A0A088Q2J5_BOSMU 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 A0A088Q2J5, Species BOSMU (Bos mutus grunniens, Wild yak), Gene HSPD1, Length 573 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	38.9	Very low	242 Å²	242	173.4 Å²	173.4	100%	1.192	87%	0.872	S	S	*	*				0	112.9	0	-69.9	172.9	170.3	0	0	107.3
2	L	38.6	Very low	38.7	Very low	155 Å²	155	177.2 Å²	177.2	81%	0.812	87%	0.868	S	S	*	*			cis	-150.6	117.6	-2.5	-121.4	143.6	0	0	0	104.4	L4	L2-L4 HydrophobicContact CD2-CD1 4.12Å
3	R	39.4	Very low	38.9	Very low	247 Å²	247	171.4 Å²	171.4	93%	0.932	85%	0.852	S	S	*	*			trans	-84.7	134.9	164.1	-88.5	-178.5	171.2	-179.6	-2.2	107.2
4	L	36.1	Very low	39.1	Very low	155 Å²	155	168.3 Å²	168.3	81%	0.812	85%	0.847	S	S	*	*			trans	-148.7	152.1	155	-94.4	154.5	0	0	0	108.9	L2	L2-L4 HydrophobicContact CD2-CD1 4.12Å
5	P	42.8	Very low	39.2	Very low	112 Å²	112	163.7 Å²	163.7	73%	0.727	84%	0.837	S	S	*	*			trans	-124.1	-178.3	-136.2	25.5	-1.3	0	0	0	113.6	V7	P5-V7 PolarHBondContact O-N 3.05Å
6	A	47.3	Very low	39.3	Very low	93 Å²	93	167.3 Å²	167.3	77%	0.769	84%	0.837	S	S	*	*			trans	-44.3	126.9	177.5	0	0	0	0	0	115.2
7	V	40.6	Very low	39.5	Very low	138 Å²	138	162.6 Å²	162.6	84%	0.836	83%	0.83	S	S	*	*			trans	-131.5	83.3	149.6	-176.1	0	0	0	0	108.3	P5 R9	P5-V7 PolarHBondContact O-N 3.05Å; V7-R9 PolarHBondContact O-N 3.21Å
8	L	39.5	Very low	39.8	Very low	167 Å²	167	162.4 Å²	162.4	87%	0.874	83%	0.83	S	S	*	*			trans	-68.9	107.7	150	-104.3	154.6	0	0	0	107.1
9	R	37.1	Very low	39.8	Very low	231 Å²	231	157.8 Å²	157.8	87%	0.872	82%	0.819	S	S	*	*			trans	-172.6	133.8	143.4	-113.9	171.7	175.2	-174	-1.4	111.3	V7	V7-R9 PolarHBondContact O-N 3.21Å
10	Q	37.1	Very low	39.9	Very low	175 Å²	175	154.8 Å²	154.8	82%	0.818	81%	0.809	S	S	*	*			trans	84.7	54.6	168.5	-56.1	-174.9	-4.6	0	0	117.3	R12	Q10-R12 VanDerWaalsContact C-N 3.32Å; Q10-R12 PolarHBondContact O-N 3.32Å; Q10-R12 VanDerWaalsContact O-N 3.15Å
11	M	33.1	Very low	39.9	Very low	192 Å²	192	156.1 Å²	156.1	95%	0.946	81%	0.811	S	S	*	*			trans	-65.8	97.6	137.9	-79.5	-178.2	157.5	0	0	108.4
12	R	36.8	Very low	40.1	Very low	219 Å²	219	151.6 Å²	151.6	83%	0.826	79%	0.791	S	S	*	*			trans	-91	111.5	148.1	-82.8	-176.8	174.3	-179.6	-1	105.6	Q10 V14	Q10-R12 VanDerWaalsContact C-N 3.32Å; Q10-R12 PolarHBondContact O-N 3.32Å; Q10-R12 VanDerWaalsContact O-N 3.15Å; R12-V14 PolarHBondContact O-N 3.19Å; R12-V14 VanDerWaalsContact O-N 3.1Å
13	P	40.9	Very low	40.3	Very low	102 Å²	102	150.1 Å²	150.1	66%	0.662	79%	0.789	S	S	*	*			trans	-64.9	115.9	156.2	28.5	-26.3	0	0	0	104.6	S15	P13-S15 PolarHBondContact O-N 3.46Å
14	V	41.5	Very low	40.8	Very low	128 Å²	128	147 Å²	147	78%	0.776	78%	0.777	S	S	*	*			trans	-66.3	81.3	157	178.5	0	0	0	0	104.3	R12 R16	R12-V14 PolarHBondContact O-N 3.19Å; R12-V14 VanDerWaalsContact O-N 3.1Å; V14-R16 HydrophobicContact CG1-CB 4.47Å; V14-R16 PolarHBondContact O-N 3.18Å
15	S	40.7	Very low	41.9	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	78%	0.776	S	S	*	*			trans	-63.8	80.7	158.2	-49.6	0	0	0	0	104.4	P13 A17	P13-S15 PolarHBondContact O-N 3.46Å; S15-A17 PolarHBondContact O-N 3.05Å
16	R	41.7	Very low	43.4	Very low	221 Å²	221	143.2 Å²	143.2	83%	0.834	76%	0.758	S	S	*	*			trans	-60.6	91.1	156.3	-142.9	178.9	-170.6	179.7	1.8	102.2	V14 L18	V14-R16 HydrophobicContact CG1-CB 4.47Å; V14-R16 PolarHBondContact O-N 3.18Å; R16-L18 PolarHBondContact O-N 2.7Å
17	A	43	Very low	45.2	Very low	87 Å²	87	142 Å²	142	72%	0.719	75%	0.749	S	S	*	*			trans	-56.4	93.3	162.5	0	0	0	0	0	103.8	S15 A19	S15-A17 PolarHBondContact O-N 3.05Å; A17-A19 PolarHBondContact O-N 2.98Å
18	L	43.4	Very low	47.6	Very low	159 Å²	159	140.4 Å²	140.4	83%	0.832	73%	0.731	S	S	*	*			trans	-56.1	83.9	144.9	-73.5	163.4	0	0	0	103	R16 P20	R16-L18 PolarHBondContact O-N 2.7Å; L18-P20 VanDerWaalsContact C-N 3.33Å; L18-P20 WeakPolarHBondContact O-CD 3.49Å
19	A	39.8	Very low	50.2	Low	75 Å²	75	135.6 Å²	135.6	62%	0.62	71%	0.706	S	S	*	*			trans	-52.1	113.6	155	0	0	0	0	0	102.4	A17 H21	A17-A19 PolarHBondContact O-N 2.98Å; A19-H21 PolarHBondContact O-N 3.14Å
20	P	42.8	Very low	52.9	Low	97 Å²	97	127.3 Å²	127.3	63%	0.63	68%	0.681	S	S	*	*			trans	-53.9	123.4	162.7	24.6	-28.8	0	0	0	102.7	L18 L22	L18-P20 VanDerWaalsContact C-N 3.33Å; L18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-L22 PolarHBondContact O-N 3.06Å
21	H	39.8	Very low	55.7	Low	183 Å²	183	122.4 Å²	122.4	85%	0.847	66%	0.657	S	S	*	*			trans	-51	99.5	152.8	-82	-76.1	0	0	0	103.2	A19 T23	A19-H21 PolarHBondContact O-N 3.14Å; H21-T23 PolarHBondContact O-N 3.41Å
22	L	40.6	Very low	58.6	Low	148 Å²	148	119.7 Å²	119.7	78%	0.775	64%	0.64	S	S	*	*			trans	-64	82.6	165.7	-79.4	163	0	0	0	102.6	P20 R24	P20-L22 PolarHBondContact O-N 3.06Å; L22-R24 PolarHBondContact O-N 3.31Å
23	T	42.7	Very low	61.2	Low	123 Å²	123	109.7 Å²	109.7	76%	0.755	61%	0.605	S	S	*	*			trans	-51.3	98.3	147.6	29.7	0	0	0	0	102.9	H21 A25	H21-T23 PolarHBondContact O-N 3.41Å; T23-A25 PolarHBondContact O-N 3Å
24	R	49.3	Very low	63.5	Low	181 Å²	181	107.8 Å²	107.8	68%	0.683	60%	0.598	S	S	*	*			trans	-59.3	90.5	164.6	-83.7	-176.6	172.5	174.6	-1.9	104.5	L22 Y26	L22-R24 PolarHBondContact O-N 3.31Å; R24-Y26 HydrophobicContact CB-CD2 4.3Å; R24-Y26 HydrophobicContact CB-CE1 4.12Å; R24-Y26 HydrophobicContact CB-CE2 3.8Å; R24-Y26 WeakPolarHBondContact CD-OH 3.48Å; R24-Y26 PolarHBondContact NH1-OH 2.75Å; R24-Y26 VanDerWaalsContact O-CD2 3.27Å; R24-Y26 WeakPolarHBondContact O-CD2 3.4Å; R24-Y26 PolarHBondContact O-N 3.38Å
25	A	59.1	Low	66	Low	96 Å²	96	107 Å²	107	79%	0.793	59%	0.59	S	S	*	*			trans	-71.9	87.9	170	0	0	0	0	0	105.1	T23	T23-A25 PolarHBondContact O-N 3Å
26	Y	74.4	Confident	68.5	Low	92 Å²	92	102.3 Å²	102.3	36%	0.361	56%	0.557	S	S	.	*			trans	-62.6	136.9	172.8	-62.2	-74	0	0	0	108.3	R24 K28	R24-Y26 HydrophobicContact CB-CD2 4.3Å; R24-Y26 HydrophobicContact CB-CE1 4.12Å; R24-Y26 HydrophobicContact CB-CE2 3.8Å; R24-Y26 WeakPolarHBondContact CD-OH 3.48Å; R24-Y26 PolarHBondContact NH1-OH 2.75Å; R24-Y26 VanDerWaalsContact O-CD2 3.27Å; R24-Y26 WeakPolarHBondContact O-CD2 3.4Å; R24-Y26 PolarHBondContact O-N 3.38Å; Y26-K28 PolarHBondContact O-N 3.35Å
27	A	85.6	Confident	71	Confident	69 Å²	69	92.9 Å²	92.9	57%	0.57	52%	0.521	S	S	*	.			trans	-56.8	136.4	170.6	0	0	0	0	0	109	I549	A27-I549 HydrophobicContact CB-CD1 3.61Å; A27-I549 HydrophobicContact CB-CG1 4.38Å; A27-I549 WeakPolarHBondContact O-CG1 3.5Å; A27-I549 PolarHBondContact O-N 3.4Å
28	K	91.8	Very high	73.4	Confident	103 Å²	103	91.1 Å²	91.1	45%	0.448	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.9	-176.8	-57.2	-63.9	-176	168.8	0	109.3	Y26 V546 T547 E548	Y26-K28 PolarHBondContact O-N 3.35Å; K28-V546 HydrophobicContact CB-CG1 3.71Å; K28-V546 HydrophobicContact CD-CG1 4.39Å; K28-V546 HydrophobicContact CG-CG1 4Å; K28-T547 CarbonylContact C-O 3.55Å; K28-T547 WeakPolarHBondContact CA-O 3.43Å; K28-T547 WeakPolarHBondContact CB-O 3.42Å; K28-E548 HydrophobicContact CD-CG 3.98Å; K28-E548 IonicContact NZ-OE1 3.06Å; K28-E548 PolarHBondContact NZ-OE1 3.39Å
29	D	92.5	Very high	76	Confident	67 Å²	67	85 Å²	85	36%	0.358	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	167.4	-178.9	42.6	0	0	0	109.1	Y90 V546 T547 I549	D29-Y90 WeakPolarHBondContact OD2-CE2 3.16Å; D29-Y90 PolarHBondContact OD2-OH 3.21Å; D29-V546 CarbonylContact O-C 3.58Å; D29-V546 WeakPolarHBondContact O-CA 3.29Å; D29-T547 PolarHBondContact N-O 3.33Å; D29-T547 PolarHBondContact O-N 2.93Å; D29-I549 HydrophobicContact CB-CG1 4.19Å
30	V	95.3	Very high	78.6	Confident	57 Å²	57	81.6 Å²	81.6	35%	0.345	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.2	-174.2	-171.4	0	0	0	0	109.7	F32 V544 V545 V546	V30-F32 HydrophobicContact CB-CE2 4.2Å; V30-F32 HydrophobicContact CG1-CD2 4.22Å; V30-F32 HydrophobicContact CG1-CE1 4.49Å; V30-F32 HydrophobicContact CG1-CE2 3.49Å; V30-F32 VanDerWaalsContact CG1-CE2 3.49Å; V30-F32 HydrophobicContact CG1-CZ 3.65Å; V30-V544 HydrophobicContact CG1-CG1 3.44Å; V30-V544 VanDerWaalsContact CG1-CG1 3.44Å; V30-V545 WeakPolarHBondContact CA-O 3.23Å; V30-V546 HydrophobicContact CG1-CG2 4.18Å; V30-V546 HydrophobicContact CG2-CG1 4.26Å; V30-V546 HydrophobicContact CG2-CG2 4.13Å
31	K	95	Very high	81.2	Confident	72 Å²	72	78.3 Å²	78.3	31%	0.313	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.9	171.8	-75.8	-179.9	-179.9	-97.2	0	111.1	A36 L39 Y90 V544 V545	K31-A36 HydrophobicContact CB-CB 3.86Å; K31-L39 HydrophobicContact CD-CD1 3.59Å; K31-Y90 HydrophobicContact CB-CE1 3.77Å; K31-Y90 HydrophobicContact CD-CD1 4.28Å; K31-Y90 HydrophobicContact CD-CD2 4.06Å; K31-Y90 HydrophobicContact CD-CE1 3.86Å; K31-Y90 HydrophobicContact CD-CE2 3.6Å; K31-Y90 HydrophobicContact CD-CG 4.38Å; K31-Y90 HydrophobicContact CG-CE1 3.98Å; K31-Y90 HydrophobicContact CG-CE2 4.19Å; K31-Y90 WeakPolarHBondContact CG-OH 3.34Å; K31-V544 WeakPolarHBondContact O-CA 3.21Å; K31-V545 PolarHBondContact N-O 2.87Å; K31-V545 PolarHBondContact O-N 2.9Å
32	F	94.2	Very high	83.9	Confident	134 Å²	134	74 Å²	74	59%	0.588	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.6	-175.1	-64.2	-99.1	0	0	0	111	V30 E543 V544	V30-F32 HydrophobicContact CB-CE2 4.2Å; V30-F32 HydrophobicContact CG1-CD2 4.22Å; V30-F32 HydrophobicContact CG1-CE1 4.49Å; V30-F32 HydrophobicContact CG1-CE2 3.49Å; V30-F32 VanDerWaalsContact CG1-CE2 3.49Å; V30-F32 HydrophobicContact CG1-CZ 3.65Å; F32-E543 CarbonylContact C-O 3.58Å; F32-E543 WeakPolarHBondContact CA-O 3.44Å; F32-V544 HydrophobicContact CD1-CB 4.27Å; F32-V544 HydrophobicContact CD1-CG1 3.99Å; F32-V544 HydrophobicContact CD1-CG2 3.41Å; F32-V544 VanDerWaalsContact CD1-CG2 3.41Å; F32-V544 HydrophobicContact CE1-CB 4.32Å; F32-V544 HydrophobicContact CE1-CG1 3.74Å; F32-V544 HydrophobicContact CE1-CG2 3.57Å; F32-V544 HydrophobicContact CG-CG1 4.5Å; F32-V544 HydrophobicContact CG-CG2 4.39Å; F32-V544 HydrophobicContact CZ-CG1 4.08Å
33	G	91.3	Very high	86.6	Confident	9 Å²	9	67 Å²	67	9%	0.093	37%	0.366	C	S	.	.	H	α-helix	trans	56.5	-133.6	167	0	0	0	0	0	115.1	D35 A36 R37 E543	G33-D35 VanDerWaalsContact C-N 3.33Å; G33-D35 PolarHBondContact O-N 3.21Å; G33-A36 PolarHBondContact O-N 3.44Å; G33-R37 WeakPolarHBondContact O-CG 3.48Å; G33-R37 PolarHBondContact O-N 3.22Å; G33-R37 VanDerWaalsContact O-N 3.14Å; G33-E543 WeakPolarHBondContact CA-OE1 3.35Å; G33-E543 PolarHBondContact N-O 3.1Å
34	A	90.3	Very high	89.2	Confident	62 Å²	62	61.1 Å²	61.1	51%	0.512	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-36.3	-170.5	0	0	0	0	0	113.5	R37 A38	A34-R37 PolarHBondContact O-N 3.41Å; A34-A38 WeakPolarHBondContact O-CB 3.32Å; A34-A38 PolarHBondContact O-N 3.05Å
35	D	92.3	Very high	91.5	Very high	113 Å²	113	54.5 Å²	54.5	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-65.7	-42.2	-179.3	-69.6	-9.2	0	0	0	111.6	G33 L39	G33-D35 VanDerWaalsContact C-N 3.33Å; G33-D35 PolarHBondContact O-N 3.21Å; D35-L39 WeakPolarHBondContact O-CG 3.4Å; D35-L39 PolarHBondContact O-N 3.43Å
36	A	94	Very high	93.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-45	176	0	0	0	0	0	110.9	K31 G33 A38 L39 M40 V545	K31-A36 HydrophobicContact CB-CB 3.86Å; G33-A36 PolarHBondContact O-N 3.44Å; A36-A38 PolarHBondContact O-N 3.17Å; A36-L39 PolarHBondContact O-N 2.98Å; A36-M40 WeakPolarHBondContact O-CG 3.49Å; A36-M40 PolarHBondContact O-N 3.33Å; A36-V545 HydrophobicContact CB-CB 4.25Å; A36-V545 HydrophobicContact CB-CG2 3.84Å
37	R	93.4	Very high	94.5	Very high	23 Å²	23	50 Å²	50	9%	0.087	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-44.3	177.5	-71.6	-170.8	-80.6	-97.8	3.5	112.5	G33 A34 L39 M40 L41 F128 A542 E543	G33-R37 WeakPolarHBondContact O-CG 3.48Å; G33-R37 PolarHBondContact O-N 3.22Å; G33-R37 VanDerWaalsContact O-N 3.14Å; A34-R37 PolarHBondContact O-N 3.41Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 3.05Å; R37-M40 HydrophobicContact CG-CE 4.39Å; R37-M40 PolarHBondContact O-N 2.78Å; R37-L41 VanDerWaalsContact O-CB 3.31Å; R37-L41 WeakPolarHBondContact O-CB 3.46Å; R37-L41 PolarHBondContact O-N 3.36Å; R37-F128 HydrophobicContact CB-CD1 4Å; R37-F128 HydrophobicContact CB-CE1 4.01Å; R37-F128 HydrophobicContact CB-CG 4.23Å; R37-F128 HydrophobicContact CB-CZ 4.29Å; R37-F128 HydrophobicContact CG-CD1 3.72Å; R37-F128 HydrophobicContact CG-CE1 3.55Å; R37-F128 HydrophobicContact CG-CG 4.45Å; R37-F128 HydrophobicContact CG-CZ 4.19Å; R37-A542 PolarHBondContact NH1-O 3.46Å; R37-E543 IonicContact CZ-OE2 2.87Å; R37-E543 IonicContact NH1-OE2 3.07Å; R37-E543 PolarHBondContact NH1-OE2 3.35Å; R37-E543 IonicContact NH2-OE2 3.05Å
38	A	94.8	Very high	95.1	Very high	49 Å²	49	46.7 Å²	46.7	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-41.3	179.3	0	0	0	0	0	112	A34 A36 L41 Q42	A34-A38 WeakPolarHBondContact O-CB 3.32Å; A34-A38 PolarHBondContact O-N 3.05Å; A36-A38 PolarHBondContact O-N 3.17Å; A38-L41 PolarHBondContact O-N 2.98Å; A38-Q42 WeakPolarHBondContact O-CG 3.46Å; A38-Q42 PolarHBondContact O-N 3.07Å
39	L	96.4	Very high	95.4	Very high	31 Å²	31	46 Å²	46	16%	0.162	25%	0.25	C	S	.	.	H	α-helix	trans	-69	-42.5	177.1	-72.2	168.5	0	0	0	112.5	K31 D35 A36 R37 L41 Q42 G43 Y90 K91	K31-L39 HydrophobicContact CD-CD1 3.59Å; D35-L39 WeakPolarHBondContact O-CG 3.4Å; D35-L39 PolarHBondContact O-N 3.43Å; A36-L39 PolarHBondContact O-N 2.98Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 3.05Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-Q42 PolarHBondContact O-N 3.37Å; L39-G43 PolarHBondContact O-N 3.37Å; L39-Y90 HydrophobicContact CB-CG 4.37Å; L39-Y90 HydrophobicContact CD1-CD2 4Å; L39-Y90 HydrophobicContact CD1-CG 4.06Å; L39-K91 WeakPolarHBondContact O-CG 3.49Å
40	M	96	Very high	95.6	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-43.9	174.3	-71.3	-172.9	-64.2	0	0	111.2	A36 R37 Q42 G43 V44 I93 F128 L539 A542 V545	A36-M40 WeakPolarHBondContact O-CG 3.49Å; A36-M40 PolarHBondContact O-N 3.33Å; R37-M40 HydrophobicContact CG-CE 4.39Å; R37-M40 PolarHBondContact O-N 2.78Å; M40-Q42 VanDerWaalsContact C-N 3.32Å; M40-Q42 PolarHBondContact O-N 3.48Å; M40-G43 WeakPolarHBondContact O-CA 3.28Å; M40-G43 PolarHBondContact O-N 3.29Å; M40-V44 WeakPolarHBondContact O-CG2 3.34Å; M40-V44 PolarHBondContact O-N 2.91Å; M40-I93 HydrophobicContact SD-CG2 4.12Å; M40-F128 HydrophobicContact CE-CZ 4.17Å; M40-L539 HydrophobicContact CE-CD1 4.01Å; M40-L539 HydrophobicContact SD-CD1 3.71Å; M40-A542 HydrophobicContact CE-CB 4.08Å; M40-V545 HydrophobicContact CE-CG2 3.62Å; M40-V545 HydrophobicContact SD-CG2 3.57Å; M40-V545 VanDerWaalsContact SD-CG2 3.57Å
41	L	96	Very high	95.7	Very high	29 Å²	29	41.6 Å²	41.6	15%	0.152	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-39	178.2	-175.8	60	0	0	0	111.9	R37 A38 L39 G43 V44 D45 K125 F128	R37-L41 VanDerWaalsContact O-CB 3.31Å; R37-L41 WeakPolarHBondContact O-CB 3.46Å; R37-L41 PolarHBondContact O-N 3.36Å; A38-L41 PolarHBondContact O-N 2.98Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L41-G43 PolarHBondContact O-N 3.14Å; L41-V44 HydrophobicContact CD1-CB 4.48Å; L41-V44 HydrophobicContact CD1-CG1 4.48Å; L41-V44 WeakPolarHBondContact O-CB 3.23Å; L41-V44 PolarHBondContact O-N 2.9Å; L41-D45 WeakPolarHBondContact O-CB 3.19Å; L41-D45 PolarHBondContact O-N 3.29Å; L41-K125 HydrophobicContact CD1-CB 4.13Å; L41-K125 HydrophobicContact CD2-CG 4.49Å; L41-F128 HydrophobicContact CB-CD2 3.95Å; L41-F128 HydrophobicContact CB-CE2 4.07Å; L41-F128 HydrophobicContact CD1-CD2 4.13Å; L41-F128 HydrophobicContact CD1-CE2 4.49Å; L41-F128 HydrophobicContact CD2-CD2 4.27Å; L41-F128 HydrophobicContact CG-CD2 4.34Å
42	Q	97.8	Very high	95.8	Very high	92 Å²	92	38.6 Å²	38.6	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-59.7	-36	173.1	-74.6	176.8	22.6	0	0	112.7	A38 L39 M40 L46 K91	A38-Q42 WeakPolarHBondContact O-CG 3.46Å; A38-Q42 PolarHBondContact O-N 3.07Å; L39-Q42 PolarHBondContact O-N 3.37Å; M40-Q42 VanDerWaalsContact C-N 3.32Å; M40-Q42 PolarHBondContact O-N 3.48Å; Q42-L46 VanDerWaalsContact O-CB 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.38Å; Q42-L46 PolarHBondContact O-N 3.2Å; Q42-L46 VanDerWaalsContact O-N 3.07Å; Q42-K91 HydrophobicContact CB-CD 4.38Å; Q42-K91 HydrophobicContact CB-CG 4.4Å
43	G	97.1	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-43.5	174.6	0	0	0	0	0	113	L39 M40 L41 L47 K91	L39-G43 PolarHBondContact O-N 3.37Å; M40-G43 WeakPolarHBondContact O-CA 3.28Å; M40-G43 PolarHBondContact O-N 3.29Å; L41-G43 PolarHBondContact O-N 3.14Å; G43-L47 PolarHBondContact O-N 3.07Å; G43-L47 VanDerWaalsContact O-N 3.16Å; G43-K91 WeakPolarHBondContact CA-O 3.38Å
44	V	97.5	Very high	96.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-50.6	173.7	168.9	0	0	0	0	110.8	M40 L41 L47 A48 V98 R121 A124 L539	M40-V44 WeakPolarHBondContact O-CG2 3.34Å; M40-V44 PolarHBondContact O-N 2.91Å; L41-V44 HydrophobicContact CD1-CB 4.48Å; L41-V44 HydrophobicContact CD1-CG1 4.48Å; L41-V44 WeakPolarHBondContact O-CB 3.23Å; L41-V44 PolarHBondContact O-N 2.9Å; V44-L47 PolarHBondContact O-N 3.03Å; V44-A48 WeakPolarHBondContact O-CB 3.38Å; V44-A48 PolarHBondContact O-N 3.03Å; V44-V98 HydrophobicContact CB-CG2 4.11Å; V44-V98 HydrophobicContact CG1-CG2 3.83Å; V44-V98 HydrophobicContact CG2-CG2 3.81Å; V44-R121 HydrophobicContact CG1-CB 4.13Å; V44-R121 HydrophobicContact CG1-CG 4.18Å; V44-A124 HydrophobicContact CG1-CB 4.34Å; V44-L539 HydrophobicContact CG2-CD2 3.91Å
45	D	97.9	Very high	96.6	Very high	41 Å²	41	32.1 Å²	32.1	22%	0.219	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-46.1	-178.9	-78.5	-26.6	0	0	0	111.2	L41 L47 A48 D49 R121	L41-D45 WeakPolarHBondContact O-CB 3.19Å; L41-D45 PolarHBondContact O-N 3.29Å; D45-L47 PolarHBondContact O-N 2.59Å; D45-A48 PolarHBondContact O-N 3.47Å; D45-D49 VanDerWaalsContact O-CB 3.22Å; D45-D49 WeakPolarHBondContact O-CB 3.48Å; D45-D49 PolarHBondContact O-N 3.29Å; D45-R121 WeakPolarHBondContact OD1-CD 3.36Å; D45-R121 WeakPolarHBondContact OD1-CG 3.39Å
46	L	98.1	Very high	96.7	Very high	93 Å²	93	27.8 Å²	27.8	49%	0.487	16%	0.163	S	C	.	.	H	α-helix	trans	-59.6	-46.7	179.9	178	60.9	0	0	0	112.1	Q42 A50 L86	Q42-L46 VanDerWaalsContact O-CB 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.38Å; Q42-L46 PolarHBondContact O-N 3.2Å; Q42-L46 VanDerWaalsContact O-N 3.07Å; L46-A50 PolarHBondContact O-N 2.92Å; L46-L86 HydrophobicContact CD2-CD1 3.95Å; L46-L86 HydrophobicContact CD2-CD2 3.45Å; L46-L86 VanDerWaalsContact CD2-CD2 3.45Å; L46-L86 HydrophobicContact CD2-CG 4.39Å; L46-L86 HydrophobicContact CG-CD2 4.48Å
