Å; D504-M506 PolarHBondContact OD1-N 3.49Å
507	L	91.8	Very high	93	Very high	118 Å²	118	55.4 Å²	55.4	62%	0.618	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-30.4	179.1	-64.1	-178.8	0	0	0	113.3	D504	D504-L507 HydrophobicContact CB-CB 4.48Å; D504-L507 PolarHBondContact OD1-N 2.83Å; D504-L507 WeakPolarHBondContact OD2-CD1 3.47Å; D504-L507 WeakPolarHBondContact OD2-CG 3.5Å
508	G	93.6	Very high	92.9	Very high	29 Å²	29	55.5 Å²	55.5	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	19.7	-177.8	0	0	0	0	0	114.6	Y503 D504	Y503-G508 WeakPolarHBondContact CE2-O 3.43Å; D504-G508 VanDerWaalsContact O-CA 3.23Å; D504-G508 WeakPolarHBondContact O-CA 3.38Å; D504-G508 PolarHBondContact O-N 3.01Å
509	D	94.8	Very high	92.9	Very high	101 Å²	101	51.7 Å²	51.7	54%	0.54	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	162.5	-173	-78.3	-33.7	0	0	0	113.4	D504 V511	D504-D509 PolarHBondContact N-O 3.27Å; D504-D509 PolarHBondContact O-N 3.4Å; D509-V511 HydrophobicContact CB-CG1 4.48Å
510	F	95.9	Very high	93.1	Very high	53 Å²	53	50.4 Å²	50.4	23%	0.232	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.8	174.9	-71.3	-98.5	0	0	0	110.3	I490 K493 I494 V501 G502 Y503	I490-F510 HydrophobicContact CD1-CE2 4.28Å; I490-F510 HydrophobicContact CD1-CZ 4.04Å; I490-F510 HydrophobicContact CG2-CZ 4.35Å; K493-F510 HydrophobicContact CB-CE1 3.87Å; K493-F510 HydrophobicContact CB-CZ 3.72Å; K493-F510 HydrophobicContact CD-CD2 4.17Å; K493-F510 HydrophobicContact CD-CE1 3.99Å; K493-F510 HydrophobicContact CD-CE2 3.52Å; K493-F510 HydrophobicContact CD-CZ 3.41Å; K493-F510 VanDerWaalsContact CD-CZ 3.41Å; K493-F510 HydrophobicContact CG-CD1 4.32Å; K493-F510 HydrophobicContact CG-CE1 3.65Å; K493-F510 HydrophobicContact CG-CE2 4.15Å; K493-F510 HydrophobicContact CG-CZ 3.58Å; I494-F510 HydrophobicContact CG1-CD1 4.46Å; I494-F510 HydrophobicContact CG1-CE1 3.82Å; V501-F510 HydrophobicContact CG1-CB 4.06Å; V501-F510 HydrophobicContact CG1-CD1 4.42Å; G502-F510 CarbonylContact O-C 3.57Å; G502-F510 WeakPolarHBondContact O-CA 3.46Å; Y503-F510 HydrophobicContact CD2-CD2 4.3Å; Y503-F510 HydrophobicContact CD2-CE1 4.48Å; Y503-F510 AromaticContact CD2-CE2 3.95Å; Y503-F510 HydrophobicContact CD2-CE2 3.95Å; Y503-F510 HydrophobicContact CD2-CZ 4.05Å; Y503-F510 HydrophobicContact CE2-CE2 4.42Å
511	V	96.3	Very high	93.3	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.7	-170.4	-60.8	0	0	0	0	111.4	V501 G502 D504 D509 M513 K516 I518	V501-V511 CarbonylContact C-O 3.46Å; V501-V511 VanDerWaalsContact CA-O 3.31Å; V501-V511 WeakPolarHBondContact CA-O 3.43Å; G502-V511 PolarHBondContact N-O 3.26Å; G502-V511 PolarHBondContact O-N 3.19Å; D504-V511 HydrophobicContact CB-CG2 3.9Å; D509-V511 HydrophobicContact CB-CG1 4.48Å; V511-M513 HydrophobicContact CG2-SD 4.17Å; V511-M513 PolarHBondContact O-N 3.48Å; V511-K516 HydrophobicContact CB-CG 3.68Å; V511-K516 HydrophobicContact CG1-CG 4.19Å; V511-K516 HydrophobicContact CG2-CB 4.12Å; V511-K516 HydrophobicContact CG2-CG 3.72Å; V511-I518 HydrophobicContact CG2-CD1 4.2Å
512	N	95.2	Very high	93.4	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.193	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	115.1	164.2	-177.8	-35.8	0	0	0	108.8	E500 V514 E515 K516	E500-N512 WeakPolarHBondContact O-CA 3.47Å; N512-V514 PolarHBondContact O-N 2.66Å; N512-V514 PolarHBondContact OD1-N 3.43Å; N512-V514 VanDerWaalsContact OD1-N 3.13Å; N512-E515 HydrophobicContact CB-CB 3.98Å; N512-E515 HydrophobicContact CB-CG 4.14Å; N512-E515 WeakPolarHBondContact CB-OE2 3.49Å; N512-E515 VanDerWaalsContact CG-CD 3.47Å; N512-E515 PolarHBondContact ND2-OE1 3.4Å; N512-E515 PolarHBondContact OD1-N 3.25Å; N512-E515 VanDerWaalsContact OD1-N 3.15Å; N512-K516 WeakPolarHBondContact O-CB 3.36Å; N512-K516 WeakPolarHBondContact O-CG 3.39Å; N512-K516 PolarHBondContact O-N 2.94Å