47	L	97.3	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-46	178.7	-173.7	148.2	0	0	0	111.1	G43 V44 D45 D49 A50 V51 A81 I84 A95 V98 Q99 T117	G43-L47 PolarHBondContact O-N 3.07Å; G43-L47 VanDerWaalsContact O-N 3.16Å; V44-L47 PolarHBondContact O-N 3.03Å; D45-L47 PolarHBondContact O-N 2.59Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 2.91Å; L47-A50 PolarHBondContact O-N 3.27Å; L47-V51 HydrophobicContact CD2-CG2 4.04Å; L47-V51 WeakPolarHBondContact O-CG2 3.27Å; L47-V51 PolarHBondContact O-N 2.94Å; L47-A81 HydrophobicContact CD1-CB 4.45Å; L47-A81 HydrophobicContact CD2-CB 4Å; L47-I84 HydrophobicContact CD1-CB 4.14Å; L47-I84 HydrophobicContact CD1-CG2 4.3Å; L47-I84 HydrophobicContact CG-CB 4.5Å; L47-I84 HydrophobicContact CG-CD1 4.17Å; L47-A95 HydrophobicContact CB-CB 4.37Å; L47-A95 HydrophobicContact CD1-CB 3.89Å; L47-V98 HydrophobicContact CD2-CB 4Å; L47-V98 HydrophobicContact CD2-CG1 3.55Å; L47-Q99 HydrophobicContact CD1-CG 3.55Å; L47-T117 HydrophobicContact CD2-CG2 4.15Å
48	A	97.7	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-32.1	-178.4	0	0	0	0	0	112.8	V44 D45 V51 A52 T117 R121	V44-A48 WeakPolarHBondContact O-CB 3.38Å; V44-A48 PolarHBondContact O-N 3.03Å; D45-A48 PolarHBondContact O-N 3.47Å; A48-V51 PolarHBondContact O-N 2.79Å; A48-A52 WeakPolarHBondContact O-CB 3.25Å; A48-A52 PolarHBondContact O-N 2.92Å; A48-T117 HydrophobicContact CB-CG2 3.8Å; A48-R121 HydrophobicContact CB-CB 3.71Å; A48-R121 HydrophobicContact CB-CG 3.98Å
49	D	98.2	Very high	96.8	Very high	88 Å²	88	31.2 Å²	31.2	47%	0.471	18%	0.178	S	C	.	.	H	α-helix	trans	-68.6	-39.5	173.7	-75.1	-14.7	0	0	0	111.4	D45 L47 V51 R121	D45-D49 VanDerWaalsContact O-CB 3.22Å; D45-D49 WeakPolarHBondContact O-CB 3.48Å; D45-D49 PolarHBondContact O-N 3.29Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 2.91Å; D49-V51 VanDerWaalsContact C-N 3.34Å; D49-R121 IonicContact OD1-NH1 2.9Å; D49-R121 PolarHBondContact OD1-NH1 3.21Å
50	A	97.7	Very high	96.8	Very high	33 Å²	33	37.4 Å²	37.4	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-35.6	174.8	0	0	0	0	0	112.7	L46 L47 V53 V80 I84	L46-A50 PolarHBondContact O-N 2.92Å; L47-A50 PolarHBondContact O-N 3.27Å; A50-V53 WeakPolarHBondContact O-CG2 3.45Å; A50-V80 HydrophobicContact CB-CG1 4.43Å; A50-I84 HydrophobicContact CB-CD1 3.56Å
51	V	97.3	Very high	96.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-80	-40.8	177.5	172.2	0	0	0	0	111.5	L47 A48 D49 V53 T54 V80 A81 T114 T117	L47-V51 HydrophobicContact CD2-CG2 4.04Å; L47-V51 WeakPolarHBondContact O-CG2 3.27Å; L47-V51 PolarHBondContact O-N 2.94Å; A48-V51 PolarHBondContact O-N 2.79Å; D49-V51 VanDerWaalsContact C-N 3.34Å; V51-V53 PolarHBondContact O-N 3.35Å; V51-T54 PolarHBondContact O-N 3.37Å; V51-T54 PolarHBondContact O-OG1 3.35Å; V51-V80 HydrophobicContact CG2-CB 4.04Å; V51-V80 HydrophobicContact CG2-CG1 3.72Å; V51-A81 HydrophobicContact CG2-CB 4.13Å; V51-T114 HydrophobicContact CG1-CG2 3.84Å; V51-T117 HydrophobicContact CB-CG2 3.93Å; V51-T117 HydrophobicContact CG1-CG2 3.89Å; V51-T117 HydrophobicContact CG2-CG2 4.35Å
52	A	97.8	Very high	96.8	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-24.1	-172.8	0	0	0	0	0	114.5	A48 T54 M55 V118 T478 N482	A48-A52 WeakPolarHBondContact O-CB 3.25Å; A48-A52 PolarHBondContact O-N 2.92Å; A52-T54 PolarHBondContact O-N 2.88Å; A52-M55 WeakPolarHBondContact O-CB 3.16Å; A52-M55 PolarHBondContact O-N 3.05Å; A52-V118 HydrophobicContact CB-CG1 3.76Å; A52-T478 HydrophobicContact CB-CG2 4.2Å; A52-N482 PolarHBondContact O-ND2 3.06Å
53	V	97.7	Very high	96.8	Very high	55 Å²	55	42.3 Å²	42.3	33%	0.333	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20	177.6	-58.4	0	0	0	0	113.1	A50 V51 M55 G59 R60 V62	A50-V53 WeakPolarHBondContact O-CG2 3.45Å; V51-V53 PolarHBondContact O-N 3.35Å; V53-M55 VanDerWaalsContact C-N 3.34Å; V53-G59 CarbonylContact O-C 3.52Å; V53-G59 VanDerWaalsContact O-CA 3.23Å; V53-G59 WeakPolarHBondContact O-CA 3.43Å; V53-R60 PolarHBondContact O-N 3.47Å; V53-V62 HydrophobicContact CG2-CG2 3.96Å
54	T	96.5	Very high	96.6	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.9	178.8	70.6	0	0	0	0	112.6	V51 A52 G56 R60 V62 K75 T114	V51-T54 PolarHBondContact O-N 3.37Å; V51-T54 PolarHBondContact O-OG1 3.35Å; A52-T54 PolarHBondContact O-N 2.88Å; T54-G56 PolarHBondContact O-N 3.47Å; T54-R60 WeakPolarHBondContact CA-O 3.35Å; T54-V62 HydrophobicContact CG2-CG2 3.93Å; T54-K75 VanDerWaalsContact CB-O 3.22Å; T54-K75 WeakPolarHBondContact CB-O 3.48Å; T54-K75 HydrophobicContact CG2-CG 4.41Å; T54-K75 WeakPolarHBondContact O-CE 3.49Å; T54-K75 PolarHBondContact OG1-O 3.15Å; T54-T114 WeakPolarHBondContact OG1-CG2 2.83Å; T54-T114 PolarHBondContact OG1-OG1 3.02Å
55	M	96.9	Very high	96.5	Very high	10 Å²	10	51.6 Å²	51.6	5%	0.049	27%	0.274	C	S	.	.			trans	-67.7	133.3	-172.4	-172.7	174.6	-82	0	0	113.4	A52 V53 T114 V118 T478 I479 N482	A52-M55 WeakPolarHBondContact O-CB 3.16Å; A52-M55 PolarHBondContact O-N 3.05Å; V53-M55 VanDerWaalsContact C-N 3.34Å; M55-T114 HydrophobicContact CB-CG2 3.74Å; M55-T114 HydrophobicContact CE-CG2 3.88Å; M55-T114 HydrophobicContact CG-CG2 4.4Å; M55-V118 HydrophobicContact CE-CB 4.37Å; M55-V118 HydrophobicContact CE-CG1 4.05Å; M55-V118 HydrophobicContact CE-CG2 3.4Å; M55-V118 HydrophobicContact SD-CG2 4.38Å; M55-T478 HydrophobicContact CB-CG2 4.18Å; M55-T478 HydrophobicContact CG-CG2 4.47Å; M55-T478 HydrophobicContact SD-CG2 3.71Å; M55-I479 HydrophobicContact CG-CG1 3.69Å; M55-I479 HydrophobicContact SD-CG1 3.86Å; M55-N482 PolarHBondContact O-ND2 3.49Å
56	G	94.8	Very high	96.1	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	28%	0.281	C	S	.	.	S	Bend	trans	82.9	175.8	170.4	0	0	0	0	0	114.8	T54 K58 G59 K75	T54-G56 PolarHBondContact O-N 3.47Å; G56-K58 VanDerWaalsContact C-N 3.28Å; G56-K58 PolarHBondContact O-N 2.95Å; G56-G59 PolarHBondContact O-N 3.27Å; G56-K75 PolarHBondContact O-NZ 2.8Å
57	P	93.8	Very high	95.7	Very high	51 Å²	51	54.5 Å²	54.5	33%	0.331	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.8	-173.8	23.9	-34	0	0	0	113.2	G59 N177 A505 M506	P57-G59 VanDerWaalsContact C-N 3.35Å; P57-N177 WeakPolarHBondContact CA-OD1 3.28Å; P57-A505 HydrophobicContact CG-CB 3.96Å; P57-M506 HydrophobicContact CB-CB 4.11Å; P57-M506 HydrophobicContact CB-SD 4.24Å; P57-M506 HydrophobicContact CG-CB 4.15Å
58	K	96.1	Very high	95	Very high	82 Å²	82	64.7 Å²	64.7	36%	0.357	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.1	175	-66.1	-176.6	177.7	163.6	0	113.6	G56 A483 A505 M506	G56-K58 VanDerWaalsContact C-N 3.28Å; G56-K58 PolarHBondContact O-N 2.95Å; K58-A483 HydrophobicContact CB-CB 4.41Å; K58-A483 HydrophobicContact CD-CB 3.81Å; K58-A505 WeakPolarHBondContact CD-O 3.28Å; K58-A505 WeakPolarHBondContact CE-O 3.35Å; K58-A505 PolarHBondContact NZ-O 3.44Å; K58-A505 VanDerWaalsContact NZ-O 3.17Å; K58-M506 VanDerWaalsContact CE-O 3.23Å; K58-M506 WeakPolarHBondContact CE-O 3.4Å; K58-M506 PolarHBondContact NZ-O 2.81Å
59	G	95.1	Very high	94.4	Very high	13 Å²	13	68.4 Å²	68.4	13%	0.134	37%	0.374	C	S	.	.			trans	-64.8	149.3	170.5	0	0	0	0	0	111.7	V53 G56 P57 K75	V53-G59 CarbonylContact O-C 3.52Å; V53-G59 VanDerWaalsContact O-CA 3.23Å; V53-G59 WeakPolarHBondContact O-CA 3.43Å; G56-G59 PolarHBondContact O-N 3.27Å; P57-G59 VanDerWaalsContact C-N 3.35Å; G59-K75 PolarHBondContact O-NZ 2.89Å; G59-K75 VanDerWaalsContact O-NZ 3.15Å
60	R	96.4	Very high	93.9	Very high	161 Å²	161	67.5 Å²	67.5	61%	0.608	38%	0.375	S	S	*	.			trans	-105.8	158	-175.1	-62.9	178.2	-177.7	79	2.2	111.2	V53 T54	V53-R60 PolarHBondContact O-N 3.47Å; T54-R60 WeakPolarHBondContact CA-O 3.35Å
61	T	95.4	Very high	93.6	Very high	74 Å²	74	68.9 Å²	68.9	45%	0.454	38%	0.381	S	S	.	.			trans	-78.9	153.4	175.3	54.2	0	0	0	0	111.8	V73 T74	T61-V73 HydrophobicContact CG2-CG1 4.03Å; T61-T74 CarbonylContact C-O 3.56Å; T61-T74 WeakPolarHBondContact CA-O 3.42Å
62	V	96.9	Very high	93.3	Very high	30 Å²	30	71.5 Å²	71.5	18%	0.182	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.7	171.8	179.5	0	0	0	0	108.9	V53 T54 I64 V73 T74 V80	V53-V62 HydrophobicContact CG2-CG2 3.96Å; T54-V62 HydrophobicContact CG2-CG2 3.93Å; V62-I64 HydrophobicContact CG1-CG1 4.27Å; V62-V73 WeakPolarHBondContact O-CA 3.26Å; V62-T74 PolarHBondContact N-O 2.99Å; V62-T74 PolarHBondContact O-N 2.87Å; V62-V80 HydrophobicContact CB-CG2 3.67Å; V62-V80 HydrophobicContact CG1-CG1 4.2Å; V62-V80 HydrophobicContact CG1-CG2 4.02Å; V62-V80 HydrophobicContact CG2-CG1 4.33Å; V62-V80 HydrophobicContact CG2-CG2 3.85Å
63	I	96.6	Very high	93.1	Very high	122 Å²	122	73 Å²	73	63%	0.626	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	176.9	-54.2	-177.5	0	0	0	108.2	P71 K72 V73	I63-P71 HydrophobicContact CG2-CB 3.75Å; I63-P71 HydrophobicContact CG2-CG 4.21Å; I63-K72 CarbonylContact C-O 3.27Å; I63-K72 WeakPolarHBondContact CA-O 3.35Å; I63-V73 HydrophobicContact CG1-CG2 4.27Å
64	I	94	Very high	92.8	Very high	18 Å²	18	70.4 Å²	70.4	9%	0.092	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.2	-176.2	-56.3	169.6	0	0	0	108.5	V62 P71 K72 T74 T79 V80	V62-I64 HydrophobicContact CG1-CG1 4.27Å; I64-P71 CarbonylContact O-C 3.06Å; I64-P71 WeakPolarHBondContact O-CA 3.34Å; I64-P71 WeakPolarHBondContact O-CB 3.38Å; I64-K72 HydrophobicContact CB-CB 4.46Å; I64-K72 PolarHBondContact N-O 3.14Å; I64-K72 PolarHBondContact O-N 2.76Å; I64-T74 HydrophobicContact CD1-CG2 3.68Å; I64-T79 HydrophobicContact CD1-CG2 3.87Å; I64-V80 HydrophobicContact CD1-CG2 4.4Å
65	E	94.8	Very high	92.6	Very high	178 Å²	178	71.5 Å²	71.5	83%	0.832	39%	0.389	S	S	*	.			trans	-59.7	136.5	172.5	-178.1	178.3	-149.5	0	0	110.5
66	Q	88.4	Confident	92.2	Very high	78 Å²	78	71.7 Å²	71.7	36%	0.364	39%	0.39	S	S	.	.			trans	-107.8	139.7	172.3	-61.6	-60.3	-58.6	0	0	108.7	W68 S70 K72	Q66-W68 WeakPolarHBondContact CB-O 3.4Å; Q66-W68 PolarHBondContact O-N 2.95Å; Q66-W68 VanDerWaalsContact O-N 3.08Å; Q66-S70 WeakPolarHBondContact CG-O 3.46Å; Q66-K72 HydrophobicContact CG-CB 4.36Å
67	S	89.8	Confident	92	Very high	117 Å²	117	70.7 Å²	70.7	82%	0.818	38%	0.38	S	S	*	.	S	Bend	trans	-60.6	-19.7	178	-56	0	0	0	0	113.2
68	W	82.4	Confident	91.8	Very high	215 Å²	215	68.4 Å²	68.4	81%	0.814	37%	0.365	S	S	*	.	S	Bend	trans	-146.1	146.3	171.3	57.8	87	0	0	0	109.8	Q66	Q66-W68 WeakPolarHBondContact CB-O 3.4Å; Q66-W68 PolarHBondContact O-N 2.95Å; Q66-W68 VanDerWaalsContact O-N 3.08Å
69	G	86.2	Confident	91.5	Very high	77 Å²	77	66 Å²	66	79%	0.794	36%	0.357	S	S	*	.	S	Bend	trans	85.4	-158.4	176.8	0	0	0	0	0	114.3
70	S	87.1	Confident	91.4	Very high	70 Å²	70	65.4 Å²	65.4	49%	0.49	35%	0.351	S	S	.	.	S	Bend	trans	-82.4	151.8	179.2	48.8	0	0	0	0	111.1	Q66	Q66-S70 WeakPolarHBondContact CG-O 3.46Å
71	P	92.1	Very high	91.3	Very high	62 Å²	62	57.8 Å²	57.8	40%	0.403	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-64.7	145.6	177.8	28	-35	0	0	0	110.9	I63 I64	I63-P71 HydrophobicContact CG2-CB 3.75Å; I63-P71 HydrophobicContact CG2-CG 4.21Å; I64-P71 CarbonylContact O-C 3.06Å; I64-P71 WeakPolarHBondContact O-CA 3.34Å; I64-P71 WeakPolarHBondContact O-CB 3.38Å
72	K	89.8	Confident	91.1	Very high	55 Å²	55	59.2 Å²	59.2	24%	0.239	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.9	173.8	-174.4	170.4	-177	178.7	0	109	I63 I64 Q66 T79 D419	I63-K72 CarbonylContact C-O 3.27Å; I63-K72 WeakPolarHBondContact CA-O 3.35Å; I64-K72 HydrophobicContact CB-CB 4.46Å; I64-K72 PolarHBondContact N-O 3.14Å; I64-K72 PolarHBondContact O-N 2.76Å; Q66-K72 HydrophobicContact CG-CB 4.36Å; K72-T79 HydrophobicContact CD-CG2 3.93Å; K72-D419 WeakPolarHBondContact CE-OD2 3.38Å; K72-D419 IonicContact NZ-OD1 2.88Å; K72-D419 IonicContact NZ-OD2 2.73Å; K72-D419 PolarHBondContact NZ-OD2 2.93Å
73	V	93.9	Very high	90.9	Very high	38 Å²	38	60.3 Å²	60.3	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.2	170.1	-177.1	0	0	0	0	107.1	T61 V62 I63 V412	T61-V73 HydrophobicContact CG2-CG1 4.03Å; V62-V73 WeakPolarHBondContact O-CA 3.26Å; I63-V73 HydrophobicContact CG1-CG2 4.27Å; V73-V412 HydrophobicContact CB-CG1 3.91Å; V73-V412 HydrophobicContact CG2-CG1 3.64Å
74	T	91.3	Very high	90.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.8	-175.6	-172.2	0	0	0	0	112.2	T61 V62 I64 D76 T79 V80	T61-T74 CarbonylContact C-O 3.56Å; T61-T74 WeakPolarHBondContact CA-O 3.42Å; V62-T74 PolarHBondContact N-O 2.99Å; V62-T74 PolarHBondContact O-N 2.87Å; I64-T74 HydrophobicContact CD1-CG2 3.68Å; T74-D76 PolarHBondContact OG1-N 2.9Å; T74-T79 HydrophobicContact CG2-CG2 3.86Å; T74-V80 HydrophobicContact CG2-CG2 3.74Å
75	K	92.4	Very high	90.9	Very high	27 Å²	27	59.9 Å²	59.9	12%	0.117	33%	0.33	C	S	.	.			trans	-111.6	-3.1	167	-164.3	172.5	174.6	170.7	0	111.8	T54 G56 G59 G77 N177	T54-K75 VanDerWaalsContact CB-O 3.22Å; T54-K75 WeakPolarHBondContact CB-O 3.48Å; T54-K75 HydrophobicContact CG2-CG 4.41Å; T54-K75 WeakPolarHBondContact O-CE 3.49Å; T54-K75 PolarHBondContact OG1-O 3.15Å; G56-K75 PolarHBondContact O-NZ 2.8Å; G59-K75 PolarHBondContact O-NZ 2.89Å; G59-K75 VanDerWaalsContact O-NZ 3.15Å; K75-G77 PolarHBondContact O-N 2.72Å; K75-N177 PolarHBondContact NZ-ND2 3.47Å; K75-N177 PolarHBondContact NZ-OD1 2.91Å
76	D	88.8	Confident	90.9	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.08	30%	0.298	C	S	.	.			trans	-75.2	125.3	179.1	166.6	35.4	0	0	0	111.1	T74 V78 T79 V80 T113	T74-D76 PolarHBondContact OG1-N 2.9Å; D76-V78 PolarHBondContact O-N 3.27Å; D76-V78 WeakPolarHBondContact OD1-CG1 3.35Å; D76-V78 PolarHBondContact OD1-N 3.15Å; D76-V78 WeakPolarHBondContact OD2-CG1 3.23Å; D76-T79 VanDerWaalsContact OD2-CB 3.27Å; D76-T79 WeakPolarHBondContact OD2-CB 3.42Å; D76-T79 PolarHBondContact OD2-N 2.85Å; D76-T79 PolarHBondContact OD2-OG1 2.93Å; D76-V80 WeakPolarHBondContact O-CG2 3.44Å; D76-V80 PolarHBondContact O-N 2.83Å; D76-T113 PolarHBondContact OD1-OG1 3.16Å
77	G	89.9	Confident	91.2	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-34.3	-178.1	0	0	0	0	0	113.6	K75 A81 T113 T114	K75-G77 PolarHBondContact O-N 2.72Å; G77-A81 VanDerWaalsContact O-CB 3.28Å; G77-A81 WeakPolarHBondContact O-CB 3.45Å; G77-A81 PolarHBondContact O-N 3.24Å; G77-T113 PolarHBondContact N-OG1 3.49Å; G77-T114 WeakPolarHBondContact CA-OG1 3.45Å
78	V	89.7	Confident	91.5	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-74.6	-39	-179	69.3	0	0	0	0	111.3	D76 V80 A81 K82 A102 N103 N106 T113	D76-V78 PolarHBondContact O-N 3.27Å; D76-V78 WeakPolarHBondContact OD1-CG1 3.35Å; D76-V78 PolarHBondContact OD1-N 3.15Å; D76-V78 WeakPolarHBondContact OD2-CG1 3.23Å; V78-V80 VanDerWaalsContact C-N 3.34Å; V78-V80 PolarHBondContact O-N 3.03Å; V78-A81 PolarHBondContact O-N 2.79Å; V78-K82 HydrophobicContact CG2-CD 4.16Å; V78-K82 HydrophobicContact CG2-CG 4.19Å; V78-K82 WeakPolarHBondContact O-CB 3.07Å; V78-K82 WeakPolarHBondContact O-CG 3.33Å; V78-K82 PolarHBondContact O-N 2.71Å; V78-A102 HydrophobicContact CB-CB 4.32Å; V78-A102 HydrophobicContact CG2-CB 4.2Å; V78-N103 WeakPolarHBondContact CG2-OD1 3.22Å; V78-N106 HydrophobicContact CB-CB 4.31Å; V78-N106 HydrophobicContact CG1-CB 4.08Å; V78-N106 HydrophobicContact CG2-CB 4.29Å; V78-T113 HydrophobicContact CB-CG2 3.84Å; V78-T113 HydrophobicContact CG1-CG2 4.09Å; V78-T113 PolarHBondContact N-OG1 3.12Å
79	T	89.9	Confident	92.1	Very high	31 Å²	31	50.3 Å²	50.3	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-44.8	173.3	-62.3	0	0	0	0	111.2	I64 K72 T74 D76 S83	I64-T79 HydrophobicContact CD1-CG2 3.87Å; K72-T79 HydrophobicContact CD-CG2 3.93Å; T74-T79 HydrophobicContact CG2-CG2 3.86Å; D76-T79 VanDerWaalsContact OD2-CB 3.27Å; D76-T79 WeakPolarHBondContact OD2-CB 3.42Å; D76-T79 PolarHBondContact OD2-N 2.85Å; D76-T79 PolarHBondContact OD2-OG1 2.93Å; T79-S83 PolarHBondContact O-N 3.19Å
80	V	94.6	Very high	92.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-49.1	175.3	176.4	0	0	0	0	110.7	A50 V51 V62 I64 T74 D76 V78 K82 S83 I84	A50-V80 HydrophobicContact CB-CG1 4.43Å; V51-V80 HydrophobicContact CG2-CB 4.04Å; V51-V80 HydrophobicContact CG2-CG1 3.72Å; V62-V80 HydrophobicContact CB-CG2 3.67Å; V62-V80 HydrophobicContact CG1-CG1 4.2Å; V62-V80 HydrophobicContact CG1-CG2 4.02Å; V62-V80 HydrophobicContact CG2-CG1 4.33Å; V62-V80 HydrophobicContact CG2-CG2 3.85Å; I64-V80 HydrophobicContact CD1-CG2 4.4Å; T74-V80 HydrophobicContact CG2-CG2 3.74Å; D76-V80 WeakPolarHBondContact O-CG2 3.44Å; D76-V80 PolarHBondContact O-N 2.83Å; V78-V80 VanDerWaalsContact C-N 3.34Å; V78-V80 PolarHBondContact O-N 3.03Å; V80-K82 PolarHBondContact O-N 3.42Å; V80-S83 PolarHBondContact O-N 3.13Å; V80-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 PolarHBondContact O-OG 3.09Å; V80-I84 HydrophobicContact CG1-CD1 4.02Å; V80-I84 WeakPolarHBondContact O-CG1 3.38Å
81	A	93.2	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-48.6	-179.1	0	0	0	0	0	112	L47 V51 G77 V78 S83 I84 Q99 A102	L47-A81 HydrophobicContact CD1-CB 4.45Å; L47-A81 HydrophobicContact CD2-CB 4Å; V51-A81 HydrophobicContact CG2-CB 4.13Å; G77-A81 VanDerWaalsContact O-CB 3.28Å; G77-A81 WeakPolarHBondContact O-CB 3.45Å; G77-A81 PolarHBondContact O-N 3.24Å; V78-A81 PolarHBondContact O-N 2.79Å; A81-S83 PolarHBondContact O-N 2.94Å; A81-I84 PolarHBondContact O-N 3.08Å; A81-Q99 HydrophobicContact CB-CG 4.1Å; A81-Q99 WeakPolarHBondContact O-CG 3.4Å; A81-Q99 PolarHBondContact O-NE2 3.36Å; A81-A102 HydrophobicContact CB-CB 4.07Å
82	K	91.3	Very high	93.2	Very high	104 Å²	104	45.1 Å²	45.1	45%	0.452	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-27.1	179.8	-75.4	-178.1	179.1	-179	0	113.3	V78 V80 I84 N103	V78-K82 HydrophobicContact CG2-CD 4.16Å; V78-K82 HydrophobicContact CG2-CG 4.19Å; V78-K82 WeakPolarHBondContact O-CB 3.07Å; V78-K82 WeakPolarHBondContact O-CG 3.33Å; V78-K82 PolarHBondContact O-N 2.71Å; V80-K82 PolarHBondContact O-N 3.42Å; K82-I84 VanDerWaalsContact C-N 3.35Å; K82-N103 VanDerWaalsContact CE-CG 3.47Å; K82-N103 WeakPolarHBondContact CE-OD1 3.31Å; K82-N103 WeakPolarHBondContact CG-OD1 3.46Å
83	S	92.5	Very high	93.5	Very high	53 Å²	53	45.1 Å²	45.1	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-79.9	-13.1	-178.9	73.6	0	0	0	0	114.7	T79 V80 A81	T79-S83 PolarHBondContact O-N 3.19Å; V80-S83 PolarHBondContact O-N 3.13Å; V80-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 PolarHBondContact O-OG 3.09Å; A81-S83 PolarHBondContact O-N 2.94Å
84	I	95	Very high	93.6	Very high	30 Å²	30	43.3 Å²	43.3	15%	0.154	21%	0.212	C	C	.	.			trans	-96.7	105.1	-172.9	-64.3	167.4	0	0	0	109.8	L47 A50 V80 A81 K82 L86 Q99	L47-I84 HydrophobicContact CD1-CB 4.14Å; L47-I84 HydrophobicContact CD1-CG2 4.3Å; L47-I84 HydrophobicContact CG-CB 4.5Å; L47-I84 HydrophobicContact CG-CD1 4.17Å; A50-I84 HydrophobicContact CB-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CD1 4.02Å; V80-I84 WeakPolarHBondContact O-CG1 3.38Å; A81-I84 PolarHBondContact O-N 3.08Å; K82-I84 VanDerWaalsContact C-N 3.35Å; I84-L86 HydrophobicContact CG2-CD2 3.91Å; I84-L86 HydrophobicContact CG2-CG 4.4Å; I84-Q99 PolarHBondContact O-NE2 3.05Å