513	M	93.1	Very high	93.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-41.4	-171.2	-62.3	-59.6	-79.4	0	0	111.9	P438 G439 E500 G502 V511 G517 I518	P438-M513 HydrophobicContact CB-CB 4.04Å; P438-M513 HydrophobicContact CB-CG 4.41Å; G439-M513 VanDerWaalsContact O-CE 3.29Å; G439-M513 WeakPolarHBondContact O-CE 3.24Å; E500-M513 PolarHBondContact O-N 2.97Å; G502-M513 VanDerWaalsContact C-SD 3.55Å; G502-M513 WeakPolarHBondContact CA-SD 3.41Å; V511-M513 HydrophobicContact CG2-SD 4.17Å; V511-M513 PolarHBondContact O-N 3.48Å; M513-G517 PolarHBondContact O-N 3.33Å; M513-I518 HydrophobicContact CE-CB 3.72Å; M513-I518 HydrophobicContact CE-CD1 4.3Å; M513-I518 HydrophobicContact CE-CG2 3.38Å; M513-I518 PolarHBondContact O-N 3.03Å; M513-I518 HydrophobicContact SD-CB 4.35Å; M513-I518 HydrophobicContact SD-CD1 4.31Å
514	V	88.5	Confident	93.3	Very high	46 Å²	46	45.8 Å²	45.8	28%	0.279	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-43.2	-178.1	-178.4	0	0	0	0	110.7	P438 N512 K516 G517 I519	P438-V514 HydrophobicContact CG-CG2 4.43Å; N512-V514 PolarHBondContact O-N 2.66Å; N512-V514 PolarHBondContact OD1-N 3.43Å; N512-V514 VanDerWaalsContact OD1-N 3.13Å; V514-K516 VanDerWaalsContact C-N 3.29Å; V514-K516 PolarHBondContact O-N 3.44Å; V514-G517 PolarHBondContact O-N 2.96Å; V514-I519 HydrophobicContact CG2-CG2 4.29Å
515	E	89	Confident	93.3	Very high	152 Å²	152	45.5 Å²	45.5	71%	0.71	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.7	178.3	-70.6	173.4	-170.9	0	0	112.8	N512 G517	N512-E515 HydrophobicContact CB-CB 3.98Å; N512-E515 HydrophobicContact CB-CG 4.14Å; N512-E515 WeakPolarHBondContact CB-OE2 3.49Å; N512-E515 VanDerWaalsContact CG-CD 3.47Å; N512-E515 PolarHBondContact ND2-OE1 3.4Å; N512-E515 PolarHBondContact OD1-N 3.25Å; N512-E515 VanDerWaalsContact OD1-N 3.15Å; E515-G517 PolarHBondContact O-N 3.06Å
516	K	90.1	Very high	93.4	Very high	129 Å²	129	47.3 Å²	47.3	56%	0.561	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.4	173.4	-70.9	-59.7	-171.2	176.6	0	113.8	V511 N512 V514 I518	V511-K516 HydrophobicContact CB-CG 3.68Å; V511-K516 HydrophobicContact CG1-CG 4.19Å; V511-K516 HydrophobicContact CG2-CB 4.12Å; V511-K516 HydrophobicContact CG2-CG 3.72Å; N512-K516 WeakPolarHBondContact O-CB 3.36Å; N512-K516 WeakPolarHBondContact O-CG 3.39Å; N512-K516 PolarHBondContact O-N 2.94Å; V514-K516 VanDerWaalsContact C-N 3.29Å; V514-K516 PolarHBondContact O-N 3.44Å; K516-I518 HydrophobicContact CB-CD1 4.33Å; K516-I518 HydrophobicContact CB-CG1 4.22Å
517	G	87.4	Confident	93.6	Very high	9 Å²	9	41.5 Å²	41.5	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	43.5	-176.7	0	0	0	0	0	111.6	I174 M513 V514 E515	I174-G517 WeakPolarHBondContact CD1-O 3.4Å; I174-G517 WeakPolarHBondContact CG1-O 3.34Å; M513-G517 PolarHBondContact O-N 3.33Å; V514-G517 PolarHBondContact O-N 2.96Å; E515-G517 PolarHBondContact O-N 3.06Å
518	I	92.4	Very high	93.9	Very high	30 Å²	30	35.9 Å²	35.9	15%	0.154	19%	0.185	C	C	.	.			trans	-108.7	83.5	168.8	-50	174.1	0	0	0	107.2	G439 D504 V511 M513 K516	G439-I518 PolarHBondContact N-O 2.85Å; D504-I518 HydrophobicContact CB-CD1 3.77Å; V511-I518 HydrophobicContact CG2-CD1 4.2Å; M513-I518 HydrophobicContact CE-CB 3.72Å; M513-I518 HydrophobicContact CE-CD1 4.3Å; M513-I518 HydrophobicContact CE-CG2 3.38Å; M513-I518 PolarHBondContact O-N 3.03Å; M513-I518 HydrophobicContact SD-CB 4.35Å; M513-I518 HydrophobicContact SD-CD1 4.31Å; K516-I518 HydrophobicContact CB-CD1 4.33Å; K516-I518 HydrophobicContact CB-CG1 4.22Å
519	I	93	Very high	94.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.9	-172.4	53.4	174	0	0	0	110.2	Q170 V171 I174 I436 V437 V514	Q170-I519 HydrophobicContact CB-CD1 4.12Å; V171-I519 HydrophobicContact CG2-CD1 3.48Å; V171-I519 VanDerWaalsContact CG2-CD1 3.48Å; V171-I519 HydrophobicContact CG2-CG1 4.01Å; I174-I519 HydrophobicContact CD1-CB 4.43Å; I174-I519 HydrophobicContact CD1-CG1 3.51Å; I174-I519 VanDerWaalsContact CD1-N 3.33Å; I174-I519 WeakPolarHBondContact CD1-O 3.38Å; I436-I519 HydrophobicContact CB-CB 4.35Å; I436-I519 HydrophobicContact CB-CD1 4.46Å; I436-I519 HydrophobicContact CD1-CB 4.35Å; I436-I519 HydrophobicContact CD1-CD1 3.53Å; I436-I519 HydrophobicContact CD1-CG2 4.24Å; I436-I519 HydrophobicContact CG2-CD1 4.25Å; V437-I519 WeakPolarHBondContact O-CA 3.32Å; V514-I519 HydrophobicContact CG2-CG2 4.29Å