85	D	95.1	Very high	93.8	Very high	101 Å²	101	43.3 Å²	43.3	54%	0.54	21%	0.212	S	C	.	.			trans	-113.2	134.4	167.8	-83.7	-55.6	0	0	0	110.5	K96	D85-K96 WeakPolarHBondContact OD1-CE 3.37Å; D85-K96 IonicContact OD1-NZ 3.04Å; D85-K96 PolarHBondContact OD1-NZ 3.4Å; D85-K96 IonicContact OD2-NZ 2.7Å
86	L	95.5	Very high	93.9	Very high	31 Å²	31	45.3 Å²	45.3	16%	0.162	22%	0.221	C	C	.	.			trans	-105.1	137.4	-175.4	-55.7	-177.3	0	0	0	111.3	L46 I84 D88 K91 N92 A95	L46-L86 HydrophobicContact CD2-CD1 3.95Å; L46-L86 HydrophobicContact CD2-CD2 3.45Å; L46-L86 VanDerWaalsContact CD2-CD2 3.45Å; L46-L86 HydrophobicContact CD2-CG 4.39Å; L46-L86 HydrophobicContact CG-CD2 4.48Å; I84-L86 HydrophobicContact CG2-CD2 3.91Å; I84-L86 HydrophobicContact CG2-CG 4.4Å; L86-D88 PolarHBondContact O-N 3.33Å; L86-K91 HydrophobicContact CB-CB 4.25Å; L86-K91 HydrophobicContact CD1-CB 3.64Å; L86-N92 HydrophobicContact CB-CB 4.08Å; L86-N92 PolarHBondContact N-OD1 3.35Å; L86-N92 WeakPolarHBondContact O-CB 3.48Å; L86-A95 HydrophobicContact CD1-CB 3.92Å; L86-A95 HydrophobicContact CG-CB 4.24Å
87	K	94.9	Very high	94.1	Very high	206 Å²	206	47 Å²	47	90%	0.896	23%	0.23	S	C	*	.	S	Bend	trans	-63.9	-41.1	179.4	-173.5	174.3	-177.2	174.9	0	112.4	K89	K87-K89 PolarHBondContact O-N 2.81Å
88	D	95.6	Very high	94.3	Very high	62 Å²	62	47.2 Å²	47.2	33%	0.332	23%	0.231	S	C	.	.	S	Bend	trans	-72.3	124	175.4	-177	-62.6	0	0	0	109.8	L86 Y90 K91 N92	L86-D88 PolarHBondContact O-N 3.33Å; D88-Y90 PolarHBondContact O-N 3Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.36Å; D88-Y90 PolarHBondContact OD1-N 3.5Å; D88-K91 HydrophobicContact CB-CB 4.06Å; D88-K91 HydrophobicContact CB-CD 3.92Å; D88-K91 HydrophobicContact CB-CG 3.87Å; D88-K91 PolarHBondContact O-N 3.44Å; D88-K91 PolarHBondContact OD1-N 3.29Å; D88-K91 VanDerWaalsContact OD1-N 3.08Å; D88-N92 VanDerWaalsContact O-CB 3.31Å; D88-N92 WeakPolarHBondContact O-CB 3.17Å; D88-N92 PolarHBondContact O-N 3.14Å
89	K	95.1	Very high	94.5	Very high	88 Å²	88	47.3 Å²	47.3	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-36	-174.2	-63.3	-62.8	-174.6	-179	0	113.4	K87 N92 I93 T547	K87-K89 PolarHBondContact O-N 2.81Å; K89-N92 PolarHBondContact O-N 3.31Å; K89-I93 VanDerWaalsContact O-CG1 3.3Å; K89-I93 WeakPolarHBondContact O-CG1 3.33Å; K89-I93 PolarHBondContact O-N 3.15Å; K89-T547 HydrophobicContact CB-CG2 3.8Å
90	Y	95.3	Very high	94.5	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.039	24%	0.24	C	C	.	.	H	α-helix	trans	-71.4	-43.3	179.2	-63.1	-81.1	0	0	0	110.7	D29 K31 L39 D88 N92 I93 G94 V545 T547	D29-Y90 WeakPolarHBondContact OD2-CE2 3.16Å; D29-Y90 PolarHBondContact OD2-OH 3.21Å; K31-Y90 HydrophobicContact CB-CE1 3.77Å; K31-Y90 HydrophobicContact CD-CD1 4.28Å; K31-Y90 HydrophobicContact CD-CD2 4.06Å; K31-Y90 HydrophobicContact CD-CE1 3.86Å; K31-Y90 HydrophobicContact CD-CE2 3.6Å; K31-Y90 HydrophobicContact CD-CG 4.38Å; K31-Y90 HydrophobicContact CG-CE1 3.98Å; K31-Y90 HydrophobicContact CG-CE2 4.19Å; K31-Y90 WeakPolarHBondContact CG-OH 3.34Å; L39-Y90 HydrophobicContact CB-CG 4.37Å; L39-Y90 HydrophobicContact CD1-CD2 4Å; L39-Y90 HydrophobicContact CD1-CG 4.06Å; D88-Y90 PolarHBondContact O-N 3Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.36Å; D88-Y90 PolarHBondContact OD1-N 3.5Å; Y90-N92 VanDerWaalsContact C-N 3.29Å; Y90-N92 PolarHBondContact O-N 2.96Å; Y90-I93 PolarHBondContact O-N 3.5Å; Y90-G94 PolarHBondContact O-N 3.4Å; Y90-V545 HydrophobicContact CD1-CB 3.94Å; Y90-V545 HydrophobicContact CD1-CG1 3.61Å; Y90-V545 HydrophobicContact CE1-CB 3.85Å; Y90-V545 HydrophobicContact CE1-CG1 3.74Å; Y90-T547 HydrophobicContact CD1-CG2 3.82Å; Y90-T547 HydrophobicContact CD2-CG2 4.42Å; Y90-T547 HydrophobicContact CE1-CG2 3.57Å; Y90-T547 HydrophobicContact CE2-CG2 4.21Å; Y90-T547 HydrophobicContact CG-CG2 4.23Å; Y90-T547 PolarHBondContact OH-OG1 3.36Å
91	K	97.3	Very high	94.5	Very high	61 Å²	61	49.1 Å²	49.1	27%	0.265	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-42.1	172.2	-58.5	-173.7	-177.2	-165.3	0	110.7	L39 Q42 G43 L86 D88 I93 G94 A95	L39-K91 WeakPolarHBondContact O-CG 3.49Å; Q42-K91 HydrophobicContact CB-CD 4.38Å; Q42-K91 HydrophobicContact CB-CG 4.4Å; G43-K91 WeakPolarHBondContact CA-O 3.38Å; L86-K91 HydrophobicContact CB-CB 4.25Å; L86-K91 HydrophobicContact CD1-CB 3.64Å; D88-K91 HydrophobicContact CB-CB 4.06Å; D88-K91 HydrophobicContact CB-CD 3.92Å; D88-K91 HydrophobicContact CB-CG 3.87Å; D88-K91 PolarHBondContact O-N 3.44Å; D88-K91 PolarHBondContact OD1-N 3.29Å; D88-K91 VanDerWaalsContact OD1-N 3.08Å; K91-I93 VanDerWaalsContact C-N 3.32Å; K91-I93 PolarHBondContact O-N 3.05Å; K91-G94 PolarHBondContact O-N 3.2Å; K91-G94 VanDerWaalsContact O-N 3.15Å; K91-A95 PolarHBondContact O-N 3.42Å
92	N	96.8	Very high	94.3	Very high	29 Å²	29	49.1 Å²	49.1	16%	0.155	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-35.7	-179.8	-157.3	45.9	0	0	0	112.7	L86 D88 K89 Y90 G94 A95 K96	L86-N92 HydrophobicContact CB-CB 4.08Å; L86-N92 PolarHBondContact N-OD1 3.35Å; L86-N92 WeakPolarHBondContact O-CB 3.48Å; D88-N92 VanDerWaalsContact O-CB 3.31Å; D88-N92 WeakPolarHBondContact O-CB 3.17Å; D88-N92 PolarHBondContact O-N 3.14Å; K89-N92 PolarHBondContact O-N 3.31Å; Y90-N92 VanDerWaalsContact C-N 3.29Å; Y90-N92 PolarHBondContact O-N 2.96Å; N92-G94 VanDerWaalsContact C-N 3.34Å; N92-A95 PolarHBondContact O-N 3.09Å; N92-K96 WeakPolarHBondContact O-CB 3.19Å; N92-K96 VanDerWaalsContact O-CG 3.26Å; N92-K96 WeakPolarHBondContact O-CG 3.15Å; N92-K96 PolarHBondContact O-N 3.19Å
93	I	95.9	Very high	94.2	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-60.3	-46.8	172.5	-72.8	165.9	0	0	0	110.3	M40 K89 Y90 K91 A95 K96 L97 V545 T547	M40-I93 HydrophobicContact SD-CG2 4.12Å; K89-I93 VanDerWaalsContact O-CG1 3.3Å; K89-I93 WeakPolarHBondContact O-CG1 3.33Å; K89-I93 PolarHBondContact O-N 3.15Å; Y90-I93 PolarHBondContact O-N 3.5Å; K91-I93 VanDerWaalsContact C-N 3.32Å; K91-I93 PolarHBondContact O-N 3.05Å; I93-A95 PolarHBondContact O-N 3.27Å; I93-K96 PolarHBondContact O-N 3.24Å; I93-L97 HydrophobicContact CG2-CD1 4.18Å; I93-L97 WeakPolarHBondContact O-CG 3.41Å; I93-L97 PolarHBondContact O-N 3.05Å; I93-L97 VanDerWaalsContact O-N 3.08Å; I93-V545 HydrophobicContact CD1-CG1 3.54Å; I93-T547 HydrophobicContact CD1-CG2 3.66Å
94	G	95.3	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-46.6	175.1	0	0	0	0	0	112.5	Y90 K91 N92 L97 V98	Y90-G94 PolarHBondContact O-N 3.4Å; K91-G94 PolarHBondContact O-N 3.2Å; K91-G94 VanDerWaalsContact O-N 3.15Å; N92-G94 VanDerWaalsContact C-N 3.34Å; G94-L97 PolarHBondContact O-N 3.44Å; G94-V98 WeakPolarHBondContact O-CG2 3.41Å; G94-V98 PolarHBondContact O-N 2.91Å
95	A	95.7	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-45.9	177	0	0	0	0	0	112.2	L47 L86 K91 N92 I93 L97 V98 Q99	L47-A95 HydrophobicContact CB-CB 4.37Å; L47-A95 HydrophobicContact CD1-CB 3.89Å; L86-A95 HydrophobicContact CD1-CB 3.92Å; L86-A95 HydrophobicContact CG-CB 4.24Å; K91-A95 PolarHBondContact O-N 3.42Å; N92-A95 PolarHBondContact O-N 3.09Å; I93-A95 PolarHBondContact O-N 3.27Å; A95-L97 PolarHBondContact O-N 3.15Å; A95-V98 PolarHBondContact O-N 3.26Å; A95-V98 VanDerWaalsContact O-N 3.15Å; A95-Q99 WeakPolarHBondContact O-CG 3.47Å; A95-Q99 PolarHBondContact O-N 3.39Å
96	K	94.6	Very high	93.2	Very high	70 Å²	70	42.2 Å²	42.2	30%	0.304	20%	0.204	S	C	.	.	H	α-helix	trans	-61.2	-41.3	179.6	-74	-69.8	168.7	-156.3	0	112.7	D85 N92 I93 V98 Q99 D100	D85-K96 WeakPolarHBondContact OD1-CE 3.37Å; D85-K96 IonicContact OD1-NZ 3.04Å; D85-K96 PolarHBondContact OD1-NZ 3.4Å; D85-K96 IonicContact OD2-NZ 2.7Å; N92-K96 WeakPolarHBondContact O-CB 3.19Å; N92-K96 VanDerWaalsContact O-CG 3.26Å; N92-K96 WeakPolarHBondContact O-CG 3.15Å; N92-K96 PolarHBondContact O-N 3.19Å; I93-K96 PolarHBondContact O-N 3.24Å; K96-V98 VanDerWaalsContact C-N 3.28Å; K96-V98 PolarHBondContact O-N 2.75Å; K96-Q99 WeakPolarHBondContact O-CB 3.36Å; K96-Q99 PolarHBondContact O-N 3.24Å; K96-Q99 VanDerWaalsContact O-N 3.12Å; K96-D100 VanDerWaalsContact O-CG 3.24Å; K96-D100 PolarHBondContact O-N 3.16Å
97	L	93.7	Very high	92.3	Very high	50 Å²	50	47.5 Å²	47.5	26%	0.262	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-34.6	176.9	-69.4	170.7	0	0	0	112.5	I93 G94 A95 D100 V101 V535 L539	I93-L97 HydrophobicContact CG2-CD1 4.18Å; I93-L97 WeakPolarHBondContact O-CG 3.41Å; I93-L97 PolarHBondContact O-N 3.05Å; I93-L97 VanDerWaalsContact O-N 3.08Å; G94-L97 PolarHBondContact O-N 3.44Å; A95-L97 PolarHBondContact O-N 3.15Å; L97-D100 PolarHBondContact O-N 2.92Å; L97-V101 PolarHBondContact O-N 3.36Å; L97-V535 HydrophobicContact CB-CG1 4.09Å; L97-V535 HydrophobicContact CD2-CG1 4.3Å; L97-V535 WeakPolarHBondContact O-CG1 3.46Å; L97-L539 HydrophobicContact CD1-CB 4.21Å; L97-L539 HydrophobicContact CD1-CD1 3.57Å; L97-L539 HydrophobicContact CD1-CD2 4.1Å; L97-L539 HydrophobicContact CD1-CG 4.15Å
98	V	93.8	Very high	91.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-76	-31.2	174.9	-175.9	0	0	0	0	111.7	V44 L47 G94 A95 K96 D100 V101 A102 T117	V44-V98 HydrophobicContact CB-CG2 4.11Å; V44-V98 HydrophobicContact CG1-CG2 3.83Å; V44-V98 HydrophobicContact CG2-CG2 3.81Å; L47-V98 HydrophobicContact CD2-CB 4Å; L47-V98 HydrophobicContact CD2-CG1 3.55Å; G94-V98 WeakPolarHBondContact O-CG2 3.41Å; G94-V98 PolarHBondContact O-N 2.91Å; A95-V98 PolarHBondContact O-N 3.26Å; A95-V98 VanDerWaalsContact O-N 3.15Å; K96-V98 VanDerWaalsContact C-N 3.28Å; K96-V98 PolarHBondContact O-N 2.75Å; V98-D100 VanDerWaalsContact C-N 3.32Å; V98-V101 WeakPolarHBondContact O-CB 3.36Å; V98-V101 PolarHBondContact O-N 2.96Å; V98-A102 PolarHBondContact O-N 3.38Å; V98-A102 VanDerWaalsContact O-N 3.09Å; V98-T117 HydrophobicContact CG1-CG2 3.66Å
99	Q	93	Very high	91	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-43	169.7	-70.9	169	35	0	0	111.2	L47 A81 I84 A95 K96 V101 A102 N103	L47-Q99 HydrophobicContact CD1-CG 3.55Å; A81-Q99 HydrophobicContact CB-CG 4.1Å; A81-Q99 WeakPolarHBondContact O-CG 3.4Å; A81-Q99 PolarHBondContact O-NE2 3.36Å; I84-Q99 PolarHBondContact O-NE2 3.05Å; A95-Q99 WeakPolarHBondContact O-CG 3.47Å; A95-Q99 PolarHBondContact O-N 3.39Å; K96-Q99 WeakPolarHBondContact O-CB 3.36Å; K96-Q99 PolarHBondContact O-N 3.24Å; K96-Q99 VanDerWaalsContact O-N 3.12Å; Q99-V101 VanDerWaalsContact C-N 3.28Å; Q99-V101 PolarHBondContact O-N 3.46Å; Q99-A102 PolarHBondContact O-N 2.9Å; Q99-A102 VanDerWaalsContact O-N 3.15Å; Q99-N103 WeakPolarHBondContact O-CB 3.26Å; Q99-N103 PolarHBondContact O-N 3.44Å; Q99-N103 PolarHBondContact O-ND2 2.8Å; Q99-N103 PolarHBondContact O-OD1 3.28Å
100	D	91.4	Very high	90.2	Very high	70 Å²	70	34.9 Å²	34.9	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-60.4	-39.9	177.4	-64.3	-20.4	0	0	0	111	K96 L97 V98 N103 N104	K96-D100 VanDerWaalsContact O-CG 3.24Å; K96-D100 PolarHBondContact O-N 3.16Å; L97-D100 PolarHBondContact O-N 2.92Å; V98-D100 VanDerWaalsContact C-N 3.32Å; D100-N103 PolarHBondContact O-N 3.01Å; D100-N104 WeakPolarHBondContact O-CB 3.27Å; D100-N104 PolarHBondContact O-N 3.22Å; D100-N104 PolarHBondContact O-ND2 3.45Å; D100-N104 PolarHBondContact O-OD1 3.3Å
101	V	93.3	Very high	89.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-51.5	172.3	173.5	0	0	0	0	111.4	L97 V98 Q99 N103 N104 T105 A116 A120 D531 A532 V535	L97-V101 PolarHBondContact O-N 3.36Å; V98-V101 WeakPolarHBondContact O-CB 3.36Å; V98-V101 PolarHBondContact O-N 2.96Å; Q99-V101 VanDerWaalsContact C-N 3.28Å; Q99-V101 PolarHBondContact O-N 3.46Å; V101-N103 VanDerWaalsContact C-N 3.28Å; V101-N103 PolarHBondContact O-N 3.21Å; V101-N104 PolarHBondContact O-N 3.09Å; V101-T105 PolarHBondContact O-N 3.49Å; V101-T105 VanDerWaalsContact O-N 3.11Å; V101-T105 PolarHBondContact O-OG1 2.73Å; V101-A116 HydrophobicContact CG1-CB 3.63Å; V101-A120 HydrophobicContact CG1-CB 4.22Å; V101-A120 HydrophobicContact CG2-CB 4.21Å; V101-D531 HydrophobicContact CG1-CB 4.34Å; V101-A532 HydrophobicContact CG1-CB 4.12Å; V101-V535 HydrophobicContact CG2-CB 3.4Å; V101-V535 HydrophobicContact CG2-CG1 3.82Å; V101-V535 HydrophobicContact CG2-CG2 3.59Å
102	A	90	Very high	89.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-37.9	-178.8	0	0	0	0	0	111.8	V78 A81 V98 Q99 N106	V78-A102 HydrophobicContact CB-CB 4.32Å; V78-A102 HydrophobicContact CG2-CB 4.2Å; A81-A102 HydrophobicContact CB-CB 4.07Å; V98-A102 PolarHBondContact O-N 3.38Å; V98-A102 VanDerWaalsContact O-N 3.09Å; Q99-A102 PolarHBondContact O-N 2.9Å; Q99-A102 VanDerWaalsContact O-N 3.15Å; A102-N106 WeakPolarHBondContact O-CB 3.49Å; A102-N106 PolarHBondContact O-N 3.22Å
103	N	87.9	Confident	89.6	Confident	29 Å²	29	32.5 Å²	32.5	16%	0.155	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-49.6	178.1	-67.4	-13.7	0	0	0	111.8	V78 K82 Q99 D100 V101 T105 N106 E107	V78-N103 WeakPolarHBondContact CG2-OD1 3.22Å; K82-N103 VanDerWaalsContact CE-CG 3.47Å; K82-N103 WeakPolarHBondContact CE-OD1 3.31Å; K82-N103 WeakPolarHBondContact CG-OD1 3.46Å; Q99-N103 WeakPolarHBondContact O-CB 3.26Å; Q99-N103 PolarHBondContact O-N 3.44Å; Q99-N103 PolarHBondContact O-ND2 2.8Å; Q99-N103 PolarHBondContact O-OD1 3.28Å; D100-N103 PolarHBondContact O-N 3.01Å; V101-N103 VanDerWaalsContact C-N 3.28Å; V101-N103 PolarHBondContact O-N 3.21Å; N103-T105 VanDerWaalsContact C-N 3.32Å; N103-T105 PolarHBondContact O-N 2.87Å; N103-N106 WeakPolarHBondContact O-CB 3.33Å; N103-N106 PolarHBondContact O-N 2.93Å; N103-N106 VanDerWaalsContact O-N 3.12Å; N103-E107 WeakPolarHBondContact O-CG 3.46Å; N103-E107 PolarHBondContact O-N 2.97Å
104	N	86.3	Confident	89.6	Confident	68 Å²	68	30.6 Å²	30.6	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-59.9	-44.5	-179.3	-67.2	-7.8	0	0	0	111.1	D100 V101 N106 E107 E108	D100-N104 WeakPolarHBondContact O-CB 3.27Å; D100-N104 PolarHBondContact O-N 3.22Å; D100-N104 PolarHBondContact O-ND2 3.45Å; D100-N104 PolarHBondContact O-OD1 3.3Å; V101-N104 PolarHBondContact O-N 3.09Å; N104-N106 VanDerWaalsContact C-N 3.32Å; N104-N106 PolarHBondContact O-N 2.75Å; N104-E107 PolarHBondContact O-N 3.3Å; N104-E108 PolarHBondContact O-N 3.32Å
105	T	89.4	Confident	89.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-38.6	176.9	-60.3	0	0	0	0	111.7	V101 N103 A109 G110 A116 A528 D531	V101-T105 PolarHBondContact O-N 3.49Å; V101-T105 VanDerWaalsContact O-N 3.11Å; V101-T105 PolarHBondContact O-OG1 2.73Å; N103-T105 VanDerWaalsContact C-N 3.32Å; N103-T105 PolarHBondContact O-N 2.87Å; T105-A109 PolarHBondContact O-N 3.01Å; T105-G110 PolarHBondContact O-N 2.92Å; T105-A116 HydrophobicContact CG2-CB 4.16Å; T105-A116 WeakPolarHBondContact OG1-CB 3.45Å; T105-A528 HydrophobicContact CG2-CB 4.08Å; T105-D531 VanDerWaalsContact CA-OD2 3.23Å; T105-D531 WeakPolarHBondContact CA-OD2 3.47Å; T105-D531 PolarHBondContact N-OD2 3.2Å; T105-D531 WeakPolarHBondContact OG1-CB 3.34Å; T105-D531 PolarHBondContact OG1-OD2 3.49Å
106	N	86.2	Confident	89.9	Confident	46 Å²	46	32.5 Å²	32.5	25%	0.246	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-40.9	175	-170.9	69.4	0	0	0	112.4	V78 A102 N103 N104 G110 T113	V78-N106 HydrophobicContact CB-CB 4.31Å; V78-N106 HydrophobicContact CG1-CB 4.08Å; V78-N106 HydrophobicContact CG2-CB 4.29Å; A102-N106 WeakPolarHBondContact O-CB 3.49Å; A102-N106 PolarHBondContact O-N 3.22Å; N103-N106 WeakPolarHBondContact O-CB 3.33Å; N103-N106 PolarHBondContact O-N 2.93Å; N103-N106 VanDerWaalsContact O-N 3.12Å; N104-N106 VanDerWaalsContact C-N 3.32Å; N104-N106 PolarHBondContact O-N 2.75Å; N106-G110 WeakPolarHBondContact O-CA 3.36Å; N106-G110 PolarHBondContact O-N 2.94Å; N106-T113 HydrophobicContact CB-CG2 3.73Å
107	E	77.7	Confident	90	Very high	143 Å²	143	29.1 Å²	29.1	67%	0.668	15%	0.154	S	C	*	.	H	α-helix	trans	-69.2	-37.5	178.8	-72.9	179.2	-164.7	0	0	112.4	N103 N104	N103-E107 WeakPolarHBondContact O-CG 3.46Å; N103-E107 PolarHBondContact O-N 2.97Å; N104-E107 PolarHBondContact O-N 3.3Å
108	E	79.7	Confident	90.2	Very high	79 Å²	79	26.8 Å²	26.8	37%	0.369	14%	0.142	S	C	.	.	H	α-helix	trans	-82.6	-37.2	-177.8	-165.1	179.2	159.6	0	0	113.3	N104 K523 R526 T527	N104-E108 PolarHBondContact O-N 3.32Å; E108-K523 WeakPolarHBondContact O-CE 3.37Å; E108-R526 IonicContact OE1-NH1 3.46Å; E108-R526 IonicContact OE1-NH2 3.41Å; E108-T527 HydrophobicContact CB-CG2 4.26Å; E108-T527 HydrophobicContact CG-CG2 3.8Å; E108-T527 VanDerWaalsContact OE1-CG2 3.27Å; E108-T527 WeakPolarHBondContact OE1-CG2 3.36Å
109	A	83.4	Confident	90.4	Very high	8 Å²	8	26.6 Å²	26.6	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-124.6	-22.7	-172.2	0	0	0	0	0	115.1	T105 D111 V524 T527	T105-A109 PolarHBondContact O-N 3.01Å; A109-D111 PolarHBondContact O-N 3.05Å; A109-V524 HydrophobicContact CB-CG2 3.96Å; A109-T527 HydrophobicContact CB-CG2 4.35Å; A109-T527 WeakPolarHBondContact CB-OG1 3.36Å
110	G	78.8	Confident	90.7	Very high	4 Å²	4	26.4 Å²	26.4	4%	0.041	14%	0.14	C	C	.	.	S	Bend	trans	68.6	11.9	178.4	0	0	0	0	0	115.8	T105 N106 N426	T105-G110 PolarHBondContact O-N 2.92Å; N106-G110 WeakPolarHBondContact O-CA 3.36Å; N106-G110 PolarHBondContact O-N 2.94Å; G110-N426 PolarHBondContact O-ND2 3.16Å
111	D	88.2	Confident	91	Very high	39 Å²	39	25 Å²	25	21%	0.209	13%	0.13	C	C	.	.	S	Bend	trans	-155.8	172.1	171.3	-169.1	2.5	0	0	0	107.8	A109 S175 A427 V524	A109-D111 PolarHBondContact O-N 3.05Å; D111-S175 PolarHBondContact OD2-OG 3.3Å; D111-A427 HydrophobicContact CB-CB 4.34Å; D111-V524 HydrophobicContact CB-CG1 4.21Å; D111-V524 HydrophobicContact CB-CG2 4.08Å
112	G	92.6	Very high	91.2	Very high	6 Å²	6	25.6 Å²	25.6	6%	0.062	13%	0.134	C	C	.	.			trans	84.2	8	176.6	0	0	0	0	0	114.7	T114 T115 A116	G112-T114 PolarHBondContact O-N 3.22Å; G112-T115 WeakPolarHBondContact O-CA 3.22Å; G112-T115 WeakPolarHBondContact O-CB 3.4Å; G112-T115 PolarHBondContact O-N 2.88Å; G112-A116 PolarHBondContact O-N 3.38Å
113	T	94.6	Very high	91.6	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-56.3	-48.2	-177.3	58.5	0	0	0	0	111.8	D76 G77 V78 N106 T115 A116 T117	D76-T113 PolarHBondContact OD1-OG1 3.16Å; G77-T113 PolarHBondContact N-OG1 3.49Å; V78-T113 HydrophobicContact CB-CG2 3.84Å; V78-T113 HydrophobicContact CG1-CG2 4.09Å; V78-T113 PolarHBondContact N-OG1 3.12Å; N106-T113 HydrophobicContact CB-CG2 3.73Å; T113-T115 VanDerWaalsContact C-N 3.32Å; T113-T115 PolarHBondContact O-N 3.38Å; T113-A116 PolarHBondContact O-N 3.44Å; T113-T117 PolarHBondContact O-N 3.03Å; T113-T117 PolarHBondContact O-OG1 3.39Å; T113-T117 VanDerWaalsContact O-OG1 3.08Å
114	T	96.7	Very high	92	Very high	17 Å²	17	24.3 Å²	24.3	10%	0.104	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-37.7	176.6	-51.6	0	0	0	0	111.9	V51 T54 M55 G77 G112 T117 V118	V51-T114 HydrophobicContact CG1-CG2 3.84Å; T54-T114 WeakPolarHBondContact OG1-CG2 2.83Å; T54-T114 PolarHBondContact OG1-OG1 3.02Å; M55-T114 HydrophobicContact CB-CG2 3.74Å; M55-T114 HydrophobicContact CE-CG2 3.88Å; M55-T114 HydrophobicContact CG-CG2 4.4Å; G77-T114 WeakPolarHBondContact CA-OG1 3.45Å; G112-T114 PolarHBondContact O-N 3.22Å; T114-T117 PolarHBondContact O-N 3.49Å; T114-V118 PolarHBondContact O-N 3.15Å; T114-V118 VanDerWaalsContact O-N 3.12Å