520	D	93.9	Very high	94.1	Very high	41 Å²	41	32.8 Å²	32.8	22%	0.219	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.9	175.4	-65.9	-27.9	0	0	0	109.2	I436 V437 G439 G440 T522 V525	I436-D520 WeakPolarHBondContact CA-O 3.49Å; V437-D520 WeakPolarHBondContact CG2-O 3.45Å; V437-D520 PolarHBondContact N-O 3.04Å; V437-D520 PolarHBondContact O-N 3.31Å; G439-D520 VanDerWaalsContact CA-CG 3.47Å; G439-D520 WeakPolarHBondContact CA-OD2 3.39Å; G440-D520 PolarHBondContact N-OD2 3Å; D520-T522 PolarHBondContact O-N 3.49Å; D520-V525 HydrophobicContact CB-CG2 3.79Å
521	P	95.3	Very high	94.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	132.7	172.9	-19.5	30.5	0	0	0	111.6	V171 A427 A430 A431 K523 V524 V525	V171-P521 HydrophobicContact CG1-CG 4.03Å; A427-P521 HydrophobicContact CB-CG 3.96Å; A427-P521 WeakPolarHBondContact O-CG 3.21Å; A430-P521 HydrophobicContact CB-CB 3.94Å; A431-P521 HydrophobicContact CB-CB 4.03Å; A431-P521 HydrophobicContact CB-CG 4.09Å; P521-K523 VanDerWaalsContact C-N 3.27Å; P521-K523 PolarHBondContact O-N 2.96Å; P521-V524 HydrophobicContact CB-CB 4.16Å; P521-V524 HydrophobicContact CB-CG2 3.8Å; P521-V524 HydrophobicContact CG-CB 4.44Å; P521-V524 HydrophobicContact CG-CG2 3.91Å; P521-V524 WeakPolarHBondContact O-CB 3.5Å; P521-V524 PolarHBondContact O-N 3.43Å; P521-V524 VanDerWaalsContact O-N 3.08Å; P521-V525 PolarHBondContact O-N 3.35Å
522	T	96.3	Very high	94.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-40.2	-179.3	-59.3	0	0	0	0	112	S159 G435 V437 D520 V524 V525 R526	S159-T522 WeakPolarHBondContact CB-OG1 3.38Å; S159-T522 PolarHBondContact OG-OG1 3.19Å; G435-T522 PolarHBondContact O-N 3.12Å; G435-T522 PolarHBondContact O-OG1 3.45Å; V437-T522 WeakPolarHBondContact CG1-OG1 3.34Å; D520-T522 PolarHBondContact O-N 3.49Å; T522-V524 VanDerWaalsContact C-N 3.34Å; T522-V524 PolarHBondContact O-N 3.18Å; T522-V525 PolarHBondContact O-N 3.35Å; T522-R526 WeakPolarHBondContact O-CG 3.49Å; T522-R526 PolarHBondContact O-N 3.37Å
523	K	95.2	Very high	94.1	Very high	39 Å²	39	28.5 Å²	28.5	17%	0.17	14%	0.139	C	C	.	.	H	α-helix	trans	-58.4	-43	176.3	177	170.1	172.1	176.7	0	112.1	E108 A430 E433 E434 P521 R526 T527	E108-K523 WeakPolarHBondContact O-CE 3.1Å; A430-K523 HydrophobicContact CB-CB 4.1Å; A430-K523 HydrophobicContact CB-CD 4.12Å; A430-K523 HydrophobicContact CB-CG 4.34Å; E433-K523 IonicContact OE2-NZ 2.71Å; E433-K523 PolarHBondContact OE2-NZ 3.36Å; E434-K523 HydrophobicContact CB-CB 4.04Å; E434-K523 HydrophobicContact CG-CB 4.1Å; P521-K523 VanDerWaalsContact C-N 3.27Å; P521-K523 PolarHBondContact O-N 2.96Å; K523-R526 VanDerWaalsContact O-CG 3.29Å; K523-R526 WeakPolarHBondContact O-CG 3.41Å; K523-T527 VanDerWaalsContact O-CB 3.26Å; K523-T527 WeakPolarHBondContact O-CB 3.33Å; K523-T527 PolarHBondContact O-N 3.07Å; K523-T527 PolarHBondContact O-OG1 3.18Å
524	V	95.6	Very high	94.2	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-49.8	178.4	172.4	0	0	0	0	110.8	A109 D111 A430 P521 T522 R526 T527 A528	A109-V524 HydrophobicContact CB-CB 4.47Å; A109-V524 HydrophobicContact CB-CG2 3.97Å; D111-V524 HydrophobicContact CB-CG1 4.19Å; D111-V524 HydrophobicContact CB-CG2 4Å; A430-V524 HydrophobicContact CB-CG2 4.14Å; P521-V524 HydrophobicContact CB-CB 4.16Å; P521-V524 HydrophobicContact CB-CG2 3.8Å; P521-V524 HydrophobicContact CG-CB 4.44Å; P521-V524 HydrophobicContact CG-CG2 3.91Å; P521-V524 WeakPolarHBondContact O-CB 3.5Å; P521-V524 PolarHBondContact O-N 3.43Å; P521-V524 VanDerWaalsContact O-N 3.08Å; T522-V524 VanDerWaalsContact C-N 3.34Å; T522-V524 PolarHBondContact O-N 3.18Å; V524-R526 PolarHBondContact O-N 3.38Å; V524-T527 PolarHBondContact O-N 3.4Å; V524-A528 VanDerWaalsContact O-CB 3.3Å; V524-A528 WeakPolarHBondContact O-CB 3.47Å; V524-A528 PolarHBondContact O-N 3.21Å
525	V	96.7	Very high	94.4	Very high	13 Å²	13	28.8 Å²	28.8	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-43.5	-177.6	-179.5	0	0	0	0	111.6	L155 V437 L444 D520 P521 T522 L529	L155-V525 HydrophobicContact CD1-CG1 3.96Å; L155-V525 HydrophobicContact CD2-CG1 4.16Å; V437-V525 HydrophobicContact CG2-CG2 4.03Å; L444-V525 HydrophobicContact CD1-CG1 4.43Å; L444-V525 HydrophobicContact CD2-CG1 3.67Å; L444-V525 HydrophobicContact CG-CG1 3.88Å; D520-V525 HydrophobicContact CB-CG2 3.79Å; P521-V525 PolarHBondContact O-N 3.35Å; T522-V525 PolarHBondContact O-N 3.35Å; V525-L529 PolarHBondContact O-N 3.32Å
526	R	96.2	Very high	94.5	Very high	43 Å²	43	21.7 Å²	21.7	16%	0.162	11%	0.113	C	C	.	.	H	α-helix	trans	-68	-41.9	179.4	74.7	172.8	-176.9	68.4	1.4	112.2	I152 L155 E434 T522 K523 V524 L529 M530	I152-R526 HydrophobicContact CG1-CB 4.25Å; I152-R526 HydrophobicContact CG2-CB 4.42Å; L155-R526 HydrophobicContact CD1-CB 4.41Å; E434-R526 IonicContact OE1-CZ 3.8Å; E434-R526 IonicContact OE1-NE 3.89Å; E434-R526 PolarHBondContact OE1-NE 2.94Å; E434-R526 IonicContact OE1-NH2 3.24Å; E434-R526 PolarHBondContact OE1-NH2 3.45Å; E434-R526 WeakPolarHBondContact OE2-CD 3.41Å; E434-R526 IonicContact OE2-CZ 3.67Å; E434-R526 IonicContact OE2-NE 2.71Å; E434-R526 PolarHBondContact OE2-NE 3.39Å; E434-R526 IonicContact OE2-NH2 2.63Å; T522-R526 WeakPolarHBondContact O-CG 3.49Å; T522-R526 PolarHBondContact O-N 3.37Å; K523-R526 VanDerWaalsContact O-CG 3.29Å; K523-R526 WeakPolarHBondContact O-CG 3.41Å; V524-R526 PolarHBondContact O-N 3.38Å; R526-L529 PolarHBondContact O-N 3.16Å; R526-M530 VanDerWaalsContact O-CB 3.28Å; R526-M530 WeakPolarHBondContact O-CB 3.06Å; R526-M530 PolarHBondContact O-N 3.11Å
527	T	96.3	Very high	94.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.5	-45.2	-177.6	-73.7	0	0	0	0	109.6	T105 E108 A109 K523 V524 L529 M530 D531	T105-T527 HydrophobicContact CG2-CG2 4.16Å; E108-T527 HydrophobicContact CB-CG2 3.81Å; E108-T527 WeakPolarHBondContact OE2-CG2 3.49Å; A109-T527 HydrophobicContact CB-CG2 4.21Å; K523-T527 VanDerWaalsContact O-CB 3.26Å; K523-T527 WeakPolarHBondContact O-CB 3.33Å; K523-T527 PolarHBondContact O-N 3.07Å; K523-T527 PolarHBondContact O-OG1 3.18Å; V524-T527 PolarHBondContact O-N 3.4Å; T527-L529 VanDerWaalsContact C-N 3.31Å; T527-L529 PolarHBondContact O-N 3.37Å; T527-M530 PolarHBondContact O-N 2.9Å; T527-D531 VanDerWaalsContact CG2-OD2 3.32Å; T527-D531 WeakPolarHBondContact CG2-OD2 3.4Å; T527-D531 WeakPolarHBondContact O-CB 3.41Å; T527-D531 PolarHBondContact O-N 2.84Å
528	A	96.8	Very high	94.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.9	-41.7	176.1	0	0	0	0	0	112.9	T105 T115 A116 V524 A532	T105-A528 HydrophobicContact CG2-CB 4.17Å; T115-A528 HydrophobicContact CG2-CB 4.24Å; A116-A528 HydrophobicContact CB-CB 3.9Å; V524-A528 VanDerWaalsContact O-CB 3.3Å; V524-A528 WeakPolarHBondContact O-CB 3.47Å; V524-A528 PolarHBondContact O-N 3.21Å; A528-A532 WeakPolarHBondContact O-CB 3.37Å; A528-A532 PolarHBondContact O-N 2.78Å
529	L	97.4	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.3	-45	176.5	178.2	63.4	0	0	0	112.2	L119 V148 V151 L444 L472 V525 R526 T527 A533	L119-L529 HydrophobicContact CD1-CB 4.37Å; L119-L529 HydrophobicContact CD1-CD1 4.28Å; V148-L529 HydrophobicContact CG1-CD2 4.47Å; V148-L529 HydrophobicContact CG1-CG 4.33Å; V148-L529 HydrophobicContact CG2-CG 4.36Å; V151-L529 HydrophobicContact CB-CD2 3.99Å; V151-L529 HydrophobicContact CG1-CD2 3.43Å; V151-L529 VanDerWaalsContact CG1-CD2 3.43Å; L444-L529 HydrophobicContact CD2-CD2 4.23Å; L472-L529 HydrophobicContact CD2-CD1 4.24Å; L472-L529 HydrophobicContact CD2-CD2 4.18Å; V525-L529 PolarHBondContact O-N 3.32Å; R526-L529 PolarHBondContact O-N 3.16Å; T527-L529 VanDerWaalsContact C-N 3.31Å; T527-L529 PolarHBondContact O-N 3.37Å; L529-A533 VanDerWaalsContact O-CB 3.25Å; L529-A533 WeakPolarHBondContact O-CB 3.34Å; L529-A533 PolarHBondContact O-N 3.14Å