115	T	97.9	Very high	92.4	Very high	39 Å²	39	25.7 Å²	25.7	24%	0.239	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-46.2	176.2	-60.5	0	0	0	0	110.9	G112 T113 T117 V118 L119 P475 A528	G112-T115 WeakPolarHBondContact O-CA 3.22Å; G112-T115 WeakPolarHBondContact O-CB 3.4Å; G112-T115 PolarHBondContact O-N 2.88Å; T113-T115 VanDerWaalsContact C-N 3.32Å; T113-T115 PolarHBondContact O-N 3.38Å; T115-T117 VanDerWaalsContact C-N 3.33Å; T115-T117 PolarHBondContact O-N 2.99Å; T115-V118 VanDerWaalsContact O-CG2 3.3Å; T115-V118 WeakPolarHBondContact O-CG2 3.42Å; T115-V118 PolarHBondContact O-N 3.46Å; T115-L119 HydrophobicContact CG2-CD1 3.83Å; T115-L119 HydrophobicContact CG2-CG 4.4Å; T115-L119 WeakPolarHBondContact O-CB 3.31Å; T115-L119 WeakPolarHBondContact O-CG 3.49Å; T115-L119 PolarHBondContact O-N 2.99Å; T115-P475 HydrophobicContact CG2-CB 4.39Å; T115-P475 HydrophobicContact CG2-CG 4.08Å; T115-A528 HydrophobicContact CG2-CB 4.27Å
116	A	97.9	Very high	92.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-43.3	176.4	0	0	0	0	0	111.5	V101 T105 G112 T113 V118 L119 A120 A528 A532	V101-A116 HydrophobicContact CG1-CB 3.63Å; T105-A116 HydrophobicContact CG2-CB 4.16Å; T105-A116 WeakPolarHBondContact OG1-CB 3.45Å; G112-A116 PolarHBondContact O-N 3.38Å; T113-A116 PolarHBondContact O-N 3.44Å; A116-V118 PolarHBondContact O-N 2.9Å; A116-L119 PolarHBondContact O-N 3.44Å; A116-A120 VanDerWaalsContact O-CB 3.3Å; A116-A120 WeakPolarHBondContact O-CB 3.22Å; A116-A120 PolarHBondContact O-N 3.03Å; A116-A528 HydrophobicContact CB-CB 3.9Å; A116-A532 VanDerWaalsContact O-CB 3.3Å; A116-A532 WeakPolarHBondContact O-CB 3.46Å
117	T	97.8	Very high	93	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-47.6	177.4	-60.2	0	0	0	0	113.1	L47 A48 V51 V98 T113 T114 T115 A120 R121	L47-T117 HydrophobicContact CD2-CG2 4.15Å; A48-T117 HydrophobicContact CB-CG2 3.8Å; V51-T117 HydrophobicContact CB-CG2 3.93Å; V51-T117 HydrophobicContact CG1-CG2 3.89Å; V51-T117 HydrophobicContact CG2-CG2 4.35Å; V98-T117 HydrophobicContact CG1-CG2 3.66Å; T113-T117 PolarHBondContact O-N 3.03Å; T113-T117 PolarHBondContact O-OG1 3.39Å; T113-T117 VanDerWaalsContact O-OG1 3.08Å; T114-T117 PolarHBondContact O-N 3.49Å; T115-T117 VanDerWaalsContact C-N 3.33Å; T115-T117 PolarHBondContact O-N 2.99Å; T117-A120 PolarHBondContact O-N 2.88Å; T117-R121 PolarHBondContact O-N 3.39Å
118	V	98.1	Very high	93.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.6	-32	-178.8	-59.7	0	0	0	0	112.7	A52 M55 T114 T115 A116 S122 I474 T478	A52-V118 HydrophobicContact CB-CG1 3.76Å; M55-V118 HydrophobicContact CE-CB 4.37Å; M55-V118 HydrophobicContact CE-CG1 4.05Å; M55-V118 HydrophobicContact CE-CG2 3.4Å; M55-V118 HydrophobicContact SD-CG2 4.38Å; T114-V118 PolarHBondContact O-N 3.15Å; T114-V118 VanDerWaalsContact O-N 3.12Å; T115-V118 VanDerWaalsContact O-CG2 3.3Å; T115-V118 WeakPolarHBondContact O-CG2 3.42Å; T115-V118 PolarHBondContact O-N 3.46Å; A116-V118 PolarHBondContact O-N 2.9Å; V118-S122 PolarHBondContact O-N 3.38Å; V118-S122 VanDerWaalsContact O-N 3.16Å; V118-I474 HydrophobicContact CB-CG2 4.02Å; V118-I474 HydrophobicContact CG2-CG2 4.05Å; V118-T478 HydrophobicContact CG1-CG2 4.45Å
119	L	98.4	Very high	94.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66	-45.8	172.6	-69.5	170.4	0	0	0	110.2	T115 A116 R121 S122 I123 L444 T471 P475 L529 A532	T115-L119 HydrophobicContact CG2-CD1 3.83Å; T115-L119 HydrophobicContact CG2-CG 4.4Å; T115-L119 WeakPolarHBondContact O-CB 3.31Å; T115-L119 WeakPolarHBondContact O-CG 3.49Å; T115-L119 PolarHBondContact O-N 2.99Å; A116-L119 PolarHBondContact O-N 3.44Å; L119-R121 PolarHBondContact O-N 3.49Å; L119-S122 WeakPolarHBondContact O-CB 3.43Å; L119-S122 PolarHBondContact O-N 3.35Å; L119-S122 VanDerWaalsContact O-N 3.15Å; L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.97Å; L119-L444 HydrophobicContact CD1-CD1 4.46Å; L119-T471 HydrophobicContact CB-CG2 4.31Å; L119-T471 HydrophobicContact CD2-CG2 3.51Å; L119-P475 HydrophobicContact CD2-CG 3.81Å; L119-P475 HydrophobicContact CG-CG 4.19Å; L119-L529 HydrophobicContact CD1-CB 4.38Å; L119-L529 HydrophobicContact CD1-CD1 4.27Å; L119-A532 HydrophobicContact CB-CB 3.71Å
120	A	98.1	Very high	94.3	Very high	3 Å²	3	23 Å²	23	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-60.8	-45	179.5	0	0	0	0	0	111.6	V101 A116 T117 S122 I123 A124 A532 A536	V101-A120 HydrophobicContact CG1-CB 4.22Å; V101-A120 HydrophobicContact CG2-CB 4.21Å; A116-A120 VanDerWaalsContact O-CB 3.3Å; A116-A120 WeakPolarHBondContact O-CB 3.22Å; A116-A120 PolarHBondContact O-N 3.03Å; T117-A120 PolarHBondContact O-N 2.88Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 3.31Å; A120-I123 PolarHBondContact O-N 2.81Å; A120-A124 WeakPolarHBondContact O-CB 3.33Å; A120-A124 PolarHBondContact O-N 3.48Å; A120-A532 HydrophobicContact CB-CB 3.96Å; A120-A536 HydrophobicContact CB-CB 4.29Å; A120-A536 WeakPolarHBondContact O-CB 3.35Å
121	R	97.8	Very high	94.4	Very high	41 Å²	41	23.3 Å²	23.3	16%	0.155	11%	0.114	C	C	.	.	H	α-helix	trans	-56.4	-47.8	173.6	179.9	-168	57.2	-162	-8.3	111.4	V44 D45 A48 D49 T117 L119 I123 A124 K125	V44-R121 HydrophobicContact CG1-CB 4.13Å; V44-R121 HydrophobicContact CG1-CG 4.18Å; D45-R121 WeakPolarHBondContact OD1-CD 3.36Å; D45-R121 WeakPolarHBondContact OD1-CG 3.39Å; A48-R121 HydrophobicContact CB-CB 3.71Å; A48-R121 HydrophobicContact CB-CG 3.98Å; D49-R121 IonicContact OD1-NH1 2.9Å; D49-R121 PolarHBondContact OD1-NH1 3.21Å; T117-R121 PolarHBondContact O-N 3.39Å; L119-R121 PolarHBondContact O-N 3.49Å; R121-I123 PolarHBondContact O-N 2.8Å; R121-A124 PolarHBondContact O-N 2.93Å; R121-K125 VanDerWaalsContact O-CB 3.31Å; R121-K125 WeakPolarHBondContact O-CB 3.49Å; R121-K125 PolarHBondContact O-N 3.19Å
122	S	98.1	Very high	93.3	Very high	11 Å²	11	25.5 Å²	25.5	8%	0.077	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-46.6	-179	179.7	0	0	0	0	112.3	V118 L119 A120 K125 E126 T471 I474	V118-S122 PolarHBondContact O-N 3.38Å; V118-S122 VanDerWaalsContact O-N 3.16Å; L119-S122 WeakPolarHBondContact O-CB 3.43Å; L119-S122 PolarHBondContact O-N 3.35Å; L119-S122 VanDerWaalsContact O-N 3.15Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 3.31Å; S122-K125 PolarHBondContact O-N 2.61Å; S122-E126 WeakPolarHBondContact O-CB 3.33Å; S122-E126 PolarHBondContact O-N 2.83Å; S122-T471 PolarHBondContact OG-OG1 3.37Å; S122-I474 WeakPolarHBondContact OG-CG1 2.94Å
123	I	97.6	Very high	92.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-43.8	179.4	-63.5	171.1	0	0	0	110.5	L119 A120 R121 G127 I467 I468 T471 A533 A536	L119-I123 WeakPolarHBondContact O-CG1 3.28Å; L119-I123 PolarHBondContact O-N 2.97Å; A120-I123 PolarHBondContact O-N 2.81Å; R121-I123 PolarHBondContact O-N 2.8Å; I123-G127 WeakPolarHBondContact O-CA 3.18Å; I123-G127 PolarHBondContact O-N 2.91Å; I123-I467 HydrophobicContact CB-CG2 4.47Å; I123-I467 HydrophobicContact CG1-CG2 4.44Å; I123-I467 HydrophobicContact CG2-CG2 4.27Å; I123-I468 HydrophobicContact CD1-CD1 3.7Å; I123-I468 HydrophobicContact CG1-CD1 4.05Å; I123-T471 HydrophobicContact CD1-CG2 4.09Å; I123-T471 HydrophobicContact CG1-CG2 3.69Å; I123-A533 HydrophobicContact CD1-CB 3.68Å; I123-A536 HydrophobicContact CB-CB 3.73Å; I123-A536 HydrophobicContact CG2-CB 3.68Å
124	A	96.1	Very high	91.2	Very high	1 Å²	1	37 Å²	37	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-46.7	178.3	0	0	0	0	0	111.7	V44 A120 R121 G127 F128 A536 L539	V44-A124 HydrophobicContact CG1-CB 4.34Å; A120-A124 WeakPolarHBondContact O-CB 3.33Å; A120-A124 PolarHBondContact O-N 3.48Å; R121-A124 PolarHBondContact O-N 2.93Å; A124-G127 PolarHBondContact O-N 3.34Å; A124-F128 WeakPolarHBondContact O-CB 3.45Å; A124-F128 VanDerWaalsContact O-CD2 3.28Å; A124-F128 WeakPolarHBondContact O-CD2 3.48Å; A124-F128 WeakPolarHBondContact O-CG 3.26Å; A124-F128 PolarHBondContact O-N 3.01Å; A124-A536 HydrophobicContact CB-CB 4.37Å; A124-L539 HydrophobicContact CB-CD2 4.4Å
125	K	95.5	Very high	90.7	Very high	97 Å²	97	37.2 Å²	37.2	42%	0.422	21%	0.206	S	C	.	.	H	α-helix	trans	-62.4	-55.4	179.8	-176.9	175.5	179.6	175.6	0	111.9	L41 R121 S122 G127 F128 E129	L41-K125 HydrophobicContact CD1-CB 4.13Å; L41-K125 HydrophobicContact CD2-CG 4.49Å; R121-K125 VanDerWaalsContact O-CB 3.31Å; R121-K125 WeakPolarHBondContact O-CB 3.49Å; R121-K125 PolarHBondContact O-N 3.19Å; S122-K125 PolarHBondContact O-N 2.61Å; K125-G127 VanDerWaalsContact C-N 3.29Å; K125-G127 PolarHBondContact O-N 3.11Å; K125-F128 PolarHBondContact O-N 3.44Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 2.77Å; K125-E129 VanDerWaalsContact O-N 3.11Å
126	E	94.4	Very high	90.5	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-36.3	-179.9	-72.8	-80.8	171.2	0	0	111.3	S122 K130 I467 K470	S122-E126 WeakPolarHBondContact O-CB 3.33Å; S122-E126 PolarHBondContact O-N 2.83Å; E126-K130 VanDerWaalsContact O-CG 3.22Å; E126-K130 WeakPolarHBondContact O-CG 3.31Å; E126-K130 PolarHBondContact O-N 3.1Å; E126-I467 HydrophobicContact CB-CG1 4.07Å; E126-I467 HydrophobicContact CB-CG2 4.03Å; E126-K470 HydrophobicContact CG-CD 4.42Å; E126-K470 WeakPolarHBondContact OE1-CD 3.29Å; E126-K470 IonicContact OE1-NZ 2.72Å; E126-K470 PolarHBondContact OE1-NZ 3.08Å; E126-K470 WeakPolarHBondContact OE2-CD 3.49Å; E126-K470 IonicContact OE2-NZ 2.78Å; E126-K470 PolarHBondContact OE2-NZ 2.96Å
127	G	93.1	Very high	90.3	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-48.6	175.4	0	0	0	0	0	113.1	I123 A124 K125 E129 K130 I131	I123-G127 WeakPolarHBondContact O-CA 3.18Å; I123-G127 PolarHBondContact O-N 2.91Å; A124-G127 PolarHBondContact O-N 3.34Å; K125-G127 VanDerWaalsContact C-N 3.29Å; K125-G127 PolarHBondContact O-N 3.11Å; G127-E129 VanDerWaalsContact C-N 3.32Å; G127-E129 PolarHBondContact O-N 2.94Å; G127-K130 PolarHBondContact O-N 3.36Å; G127-I131 WeakPolarHBondContact O-CD1 3.45Å; G127-I131 VanDerWaalsContact O-CG1 3.26Å; G127-I131 WeakPolarHBondContact O-CG1 3.33Å; G127-I131 PolarHBondContact O-N 3.37Å; G127-I131 VanDerWaalsContact O-N 3.1Å
128	F	91.4	Very high	90.2	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-36	178.2	-72.2	-34.3	0	0	0	113.1	R37 M40 L41 A124 K125 L539 T540	R37-F128 HydrophobicContact CB-CD1 4Å; R37-F128 HydrophobicContact CB-CE1 4.01Å; R37-F128 HydrophobicContact CB-CG 4.23Å; R37-F128 HydrophobicContact CB-CZ 4.29Å; R37-F128 HydrophobicContact CG-CD1 3.72Å; R37-F128 HydrophobicContact CG-CE1 3.55Å; R37-F128 HydrophobicContact CG-CG 4.45Å; R37-F128 HydrophobicContact CG-CZ 4.19Å; M40-F128 HydrophobicContact CE-CZ 4.17Å; L41-F128 HydrophobicContact CB-CD2 3.95Å; L41-F128 HydrophobicContact CB-CE2 4.07Å; L41-F128 HydrophobicContact CD1-CD2 4.13Å; L41-F128 HydrophobicContact CD1-CE2 4.49Å; L41-F128 HydrophobicContact CD2-CD2 4.27Å; L41-F128 HydrophobicContact CG-CD2 4.34Å; A124-F128 WeakPolarHBondContact O-CB 3.45Å; A124-F128 VanDerWaalsContact O-CD2 3.28Å; A124-F128 WeakPolarHBondContact O-CD2 3.48Å; A124-F128 WeakPolarHBondContact O-CG 3.26Å; A124-F128 PolarHBondContact O-N 3.01Å; K125-F128 PolarHBondContact O-N 3.44Å; F128-L539 HydrophobicContact CE2-CG 4.39Å; F128-L539 HydrophobicContact CZ-CD1 3.95Å; F128-L539 HydrophobicContact CZ-CD2 4.36Å; F128-L539 HydrophobicContact CZ-CG 3.75Å; F128-T540 HydrophobicContact CD1-CG2 4.25Å; F128-T540 HydrophobicContact CE1-CG2 4.41Å
129	E	88.8	Confident	90.1	Very high	98 Å²	98	44.6 Å²	44.6	46%	0.458	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-40.6	174.9	-74.4	179.9	-169.1	0	0	112	K125 G127 S132	K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 2.77Å; K125-E129 VanDerWaalsContact O-N 3.11Å; G127-E129 VanDerWaalsContact C-N 3.32Å; G127-E129 PolarHBondContact O-N 2.94Å; E129-S132 PolarHBondContact O-OG 3.4Å
130	K	87.4	Confident	90	Very high	73 Å²	73	44.7 Å²	44.7	32%	0.317	25%	0.247	S	C	.	.	H	α-helix	trans	-75.6	-33.3	-177.1	-64.7	-66.9	-179.7	176.7	0	113.6	E126 G127 S132 K133 T463	E126-K130 VanDerWaalsContact O-CG 3.22Å; E126-K130 WeakPolarHBondContact O-CG 3.31Å; E126-K130 PolarHBondContact O-N 3.1Å; G127-K130 PolarHBondContact O-N 3.36Å; K130-S132 VanDerWaalsContact C-N 3.26Å; K130-S132 PolarHBondContact O-N 3.26Å; K130-K133 PolarHBondContact O-N 3.19Å; K130-T463 HydrophobicContact CB-CG2 3.85Å; K130-T463 HydrophobicContact CD-CG2 3.89Å; K130-T463 HydrophobicContact CG-CG2 3.7Å
131	I	81.1	Confident	89.9	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-27.5	-179.5	-69.5	167.2	0	0	0	112.4	G127 K133 G134 P137 I140 T540	G127-I131 WeakPolarHBondContact O-CD1 3.45Å; G127-I131 VanDerWaalsContact O-CG1 3.26Å; G127-I131 WeakPolarHBondContact O-CG1 3.33Å; G127-I131 PolarHBondContact O-N 3.37Å; G127-I131 VanDerWaalsContact O-N 3.1Å; I131-K133 PolarHBondContact O-N 3.16Å; I131-G134 PolarHBondContact O-N 3.47Å; I131-P137 HydrophobicContact CD1-CB 3.7Å; I131-P137 HydrophobicContact CD1-CG 3.89Å; I131-P137 HydrophobicContact CG1-CB 4.15Å; I131-P137 HydrophobicContact CG1-CG 3.97Å; I131-P137 HydrophobicContact CG2-CG 3.86Å; I131-I140 HydrophobicContact CG1-CD1 4.02Å; I131-T540 WeakPolarHBondContact CD1-O 3.49Å
132	S	66.5	Low	89.9	Confident	85 Å²	85	52.5 Å²	52.5	59%	0.594	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.9	176.6	70.8	0	0	0	0	114.7	E129 K130	E129-S132 PolarHBondContact O-OG 3.4Å; K130-S132 VanDerWaalsContact C-N 3.26Å; K130-S132 PolarHBondContact O-N 3.26Å
133	K	69	Low	89.8	Confident	172 Å²	172	52 Å²	52	75%	0.748	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	18.7	-176	-59.8	-170.5	179	-172.6	0	115	K130 I131 A135	K130-K133 PolarHBondContact O-N 3.19Å; I131-K133 PolarHBondContact O-N 3.16Å; K133-A135 VanDerWaalsContact C-N 3.33Å
134	G	73.1	Confident	89.8	Confident	78 Å²	78	52 Å²	52	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	16.9	-179.7	0	0	0	0	0	114.3	I131	I131-G134 PolarHBondContact O-N 3.47Å
135	A	86.5	Confident	89.9	Confident	23 Å²	23	53.9 Å²	53.9	19%	0.19	28%	0.282	C	S	.	.			trans	-73.8	152.5	175.8	0	0	0	0	0	111.5	K133 P137 I140 D460	K133-A135 VanDerWaalsContact C-N 3.33Å; A135-P137 VanDerWaalsContact O-CD 3.25Å; A135-P137 WeakPolarHBondContact O-CD 3.47Å; A135-I140 HydrophobicContact CB-CD1 3.73Å; A135-D460 WeakPolarHBondContact CA-OD1 3.47Å; A135-D460 WeakPolarHBondContact CB-OD1 3.44Å
136	N	93.6	Very high	90	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	28%	0.282	S	S	.	.			trans	-84.1	110.4	175.7	-177.1	-12.5	0	0	0	110.9	V138 E139 I140 D460	N136-V138 PolarHBondContact O-N 3.07Å; N136-V138 VanDerWaalsContact O-N 3.17Å; N136-V138 PolarHBondContact OD1-N 3.21Å; N136-E139 HydrophobicContact CB-CB 4.18Å; N136-E139 HydrophobicContact CB-CG 4.27Å; N136-E139 PolarHBondContact O-N 2.8Å; N136-I140 WeakPolarHBondContact O-CG1 3.31Å; N136-I140 PolarHBondContact O-N 3.04Å; N136-D460 VanDerWaalsContact CB-OD2 3.28Å; N136-D460 WeakPolarHBondContact CB-OD2 3.38Å; N136-D460 PolarHBondContact N-OD1 3.18Å; N136-D460 PolarHBondContact N-OD2 3.35Å
137	P	93.6	Very high	90.2	Very high	24 Å²	24	51.5 Å²	51.5	16%	0.156	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-30.3	-176.5	-23.2	35.2	0	0	0	113.8	I131 A135 I140 R141 T541	I131-P137 HydrophobicContact CD1-CB 3.7Å; I131-P137 HydrophobicContact CD1-CG 3.89Å; I131-P137 HydrophobicContact CG1-CB 4.15Å; I131-P137 HydrophobicContact CG1-CG 3.97Å; I131-P137 HydrophobicContact CG2-CG 3.86Å; A135-P137 VanDerWaalsContact O-CD 3.25Å; A135-P137 WeakPolarHBondContact O-CD 3.47Å; P137-I140 PolarHBondContact O-N 3.32Å; P137-R141 PolarHBondContact O-N 3.03Å; P137-T541 HydrophobicContact CB-CG2 3.99Å
138	V	95.8	Very high	90.4	Very high	71 Å²	71	51.5 Å²	51.5	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-72.6	-39.5	-178.5	-178.9	0	0	0	0	110.8	N136 R141 R142	N136-V138 PolarHBondContact O-N 3.07Å; N136-V138 VanDerWaalsContact O-N 3.17Å; N136-V138 PolarHBondContact OD1-N 3.21Å; V138-R141 PolarHBondContact O-N 3.5Å; V138-R142 WeakPolarHBondContact O-CG 3.44Å; V138-R142 PolarHBondContact O-N 2.86Å
139	E	96.3	Very high	90.7	Very high	27 Å²	27	55.4 Å²	55.4	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-37	174.2	-72.6	-60.9	133.2	0	0	111.7	N136 R141 R142 G143 N458 D460 Q461	N136-E139 HydrophobicContact CB-CB 4.18Å; N136-E139 HydrophobicContact CB-CG 4.27Å; N136-E139 PolarHBondContact O-N 2.8Å; E139-R141 VanDerWaalsContact C-N 3.34Å; E139-R141 PolarHBondContact O-N 2.96Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.37Å; E139-R142 IonicContact OE1-CZ 2.69Å; E139-R142 IonicContact OE1-NE 2.94Å; E139-R142 IonicContact OE1-NH1 3.28Å; E139-R142 PolarHBondContact OE1-NH1 3.4Å; E139-G143 PolarHBondContact O-N 3.44Å; E139-N458 PolarHBondContact OE2-ND2 3.35Å; E139-D460 HydrophobicContact CB-CB 3.49Å; E139-D460 VanDerWaalsContact CB-CB 3.49Å; E139-Q461 WeakPolarHBondContact O-CG 3.41Å; E139-Q461 PolarHBondContact OE2-NE2 3.26Å
140	I	96.1	Very high	91.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-47.8	170.9	-67.6	170.4	0	0	0	110.1	I131 A135 N136 P137 R142 G143 V144 D460 T463 I467	I131-I140 HydrophobicContact CG1-CD1 4.02Å; A135-I140 HydrophobicContact CB-CD1 3.73Å; N136-I140 WeakPolarHBondContact O-CG1 3.31Å; N136-I140 PolarHBondContact O-N 3.04Å; P137-I140 PolarHBondContact O-N 3.32Å; I140-R142 VanDerWaalsContact C-N 3.3Å; I140-R142 PolarHBondContact O-N 3.49Å; I140-G143 PolarHBondContact O-N 2.86Å; I140-G143 VanDerWaalsContact O-N 3.1Å; I140-V144 HydrophobicContact CG2-CG2 4.33Å; I140-V144 WeakPolarHBondContact O-CG2 3.44Å; I140-V144 PolarHBondContact O-N 3.23Å; I140-D460 HydrophobicContact CG1-CB 4.1Å; I140-T463 HydrophobicContact CD1-CG2 4.44Å; I140-I467 HydrophobicContact CG2-CD1 3.7Å
141	R	96.7	Very high	91.6	Very high	70 Å²	70	48.6 Å²	48.6	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-56.3	-43.1	175.6	171.8	174.8	174.7	89.2	-7.2	111.8	P137 V138 E139 G143 V144 M145 G534 S537 T541	P137-R141 PolarHBondContact O-N 3.03Å; V138-R141 PolarHBondContact O-N 3.5Å; E139-R141 VanDerWaalsContact C-N 3.34Å; E139-R141 PolarHBondContact O-N 2.96Å; R141-G143 PolarHBondContact O-N 3.28Å; R141-V144 PolarHBondContact O-N 3.34Å; R141-M145 HydrophobicContact CG-CG 4.43Å; R141-M145 VanDerWaalsContact O-CG 3.31Å; R141-M145 WeakPolarHBondContact O-CG 3.47Å; R141-M145 PolarHBondContact O-N 3.32Å; R141-G534 PolarHBondContact NH1-O 2.88Å; R141-S537 PolarHBondContact NH1-OG 3.24Å; R141-T541 HydrophobicContact CB-CG2 4.41Å