530	M	96.1	Very high	94.1	Very high	64 Å²	64	18.8 Å²	18.8	32%	0.315	10%	0.102	S	C	.	.	H	α-helix	trans	-63.4	-48.5	-177.1	-172.7	178.9	71.7	0	0	111.7	I152 R526 T527 A533 G534	I152-M530 HydrophobicContact CD1-CB 4.19Å; I152-M530 HydrophobicContact CD1-CG 4.44Å; R526-M530 VanDerWaalsContact O-CB 3.28Å; R526-M530 WeakPolarHBondContact O-CB 3.06Å; R526-M530 PolarHBondContact O-N 3.11Å; T527-M530 PolarHBondContact O-N 2.9Å; M530-A533 PolarHBondContact O-N 2.74Å; M530-G534 PolarHBondContact O-N 3.38Å
531	D	95.3	Very high	93.8	Very high	18 Å²	18	18.9 Å²	18.9	10%	0.096	10%	0.104	C	C	.	.	H	α-helix	trans	-65.8	-46.2	179.9	-68.7	-21.6	0	0	0	111.4	V101 T105 T527 A533 G534 V535	V101-D531 HydrophobicContact CG1-CB 4.18Å; T105-D531 VanDerWaalsContact CA-OD2 3.24Å; T105-D531 WeakPolarHBondContact CA-OD2 3.41Å; T105-D531 PolarHBondContact N-OD2 2.92Å; T105-D531 VanDerWaalsContact N-OD2 3.13Å; T105-D531 PolarHBondContact OG1-OD2 3.24Å; T527-D531 VanDerWaalsContact CG2-OD2 3.32Å; T527-D531 WeakPolarHBondContact CG2-OD2 3.4Å; T527-D531 WeakPolarHBondContact O-CB 3.41Å; T527-D531 PolarHBondContact O-N 2.84Å; D531-A533 PolarHBondContact O-N 3.19Å; D531-G534 PolarHBondContact O-N 2.89Å; D531-V535 PolarHBondContact O-N 2.85Å
532	A	96.1	Very high	93.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.5	-48.6	177.5	0	0	0	0	0	111.6	V101 A116 L119 A120 A528 A536	V101-A532 HydrophobicContact CG1-CB 4.28Å; A116-A532 WeakPolarHBondContact O-CB 3.42Å; L119-A532 HydrophobicContact CB-CB 3.67Å; A120-A532 HydrophobicContact CB-CB 3.96Å; A528-A532 WeakPolarHBondContact O-CB 3.37Å; A528-A532 PolarHBondContact O-N 2.78Å; A532-A536 WeakPolarHBondContact O-CB 3.26Å; A532-A536 PolarHBondContact O-N 3.39Å
533	A	95.9	Very high	93.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68	-40.2	178.9	0	0	0	0	0	112.4	I123 V144 V148 L529 M530 D531 S537	I123-A533 HydrophobicContact CD1-CB 3.82Å; V144-A533 HydrophobicContact CG1-CB 4.04Å; V148-A533 HydrophobicContact CG2-CB 3.52Å; L529-A533 VanDerWaalsContact O-CB 3.25Å; L529-A533 WeakPolarHBondContact O-CB 3.34Å; L529-A533 PolarHBondContact O-N 3.14Å; M530-A533 PolarHBondContact O-N 2.74Å; D531-A533 PolarHBondContact O-N 3.19Å; A533-S537 WeakPolarHBondContact O-CB 3.46Å; A533-S537 PolarHBondContact O-N 3Å; A533-S537 PolarHBondContact O-OG 3.47Å
534	G	93.8	Very high	93.1	Very high	24 Å²	24	26 Å²	26	25%	0.247	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-50.8	178.9	0	0	0	0	0	112.3	M530 D531 S537 L538	M530-G534 PolarHBondContact O-N 3.38Å; D531-G534 PolarHBondContact O-N 2.89Å; G534-S537 PolarHBondContact O-OG 3.07Å; G534-L538 PolarHBondContact O-N 3.29Å
535	V	92.8	Very high	93	Very high	30 Å²	30	26.1 Å²	26.1	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-77.8	-44.6	-178.3	-179.8	0	0	0	0	112	L97 V101 D531 S537 L538 L539	L97-V535 HydrophobicContact CB-CG1 4.05Å; L97-V535 HydrophobicContact CD2-CG1 4.42Å; V101-V535 HydrophobicContact CG2-CB 3.37Å; V101-V535 HydrophobicContact CG2-CG1 3.77Å; V101-V535 HydrophobicContact CG2-CG2 3.52Å; D531-V535 PolarHBondContact O-N 2.85Å; V535-S537 PolarHBondContact O-N 3.02Å; V535-L538 PolarHBondContact O-N 3.46Å; V535-L539 WeakPolarHBondContact O-CB 3.49Å; V535-L539 PolarHBondContact O-N 2.94Å
536	A	92.3	Very high	92.9	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-35.5	-177.4	0	0	0	0	0	112.7	A120 I123 A124 A532 L538 L539 S540	A120-A536 HydrophobicContact CB-CB 4.39Å; A120-A536 WeakPolarHBondContact O-CB 3.46Å; I123-A536 HydrophobicContact CB-CB 3.73Å; I123-A536 HydrophobicContact CG2-CB 3.64Å; A124-A536 HydrophobicContact CB-CB 4.21Å; A532-A536 WeakPolarHBondContact O-CB 3.26Å; A532-A536 PolarHBondContact O-N 3.39Å; A536-L538 VanDerWaalsContact C-N 3.35Å; A536-L539 PolarHBondContact O-N 3.43Å; A536-S540 PolarHBondContact O-N 3.17Å; A536-S540 PolarHBondContact O-OG 3.34Å