142	R	96.7	Very high	92.4	Very high	139 Å²	139	49 Å²	49	53%	0.525	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-45.5	175.1	-71.5	174.2	178.1	177.9	-4.1	111.6	V138 E139 I140 V144 M145 L146 Q461	V138-R142 WeakPolarHBondContact O-CG 3.44Å; V138-R142 PolarHBondContact O-N 2.86Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.37Å; E139-R142 IonicContact OE1-CZ 2.69Å; E139-R142 IonicContact OE1-NE 2.94Å; E139-R142 IonicContact OE1-NH1 3.28Å; E139-R142 PolarHBondContact OE1-NH1 3.4Å; I140-R142 VanDerWaalsContact C-N 3.3Å; I140-R142 PolarHBondContact O-N 3.49Å; R142-V144 PolarHBondContact O-N 3.14Å; R142-M145 PolarHBondContact O-N 3.34Å; R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.44Å; R142-L146 PolarHBondContact O-N 3.49Å; R142-Q461 HydrophobicContact CB-CG 4.43Å
143	G	97.1	Very high	93.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-40.8	175.4	0	0	0	0	0	113.5	E139 I140 R141 L146 A147 Q461	E139-G143 PolarHBondContact O-N 3.44Å; I140-G143 PolarHBondContact O-N 2.86Å; I140-G143 VanDerWaalsContact O-N 3.1Å; R141-G143 PolarHBondContact O-N 3.28Å; G143-L146 PolarHBondContact O-N 3.01Å; G143-A147 WeakPolarHBondContact O-CB 3.29Å; G143-A147 PolarHBondContact O-N 3.36Å; G143-Q461 WeakPolarHBondContact CA-O 2.99Å
144	V	97.7	Very high	95.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-48	174.9	170	0	0	0	0	110.9	I140 R141 R142 A147 V148 G464 I467 I468 A533	I140-V144 HydrophobicContact CG2-CG2 4.33Å; I140-V144 WeakPolarHBondContact O-CG2 3.44Å; I140-V144 PolarHBondContact O-N 3.23Å; R141-V144 PolarHBondContact O-N 3.34Å; R142-V144 PolarHBondContact O-N 3.14Å; V144-A147 WeakPolarHBondContact O-CB 3.42Å; V144-A147 PolarHBondContact O-N 2.87Å; V144-V148 VanDerWaalsContact O-CG2 3.3Å; V144-V148 WeakPolarHBondContact O-CG2 3.33Å; V144-V148 PolarHBondContact O-N 3.45Å; V144-G464 WeakPolarHBondContact CG2-O 3.33Å; V144-I467 HydrophobicContact CG2-CB 4.49Å; V144-I468 HydrophobicContact CB-CG1 4.39Å; V144-I468 HydrophobicContact CG1-CD1 3.8Å; V144-I468 HydrophobicContact CG1-CG1 3.85Å; V144-I468 HydrophobicContact CG2-CG1 4.49Å; V144-A533 HydrophobicContact CG1-CB 4.16Å
145	M	97.8	Very high	96.3	Very high	42 Å²	42	37.7 Å²	37.7	21%	0.207	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-41.3	179.6	-63.1	-68.9	89.9	0	0	112.2	R141 R142 A147 V148 D149 A533	R141-M145 HydrophobicContact CG-CG 4.43Å; R141-M145 VanDerWaalsContact O-CG 3.31Å; R141-M145 WeakPolarHBondContact O-CG 3.47Å; R141-M145 PolarHBondContact O-N 3.32Å; R142-M145 PolarHBondContact O-N 3.34Å; M145-A147 VanDerWaalsContact C-N 3.3Å; M145-A147 PolarHBondContact O-N 3.12Å; M145-V148 HydrophobicContact CE-CG2 4.23Å; M145-V148 PolarHBondContact O-N 2.71Å; M145-D149 PolarHBondContact O-N 3.38Å; M145-A533 HydrophobicContact CE-CB 3.52Å; M145-A533 WeakPolarHBondContact CE-O 3.43Å
146	L	97.3	Very high	96.8	Very high	80 Å²	80	42.6 Å²	42.6	42%	0.419	22%	0.217	S	C	.	.	H	α-helix	trans	-58.1	-41.8	173.3	-74.4	168.6	0	0	0	112.3	R142 G143 A150	R142-L146 VanDerWaalsContact O-CG 3.31Å; R142-L146 WeakPolarHBondContact O-CG 3.44Å; R142-L146 PolarHBondContact O-N 3.49Å; G143-L146 PolarHBondContact O-N 3.01Å; L146-A150 PolarHBondContact O-N 3.22Å
147	A	97.9	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-41.8	176.2	0	0	0	0	0	112.1	G143 V144 M145 A150 V151 L451 I465 I468	G143-A147 WeakPolarHBondContact O-CB 3.29Å; G143-A147 PolarHBondContact O-N 3.36Å; V144-A147 WeakPolarHBondContact O-CB 3.42Å; V144-A147 PolarHBondContact O-N 2.87Å; M145-A147 VanDerWaalsContact C-N 3.3Å; M145-A147 PolarHBondContact O-N 3.12Å; A147-A150 PolarHBondContact O-N 3.08Å; A147-V151 VanDerWaalsContact O-CG2 3.26Å; A147-V151 WeakPolarHBondContact O-CG2 3.5Å; A147-V151 PolarHBondContact O-N 3.39Å; A147-L451 HydrophobicContact CB-CD2 3.65Å; A147-L451 WeakPolarHBondContact O-CD2 3.18Å; A147-I465 HydrophobicContact CB-CB 4.42Å; A147-I465 HydrophobicContact CB-CG1 4.18Å; A147-I465 HydrophobicContact CB-CG2 4.42Å; A147-I468 HydrophobicContact CB-CB 3.83Å; A147-I468 HydrophobicContact CB-CG1 3.95Å; A147-I468 HydrophobicContact CB-CG2 3.98Å
148	V	97.9	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-46.3	177.1	170.7	0	0	0	0	111	V144 M145 A150 V151 I152 I468 L529 L530 A533	V144-V148 VanDerWaalsContact O-CG2 3.3Å; V144-V148 WeakPolarHBondContact O-CG2 3.33Å; V144-V148 PolarHBondContact O-N 3.45Å; M145-V148 HydrophobicContact CE-CG2 4.23Å; M145-V148 PolarHBondContact O-N 2.71Å; V148-A150 VanDerWaalsContact C-N 3.3Å; V148-A150 PolarHBondContact O-N 3.33Å; V148-V151 PolarHBondContact O-N 3.09Å; V148-V151 VanDerWaalsContact O-N 3.14Å; V148-I152 HydrophobicContact CG1-CD1 3.64Å; V148-I152 HydrophobicContact CG1-CG1 4.19Å; V148-I152 VanDerWaalsContact O-CG1 3.28Å; V148-I152 WeakPolarHBondContact O-CG1 3.37Å; V148-I152 PolarHBondContact O-N 2.67Å; V148-I468 HydrophobicContact CG2-CD1 4.03Å; V148-I468 HydrophobicContact CG2-CG1 4.25Å; V148-L529 HydrophobicContact CG1-CD2 4.49Å; V148-L529 HydrophobicContact CG1-CG 4.35Å; V148-L529 HydrophobicContact CG2-CG 4.4Å; V148-L530 HydrophobicContact CG1-CD1 4.03Å; V148-A533 HydrophobicContact CG2-CB 3.5Å
149	D	97.3	Very high	97	Very high	97 Å²	97	45.4 Å²	45.4	52%	0.519	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-42.7	178.3	-70.7	-23.8	0	0	0	111.7	M145 I152 A153	M145-D149 PolarHBondContact O-N 3.38Å; D149-I152 PolarHBondContact O-N 3.37Å; D149-A153 WeakPolarHBondContact O-CB 3.35Å; D149-A153 PolarHBondContact O-N 2.93Å
150	A	97.9	Very high	96.9	Very high	28 Å²	28	50.4 Å²	50.4	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-41.8	176.1	0	0	0	0	0	112.5	L146 A147 V148 A153 E154 I454	L146-A150 PolarHBondContact O-N 3.22Å; A147-A150 PolarHBondContact O-N 3.08Å; V148-A150 VanDerWaalsContact C-N 3.3Å; V148-A150 PolarHBondContact O-N 3.33Å; A150-A153 PolarHBondContact O-N 3.15Å; A150-E154 WeakPolarHBondContact O-CB 3.25Å; A150-E154 PolarHBondContact O-N 3.28Å; A150-I454 HydrophobicContact CB-CD1 3.56Å; A150-I454 HydrophobicContact CB-CG1 4.26Å
151	V	98	Very high	96.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-43.4	176.4	169.8	0	0	0	0	110.9	A147 V148 A153 E154 L155 L444 C447 L451 I468 L472 L529	A147-V151 VanDerWaalsContact O-CG2 3.26Å; A147-V151 WeakPolarHBondContact O-CG2 3.5Å; A147-V151 PolarHBondContact O-N 3.39Å; V148-V151 PolarHBondContact O-N 3.09Å; V148-V151 VanDerWaalsContact O-N 3.14Å; V151-A153 VanDerWaalsContact C-N 3.35Å; V151-A153 PolarHBondContact O-N 3.44Å; V151-E154 PolarHBondContact O-N 2.86Å; V151-L155 HydrophobicContact CG1-CD1 4.12Å; V151-L155 HydrophobicContact CG1-CG 4.33Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.43Å; V151-L444 HydrophobicContact CG1-CD2 4.45Å; V151-C447 HydrophobicContact CB-CB 4.35Å; V151-C447 HydrophobicContact CG1-CB 3.77Å; V151-C447 HydrophobicContact CG2-CB 4.16Å; V151-L451 HydrophobicContact CG2-CD1 4.37Å; V151-L451 HydrophobicContact CG2-CD2 3.69Å; V151-L451 HydrophobicContact CG2-CG 4.11Å; V151-I468 HydrophobicContact CG2-CG2 4.44Å; V151-L472 HydrophobicContact CG1-CD2 4.15Å; V151-L472 HydrophobicContact CG2-CD1 3.85Å; V151-L472 HydrophobicContact CG2-CD2 4.47Å; V151-L529 HydrophobicContact CB-CD2 4.03Å; V151-L529 HydrophobicContact CG1-CD2 3.43Å; V151-L529 VanDerWaalsContact CG1-CD2 3.43Å
152	I	97.1	Very high	96.6	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-42.3	178.2	-68.1	176.7	0	0	0	110.8	V148 D149 E154 L155 K156 R526 L530	V148-I152 HydrophobicContact CG1-CD1 3.64Å; V148-I152 HydrophobicContact CG1-CG1 4.19Å; V148-I152 VanDerWaalsContact O-CG1 3.28Å; V148-I152 WeakPolarHBondContact O-CG1 3.37Å; V148-I152 PolarHBondContact O-N 2.67Å; D149-I152 PolarHBondContact O-N 3.37Å; I152-E154 VanDerWaalsContact C-N 3.26Å; I152-E154 PolarHBondContact O-N 2.95Å; I152-L155 PolarHBondContact O-N 3.01Å; I152-K156 WeakPolarHBondContact O-CG 3.26Å; I152-K156 PolarHBondContact O-N 3.16Å; I152-R526 HydrophobicContact CB-CG 4.37Å; I152-R526 HydrophobicContact CD1-CG 3.89Å; I152-R526 HydrophobicContact CG1-CG 3.88Å; I152-R526 HydrophobicContact CG2-CG 3.7Å; I152-L530 HydrophobicContact CD1-CB 4.14Å; I152-L530 HydrophobicContact CD1-CD1 4.11Å
153	A	97	Very high	96.1	Very high	50 Å²	50	50 Å²	50	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-38.7	175.4	0	0	0	0	0	111.6	D149 A150 V151 K157	D149-A153 WeakPolarHBondContact O-CB 3.35Å; D149-A153 PolarHBondContact O-N 2.93Å; A150-A153 PolarHBondContact O-N 3.15Å; V151-A153 VanDerWaalsContact C-N 3.35Å; V151-A153 PolarHBondContact O-N 3.44Å; A153-K157 WeakPolarHBondContact O-CG 3.45Å; A153-K157 PolarHBondContact O-N 3.46Å
154	E	97.3	Very high	95.8	Very high	47 Å²	47	52.3 Å²	52.3	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-71.6	-42.3	177	-173.8	55.2	-148	0	0	112.5	A150 V151 I152 K156 K157 Q158 C447 A450	A150-E154 WeakPolarHBondContact O-CB 3.25Å; A150-E154 PolarHBondContact O-N 3.28Å; V151-E154 PolarHBondContact O-N 2.86Å; I152-E154 VanDerWaalsContact C-N 3.26Å; I152-E154 PolarHBondContact O-N 2.95Å; E154-K156 VanDerWaalsContact C-N 3.27Å; E154-K156 PolarHBondContact O-N 3.41Å; E154-K157 WeakPolarHBondContact O-CB 3.26Å; E154-K157 PolarHBondContact O-N 3.16Å; E154-K157 WeakPolarHBondContact OE2-CD 3.31Å; E154-K157 IonicContact OE2-NZ 2.9Å; E154-K157 PolarHBondContact OE2-NZ 2.98Å; E154-Q158 WeakPolarHBondContact O-CG 3.44Å; E154-Q158 PolarHBondContact O-N 3.47Å; E154-Q158 PolarHBondContact OE1-NE2 3.37Å; E154-Q158 VanDerWaalsContact OE1-NE2 3.12Å; E154-C447 HydrophobicContact CG-CB 4.41Å; E154-A450 HydrophobicContact CB-CB 4.07Å; E154-A450 HydrophobicContact CG-CB 4.02Å
155	L	96.9	Very high	95.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-42.2	173	-76.9	171.9	0	0	0	111.8	V151 I152 K157 Q158 S159 A443 L444 V525	V151-L155 HydrophobicContact CG1-CD1 4.12Å; V151-L155 HydrophobicContact CG1-CG 4.33Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.43Å; I152-L155 PolarHBondContact O-N 3.01Å; L155-K157 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 3.28Å; L155-Q158 PolarHBondContact O-N 3.02Å; L155-S159 PolarHBondContact O-N 3.48Å; L155-A443 HydrophobicContact CD2-CB 3.8Å; L155-L444 HydrophobicContact CD1-CD2 4.28Å; L155-V525 HydrophobicContact CD1-CG1 3.95Å; L155-V525 HydrophobicContact CD2-CG1 4.14Å
156	K	96.1	Very high	94.9	Very high	125 Å²	125	57.8 Å²	57.8	54%	0.543	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-32.4	176.6	-74	-177.1	178.3	-175.2	0	113	I152 E154	I152-K156 WeakPolarHBondContact O-CG 3.26Å; I152-K156 PolarHBondContact O-N 3.16Å; E154-K156 VanDerWaalsContact C-N 3.27Å; E154-K156 PolarHBondContact O-N 3.41Å
157	K	96.8	Very high	94.7	Very high	155 Å²	155	55.9 Å²	55.9	67%	0.674	30%	0.297	S	S	*	.	H	α-helix	trans	-72.9	-34.1	174.3	-66.9	173.3	-167.6	165.1	0	112.4	A153 E154 L155 S159	A153-K157 WeakPolarHBondContact O-CG 3.45Å; A153-K157 PolarHBondContact O-N 3.46Å; E154-K157 WeakPolarHBondContact O-CB 3.26Å; E154-K157 PolarHBondContact O-N 3.16Å; E154-K157 WeakPolarHBondContact OE2-CD 3.31Å; E154-K157 IonicContact OE2-NZ 2.9Å; E154-K157 PolarHBondContact OE2-NZ 2.98Å; L155-K157 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 3.28Å; K157-S159 VanDerWaalsContact C-N 3.33Å
158	Q	94.2	Very high	94.4	Very high	48 Å²	48	56.3 Å²	56.3	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-76.7	-23.2	177.7	-65.1	177.9	21.3	0	0	112.6	E154 L155 V437 R446	E154-Q158 WeakPolarHBondContact O-CG 3.44Å; E154-Q158 PolarHBondContact O-N 3.47Å; E154-Q158 PolarHBondContact OE1-NE2 3.37Å; E154-Q158 VanDerWaalsContact OE1-NE2 3.12Å; L155-Q158 PolarHBondContact O-N 3.02Å; Q158-V437 HydrophobicContact CB-CG1 4.39Å; Q158-R446 PolarHBondContact NE2-O 3.43Å
159	S	96.6	Very high	94.2	Very high	24 Å²	24	56.9 Å²	56.9	17%	0.168	30%	0.304	C	S	.	.			trans	-60	136.4	-179.1	-170.2	0	0	0	0	112.3	L155 K157 E434 I436 T522	L155-S159 PolarHBondContact O-N 3.48Å; K157-S159 VanDerWaalsContact C-N 3.33Å; S159-E434 PolarHBondContact OG-O 3.44Å; S159-I436 WeakPolarHBondContact CA-O 3.32Å; S159-T522 WeakPolarHBondContact CB-OG1 3.34Å; S159-T522 PolarHBondContact OG-OG1 2.88Å
160	K	94.8	Very high	94	Very high	131 Å²	131	55.1 Å²	55.1	57%	0.57	29%	0.293	S	S	*	.	B	Isolated β-bridge	trans	-115.7	131	172.4	-64.6	-179.3	-176.1	176.6	0	109.5	G435 I436	K160-G435 CarbonylContact O-C 3.49Å; K160-G435 VanDerWaalsContact O-CA 3.28Å; K160-G435 WeakPolarHBondContact O-CA 3.44Å; K160-I436 PolarHBondContact N-O 3.05Å; K160-I436 VanDerWaalsContact O-CG1 3.28Å; K160-I436 WeakPolarHBondContact O-CG1 3.36Å; K160-I436 PolarHBondContact O-N 2.97Å
161	P	94.8	Very high	93.8	Very high	100 Å²	100	53.9 Å²	53.9	65%	0.649	28%	0.282	S	S	*	.			trans	-61.6	140.6	175	-23.3	33.7	0	0	0	111.7	T163	P161-T163 PolarHBondContact O-N 3.09Å
162	V	91.4	Very high	93.7	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.048	28%	0.282	C	S	.	.			trans	-74.2	120.1	174.8	178.4	0	0	0	0	109.7	E167 I168 R195 A431 I436	V162-E167 HydrophobicContact CG1-CB 3.87Å; V162-I168 HydrophobicContact CG1-CD1 4.45Å; V162-I168 HydrophobicContact CG1-CG1 3.64Å; V162-R195 PolarHBondContact O-NH1 3.02Å; V162-A431 HydrophobicContact CG2-CB 4.01Å; V162-A431 WeakPolarHBondContact CG2-O 3.44Å; V162-I436 HydrophobicContact CG2-CB 4.36Å; V162-I436 HydrophobicContact CG2-CD1 4.29Å; V162-I436 HydrophobicContact CG2-CG1 4.05Å; V162-I436 HydrophobicContact CG2-CG2 3.5Å
163	T	87.4	Confident	93.6	Very high	94 Å²	94	54 Å²	54	58%	0.577	28%	0.284	S	S	*	.			trans	-114.4	-34	-176	58.7	0	0	0	0	112.3	P161 E167 R195	P161-T163 PolarHBondContact O-N 3.09Å; T163-E167 PolarHBondContact N-OE2 3.43Å; T163-E167 PolarHBondContact OG1-OE2 3.49Å; T163-R195 PolarHBondContact O-NH2 2.97Å
164	T	88.9	Confident	93.4	Very high	48 Å²	48	54.3 Å²	54.3	29%	0.294	28%	0.278	S	S	.	.	S	Bend	trans	-104.9	146.9	-172.4	66.1	0	0	0	0	112	E166 E167 I168	T164-E166 WeakPolarHBondContact CB-OE2 3.46Å; T164-E166 PolarHBondContact O-N 3.48Å; T164-E167 PolarHBondContact N-OE2 3.09Å; T164-E167 PolarHBondContact O-N 3.38Å; T164-E167 WeakPolarHBondContact OG1-CB 3.12Å; T164-E167 WeakPolarHBondContact OG1-CG 3.44Å; T164-E167 PolarHBondContact OG1-N 3.42Å; T164-E167 PolarHBondContact OG1-OE2 3.5Å; T164-I168 PolarHBondContact O-N 2.67Å
165	P	88.1	Confident	93.1	Very high	43 Å²	43	53.2 Å²	53.2	28%	0.279	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-22.9	172.5	-19.4	31	0	0	0	113.8	I168 A169 S187 K191	P165-I168 WeakPolarHBondContact O-CB 3.49Å; P165-I168 PolarHBondContact O-N 2.78Å; P165-A169 PolarHBondContact O-N 3.03Å; P165-S187 PolarHBondContact O-OG 3.13Å; P165-K191 HydrophobicContact CB-CD 4.32Å; P165-K191 HydrophobicContact CB-CG 4.3Å
166	E	90.1	Very high	92.9	Very high	115 Å²	115	53.2 Å²	53.2	54%	0.537	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-42.6	175	-66.4	68.8	-149.6	0	0	111.1	T164 I168 A169 Q170	T164-E166 WeakPolarHBondContact CB-OE2 3.46Å; T164-E166 PolarHBondContact O-N 3.48Å; E166-I168 VanDerWaalsContact C-N 3.3Å; E166-I168 PolarHBondContact O-N 3.34Å; E166-A169 PolarHBondContact O-N 3.45Å; E166-Q170 VanDerWaalsContact O-CG 3.29Å; E166-Q170 WeakPolarHBondContact O-CG 3.36Å; E166-Q170 PolarHBondContact O-N 3.37Å
167	E	91.3	Very high	92.7	Very high	40 Å²	40	50 Å²	50	19%	0.187	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-39.4	172.9	-74.8	162.1	157	0	0	111.3	V162 T163 T164 Q170 V171 I436	V162-E167 HydrophobicContact CG1-CB 3.87Å; T163-E167 PolarHBondContact N-OE2 3.43Å; T163-E167 PolarHBondContact OG1-OE2 3.49Å; T164-E167 PolarHBondContact N-OE2 3.09Å; T164-E167 PolarHBondContact O-N 3.38Å; T164-E167 WeakPolarHBondContact OG1-CB 3.12Å; T164-E167 WeakPolarHBondContact OG1-CG 3.44Å; T164-E167 PolarHBondContact OG1-N 3.42Å; T164-E167 PolarHBondContact OG1-OE2 3.5Å; E167-Q170 WeakPolarHBondContact O-CB 3.46Å; E167-Q170 PolarHBondContact O-N 2.9Å; E167-V171 WeakPolarHBondContact O-CG2 3.4Å; E167-V171 PolarHBondContact O-N 3.38Å; E167-I436 HydrophobicContact CG-CD1 4.33Å
168	I	92	Very high	92.4	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-46.3	174.6	-63	176.7	0	0	0	110.4	V162 T164 P165 E166 Q170 V171 A172 M190 T428 V432	V162-I168 HydrophobicContact CG1-CD1 4.45Å; V162-I168 HydrophobicContact CG1-CG1 3.64Å; T164-I168 PolarHBondContact O-N 2.67Å; P165-I168 WeakPolarHBondContact O-CB 3.49Å; P165-I168 PolarHBondContact O-N 2.78Å; E166-I168 VanDerWaalsContact C-N 3.3Å; E166-I168 PolarHBondContact O-N 3.34Å; I168-Q170 VanDerWaalsContact C-N 3.3Å; I168-Q170 PolarHBondContact O-N 3.05Å; I168-V171 PolarHBondContact O-N 2.94Å; I168-A172 WeakPolarHBondContact O-CB 3.41Å; I168-A172 PolarHBondContact O-N 3.24Å; I168-M190 HydrophobicContact CG2-SD 3.53Å; I168-M190 VanDerWaalsContact CG2-SD 3.53Å; I168-T428 HydrophobicContact CG2-CG2 3.89Å; I168-T428 WeakPolarHBondContact O-CG2 3.47Å; I168-V432 HydrophobicContact CD1-CG2 4.41Å
169	A	94.2	Very high	92.3	Very high	12 Å²	12	44.4 Å²	44.4	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-37.5	177.8	0	0	0	0	0	111.8	P165 E166 T173	P165-A169 PolarHBondContact O-N 3.03Å; E166-A169 PolarHBondContact O-N 3.45Å; A169-T173 VanDerWaalsContact O-CB 3.26Å; A169-T173 WeakPolarHBondContact O-CB 3.45Å; A169-T173 PolarHBondContact O-N 2.99Å; A169-T173 PolarHBondContact O-OG1 3.1Å
170	Q	93.2	Very high	92.2	Very high	60 Å²	60	50.5 Å²	50.5	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-51.8	175.8	-74.4	171.9	-7.4	0	0	111.4	E166 E167 I168 A172 T173 I174 I519	E166-Q170 VanDerWaalsContact O-CG 3.29Å; E166-Q170 WeakPolarHBondContact O-CG 3.36Å; E166-Q170 PolarHBondContact O-N 3.37Å; E167-Q170 WeakPolarHBondContact O-CB 3.46Å; E167-Q170 PolarHBondContact O-N 2.9Å; I168-Q170 VanDerWaalsContact C-N 3.3Å; I168-Q170 PolarHBondContact O-N 3.05Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-A172 PolarHBondContact O-N 3.39Å; Q170-T173 PolarHBondContact O-N 3.43Å; Q170-T173 VanDerWaalsContact O-N 3.15Å; Q170-I174 WeakPolarHBondContact O-CG1 3.12Å; Q170-I174 PolarHBondContact O-N 3.07Å; Q170-I519 HydrophobicContact CB-CD1 4Å; Q170-I519 HydrophobicContact CB-CG1 4.31Å
171	V	94.2	Very high	92.1	Very high	2 Å²	2	49 Å²	49	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-55.6	-48.3	176.5	172.8	0	0	0	0	110.8	E167 I168 T173 I174 S175 A427 T428 A431 I436 I519 P521	E167-V171 WeakPolarHBondContact O-CG2 3.4Å; E167-V171 PolarHBondContact O-N 3.38Å; I168-V171 PolarHBondContact O-N 2.94Å; V171-T173 PolarHBondContact O-N 3.48Å; V171-I174 PolarHBondContact O-N 3.35Å; V171-S175 WeakPolarHBondContact O-CB 3.2Å; V171-S175 PolarHBondContact O-N 3.45Å; V171-A427 HydrophobicContact CG1-CB 4.1Å; V171-T428 HydrophobicContact CB-CG2 4.25Å; V171-T428 HydrophobicContact CG1-CG2 4.09Å; V171-A431 HydrophobicContact CG1-CB 4Å; V171-A431 HydrophobicContact CG2-CB 4.04Å; V171-I436 HydrophobicContact CG2-CG2 3.7Å; V171-I519 HydrophobicContact CG2-CD1 3.63Å; V171-I519 HydrophobicContact CG2-CG1 3.93Å; V171-P521 HydrophobicContact CG1-CG 3.93Å
172	A	95.1	Very high	92.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-43.1	178.3	0	0	0	0	0	112.3	I168 Q170 A176 I186 A424 T428	I168-A172 WeakPolarHBondContact O-CB 3.41Å; I168-A172 PolarHBondContact O-N 3.24Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-A172 PolarHBondContact O-N 3.39Å; A172-A176 WeakPolarHBondContact O-CB 3.35Å; A172-A176 PolarHBondContact O-N 2.87Å; A172-I186 HydrophobicContact CB-CB 4.13Å; A172-I186 HydrophobicContact CB-CD1 4.16Å; A172-I186 HydrophobicContact CB-CG2 4.14Å; A172-A424 HydrophobicContact CB-CB 4.46Å; A172-A424 WeakPolarHBondContact O-CB 3.46Å; A172-T428 HydrophobicContact CB-CG2 3.59Å
173	T	94.9	Very high	92.3	Very high	21 Å²	21	44 Å²	44	13%	0.129	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-44.7	179.1	-61.2	0	0	0	0	111.3	A169 Q170 V171 A176 G178 D179 K180	A169-T173 VanDerWaalsContact O-CB 3.26Å; A169-T173 WeakPolarHBondContact O-CB 3.45Å; A169-T173 PolarHBondContact O-N 2.99Å; A169-T173 PolarHBondContact O-OG1 3.1Å; Q170-T173 PolarHBondContact O-N 3.43Å; Q170-T173 VanDerWaalsContact O-N 3.15Å; V171-T173 PolarHBondContact O-N 3.48Å; T173-A176 PolarHBondContact O-N 3.29Å; T173-G178 VanDerWaalsContact O-CA 3.26Å; T173-G178 WeakPolarHBondContact O-CA 3.44Å; T173-G178 PolarHBondContact O-N 2.9Å; T173-D179 PolarHBondContact O-N 3.11Å; T173-K180 HydrophobicContact CG2-CG 3.81Å
174	I	92.6	Very high	92.6	Very high	58 Å²	58	43.9 Å²	43.9	30%	0.297	24%	0.236	S	C	.	.	H	α-helix	trans	-66.4	-47.9	-178.7	-65.1	-59	0	0	0	110.6	Q170 V171 A176 N177 G517 I518	Q170-I174 WeakPolarHBondContact O-CG1 3.12Å; Q170-I174 PolarHBondContact O-N 3.07Å; V171-I174 PolarHBondContact O-N 3.35Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 2.85Å; I174-N177 PolarHBondContact O-N 3.32Å; I174-N177 VanDerWaalsContact O-N 3.09Å; I174-G517 WeakPolarHBondContact CG1-O 3.37Å; I174-I518 HydrophobicContact CD1-CG1 4.39Å
175	S	91.4	Very high	92.9	Very high	24 Å²	24	43 Å²	43	17%	0.168	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-34.9	178.5	-175.1	0	0	0	0	111.8	D111 V171 N177 D423 A427	D111-S175 PolarHBondContact OD2-OG 3.3Å; V171-S175 WeakPolarHBondContact O-CB 3.2Å; V171-S175 PolarHBondContact O-N 3.45Å; S175-N177 PolarHBondContact O-N 3.03Å; S175-D423 PolarHBondContact OG-O 3.33Å; S175-A427 WeakPolarHBondContact OG-CB 3.33Å
176	A	92.7	Very high	93.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	17.2	172.4	0	0	0	0	0	114.7	A172 T173 I174 D179 I182 R420 A424	A172-A176 WeakPolarHBondContact O-CB 3.35Å; A172-A176 PolarHBondContact O-N 2.87Å; T173-A176 PolarHBondContact O-N 3.29Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 2.85Å; A176-D179 HydrophobicContact CB-CB 4.06Å; A176-D179 WeakPolarHBondContact O-CB 3.3Å; A176-I182 HydrophobicContact CB-CB 3.88Å; A176-I182 HydrophobicContact CB-CD1 4.07Å; A176-I182 HydrophobicContact CB-CG2 3.58Å; A176-R420 PolarHBondContact O-NH1 3.35Å; A176-A424 HydrophobicContact CB-CB 3.95Å
177	N	91.4	Very high	93.3	Very high	59 Å²	59	35.6 Å²	35.6	32%	0.316	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	40.7	179.8	-169.7	48.4	0	0	0	114.5	P57 K75 I174 S175	P57-N177 WeakPolarHBondContact CA-OD1 3.28Å; K75-N177 PolarHBondContact NZ-ND2 3.47Å; K75-N177 PolarHBondContact NZ-OD1 2.91Å; I174-N177 PolarHBondContact O-N 3.32Å; I174-N177 VanDerWaalsContact O-N 3.09Å; S175-N177 PolarHBondContact O-N 3.03Å
178	G	90.3	Very high	93.3	Very high	47 Å²	47	36.9 Å²	36.9	49%	0.485	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	7.9	178	0	0	0	0	0	114.6	T173 K180	T173-G178 VanDerWaalsContact O-CA 3.26Å; T173-G178 WeakPolarHBondContact O-CA 3.44Å; T173-G178 PolarHBondContact O-N 2.9Å; G178-K180 PolarHBondContact O-N 3.29Å
179	D	93	Very high	93.3	Very high	38 Å²	38	36.4 Å²	36.4	20%	0.203	20%	0.197	C	C	.	.			trans	-79.5	101.6	-180	-164.8	-31.2	0	0	0	111.2	T173 A176 E181 I182 G183 R420	T173-D179 PolarHBondContact O-N 3.11Å; A176-D179 HydrophobicContact CB-CB 4.06Å; A176-D179 WeakPolarHBondContact O-CB 3.3Å; D179-E181 VanDerWaalsContact C-N 3.29Å; D179-E181 PolarHBondContact O-N 3.44Å; D179-E181 WeakPolarHBondContact OD1-CB 3.45Å; D179-E181 PolarHBondContact OD1-N 3.48Å; D179-I182 HydrophobicContact CB-CB 4.21Å; D179-I182 HydrophobicContact CB-CD1 3.92Å; D179-I182 HydrophobicContact CB-CG1 4.17Å; D179-I182 PolarHBondContact OD1-N 3.42Å; D179-I182 WeakPolarHBondContact OD2-CD1 3.32Å; D179-G183 PolarHBondContact O-N 3.46Å; D179-G183 VanDerWaalsContact O-N 3.16Å; D179-R420 IonicContact OD2-NH1 2.67Å; D179-R420 PolarHBondContact OD2-NH1 3.28Å
180	K	93.8	Very high	92.9	Very high	151 Å²	151	36.2 Å²	36.2	66%	0.657	19%	0.194	S	C	*	.	H	α-helix	trans	-69.8	-27	-179.2	-66.9	-178.8	-179.1	-179.7	0	112.7	T173 G178 G183 N184	T173-K180 HydrophobicContact CG2-CG 3.81Å; G178-K180 PolarHBondContact O-N 3.29Å; K180-G183 PolarHBondContact O-N 3.27Å; K180-N184 WeakPolarHBondContact O-CB 3.5Å; K180-N184 PolarHBondContact O-N 3.43Å; K180-N184 PolarHBondContact O-ND2 3.06Å; K180-N184 VanDerWaalsContact O-ND2 3.09Å
181	E	93.6	Very high	92.7	Very high	101 Å²	101	38.6 Å²	38.6	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-68.4	-47.9	-180	-170	175.2	-179.4	0	0	109.5	D179 G183 N184 I185	D179-E181 VanDerWaalsContact C-N 3.29Å; D179-E181 PolarHBondContact O-N 3.44Å; D179-E181 WeakPolarHBondContact OD1-CB 3.45Å; D179-E181 PolarHBondContact OD1-N 3.48Å; E181-G183 VanDerWaalsContact C-N 3.32Å; E181-G183 PolarHBondContact O-N 3.4Å; E181-N184 PolarHBondContact O-N 3.08Å; E181-I185 HydrophobicContact CG-CD1 4.09Å; E181-I185 WeakPolarHBondContact O-CB 3.4Å; E181-I185 WeakPolarHBondContact O-CG1 3.33Å; E181-I185 PolarHBondContact O-N 3.33Å
182	I	94.6	Very high	92.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-47.1	172.7	-66	175.2	0	0	0	110.6	A176 D179 N184 I185 I186 K417 V421 A424	A176-I182 HydrophobicContact CB-CB 3.88Å; A176-I182 HydrophobicContact CB-CD1 4.07Å; A176-I182 HydrophobicContact CB-CG2 3.58Å; D179-I182 HydrophobicContact CB-CB 4.21Å; D179-I182 HydrophobicContact CB-CD1 3.92Å; D179-I182 HydrophobicContact CB-CG1 4.17Å; D179-I182 PolarHBondContact OD1-N 3.42Å; D179-I182 WeakPolarHBondContact OD2-CD1 3.32Å; I182-N184 PolarHBondContact O-N 3Å; I182-I185 PolarHBondContact O-N 3.49Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.36Å; I182-I186 WeakPolarHBondContact O-CG1 3.3Å; I182-I186 PolarHBondContact O-N 3.19Å; I182-K417 HydrophobicContact CD1-CG 4.2Å; I182-V421 HydrophobicContact CD1-CG2 3.68Å; I182-V421 HydrophobicContact CG1-CG2 3.87Å; I182-V421 HydrophobicContact CG2-CB 4.49Å; I182-V421 HydrophobicContact CG2-CG2 3.89Å; I182-A424 HydrophobicContact CG2-CB 4.26Å
183	G	94.9	Very high	91.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-42.3	-179.3	0	0	0	0	0	114.1	D179 K180 E181 S187	D179-G183 PolarHBondContact O-N 3.46Å; D179-G183 VanDerWaalsContact O-N 3.16Å; K180-G183 PolarHBondContact O-N 3.27Å; E181-G183 VanDerWaalsContact C-N 3.32Å; E181-G183 PolarHBondContact O-N 3.4Å; G183-S187 WeakPolarHBondContact O-CB 3.3Å; G183-S187 PolarHBondContact O-N 3.17Å
184	N	94.8	Very high	90.9	Very high	90 Å²	90	45.6 Å²	45.6	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-44.4	177.1	-70.7	-27.7	0	0	0	111.7	K180 E181 I182 I186 S187 D188	K180-N184 WeakPolarHBondContact O-CB 3.5Å; K180-N184 PolarHBondContact O-N 3.43Å; K180-N184 PolarHBondContact O-ND2 3.06Å; K180-N184 VanDerWaalsContact O-ND2 3.09Å; E181-N184 PolarHBondContact O-N 3.08Å; I182-N184 PolarHBondContact O-N 3Å; N184-I186 VanDerWaalsContact C-N 3.34Å; N184-I186 PolarHBondContact O-N 3.37Å; N184-S187 PolarHBondContact O-N 3.28Å; N184-D188 WeakPolarHBondContact O-CB 3.44Å; N184-D188 PolarHBondContact O-N 2.87Å
185	I	94.6	Very high	90.1	Very high	30 Å²	30	48 Å²	48	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-41.8	179.6	-74	175.8	0	0	0	111.1	E181 I182 D188 A189 D209 L211 L404	E181-I185 HydrophobicContact CG-CD1 4.09Å; E181-I185 WeakPolarHBondContact O-CB 3.4Å; E181-I185 WeakPolarHBondContact O-CG1 3.33Å; E181-I185 PolarHBondContact O-N 3.33Å; I182-I185 PolarHBondContact O-N 3.49Å; I185-D188 PolarHBondContact O-N 3.32Å; I185-A189 WeakPolarHBondContact O-CB 3.35Å; I185-A189 PolarHBondContact O-N 3.33Å; I185-D209 HydrophobicContact CD1-CB 3.54Å; I185-L211 HydrophobicContact CG2-CB 4.4Å; I185-L404 HydrophobicContact CG2-CD1 4.45Å; I185-L404 HydrophobicContact CG2-CD2 3.24Å; I185-L404 HydrophobicContact CG2-CG 4.43Å
186	I	93.7	Very high	89	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-44.8	175.7	-69.3	172.3	0	0	0	110.8	A172 I182 N184 D188 A189 M190 L404 A424 L425 T428	A172-I186 HydrophobicContact CB-CB 4.13Å; A172-I186 HydrophobicContact CB-CD1 4.16Å; A172-I186 HydrophobicContact CB-CG2 4.14Å; I182-I186 HydrophobicContact CG2-CD1 3.65Å; I182-I186 HydrophobicContact CG2-CG1 4.36Å; I182-I186 WeakPolarHBondContact O-CG1 3.3Å; I182-I186 PolarHBondContact O-N 3.19Å; N184-I186 VanDerWaalsContact C-N 3.34Å; N184-I186 PolarHBondContact O-N 3.37Å; I186-D188 VanDerWaalsContact C-N 3.32Å; I186-D188 PolarHBondContact O-N 3.23Å; I186-A189 WeakPolarHBondContact O-CB 3.33Å; I186-A189 PolarHBondContact O-N 3.09Å; I186-M190 HydrophobicContact CG2-CG 4.45Å; I186-M190 HydrophobicContact CG2-SD 4.29Å; I186-M190 WeakPolarHBondContact O-CG 3.5Å; I186-M190 PolarHBondContact O-N 3.4Å; I186-L404 HydrophobicContact CG1-CD1 3.99Å; I186-A424 HydrophobicContact CD1-CB 3.54Å; I186-L425 HydrophobicContact CG2-CD1 4.49Å; I186-T428 HydrophobicContact CG2-CG2 4.07Å
187	S	93.6	Very high	88	Confident	3 Å²	3	57 Å²	57	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-43.7	176.5	-175.6	0	0	0	0	111.5	P165 G183 N184 M190 K191	P165-S187 PolarHBondContact O-OG 3.13Å; G183-S187 WeakPolarHBondContact O-CB 3.3Å; G183-S187 PolarHBondContact O-N 3.17Å; N184-S187 PolarHBondContact O-N 3.28Å; S187-M190 PolarHBondContact O-N 3.45Å; S187-K191 VanDerWaalsContact O-CG 3.26Å; S187-K191 WeakPolarHBondContact O-CG 3.41Å; S187-K191 PolarHBondContact O-N 3.04Å; S187-K191 WeakPolarHBondContact OG-CE 3.39Å
188	D	91.9	Very high	87.1	Confident	66 Å²	66	55.1 Å²	55.1	35%	0.353	28%	0.277	S	S	.	.	H	α-helix	trans	-67.6	-39.4	178	-74.3	-10.8	0	0	0	112.3	N184 I185 I186 K191 K192 L211	N184-D188 WeakPolarHBondContact O-CB 3.44Å; N184-D188 PolarHBondContact O-N 2.87Å; I185-D188 PolarHBondContact O-N 3.32Å; I186-D188 VanDerWaalsContact C-N 3.32Å; I186-D188 PolarHBondContact O-N 3.23Å; D188-K191 PolarHBondContact O-N 2.96Å; D188-K191 IonicContact OD1-NZ 3.03Å; D188-K191 PolarHBondContact OD1-NZ 2.91Å; D188-K192 WeakPolarHBondContact O-CD 3.05Å; D188-K192 WeakPolarHBondContact O-CG 3.36Å; D188-K192 PolarHBondContact O-N 3.12Å; D188-K192 VanDerWaalsContact O-N 3.17Å; D188-L211 HydrophobicContact CB-CD2 4.15Å
189	A	89.9	Confident	86.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.5	-53.2	171.4	0	0	0	0	0	110.6	I185 I186 K191 K192 V193 I199 L211 A402 L404	I185-A189 WeakPolarHBondContact O-CB 3.35Å; I185-A189 PolarHBondContact O-N 3.33Å; I186-A189 WeakPolarHBondContact O-CB 3.33Å; I186-A189 PolarHBondContact O-N 3.09Å; A189-K191 VanDerWaalsContact C-N 3.32Å; A189-K191 PolarHBondContact O-N 3.46Å; A189-K192 PolarHBondContact O-N 3.2Å; A189-V193 VanDerWaalsContact O-CG2 3.27Å; A189-V193 WeakPolarHBondContact O-CG2 3.49Å; A189-V193 PolarHBondContact O-N 3Å; A189-I199 HydrophobicContact CB-CD1 3.92Å; A189-I199 HydrophobicContact CB-CG1 4.4Å; A189-I199 HydrophobicContact CB-CG2 4.43Å; A189-L211 HydrophobicContact CB-CD1 3.79Å; A189-L211 HydrophobicContact CB-CD2 4.23Å; A189-A402 HydrophobicContact CB-CB 3.91Å; A189-L404 HydrophobicContact CB-CD2 4.39Å
190	M	87.4	Confident	85.9	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.034	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-32.6	-179.8	-70.6	-171.8	93.3	0	0	113.5	I168 I186 S187 K192 G194 R195 I199 V432	I168-M190 HydrophobicContact CG2-SD 3.53Å; I168-M190 VanDerWaalsContact CG2-SD 3.53Å; I186-M190 HydrophobicContact CG2-CG 4.45Å; I186-M190 HydrophobicContact CG2-SD 4.29Å; I186-M190 WeakPolarHBondContact O-CG 3.5Å; I186-M190 PolarHBondContact O-N 3.4Å; S187-M190 PolarHBondContact O-N 3.45Å; M190-K192 VanDerWaalsContact C-N 3.32Å; M190-G194 CarbonylContact O-C 3.53Å; M190-G194 WeakPolarHBondContact O-CA 3.28Å; M190-G194 PolarHBondContact O-N 3.24Å; M190-R195 WeakPolarHBondContact CE-O 3.49Å; M190-I199 HydrophobicContact CB-CD1 4.42Å; M190-I199 HydrophobicContact CG-CD1 3.44Å; M190-I199 VanDerWaalsContact CG-CD1 3.44Å; M190-V432 HydrophobicContact CE-CG2 3.95Å
191	K	87.9	Confident	85.4	Confident	111 Å²	111	47.7 Å²	47.7	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-64.6	-38	173.2	-75.1	168.9	-164.2	159.5	0	111.9	P165 S187 D188 A189	P165-K191 HydrophobicContact CB-CD 4.32Å; P165-K191 HydrophobicContact CB-CG 4.3Å; S187-K191 VanDerWaalsContact O-CG 3.26Å; S187-K191 WeakPolarHBondContact O-CG 3.41Å; S187-K191 PolarHBondContact O-N 3.04Å; S187-K191 WeakPolarHBondContact OG-CE 3.39Å; D188-K191 PolarHBondContact O-N 2.96Å; D188-K191 IonicContact OD1-NZ 3.03Å; D188-K191 PolarHBondContact OD1-NZ 2.91Å; A189-K191 VanDerWaalsContact C-N 3.32Å; A189-K191 PolarHBondContact O-N 3.46Å
192	K	85.1	Confident	84.6	Confident	125 Å²	125	48 Å²	48	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-82.1	-44.4	-174.7	-78.2	148.8	143.9	-174	0	112.9	D188 A189 M190 L211 I213	D188-K192 WeakPolarHBondContact O-CD 3.05Å; D188-K192 WeakPolarHBondContact O-CG 3.36Å; D188-K192 PolarHBondContact O-N 3.12Å; D188-K192 VanDerWaalsContact O-N 3.17Å; A189-K192 PolarHBondContact O-N 3.2Å; M190-K192 VanDerWaalsContact C-N 3.32Å; K192-L211 HydrophobicContact CD-CD2 4.36Å; K192-I213 HydrophobicContact CB-CD1 3.91Å; K192-I213 HydrophobicContact CD-CD1 3.29Å; K192-I213 HydrophobicContact CD-CG1 4.31Å; K192-I213 HydrophobicContact CG-CD1 3.79Å
193	V	81.8	Confident	83.9	Confident	13 Å²	13	52.1 Å²	52.1	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-91	-5.5	178.7	-58.9	0	0	0	0	113.7	A189 G197 I199 A402	A189-V193 VanDerWaalsContact O-CG2 3.27Å; A189-V193 WeakPolarHBondContact O-CG2 3.49Å; A189-V193 PolarHBondContact O-N 3Å; V193-G197 VanDerWaalsContact O-CA 3.26Å; V193-G197 WeakPolarHBondContact O-CA 3.28Å; V193-I199 HydrophobicContact CG2-CD1 4.19Å; V193-I199 HydrophobicContact CG2-CG1 3.75Å; V193-A402 HydrophobicContact CG1-CB 3.74Å; V193-A402 HydrophobicContact CG2-CB 4.32Å
194	G	79.5	Confident	83.1	Confident	32 Å²	32	52.8 Å²	52.8	33%	0.33	27%	0.265	S	S	.	.			trans	82.2	164	-173.4	0	0	0	0	0	113	M190 K196 G197	M190-G194 CarbonylContact O-C 3.53Å; M190-G194 WeakPolarHBondContact O-CA 3.28Å; M190-G194 PolarHBondContact O-N 3.24Å; G194-K196 PolarHBondContact O-N 3.14Å; G194-G197 PolarHBondContact O-N 3.17Å
195	R	77.1	Confident	82.4	Confident	108 Å²	108	58.8 Å²	58.8	41%	0.408	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.5	-173.7	-63	-173.7	-178.6	-167.5	-3.5	114.4	V162 T163 M190 V432	V162-R195 PolarHBondContact O-NH1 3.02Å; T163-R195 PolarHBondContact O-NH2 2.97Å; M190-R195 WeakPolarHBondContact CE-O 3.49Å; R195-V432 HydrophobicContact CB-CG1 3.94Å
196	K	68.4	Low	82.1	Confident	203 Å²	203	60 Å²	60	88%	0.883	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	8	175.6	-63.1	-171.9	176.4	-171.9	0	112.5	G194	G194-K196 PolarHBondContact O-N 3.14Å
197	G	70.5	Confident	81.9	Confident	11 Å²	11	65.6 Å²	65.6	11%	0.113	33%	0.325	C	S	.	.	S	Bend	trans	-67.1	155	177.4	0	0	0	0	0	111.5	V193 G194 I199	V193-G197 VanDerWaalsContact O-CA 3.26Å; V193-G197 WeakPolarHBondContact O-CA 3.28Å; G194-G197 PolarHBondContact O-N 3.17Å; G197-I199 PolarHBondContact O-N 3.28Å
198	V	72.8	Confident	81.8	Confident	18 Å²	18	70.8 Å²	70.8	11%	0.109	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.3	179.3	-174.9	0	0	0	0	109.8	T200 A395 A402	V198-T200 HydrophobicContact CG1-CG2 4.09Å; V198-A395 HydrophobicContact CB-CB 3.49Å; V198-A395 VanDerWaalsContact CB-CB 3.49Å; V198-A395 HydrophobicContact CG1-CB 3.48Å; V198-A395 VanDerWaalsContact CG1-CB 3.48Å; V198-A395 HydrophobicContact CG2-CB 3.75Å; V198-A402 PolarHBondContact O-N 2.65Å
199	I	81.5	Confident	81.8	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.036	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.2	174.9	-52.9	173.8	0	0	0	106.3	A189 M190 V193 G197 A402 L404 L425 R429	A189-I199 HydrophobicContact CB-CD1 3.92Å; A189-I199 HydrophobicContact CB-CG1 4.4Å; A189-I199 HydrophobicContact CB-CG2 4.43Å; M190-I199 HydrophobicContact CB-CD1 4.42Å; M190-I199 HydrophobicContact CG-CD1 3.44Å; M190-I199 VanDerWaalsContact CG-CD1 3.44Å; V193-I199 HydrophobicContact CG2-CD1 4.19Å; V193-I199 HydrophobicContact CG2-CG1 3.75Å; G197-I199 PolarHBondContact O-N 3.28Å; I199-A402 CarbonylContact C-O 3.54Å; I199-A402 WeakPolarHBondContact CA-O 3.37Å; I199-A402 HydrophobicContact CB-CB 4.45Å; I199-A402 HydrophobicContact CG1-CB 4.12Å; I199-A402 HydrophobicContact CG2-CB 4.2Å; I199-L404 HydrophobicContact CG2-CD1 3.74Å; I199-L404 HydrophobicContact CG2-CG 3.89Å; I199-L425 HydrophobicContact CB-CD1 3.75Å; I199-L425 HydrophobicContact CB-CD2 4.01Å; I199-L425 HydrophobicContact CD1-CD1 3.66Å; I199-L425 HydrophobicContact CG1-CD1 4.23Å; I199-L425 HydrophobicContact CG2-CD1 3.9Å; I199-L425 HydrophobicContact CG2-CD2 4.03Å; I199-R429 PolarHBondContact O-NH2 3.2Å; I199-R429 VanDerWaalsContact O-NH2 3.11Å
200	T	77.8	Confident	81.8	Confident	45 Å²	45	72.5 Å²	72.5	28%	0.276	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.9	179.7	59.4	0	0	0	0	109.7	V198 V401 A402 V403 L404	V198-T200 HydrophobicContact CG1-CG2 4.09Å; T200-V401 HydrophobicContact CG2-CG1 4.44Å; T200-A402 PolarHBondContact N-O 3.48Å; T200-A402 PolarHBondContact OG1-O 2.8Å; T200-V403 CarbonylContact O-C 3.6Å; T200-V403 WeakPolarHBondContact O-CA 3.38Å; T200-L404 PolarHBondContact O-N 3.11Å
201	V	81.4	Confident	81.8	Confident	28 Å²	28	74.4 Å²	74.4	17%	0.17	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.9	179.3	-169.2	0	0	0	0	108.5	L404 V406 K418 V421 L425	V201-L404 CarbonylContact C-O 3.6Å; V201-L404 WeakPolarHBondContact CA-O 3.34Å; V201-L404 HydrophobicContact CG2-CB 4.48Å; V201-V406 HydrophobicContact CG1-CG2 3.49Å; V201-V406 VanDerWaalsContact CG1-CG2 3.49Å; V201-K418 HydrophobicContact CG1-CG 3.91Å; V201-V421 HydrophobicContact CG1-CB 4.27Å; V201-V421 HydrophobicContact CG1-CG1 3.87Å; V201-V421 HydrophobicContact CG2-CG1 3.81Å; V201-L425 HydrophobicContact CG2-CD2 4.21Å