537	S	90.4	Very high	92.7	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-35.4	174	68.8	0	0	0	0	111.9	A533 G534 V535 S540 T541	A533-S537 WeakPolarHBondContact O-CB 3.46Å; A533-S537 PolarHBondContact O-N 3Å; A533-S537 PolarHBondContact O-OG 3.47Å; G534-S537 PolarHBondContact O-OG 3.07Å; V535-S537 PolarHBondContact O-N 3.02Å; S537-S540 WeakPolarHBondContact O-CB 3.43Å; S537-S540 PolarHBondContact O-N 3.25Å; S537-T541 WeakPolarHBondContact O-CG2 3.44Å; S537-T541 PolarHBondContact O-N 2.84Å
538	L	89	Confident	92.4	Very high	91 Å²	91	32.6 Å²	32.6	48%	0.476	19%	0.19	S	C	.	.	H	α-helix	trans	-68	-45.1	174.4	-175.1	67.4	0	0	0	111.3	G534 V535 A536 S540 T541	G534-L538 PolarHBondContact O-N 3.29Å; V535-L538 PolarHBondContact O-N 3.46Å; A536-L538 VanDerWaalsContact C-N 3.35Å; L538-S540 PolarHBondContact O-N 2.87Å; L538-T541 PolarHBondContact O-N 3.24Å; L538-T541 PolarHBondContact O-OG1 2.98Å
539	L	88.1	Confident	91.9	Very high	10 Å²	10	36 Å²	36	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-39.6	174.4	173.8	58.2	0	0	0	111.2	M40 V44 L97 A124 F128 V535 A536 T541 A542	M40-L539 HydrophobicContact CB-CD1 4.47Å; M40-L539 HydrophobicContact CE-CD1 3.86Å; M40-L539 HydrophobicContact SD-CD1 3.62Å; V44-L539 HydrophobicContact CG2-CD2 3.92Å; L97-L539 HydrophobicContact CD1-CB 4.42Å; L97-L539 HydrophobicContact CD1-CD1 3.67Å; L97-L539 HydrophobicContact CD1-CD2 4.49Å; L97-L539 HydrophobicContact CD1-CG 4.4Å; A124-L539 HydrophobicContact CB-CD2 4.2Å; F128-L539 HydrophobicContact CE1-CG 4.28Å; F128-L539 WeakPolarHBondContact CE1-O 3.43Å; F128-L539 HydrophobicContact CE2-CD2 4.49Å; F128-L539 HydrophobicContact CE2-CG 4.45Å; F128-L539 HydrophobicContact CZ-CD1 3.96Å; F128-L539 HydrophobicContact CZ-CD2 4.14Å; F128-L539 HydrophobicContact CZ-CG 3.64Å; V535-L539 WeakPolarHBondContact O-CB 3.49Å; V535-L539 PolarHBondContact O-N 2.94Å; A536-L539 PolarHBondContact O-N 3.43Å; L539-T541 PolarHBondContact O-N 3.03Å; L539-A542 WeakPolarHBondContact O-CB 3.31Å; L539-A542 PolarHBondContact O-N 3.39Å
540	S	85.9	Confident	90.8	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-28.4	176.4	-59.7	0	0	0	0	113	I131 A536 S537 L538 A542	I131-S540 WeakPolarHBondContact CD1-O 2.91Å; A536-S540 PolarHBondContact O-N 3.17Å; A536-S540 PolarHBondContact O-OG 3.34Å; S537-S540 WeakPolarHBondContact O-CB 3.43Å; S537-S540 PolarHBondContact O-N 3.25Å; L538-S540 PolarHBondContact O-N 2.87Å; S540-A542 VanDerWaalsContact C-N 3.3Å; S540-A542 PolarHBondContact O-N 2.84Å
541	T	89.4	Confident	89.7	Confident	43 Å²	43	44.4 Å²	44.4	26%	0.264	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.7	179	66.3	0	0	0	0	115.2	P137 R141 S537 L538 L539 E543	P137-T541 HydrophobicContact CB-CG2 4.15Å; R141-T541 HydrophobicContact CB-CG2 4.4Å; S537-T541 WeakPolarHBondContact O-CG2 3.44Å; S537-T541 PolarHBondContact O-N 2.84Å; L538-T541 PolarHBondContact O-N 3.24Å; L538-T541 PolarHBondContact O-OG1 2.98Å; L539-T541 PolarHBondContact O-N 3.03Å; T541-E543 PolarHBondContact O-N 2.99Å
542	A	88.9	Confident	88	Confident	29 Å²	29	51.8 Å²	51.8	24%	0.24	29%	0.289	C	S	.	.			trans	-74	125.7	-176.5	0	0	0	0	0	112.7	R37 M40 L539 S540	R37-A542 PolarHBondContact NH1-O 2.97Å; M40-A542 HydrophobicContact CE-CB 4.23Å; L539-A542 WeakPolarHBondContact O-CB 3.31Å; L539-A542 PolarHBondContact O-N 3.39Å; S540-A542 VanDerWaalsContact C-N 3.3Å; S540-A542 PolarHBondContact O-N 2.84Å
543	E	89.6	Confident	85.8	Confident	110 Å²	110	60.6 Å²	60.6	51%	0.514	33%	0.33	S	S	.	.			trans	-108.6	-21.9	175.9	-171.8	54.2	-148.2	0	0	113.4	F32 G33 R37 T541	F32-E543 CarbonylContact C-O 3.5Å; F32-E543 VanDerWaalsContact CA-O 3.31Å; F32-E543 WeakPolarHBondContact CA-O 3.47Å; G33-E543 WeakPolarHBondContact CA-OE1 3.39Å; G33-E543 PolarHBondContact N-O 3.27Å; G33-E543 PolarHBondContact N-OE1 3.18Å; R37-E543 IonicContact CZ-OE2 2.86Å; R37-E543 IonicContact NH1-OE2 2.65Å; R37-E543 PolarHBondContact NH1-OE2 3.43Å; R37-E543 IonicContact NH2-OE2 3.16Å; T541-E543 PolarHBondContact O-N 2.99Å
544	A	93	Very high	83.2	Confident	51 Å²	51	69.4 Å²	69.4	42%	0.421	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.4	175.8	0	0	0	0	0	110.4	K31 F32	K31-A544 WeakPolarHBondContact O-CA 3.05Å; F32-A544 HydrophobicContact CD1-CB 3.67Å; F32-A544 HydrophobicContact CE1-CB 3.75Å