202	K	77.9	Confident	81.6	Confident	107 Å²	107	71.8 Å²	71.8	47%	0.465	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160.8	179.5	-68.8	-168.3	-180	-175.7	0	110.6	G204 V403 L404 K405 V406	K202-G204 PolarHBondContact O-N 3.34Å; K202-V403 HydrophobicContact CB-CG1 4.24Å; K202-V403 HydrophobicContact CD-CG1 3.86Å; K202-V403 HydrophobicContact CG-CG1 3.98Å; K202-L404 PolarHBondContact N-O 3.44Å; K202-K405 WeakPolarHBondContact O-CA 3.39Å; K202-V406 PolarHBondContact O-N 2.81Å
203	D	78.9	Confident	81.4	Confident	90 Å²	90	68.5 Å²	68.5	48%	0.481	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.7	176.4	-50.3	-11.7	0	0	0	108.5	V414 K418	D203-V414 HydrophobicContact CB-CG1 4.24Å; D203-K418 WeakPolarHBondContact OD1-CD 3.43Å; D203-K418 WeakPolarHBondContact OD1-CE 3.31Å; D203-K418 IonicContact OD1-NZ 3.78Å; D203-K418 PolarHBondContact OD1-NZ 3.04Å; D203-K418 IonicContact OD2-NZ 2.64Å
204	G	79.8	Confident	80.9	Confident	15 Å²	15	68.6 Å²	68.6	16%	0.155	35%	0.347	C	S	.	.			trans	-78.7	155.9	174.1	0	0	0	0	0	111.5	K202 V406	K202-G204 PolarHBondContact O-N 3.34Å; G204-V406 VanDerWaalsContact CA-O 3.24Å; G204-V406 WeakPolarHBondContact CA-O 3.42Å; G204-V406 PolarHBondContact N-O 3.39Å
205	K	78.3	Confident	80.5	Confident	216 Å²	216	73.2 Å²	73.2	94%	0.939	36%	0.36	S	S	*	.	S	Bend	trans	-100.4	-7.5	171.1	-65.1	-174.9	-179.5	179.5	0	112.5
206	T	88.9	Confident	80.4	Confident	56 Å²	56	69.4 Å²	69.4	34%	0.344	35%	0.354	S	S	.	.	S	Bend	trans	-100.8	166.5	-178.3	53.2	0	0	0	0	110	N208 E210 G407 G408	T206-N208 VanDerWaalsContact C-N 3.3Å; T206-N208 PolarHBondContact OG1-O 2.84Å; T206-E210 WeakPolarHBondContact CB-OE1 2.95Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.46Å; T206-E210 PolarHBondContact OG1-OE1 3.16Å; T206-G407 WeakPolarHBondContact O-CA 3.38Å; T206-G408 PolarHBondContact O-N 2.82Å
207	L	89.3	Confident	81.2	Confident	116 Å²	116	60.6 Å²	60.6	61%	0.607	32%	0.316	S	S	*	.	S	Bend	trans	-73.3	-26	178.9	-66	175.6	0	0	0	112.6	G408 T409	L207-G408 PolarHBondContact O-N 3.32Å; L207-T409 HydrophobicContact CD2-CG2 3.86Å
208	N	91.5	Very high	81.8	Confident	112 Å²	112	61.9 Å²	61.9	60%	0.599	32%	0.319	S	S	*	.	S	Bend	trans	-108	159.8	-174.5	-59.7	-31	0	0	0	110.6	T206	T206-N208 VanDerWaalsContact C-N 3.3Å; T206-N208 PolarHBondContact OG1-O 2.84Å
209	D	92.4	Very high	82.6	Confident	23 Å²	23	61.3 Å²	61.3	12%	0.123	32%	0.315	C	S	.	.			trans	-75.7	139.9	175.9	-58.3	-27.6	0	0	0	110.8	I185 K405 G407 K417	I185-D209 HydrophobicContact CD1-CB 3.54Å; D209-K405 WeakPolarHBondContact CA-O 3.29Å; D209-G407 PolarHBondContact OD1-N 2.79Å; D209-K417 WeakPolarHBondContact OD1-CE 3.34Å; D209-K417 IonicContact OD1-NZ 3.68Å; D209-K417 PolarHBondContact OD1-NZ 3.09Å; D209-K417 WeakPolarHBondContact OD2-CE 3.46Å; D209-K417 IonicContact OD2-NZ 3.64Å; D209-K417 PolarHBondContact OD2-NZ 2.71Å
210	E	89.2	Confident	82.8	Confident	80 Å²	80	65.8 Å²	65.8	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.5	179.6	-64.8	172.4	-172.9	0	0	110.8	T206 K405	T206-E210 WeakPolarHBondContact CB-OE1 2.95Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.46Å; T206-E210 PolarHBondContact OG1-OE1 3.16Å; E210-K405 HydrophobicContact CB-CB 4.24Å; E210-K405 PolarHBondContact N-O 2.69Å; E210-K405 PolarHBondContact O-N 2.71Å
211	L	88.3	Confident	83.5	Confident	46 Å²	46	69.1 Å²	69.1	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107	169.8	171.2	59.6	0	0	0	109.3	I185 D188 A189 K192 I213 A402 L404	I185-L211 HydrophobicContact CG2-CB 4.4Å; D188-L211 HydrophobicContact CB-CD2 4.15Å; A189-L211 HydrophobicContact CB-CD1 3.79Å; A189-L211 HydrophobicContact CB-CD2 4.23Å; K192-L211 HydrophobicContact CD-CD2 4.36Å; L211-I213 HydrophobicContact CD1-CG1 4.43Å; L211-I213 HydrophobicContact CG-CG1 4.33Å; L211-A402 HydrophobicContact CD1-CB 3.83Å; L211-L404 HydrophobicContact CB-CD2 4.17Å; L211-L404 HydrophobicContact CD1-CD2 3.61Å; L211-L404 HydrophobicContact CG-CD2 4.42Å
212	E	82.9	Confident	84	Confident	57 Å²	57	68.3 Å²	68.3	27%	0.266	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.4	170.4	-173.8	179.8	165.1	0	0	108.9	I214 K218 V403 K405	E212-I214 HydrophobicContact CG-CG1 4.25Å; E212-K218 IonicContact OE1-NZ 2.83Å; E212-K218 PolarHBondContact OE1-NZ 3.3Å; E212-V403 HydrophobicContact CB-CB 4.4Å; E212-V403 PolarHBondContact N-O 2.84Å; E212-V403 PolarHBondContact O-N 3.36Å; E212-K405 WeakPolarHBondContact OE2-CE 3.25Å; E212-K405 IonicContact OE2-NZ 2.96Å; E212-K405 PolarHBondContact OE2-NZ 3.22Å
213	I	80.8	Confident	84.9	Confident	55 Å²	55	64.3 Å²	64.3	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.2	173.4	-53.5	161.6	0	0	0	106.8	K192 L211 E215	K192-I213 HydrophobicContact CB-CD1 3.91Å; K192-I213 HydrophobicContact CD-CD1 3.29Å; K192-I213 HydrophobicContact CD-CG1 4.31Å; K192-I213 HydrophobicContact CG-CD1 3.79Å; L211-I213 HydrophobicContact CD1-CG1 4.43Å; L211-I213 HydrophobicContact CG-CG1 4.33Å; I213-E215 HydrophobicContact CG2-CG 4.16Å
214	I	72.4	Confident	85.6	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.077	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	103.1	174.6	-61	170	0	0	0	106	E212 K218 M356 G400 V401 V403	E212-I214 HydrophobicContact CG-CG1 4.25Å; I214-K218 HydrophobicContact CD1-CB 4.44Å; I214-K218 HydrophobicContact CD1-CD 3.65Å; I214-K218 HydrophobicContact CG1-CD 4.22Å; I214-K218 HydrophobicContact CG2-CB 3.5Å; I214-K218 VanDerWaalsContact CG2-CB 3.5Å; I214-K218 HydrophobicContact CG2-CD 4.29Å; I214-K218 HydrophobicContact CG2-CG 4.48Å; I214-M356 HydrophobicContact CG2-CE 4.16Å; I214-G400 WeakPolarHBondContact O-CA 3.47Å; I214-V401 HydrophobicContact CB-CB 4.45Å; I214-V401 PolarHBondContact N-O 2.74Å; I214-V401 PolarHBondContact O-N 3.41Å; I214-V403 HydrophobicContact CD1-CG2 3.61Å; I214-V403 HydrophobicContact CG1-CG2 4.44Å
215	E	69.9	Low	86.3	Confident	129 Å²	129	62.1 Å²	62.1	60%	0.603	31%	0.312	S	S	*	.			trans	-82.7	131	167.1	-66.2	-177.6	-174.4	0	0	108.5	I213 L358	I213-E215 HydrophobicContact CG2-CG 4.16Å; E215-L358 HydrophobicContact CB-CD2 4.14Å; E215-L358 WeakPolarHBondContact O-CD2 3.23Å
216	G	75.6	Confident	87	Confident	29 Å²	29	55.6 Å²	55.6	30%	0.299	29%	0.292	S	S	.	.	S	Bend	trans	84.9	-165.5	-178.2	0	0	0	0	0	114.7	L357	G216-L357 CarbonylContact C-O 3.45Å; G216-L357 WeakPolarHBondContact CA-O 3.48Å
217	M	84.8	Confident	87.2	Confident	17 Å²	17	59.5 Å²	59.5	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.7	-173.8	-61.2	-173.4	87	0	0	110.5	D315 M316 A319 M356 L357 K396 L397	M217-D315 HydrophobicContact CE-CB 4.46Å; M217-M316 HydrophobicContact CE-CB 4.38Å; M217-M316 HydrophobicContact CE-CG 3.6Å; M217-M316 HydrophobicContact SD-CB 4.43Å; M217-M316 HydrophobicContact SD-CG 4.02Å; M217-A319 HydrophobicContact CE-CB 4.45Å; M217-A319 HydrophobicContact SD-CB 3.49Å; M217-A319 WeakPolarHBondContact SD-CB 3.4Å; M217-M356 WeakPolarHBondContact O-CA 3.39Å; M217-L357 HydrophobicContact CB-CB 4.37Å; M217-L357 PolarHBondContact N-O 3.27Å; M217-L357 PolarHBondContact O-N 3.24Å; M217-K396 HydrophobicContact CE-CB 4.23Å; M217-K396 WeakPolarHBondContact CG-O 3.42Å; M217-L397 HydrophobicContact CE-CD2 4.18Å
218	K	83.8	Confident	87.5	Confident	39 Å²	39	54 Å²	54	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.2	170	-169.6	-174	-176.9	-178.3	0	111.3	E212 I214 D354 A355 M356 K396	E212-K218 IonicContact OE1-NZ 2.83Å; E212-K218 PolarHBondContact OE1-NZ 3.3Å; I214-K218 HydrophobicContact CD1-CB 4.44Å; I214-K218 HydrophobicContact CD1-CD 3.65Å; I214-K218 HydrophobicContact CG1-CD 4.22Å; I214-K218 HydrophobicContact CG2-CB 3.5Å; I214-K218 VanDerWaalsContact CG2-CB 3.5Å; I214-K218 HydrophobicContact CG2-CD 4.29Å; I214-K218 HydrophobicContact CG2-CG 4.48Å; K218-D354 VanDerWaalsContact CE-CG 3.45Å; K218-D354 WeakPolarHBondContact CE-OD2 3.47Å; K218-D354 IonicContact NZ-OD2 3.28Å; K218-D354 PolarHBondContact NZ-OD2 3.09Å; K218-A355 WeakPolarHBondContact CA-O 3.21Å; K218-M356 HydrophobicContact CB-CE 4.29Å; K218-M356 HydrophobicContact CD-CE 3.98Å; K218-M356 HydrophobicContact CG-CE 4.16Å; K218-K396 VanDerWaalsContact O-CE 3.22Å; K218-K396 WeakPolarHBondContact O-CE 3.38Å
219	F	88.3	Confident	87.6	Confident	5 Å²	5	50.8 Å²	50.8	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150	172.3	60.3	-82.8	0	0	0	112.1	R221 I274 V300 P303 M316 D354 A355 L357	F219-R221 HydrophobicContact CD2-CB 3.78Å; F219-R221 HydrophobicContact CD2-CG 4.18Å; F219-R221 HydrophobicContact CE2-CB 3.85Å; F219-R221 PolarHBondContact O-N 2.69Å; F219-I274 HydrophobicContact CE1-CD1 4.36Å; F219-I274 HydrophobicContact CZ-CD1 3.88Å; F219-V300 HydrophobicContact CE2-CG1 3.63Å; F219-V300 HydrophobicContact CZ-CG1 4.05Å; F219-P303 HydrophobicContact CB-CB 3.78Å; F219-P303 HydrophobicContact CB-CG 4.11Å; F219-P303 HydrophobicContact CD2-CB 3.77Å; F219-P303 HydrophobicContact CD2-CG 3.89Å; F219-P303 HydrophobicContact CE2-CG 4.48Å; F219-P303 HydrophobicContact CG-CB 4.03Å; F219-P303 HydrophobicContact CG-CG 4.01Å; F219-M316 HydrophobicContact CD1-CE 3.91Å; F219-M316 HydrophobicContact CE1-CE 3.38Å; F219-M316 HydrophobicContact CZ-CE 3.89Å; F219-D354 WeakPolarHBondContact O-CA 3.27Å; F219-A355 HydrophobicContact CD1-CB 4.37Å; F219-A355 HydrophobicContact CD2-CB 4.36Å; F219-A355 HydrophobicContact CE1-CB 3.73Å; F219-A355 HydrophobicContact CE2-CB 3.78Å; F219-A355 HydrophobicContact CZ-CB 3.42Å; F219-A355 VanDerWaalsContact CZ-CB 3.42Å; F219-A355 PolarHBondContact N-O 3.33Å; F219-A355 PolarHBondContact O-N 3.4Å; F219-L357 HydrophobicContact CE1-CG 4.35Å
220	D	86.3	Confident	87.5	Confident	102 Å²	102	52.7 Å²	52.7	55%	0.545	26%	0.264	S	S	.	.	S	Bend	trans	-84.4	54.1	-168.4	-50.9	-18.9	0	0	0	111.4	D353	D220-D353 CarbonylContact C-O 3.56Å
221	R	92.6	Very high	87.2	Confident	114 Å²	114	50.2 Å²	50.2	43%	0.43	26%	0.255	S	S	.	.			trans	-135.8	121.8	170	-63.8	-66.8	-168.2	-158.2	-2.1	109.6	F219 V300 K301 D353 D354 A355	F219-R221 HydrophobicContact CD2-CB 3.78Å; F219-R221 HydrophobicContact CD2-CG 4.18Å; F219-R221 HydrophobicContact CE2-CB 3.85Å; F219-R221 PolarHBondContact O-N 2.69Å; R221-V300 HydrophobicContact CB-CG1 3.75Å; R221-V300 WeakPolarHBondContact O-CG1 3.43Å; R221-K301 WeakPolarHBondContact CB-O 3.24Å; R221-K301 HydrophobicContact CG-CB 4.48Å; R221-K301 WeakPolarHBondContact CG-O 3.1Å; R221-D353 CarbonylContact C-O 3.48Å; R221-D353 VanDerWaalsContact C-O 3.27Å; R221-D353 WeakPolarHBondContact CA-O 3.13Å; R221-D353 PolarHBondContact N-O 3.37Å; R221-D354 CarbonylContact O-C 3.47Å; R221-A355 WeakPolarHBondContact O-CB 3.34Å; R221-A355 PolarHBondContact O-N 3.38Å; R221-A355 VanDerWaalsContact O-N 3.13Å
222	G	92.6	Very high	86.5	Confident	12 Å²	12	54.2 Å²	54.2	12%	0.124	29%	0.287	C	S	.	.			trans	-95.4	-171.7	175.3	0	0	0	0	0	114.9	V300 T351 K352 D353	G222-V300 WeakPolarHBondContact O-CG1 3.2Å; G222-T351 CarbonylContact C-O 3.6Å; G222-T351 WeakPolarHBondContact CA-O 3.44Å; G222-K352 WeakPolarHBondContact CA-O 3.47Å; G222-D353 PolarHBondContact N-O 2.84Å
223	Y	95.7	Very high	85.5	Confident	22 Å²	22	59.8 Å²	59.8	9%	0.086	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-61.5	138.7	179.4	50.9	-108.9	0	0	0	111.6	S225 P226 I229 V350 T351 K352	Y223-S225 VanDerWaalsContact C-N 3.28Å; Y223-S225 VanDerWaalsContact CD2-O 3.27Å; Y223-S225 WeakPolarHBondContact CD2-O 3.33Å; Y223-S225 PolarHBondContact O-N 3.21Å; Y223-P226 HydrophobicContact CE2-CB 4.06Å; Y223-I229 HydrophobicContact CE1-CD1 4.33Å; Y223-I229 HydrophobicContact CE1-CG1 3.93Å; Y223-V350 HydrophobicContact CD1-CG1 4.13Å; Y223-V350 HydrophobicContact CG-CG1 4.5Å; Y223-T351 VanDerWaalsContact CD1-C 3.46Å; Y223-T351 WeakPolarHBondContact CD1-O 3.3Å; Y223-T351 WeakPolarHBondContact CE1-O 3.34Å; Y223-T351 PolarHBondContact N-O 2.88Å; Y223-K352 HydrophobicContact CE2-CB 4.46Å
224	I	95.4	Very high	84.7	Confident	46 Å²	46	59.7 Å²	59.7	24%	0.236	32%	0.323	C	S	.	.	S	Bend	trans	-69.1	-30.7	178.2	-64.7	169.7	0	0	0	111.1	V278 L283 A299 K301	I224-V278 HydrophobicContact CD1-CB 3.74Å; I224-V278 HydrophobicContact CD1-CG2 4.06Å; I224-L283 HydrophobicContact CB-CD1 4.46Å; I224-L283 HydrophobicContact CG2-CD1 4.03Å; I224-L283 HydrophobicContact CG2-CD2 3.82Å; I224-A299 HydrophobicContact CD1-CB 4.11Å; I224-A299 PolarHBondContact N-O 2.91Å; I224-K301 HydrophobicContact CD1-CG 3.96Å; I224-K301 HydrophobicContact CG1-CG 3.96Å
225	S	93.9	Very high	85.3	Confident	14 Å²	14	65.7 Å²	65.7	10%	0.098	35%	0.351	C	S	.	.			trans	-131.8	134.2	-179.5	-173.8	0	0	0	0	111.7	Y223 Y227 F228	Y223-S225 VanDerWaalsContact C-N 3.28Å; Y223-S225 VanDerWaalsContact CD2-O 3.27Å; Y223-S225 WeakPolarHBondContact CD2-O 3.33Å; Y223-S225 PolarHBondContact O-N 3.21Å; S225-Y227 PolarHBondContact O-N 3.15Å; S225-Y227 VanDerWaalsContact O-N 3.16Å; S225-Y227 WeakPolarHBondContact OG-CD2 3.26Å; S225-F228 VanDerWaalsContact O-CD2 3.27Å; S225-F228 WeakPolarHBondContact O-CD2 3.33Å; S225-F228 PolarHBondContact O-N 3.41Å
226	P	92.2	Very high	85.9	Confident	79 Å²	79	62.6 Å²	62.6	51%	0.513	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-65.6	-15.4	177.7	28.6	-35.8	0	0	0	113.1	Y223 F228 I229	Y223-P226 HydrophobicContact CE2-CB 4.06Å; P226-F228 PolarHBondContact O-N 3.33Å; P226-I229 HydrophobicContact CB-CD1 4.24Å; P226-I229 WeakPolarHBondContact O-CB 3.38Å; P226-I229 VanDerWaalsContact O-CD1 3.31Å; P226-I229 WeakPolarHBondContact O-CD1 3.31Å; P226-I229 WeakPolarHBondContact O-CG1 3.4Å; P226-I229 PolarHBondContact O-N 2.89Å
227	Y	93.8	Very high	86.7	Confident	137 Å²	137	61.2 Å²	61.2	54%	0.537	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-68.6	-9.8	177	-65.6	-63	0	0	0	113.8	S225 I229 V287 L291	S225-Y227 PolarHBondContact O-N 3.15Å; S225-Y227 VanDerWaalsContact O-N 3.16Å; S225-Y227 WeakPolarHBondContact OG-CD2 3.26Å; Y227-I229 VanDerWaalsContact C-N 3.33Å; Y227-V287 HydrophobicContact CD2-CG1 3.64Å; Y227-V287 HydrophobicContact CE2-CG1 4.5Å; Y227-V287 HydrophobicContact CG-CG1 3.89Å; Y227-L291 HydrophobicContact CD1-CD1 4.06Å; Y227-L291 HydrophobicContact CD1-CD2 4.13Å; Y227-L291 HydrophobicContact CE1-CD1 4.5Å; Y227-L291 HydrophobicContact CG-CD1 4.24Å
228	F	95.4	Very high	86.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-78.4	-16.8	173.3	-62.1	-50.1	0	0	0	113.5	S225 P226 N230 C237 L283 L286 V287 R290 V297 V298 A299	S225-F228 VanDerWaalsContact O-CD2 3.27Å; S225-F228 WeakPolarHBondContact O-CD2 3.33Å; S225-F228 PolarHBondContact O-N 3.41Å; P226-F228 PolarHBondContact O-N 3.33Å; F228-N230 PolarHBondContact O-N 3.47Å; F228-C237 PolarHBondContact O-SG 3.48Å; F228-C237 VanDerWaalsContact O-SG 3.35Å; F228-L283 HydrophobicContact CE2-CD1 4.13Å; F228-L283 HydrophobicContact CZ-CD1 4.07Å; F228-L286 HydrophobicContact CE1-CB 4.09Å; F228-L286 HydrophobicContact CZ-CB 4.03Å; F228-V287 HydrophobicContact CE1-CG2 4.18Å; F228-V287 HydrophobicContact CZ-CG2 3.96Å; F228-R290 HydrophobicContact CD1-CB 4.45Å; F228-R290 HydrophobicContact CD1-CG 4.19Å; F228-V297 HydrophobicContact CD1-CG2 4.26Å; F228-V297 WeakPolarHBondContact CD1-O 3.42Å; F228-V297 HydrophobicContact CE1-CG2 3.93Å; F228-V298 HydrophobicContact CB-CB 4.27Å; F228-V298 HydrophobicContact CB-CG2 3.9Å; F228-V298 HydrophobicContact CD2-CG2 4.21Å; F228-V298 HydrophobicContact CG-CB 4.44Å; F228-V298 HydrophobicContact CG-CG2 4.2Å; F228-A299 HydrophobicContact CE2-CB 3.92Å; F228-A299 HydrophobicContact CZ-CB 4.19Å
229	I	93	Very high	87.4	Confident	46 Å²	46	62 Å²	62	24%	0.236	33%	0.325	C	S	.	.			trans	-51.7	130.9	177.9	-65.6	167.9	0	0	0	109.6	Y223 P226 Y227 T231 Q235 K236 R290	Y223-I229 HydrophobicContact CE1-CD1 4.33Å; Y223-I229 HydrophobicContact CE1-CG1 3.93Å; P226-I229 HydrophobicContact CB-CD1 4.24Å; P226-I229 WeakPolarHBondContact O-CB 3.38Å; P226-I229 VanDerWaalsContact O-CD1 3.31Å; P226-I229 WeakPolarHBondContact O-CD1 3.31Å; P226-I229 WeakPolarHBondContact O-CG1 3.4Å; P226-I229 PolarHBondContact O-N 2.89Å; Y227-I229 VanDerWaalsContact C-N 3.33Å; I229-T231 WeakPolarHBondContact CG2-O 3.45Å; I229-Q235 HydrophobicContact CD1-CB 3.92Å; I229-Q235 HydrophobicContact CD1-CG 4.34Å; I229-K236 WeakPolarHBondContact CG2-O 3.16Å; I229-R290 PolarHBondContact O-NH2 3.33Å; I229-R290 VanDerWaalsContact O-NH2 3.07Å
230	N	90.5	Very high	87.4	Confident	62 Å²	62	68.6 Å²	68.6	33%	0.332	36%	0.356	S	S	.	.			trans	-125.6	-4.5	179.8	71.7	-6.9	0	0	0	113.2	F228 K236 C237 E238 F239 R290	F228-N230 PolarHBondContact O-N 3.47Å; N230-K236 PolarHBondContact N-O 3.41Å; N230-C237 WeakPolarHBondContact OD1-CA 3.46Å; N230-E238 PolarHBondContact ND2-O 3.25Å; N230-E238 PolarHBondContact OD1-N 2.7Å; N230-F239 VanDerWaalsContact ND2-CE1 3.34Å; N230-F239 WeakPolarHBondContact ND2-CE1 3.46Å; N230-R290 VanDerWaalsContact CB-NH2 3.26Å
231	T	82.4	Confident	87.6	Confident	29 Å²	29	67.5 Å²	67.5	18%	0.178	35%	0.35	C	S	.	.			trans	-103.9	139.7	175.5	61.6	0	0	0	0	111.7	I229 K233 G234 K236 E238	I229-T231 WeakPolarHBondContact CG2-O 3.45Å; T231-K233 VanDerWaalsContact C-N 3.35Å; T231-G234 PolarHBondContact OG1-O 2.86Å; T231-K236 HydrophobicContact CG2-CG 4Å; T231-K236 PolarHBondContact N-O 2.86Å; T231-K236 WeakPolarHBondContact OG1-CG 3.42Å; T231-K236 PolarHBondContact OG1-O 3.15Å; T231-E238 HydrophobicContact CG2-CB 4.09Å; T231-E238 HydrophobicContact CG2-CG 3.84Å; T231-E238 WeakPolarHBondContact CG2-OE2 3.38Å
232	S	74.5	Confident	87.8	Confident	129 Å²	129	62.1 Å²	62.1	90%	0.902	33%	0.33	S	S	*	.	S	Bend	trans	-80.5	-14.3	173.1	54	0	0	0	0	113.7
233	K	62.2	Low	88	Confident	174 Å²	174	62.2 Å²	62.2	76%	0.757	33%	0.327	S	S	*	.	S	Bend	trans	-116.8	113.5	179.7	-68.9	-174.7	179.6	-178.7	0	110.6	T231 K236	T231-K233 VanDerWaalsContact C-N 3.35Å; K233-K236 VanDerWaalsContact O-CE 3.24Å; K233-K236 WeakPolarHBondContact O-CE 3.35Å
234	G	63.8	Low	88.1	Confident	53 Å²	53	61.2 Å²	61.2	55%	0.546	32%	0.323	S	S	.	.	S	Bend	trans	74.9	132.9	-169.9	0	0	0	0	0	110.1	T231 K236	T231-G234 PolarHBondContact OG1-O 2.86Å; G234-K236 PolarHBondContact O-N 3.25Å
235	Q	84.1	Confident	88.1	Confident	142 Å²	142	59 Å²	59	66%	0.664	31%	0.312	S	S	*	.	S	Bend	trans	-71.7	74.7	177.5	-68.3	179.2	-18.6	0	0	109.6	I229	I229-Q235 HydrophobicContact CD1-CB 3.92Å; I229-Q235 HydrophobicContact CD1-CG 4.34Å
236	K	83.8	Confident	88.3	Confident	63 Å²	63	58.4 Å²	58.4	27%	0.274	31%	0.307	S	S	.	.			trans	-133	157.6	-175.7	61.9	-176.9	176.2	168	0	112.3	I229 N230 T231 K233 G234 E238 I349 V350 T351	I229-K236 WeakPolarHBondContact CG2-O 3.16Å; N230-K236 PolarHBondContact N-O 3.41Å; T231-K236 HydrophobicContact CG2-CG 4Å; T231-K236 PolarHBondContact N-O 2.86Å; T231-K236 WeakPolarHBondContact OG1-CG 3.42Å; T231-K236 PolarHBondContact OG1-O 3.15Å; K233-K236 VanDerWaalsContact O-CE 3.24Å; K233-K236 WeakPolarHBondContact O-CE 3.35Å; G234-K236 PolarHBondContact O-N 3.25Å; K236-E238 HydrophobicContact CD-CG 4.05Å; K236-E238 VanDerWaalsContact CD-OE1 3.25Å; K236-E238 WeakPolarHBondContact CD-OE1 3.47Å; K236-E238 WeakPolarHBondContact CE-OE1 3.49Å; K236-E238 HydrophobicContact CG-CG 4.16Å; K236-E238 IonicContact NZ-OE1 3.64Å; K236-E238 PolarHBondContact NZ-OE1 3.35Å; K236-E238 IonicContact NZ-OE2 3.72Å; K236-I349 HydrophobicContact CD-CG2 4.43Å; K236-V350 CarbonylContact C-O 3.58Å; K236-V350 VanDerWaalsContact CA-O 3.26Å; K236-V350 WeakPolarHBondContact CA-O 3.38Å; K236-T351 HydrophobicContact CB-CG2 4.3Å