545	V	93.4	Very high	80.5	Confident	11 Å²	11	76.5 Å²	76.5	7%	0.067	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.6	176.8	-178	0	0	0	0	108.7	V30 K31 A36 M40 Y90 I93 T547	V30-V545 WeakPolarHBondContact CA-O 3.28Å; K31-V545 PolarHBondContact N-O 3.5Å; K31-V545 PolarHBondContact O-N 2.75Å; A36-V545 HydrophobicContact CB-CB 4.25Å; A36-V545 HydrophobicContact CB-CG2 3.87Å; M40-V545 HydrophobicContact CE-CG2 3.62Å; M40-V545 HydrophobicContact CG-CG2 4.46Å; M40-V545 HydrophobicContact SD-CG2 3.54Å; M40-V545 VanDerWaalsContact SD-CG2 3.54Å; Y90-V545 HydrophobicContact CD1-CB 3.87Å; Y90-V545 HydrophobicContact CD1-CG1 3.57Å; Y90-V545 HydrophobicContact CE1-CB 3.75Å; Y90-V545 HydrophobicContact CE1-CG1 3.67Å; Y90-V545 WeakPolarHBondContact CE1-O 3.29Å; I93-V545 HydrophobicContact CD1-CG1 3.55Å; V545-T547 HydrophobicContact CG1-CG2 4.17Å
546	V	93.9	Very high	78.4	Confident	89 Å²	89	80.9 Å²	80.9	54%	0.539	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	-177.4	-175.2	0	0	0	0	108.7	K28 D29 V30	K28-V546 HydrophobicContact CB-CG1 3.74Å; K28-V546 HydrophobicContact CG-CG1 4.11Å; D29-V546 WeakPolarHBondContact O-CA 3.42Å; V30-V546 HydrophobicContact CG1-CG2 4.24Å; V30-V546 HydrophobicContact CG2-CG1 4.24Å; V30-V546 HydrophobicContact CG2-CG2 4.2Å
547	T	93	Very high	76	Confident	9 Å²	9	85.5 Å²	85.5	6%	0.055	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.5	-179.7	70	0	0	0	0	111.3	K28 D29 K89 Y90 I93 V545	K28-T547 CarbonylContact C-O 3.45Å; K28-T547 WeakPolarHBondContact CA-O 3.15Å; K28-T547 WeakPolarHBondContact CB-O 3.39Å; K28-T547 WeakPolarHBondContact CD-O 3.31Å; D29-T547 PolarHBondContact N-O 2.7Å; D29-T547 PolarHBondContact O-N 2.82Å; K89-T547 HydrophobicContact CB-CG2 3.81Å; Y90-T547 HydrophobicContact CD1-CG2 4.01Å; Y90-T547 HydrophobicContact CD2-CG2 4.2Å; Y90-T547 HydrophobicContact CE1-CG2 3.77Å; Y90-T547 HydrophobicContact CE2-CG2 3.97Å; Y90-T547 HydrophobicContact CG-CG2 4.19Å; I93-T547 HydrophobicContact CD1-CG2 3.66Å; V545-T547 HydrophobicContact CG1-CG2 4.17Å
548	E	90	Very high	73.7	Confident	94 Å²	94	94.1 Å²	94.1	44%	0.439	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.8	168.3	-49.6	-147.2	125.1	0	0	109.9	K28 P550	K28-E548 IonicContact NZ-OE1 3.85Å; K28-E548 PolarHBondContact NZ-OE1 2.75Å; E548-P550 WeakPolarHBondContact O-CD 3.13Å
549	V	84.8	Confident	71.3	Confident	71 Å²	71	93.2 Å²	93.2	43%	0.43	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61.6	127.3	170.5	176.1	0	0	0	0	108.4	A27 D29 K551	A27-V549 HydrophobicContact CB-CG2 3.99Å; A27-V549 VanDerWaalsContact O-CG2 3.26Å; A27-V549 WeakPolarHBondContact O-CG2 3.21Å; A27-V549 PolarHBondContact O-N 2.95Å; D29-V549 HydrophobicContact CB-CG2 4.41Å; V549-K551 PolarHBondContact O-N 3.07Å
550	P	75.9	Confident	68.8	Low	91 Å²	91	96.7 Å²	96.7	59%	0.591	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-53.9	129.8	176.9	-24.8	33.4	0	0	0	110.4	E548 E552	E548-P550 WeakPolarHBondContact O-CD 3.13Å; P550-E552 PolarHBondContact O-N 2.8Å
551	K	72.9	Confident	66.7	Low	149 Å²	149	105.6 Å²	105.6	65%	0.648	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-71	125.6	172.2	-66	178.4	-175.6	170.2	0	107.7	V549 E553	V549-K551 PolarHBondContact O-N 3.07Å; K551-E553 PolarHBondContact O-N 3.37Å; K551-E553 VanDerWaalsContact O-N 3.17Å
552	E	59.5	Low	64.1	Low	173 Å²	173	107.1 Å²	107.1	81%	0.808	62%	0.623	S	S	*	*			trans	-63.9	113.8	158.4	-70.6	-176.1	165.9	0	0	107	P550 K554	P550-E552 PolarHBondContact O-N 2.8Å; E552-K554 VanDerWaalsContact C-N 3.27Å; E552-K554 PolarHBondContact O-N 3.12Å
553	E	49.1	Very low	61.6	Low	186 Å²	186	109.3 Å²	109.3	87%	0.869	65%	0.649	S	S	*	*			trans	-66.4	94.3	167.3	-72.4	-176.5	168.6	0	0	107.3	K551 E555	K551-E553 PolarHBondContact O-N 3.37Å; K551-E553 VanDerWaalsContact O-N 3.17Å; E553-E555 PolarHBondContact O-N 3.41Å; E553-E555 VanDerWaalsContact O-N 3.08Å
554	K	40.8	Very low	59.2	Low	184 Å²	184	113.7 Å²	113.7	80%	0.8	67%	0.671	S	S	*	*			trans	-67	105.1	157.6	-72.9	-172.7	178.6	-177.8	0	105.7	E552	E552-K554 VanDerWaalsContact C-N 3.27Å; E552-K554 PolarHBondContact O-N 3.12Å
555	E	38.8	Very low	56.4	Low	174 Å²	174	115.2 Å²	115.2	81%	0.813	69%	0.692	S	S	*	*			trans	-44.7	134.1	164.7	-71.4	-174.1	160.5	0	0	108.3	E553 A557	E553-E555 PolarHBondContact O-N 3.41Å; E553-E555 VanDerWaalsContact O-N 3.08Å; E555-A557 PolarHBondContact O-N 2.84Å
556	P	47	Very low	53.7	Low	121 Å²	121	118.7 Å²	118.7	79%	0.786	73%	0.73	S	S	*	*			trans	-59.4	116.3	173.6	-0.8	9.3	0	0	0	106.8	M558	P556-M558 VanDerWaalsContact C-N 3.32Å; P556-M558 PolarHBondContact O-N 2.68Å
557	A	42	Very low	50.9	Low	100 Å²	100	118.2 Å²	118.2	83%	0.826	74%	0.744	S	S	*	*			trans	-55	100.8	169.8	0	0	0	0	0	107.7	E555 G559	E555-A557 PolarHBondContact O-N 2.84Å; A557-G559 PolarHBondContact O-N 3.42Å
558	M	41.8	Very low	48.2	Very low	185 Å²	185	127.5 Å²	127.5	91%	0.911	79%	0.789	S	S	*	*			trans	-55.6	108.3	165.9	-87.9	-99.5	-100.1	0	0	106.3	P556 G560	P556-M558 VanDerWaalsContact C-N 3.32Å; P556-M558 PolarHBondContact O-N 2.68Å; M558-G560 PolarHBondContact O-N 2.82Å; M558-G560 VanDerWaalsContact O-N 3.16Å
559	G	38.8	Very low	45.5	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	81%	0.805	S	S	*	*			trans	-53.6	121	177.1	0	0	0	0	0	109.4	A557 M561	A557-G559 PolarHBondContact O-N 3.42Å; G559-M561 PolarHBondContact O-N 3.01Å
560	G	36.3	Very low	43.1	Very low	83 Å²	83	127.5 Å²	127.5	86%	0.856	83%	0.828	S	S	*	*			trans	-62.7	95.4	172.2	0	0	0	0	0	110.2	M558 G562	M558-G560 PolarHBondContact O-N 2.82Å; M558-G560 VanDerWaalsContact O-N 3.16Å; G560-G562 VanDerWaalsContact C-N 3.28Å; G560-G562 PolarHBondContact O-N 2.76Å
561	M	40.9	Very low	40.9	Very low	192 Å²	192	126.7 Å²	126.7	95%	0.946	84%	0.837	S	S	*	*			trans	-78.7	87.8	156.1	-115.8	168.8	173.7	0	0	106.6	G559 G563	G559-M561 PolarHBondContact O-N 3.01Å; M561-G563 PolarHBondContact O-N 2.91Å
562	G	36.6	Very low	39.1	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	85%	0.846	S	S	*	*			trans	-61	127.4	171.9	0	0	0	0	0	110.1	G560	G560-G562 VanDerWaalsContact C-N 3.28Å; G560-G562 PolarHBondContact O-N 2.76Å
563	G	36.1	Very low	38	Very low	76 Å²	76	132.4 Å²	132.4	78%	0.784	86%	0.864	S	S	*	*			trans	-71.3	145.2	-167.5	0	0	0	0	0	114.3	M561 G565	M561-G563 PolarHBondContact O-N 2.91Å; G563-G565 PolarHBondContact O-N 2.82Å
564	M	37.7	Very low	37.5	Very low	201 Å²	201	129.8 Å²	129.8	99%	0.99	86%	0.864	S	S	*	*			trans	-71.9	97.4	169	-156.7	162.3	176.2	0	0	108.1	G566	M564-G566 PolarHBondContact O-N 3.3Å
565	G	34.4	Very low	37.3	Very low	84 Å²	84	126.9 Å²	126.9	87%	0.866	87%	0.867	S	S	*	*			trans	-80.5	97.7	176.5	0	0	0	0	0	111.6	G563	G563-G565 PolarHBondContact O-N 2.82Å
566	G	36.7	Very low	37.2	Very low	84 Å²	84	124.3 Å²	124.3	87%	0.866	87%	0.87	S	S	*	*			trans	-92.9	110.3	163.5	0	0	0	0	0	110.1	M564	M564-G566 PolarHBondContact O-N 3.3Å
567	G	34.9	Very low	36.7	Very low	79 Å²	79	124.5 Å²	124.5	81%	0.814	88%	0.875	S	S	*	*			trans	-136.4	90.2	174.8	0	0	0	0	0	109.8
568	M	37.1	Very low	36.3	Very low	204 Å²	204	126 Å²	126	100%	1.005	88%	0.878	S	S	*	*			trans	-85.7	113.9	177.8	-161.4	167.1	170.8	0	0	108.2
569	G	32.5	Very low	36	Very low	76 Å²	76	122.1 Å²	122.1	78%	0.784	88%	0.876	S	S	*	*			trans	-127	113.2	176.2	0	0	0	0	0	111.2
570	G	34.4	Very low	35.7	Very low	89 Å²	89	125.6 Å²	125.6	92%	0.918	89%	0.885	S	S	*	*			trans	68.3	113.4	139.8	0	0	0	0	0	120.5
571	G	30.4	Very low	35.7	Very low	74 Å²	74	128.9 Å²	128.9	76%	0.763	89%	0.888	S	S	*	*			trans	175.1	96.1	155	0	0	0	0	0	109.9
572	M	35.7	Very low	35.3	Very low	172 Å²	172	123.7 Å²	123.7	85%	0.847	88%	0.883	S	S	*	*				90.4	113.5	92.1	-112.2	177.2	175.3	0	0	112.9
573	F	36.9	Very low	35.2	Very low	270 Å²	270	128.1 Å²	128.1	100%	1.184	89%	0.893	S	S	*	*			trans	72.8	0	168.6	-64.3	-77.3	0	0	0	119.4

Retrieved 573 of 573 residues in 413 ms (Link to these results)

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