237	C	92.1	Very high	88.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.1	170.4	-176.5	0	0	0	0	107.8	F228 N230 F239 V298 I349 V350	F228-C237 PolarHBondContact O-SG 3.48Å; F228-C237 VanDerWaalsContact O-SG 3.35Å; N230-C237 WeakPolarHBondContact OD1-CA 3.46Å; C237-F239 VanDerWaalsContact SG-CE2 3.52Å; C237-F239 VanDerWaalsContact SG-CZ 3.51Å; C237-V298 HydrophobicContact CB-CG2 4.33Å; C237-I349 WeakPolarHBondContact O-CA 3.42Å; C237-V350 HydrophobicContact CB-CB 4.28Å; C237-V350 PolarHBondContact N-O 2.94Å; C237-V350 PolarHBondContact O-N 2.97Å
238	E	89.7	Confident	88.4	Confident	63 Å²	63	49 Å²	49	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.2	-178.2	-66	-174	152.9	0	0	110.8	N230 T231 K236 V348 I349	N230-E238 PolarHBondContact ND2-O 3.25Å; N230-E238 PolarHBondContact OD1-N 2.7Å; T231-E238 HydrophobicContact CG2-CB 4.09Å; T231-E238 HydrophobicContact CG2-CG 3.84Å; T231-E238 WeakPolarHBondContact CG2-OE2 3.38Å; K236-E238 HydrophobicContact CD-CG 4.05Å; K236-E238 VanDerWaalsContact CD-OE1 3.25Å; K236-E238 WeakPolarHBondContact CD-OE1 3.47Å; K236-E238 WeakPolarHBondContact CE-OE1 3.49Å; K236-E238 HydrophobicContact CG-CG 4.16Å; K236-E238 IonicContact NZ-OE1 3.64Å; K236-E238 PolarHBondContact NZ-OE1 3.35Å; K236-E238 IonicContact NZ-OE2 3.72Å; E238-V348 CarbonylContact C-O 3.45Å; E238-V348 VanDerWaalsContact CA-O 3.32Å; E238-V348 WeakPolarHBondContact CA-O 3.5Å; E238-I349 HydrophobicContact CG-CG1 4.38Å; E238-I349 HydrophobicContact CG-CG2 4.4Å
239	F	93.5	Very high	88.3	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148	175.7	-67.4	-42.5	0	0	0	111.3	N230 C237 A242 P270 V272 Q296 V298 E347 V348	N230-F239 VanDerWaalsContact ND2-CE1 3.34Å; N230-F239 WeakPolarHBondContact ND2-CE1 3.46Å; C237-F239 VanDerWaalsContact SG-CE2 3.52Å; C237-F239 VanDerWaalsContact SG-CZ 3.51Å; F239-A242 HydrophobicContact CB-CB 4.09Å; F239-P270 HydrophobicContact CB-CB 3.69Å; F239-P270 HydrophobicContact CB-CG 3.87Å; F239-P270 HydrophobicContact CD1-CB 3.58Å; F239-P270 HydrophobicContact CD1-CG 3.81Å; F239-P270 HydrophobicContact CD2-CB 3.74Å; F239-P270 HydrophobicContact CE1-CB 4.09Å; F239-P270 HydrophobicContact CE2-CB 4.22Å; F239-P270 HydrophobicContact CG-CB 3.4Å; F239-P270 VanDerWaalsContact CG-CB 3.4Å; F239-P270 HydrophobicContact CG-CG 3.92Å; F239-P270 HydrophobicContact CZ-CB 4.39Å; F239-V272 HydrophobicContact CD2-CG2 4.22Å; F239-Q296 HydrophobicContact CD1-CB 4.36Å; F239-Q296 HydrophobicContact CE1-CB 3.68Å; F239-Q296 HydrophobicContact CE1-CG 4.14Å; F239-Q296 HydrophobicContact CZ-CB 4.04Å; F239-V298 HydrophobicContact CD2-CG1 4.07Å; F239-V298 HydrophobicContact CE2-CB 3.92Å; F239-V298 HydrophobicContact CE2-CG1 3.71Å; F239-E347 CarbonylContact O-C 3.43Å; F239-E347 WeakPolarHBondContact O-CA 3.48Å; F239-V348 HydrophobicContact CB-CB 4.45Å; F239-V348 PolarHBondContact N-O 3.46Å; F239-V348 PolarHBondContact O-N 2.94Å
240	Q	88.3	Confident	88.3	Confident	145 Å²	145	57.8 Å²	57.8	68%	0.678	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.9	173.5	-66.1	179.9	-5.9	0	0	109.3	A242 G346	Q240-A242 VanDerWaalsContact C-N 3.29Å; Q240-A242 PolarHBondContact O-N 3.4Å; Q240-G346 CarbonylContact C-O 3.1Å; Q240-G346 WeakPolarHBondContact CA-O 3.39Å
241	D	91	Very high	88.5	Confident	78 Å²	78	54.9 Å²	54.9	42%	0.417	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.2	49.2	-179	-80.4	-56.7	0	0	0	113.4	K269 V345 G346 K361	D241-K269 WeakPolarHBondContact O-CD 3.42Å; D241-V345 CarbonylContact C-O 3.59Å; D241-V345 VanDerWaalsContact CA-O 3.28Å; D241-V345 WeakPolarHBondContact CA-O 3.41Å; D241-G346 PolarHBondContact N-O 2.94Å; D241-K361 IonicContact OD1-NZ 3.56Å; D241-K361 PolarHBondContact OD1-NZ 2.82Å
242	A	95.1	Very high	89.1	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	154.6	-175.1	0	0	0	0	0	113.1	F239 Q240 P270 V272 V345 V348	F239-A242 HydrophobicContact CB-CB 4.09Å; Q240-A242 VanDerWaalsContact C-N 3.29Å; Q240-A242 PolarHBondContact O-N 3.4Å; A242-P270 WeakPolarHBondContact CA-O 3.28Å; A242-P270 HydrophobicContact CB-CB 3.92Å; A242-P270 HydrophobicContact CB-CG 4.41Å; A242-V272 HydrophobicContact CB-CG2 4.19Å; A242-V345 HydrophobicContact CB-CG2 3.95Å; A242-V345 PolarHBondContact N-O 2.75Å; A242-V345 VanDerWaalsContact N-O 3.08Å; A242-V345 WeakPolarHBondContact O-CG2 3.28Å; A242-V345 PolarHBondContact O-N 3.38Å; A242-V345 VanDerWaalsContact O-N 3.08Å; A242-V348 HydrophobicContact CB-CG2 4.34Å
243	Y	97.6	Very high	89.9	Confident	13 Å²	13	52.2 Å²	52.2	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	150.7	162.5	-74	-56.4	0	0	0	111.1	H267 K269 P270 V272 L342 G343 K344	Y243-H267 HydrophobicContact CE2-CB 4.1Å; Y243-K269 HydrophobicContact CD2-CB 3.84Å; Y243-K269 HydrophobicContact CD2-CD 4.13Å; Y243-K269 HydrophobicContact CE2-CB 3.92Å; Y243-K269 HydrophobicContact CE2-CD 3.61Å; Y243-K269 HydrophobicContact CE2-CG 4.27Å; Y243-P270 PolarHBondContact N-O 3.08Å; Y243-V272 PolarHBondContact O-N 3.03Å; Y243-L342 HydrophobicContact CD1-CB 3.85Å; Y243-L342 HydrophobicContact CD1-CD1 4.34Å; Y243-L342 HydrophobicContact CD2-CD1 4.36Å; Y243-L342 HydrophobicContact CG-CB 4.25Å; Y243-L342 HydrophobicContact CG-CD1 4.09Å; Y243-G343 CarbonylContact C-O 3.57Å; Y243-G343 VanDerWaalsContact CA-O 3.27Å; Y243-G343 WeakPolarHBondContact CA-O 3.49Å; Y243-K344 HydrophobicContact CD1-CG 3.86Å; Y243-K344 HydrophobicContact CE1-CD 4.27Å; Y243-K344 HydrophobicContact CE1-CG 3.76Å
244	V	97.3	Very high	91.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.3	176.5	-171.6	0	0	0	0	109	L246 V272 I274 T320 G343 V345	V244-L246 HydrophobicContact CG1-CD2 3.63Å; V244-L246 HydrophobicContact CG1-CG 4.08Å; V244-V272 CarbonylContact C-O 3.59Å; V244-V272 WeakPolarHBondContact CA-O 3.45Å; V244-V272 HydrophobicContact CG2-CB 4.48Å; V244-I274 HydrophobicContact CG1-CD1 3.98Å; V244-I274 HydrophobicContact CG1-CG1 4.35Å; V244-T320 HydrophobicContact CG2-CG2 4.47Å; V244-G343 PolarHBondContact N-O 3.02Å; V244-G343 PolarHBondContact O-N 2.75Å; V244-V345 HydrophobicContact CG2-CB 4.35Å; V244-V345 HydrophobicContact CG2-CG1 3.74Å; V244-V345 HydrophobicContact CG2-CG2 3.64Å
245	L	97.1	Very high	92.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.5	171.5	-178.9	74.2	0	0	0	108.7	I251 I257 A260 L271 V272 I273 I274 F325 L334 L342	L245-I251 HydrophobicContact CD2-CD1 4.46Å; L245-I257 HydrophobicContact CD2-CD1 3.33Å; L245-A260 HydrophobicContact CD1-CB 4.41Å; L245-A260 HydrophobicContact CD2-CB 4.07Å; L245-L271 HydrophobicContact CB-CD1 4.21Å; L245-V272 PolarHBondContact N-O 3.27Å; L245-I273 HydrophobicContact CB-CG1 4.43Å; L245-I273 HydrophobicContact CD2-CG1 4.25Å; L245-I273 HydrophobicContact CD2-CG2 4.22Å; L245-I274 PolarHBondContact O-N 3.02Å; L245-F325 HydrophobicContact CD1-CD2 3.71Å; L245-F325 HydrophobicContact CD1-CE2 3.5Å; L245-F325 VanDerWaalsContact CD1-CE2 3.5Å; L245-F325 HydrophobicContact CD1-CZ 4.36Å; L245-L334 HydrophobicContact CD1-CD2 3.98Å; L245-L334 HydrophobicContact CD2-CD2 4.2Å; L245-L334 HydrophobicContact CG-CD2 4.36Å; L245-L342 HydrophobicContact CB-CD2 3.89Å; L245-L342 HydrophobicContact CD1-CD2 3.59Å; L245-L342 HydrophobicContact CG-CD2 4.37Å
246	L	96.3	Very high	92.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.1	-177.6	-59.2	174.4	0	0	0	110	V244 I274 L313 M316 A317 V324 F325	V244-L246 HydrophobicContact CG1-CD2 3.63Å; V244-L246 HydrophobicContact CG1-CG 4.08Å; L246-I274 CarbonylContact C-O 3.57Å; L246-I274 WeakPolarHBondContact CA-O 3.35Å; L246-I274 HydrophobicContact CD2-CB 3.87Å; L246-I274 HydrophobicContact CD2-CD1 3.98Å; L246-I274 HydrophobicContact CD2-CG1 4.25Å; L246-I274 HydrophobicContact CD2-CG2 4.49Å; L246-L313 HydrophobicContact CD2-CD2 4.21Å; L246-M316 HydrophobicContact CD1-CB 4.25Å; L246-M316 HydrophobicContact CD2-CB 4.4Å; L246-A317 HydrophobicContact CD1-CB 3.48Å; L246-A317 VanDerWaalsContact CD1-CB 3.48Å; L246-V324 HydrophobicContact CB-CG2 4.45Å; L246-F325 WeakPolarHBondContact O-CD2 3.42Å; L246-F325 PolarHBondContact O-N 2.94Å
247	S	94.9	Very high	92.8	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.2	177.4	-169	0	0	0	0	111.3	K249 I274 A275 E276	S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact OG-N 3.08Å; S247-K249 PolarHBondContact OG-O 3.42Å; S247-I274 PolarHBondContact N-O 2.86Å; S247-A275 WeakPolarHBondContact O-CA 3.35Å; S247-E276 PolarHBondContact O-N 2.76Å
248	E	93.8	Very high	92.8	Very high	16 Å²	16	43 Å²	43	8%	0.075	22%	0.217	C	C	.	.	S	Bend	trans	-70.6	-28.6	173.1	-173.9	177.3	147.8	0	0	111.7	E276 K310 V324 F325 E327	E248-E276 WeakPolarHBondContact O-CB 3.41Å; E248-K310 HydrophobicContact CG-CG 4.32Å; E248-K310 VanDerWaalsContact OE1-CD 3.26Å; E248-K310 WeakPolarHBondContact OE1-CD 3.45Å; E248-K310 WeakPolarHBondContact OE1-CE 3.46Å; E248-K310 IonicContact OE1-NZ 3.94Å; E248-K310 PolarHBondContact OE1-NZ 3.45Å; E248-V324 HydrophobicContact CB-CG1 4.15Å; E248-F325 PolarHBondContact N-O 3.47Å; E248-E327 WeakPolarHBondContact OE2-CA 3.46Å
249	K	92.9	Very high	92.9	Very high	123 Å²	123	41.5 Å²	41.5	54%	0.535	21%	0.213	S	C	.	.	S	Bend	trans	-100.7	169.5	-174.8	-64	-176.5	-178.7	174.6	0	111.9	S247 E276 G326	S247-K249 VanDerWaalsContact C-N 3.27Å; S247-K249 PolarHBondContact OG-N 3.08Å; S247-K249 PolarHBondContact OG-O 3.42Å; K249-E276 PolarHBondContact O-N 3.32Å; K249-G326 WeakPolarHBondContact CE-O 3.45Å
250	K	94.3	Very high	92.9	Very high	106 Å²	106	41.2 Å²	41.2	46%	0.461	21%	0.212	S	C	.	.			trans	-70.1	144.2	170.9	-63.6	-172.9	177.9	-173.2	0	111.6	E276 D277	K250-E276 HydrophobicContact CG-CB 4.19Å; K250-E276 HydrophobicContact CG-CG 3.72Å; K250-D277 WeakPolarHBondContact CA-O 3.18Å; K250-D277 HydrophobicContact CD-CB 4.06Å; K250-D277 HydrophobicContact CG-CB 3.86Å
251	I	94.9	Very high	93	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-111.4	98.7	174.3	-54.9	178.8	0	0	0	108.5	L245 I257 I273 A275 D277 V278 D279 A282 L334	L245-I251 HydrophobicContact CD2-CD1 4.46Å; I251-I257 HydrophobicContact CD1-CD1 4.4Å; I251-I257 HydrophobicContact CG2-CB 4.32Å; I251-I273 HydrophobicContact CD1-CG2 3.96Å; I251-A275 HydrophobicContact CD1-CB 3.86Å; I251-A275 HydrophobicContact CG1-CB 3.99Å; I251-D277 PolarHBondContact N-O 2.97Å; I251-V278 HydrophobicContact CB-CG2 4.45Å; I251-D279 PolarHBondContact O-N 2.87Å; I251-A282 HydrophobicContact CG2-CB 4.02Å; I251-L334 HydrophobicContact CD1-CD1 4.08Å; I251-L334 HydrophobicContact CG1-CD1 3.97Å
252	S	94.1	Very high	93	Very high	55 Å²	55	37.3 Å²	37.3	39%	0.385	19%	0.192	S	C	.	.			trans	-107.7	-30.1	179.4	-50.4	0	0	0	0	112.9	D279 E281 A282	S252-D279 WeakPolarHBondContact CA-OD1 3.41Å; S252-D279 WeakPolarHBondContact CB-OD1 3.38Å; S252-D279 PolarHBondContact OG-OD1 2.95Å; S252-E281 PolarHBondContact O-N 3.38Å; S252-A282 PolarHBondContact O-N 2.82Å
253	S	91.9	Very high	92.9	Very high	48 Å²	48	38.4 Å²	38.4	34%	0.336	20%	0.197	S	C	.	.			trans	-91.7	133.6	-176.4	176.7	0	0	0	0	111.7	Q255 S256	S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact O-N 2.58Å; S253-Q255 PolarHBondContact OG-N 3.3Å; S253-S256 PolarHBondContact O-N 3.09Å; S253-S256 PolarHBondContact O-OG 3.03Å
254	V	88.8	Confident	92.6	Very high	22 Å²	22	38 Å²	38	13%	0.133	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-35	175.5	175	0	0	0	0	111.7	S256 I257 V258 E281 T285	V254-S256 PolarHBondContact O-N 3.24Å; V254-I257 WeakPolarHBondContact O-CG2 3.44Å; V254-I257 PolarHBondContact O-N 3.03Å; V254-V258 HydrophobicContact CG1-CG2 3.71Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.39Å; V254-V258 PolarHBondContact O-N 3.38Å; V254-E281 VanDerWaalsContact CG2-C 3.48Å; V254-E281 HydrophobicContact CG2-CB 3.81Å; V254-E281 HydrophobicContact CG2-CG 3.44Å; V254-E281 VanDerWaalsContact CG2-CG 3.44Å; V254-E281 WeakPolarHBondContact CG2-O 3.43Å; V254-T285 HydrophobicContact CG1-CG2 4.09Å; V254-T285 HydrophobicContact CG2-CG2 4.38Å; V254-T285 WeakPolarHBondContact CG2-OG1 3.35Å
255	Q	88.4	Confident	92.3	Very high	156 Å²	156	42.7 Å²	42.7	73%	0.729	22%	0.222	S	C	*	.	H	α-helix	trans	-57.9	-37.6	-176.7	-67.1	171.2	-17.9	0	0	112	S253 I257 P259	S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact O-N 2.58Å; S253-Q255 PolarHBondContact OG-N 3.3Å; Q255-I257 VanDerWaalsContact C-N 3.34Å; Q255-I257 PolarHBondContact O-N 3.04Å; Q255-P259 WeakPolarHBondContact O-CD 3.44Å
256	S	87.7	Confident	92	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-26.2	180	66.7	0	0	0	0	114	S253 V254 L334 E335	S253-S256 PolarHBondContact O-N 3.09Å; S253-S256 PolarHBondContact O-OG 3.03Å; V254-S256 PolarHBondContact O-N 3.24Å; S256-L334 WeakPolarHBondContact O-CB 3.38Å; S256-E335 WeakPolarHBondContact CB-OE1 3.4Å
257	I	89.8	Confident	91.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-99.9	-20.5	-174.1	-162	62.5	0	0	0	113.5	L245 I251 V254 Q255 A260 L261 I273 L286	L245-I257 HydrophobicContact CD2-CD1 3.33Å; I251-I257 HydrophobicContact CD1-CD1 4.4Å; I251-I257 HydrophobicContact CG2-CB 4.32Å; V254-I257 WeakPolarHBondContact O-CG2 3.44Å; V254-I257 PolarHBondContact O-N 3.03Å; Q255-I257 VanDerWaalsContact C-N 3.34Å; Q255-I257 PolarHBondContact O-N 3.04Å; I257-A260 HydrophobicContact CD1-CB 4.27Å; I257-A260 PolarHBondContact O-N 3.44Å; I257-L261 HydrophobicContact CG1-CD1 4.16Å; I257-L261 HydrophobicContact CG1-CG 4.18Å; I257-L261 HydrophobicContact CG2-CD1 4.02Å; I257-L261 WeakPolarHBondContact O-CG 3.4Å; I257-L261 PolarHBondContact O-N 3.31Å; I257-L261 VanDerWaalsContact O-N 3.13Å; I257-I273 HydrophobicContact CD1-CD1 3.74Å; I257-I273 HydrophobicContact CD1-CG1 4.29Å; I257-I273 HydrophobicContact CG1-CD1 4.05Å; I257-L286 HydrophobicContact CG1-CD2 4.49Å
258	V	91.3	Very high	91.6	Very high	50 Å²	50	61.7 Å²	61.7	30%	0.303	31%	0.313	S	S	.	.	H	α-helix	trans	-54.3	-48.2	-177.9	167.8	0	0	0	0	112.6	V254 A260 L261 E262	V254-V258 HydrophobicContact CG1-CG2 3.71Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.39Å; V254-V258 PolarHBondContact O-N 3.38Å; V258-A260 VanDerWaalsContact C-N 3.33Å; V258-A260 PolarHBondContact O-N 3.42Å; V258-L261 PolarHBondContact O-N 3.21Å; V258-L261 VanDerWaalsContact O-N 3.11Å; V258-E262 HydrophobicContact CG1-CG 4.23Å; V258-E262 WeakPolarHBondContact O-CG 3.33Å; V258-E262 PolarHBondContact O-N 3.02Å
259	P	92.9	Very high	91.5	Very high	32 Å²	32	64.1 Å²	64.1	21%	0.208	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-39.9	-178.7	-25	36.3	0	0	0	113	Q255 L261 E262 I263 V337	Q255-P259 WeakPolarHBondContact O-CD 3.44Å; P259-L261 VanDerWaalsContact C-N 3.34Å; P259-L261 PolarHBondContact O-N 2.87Å; P259-E262 PolarHBondContact O-N 3.01Å; P259-I263 WeakPolarHBondContact O-CG1 3.39Å; P259-I263 PolarHBondContact O-N 2.86Å; P259-V337 HydrophobicContact CB-CG1 3.73Å
260	A	92.3	Very high	91.7	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-38.9	176.6	0	0	0	0	0	112.2	L245 I257 V258 A264 L271 V337	L245-A260 HydrophobicContact CD1-CB 4.41Å; L245-A260 HydrophobicContact CD2-CB 4.07Å; I257-A260 HydrophobicContact CD1-CB 4.27Å; I257-A260 PolarHBondContact O-N 3.44Å; V258-A260 VanDerWaalsContact C-N 3.33Å; V258-A260 PolarHBondContact O-N 3.42Å; A260-A264 WeakPolarHBondContact O-CB 3.4Å; A260-A264 PolarHBondContact O-N 2.93Å; A260-A264 VanDerWaalsContact O-N 3.07Å; A260-L271 HydrophobicContact CB-CD2 4.28Å; A260-V337 HydrophobicContact CB-CG1 4.17Å
261	L	91.1	Very high	91.8	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.084	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-39.5	177.3	-65.4	168.6	0	0	0	111.9	I257 V258 P259 A264 N265 L271 L286 L295 V297	I257-L261 HydrophobicContact CG1-CD1 4.16Å; I257-L261 HydrophobicContact CG1-CG 4.18Å; I257-L261 HydrophobicContact CG2-CD1 4.02Å; I257-L261 WeakPolarHBondContact O-CG 3.4Å; I257-L261 PolarHBondContact O-N 3.31Å; I257-L261 VanDerWaalsContact O-N 3.13Å; V258-L261 PolarHBondContact O-N 3.21Å; V258-L261 VanDerWaalsContact O-N 3.11Å; P259-L261 VanDerWaalsContact C-N 3.34Å; P259-L261 PolarHBondContact O-N 2.87Å; L261-A264 PolarHBondContact O-N 3.32Å; L261-N265 VanDerWaalsContact O-CB 3.25Å; L261-N265 WeakPolarHBondContact O-CB 3.4Å; L261-N265 PolarHBondContact O-N 3.21Å; L261-L271 HydrophobicContact CD2-CD2 3.92Å; L261-L286 HydrophobicContact CD1-CD2 3.92Å; L261-L286 HydrophobicContact CD2-CD2 3.66Å; L261-L286 HydrophobicContact CG-CD2 4.35Å; L261-L295 HydrophobicContact CD2-CD2 3.83Å; L261-V297 HydrophobicContact CD2-CG1 3.75Å
262	E	90.9	Very high	91.9	Very high	126 Å²	126	53.7 Å²	53.7	59%	0.589	28%	0.279	S	S	*	.	H	α-helix	trans	-62.8	-44.1	176.1	-73.4	-179.8	171.4	0	0	111.4	V258 P259 N265 A266	V258-E262 HydrophobicContact CG1-CG 4.23Å; V258-E262 WeakPolarHBondContact O-CG 3.33Å; V258-E262 PolarHBondContact O-N 3.02Å; P259-E262 PolarHBondContact O-N 3.01Å; E262-N265 PolarHBondContact O-N 3.01Å; E262-A266 WeakPolarHBondContact O-CB 3.46Å; E262-A266 PolarHBondContact O-N 3.4Å
263	I	92.9	Very high	92	Very high	24 Å²	24	51.1 Å²	51.1	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-49.5	175.2	-69.3	167.4	0	0	0	110.9	P259 N265 A266 H267 V337 P339 L342	P259-I263 WeakPolarHBondContact O-CG1 3.39Å; P259-I263 PolarHBondContact O-N 2.86Å; I263-N265 VanDerWaalsContact C-N 3.33Å; I263-N265 PolarHBondContact O-N 2.92Å; I263-A266 PolarHBondContact O-N 2.82Å; I263-H267 PolarHBondContact O-CD2 2.77Å; I263-H267 VanDerWaalsContact O-CD2 3.29Å; I263-H267 PolarHBondContact O-N 3.01Å; I263-H267 VanDerWaalsContact O-N 3.1Å; I263-V337 HydrophobicContact CD1-CG1 4.02Å; I263-V337 HydrophobicContact CD1-CG2 4.32Å; I263-V337 VanDerWaalsContact CD1-O 3.29Å; I263-V337 WeakPolarHBondContact CD1-O 3.44Å; I263-P339 HydrophobicContact CD1-CG 4.45Å; I263-P339 HydrophobicContact CG2-CB 4.15Å; I263-P339 HydrophobicContact CG2-CG 3.93Å; I263-L342 HydrophobicContact CG2-CD1 3.84Å
264	A	91.6	Very high	92.3	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-43.7	179.8	0	0	0	0	0	111.8	A260 L261 H267 R268 K269 L271	A260-A264 WeakPolarHBondContact O-CB 3.4Å; A260-A264 PolarHBondContact O-N 2.93Å; A260-A264 VanDerWaalsContact O-N 3.07Å; L261-A264 PolarHBondContact O-N 3.32Å; A264-H267 PolarHBondContact O-N 3.34Å; A264-R268 PolarHBondContact O-N 3.05Å; A264-K269 PolarHBondContact O-N 3.41Å; A264-L271 HydrophobicContact CB-CB 3.84Å; A264-L271 HydrophobicContact CB-CD2 4.26Å; A264-L271 HydrophobicContact CB-CG 4.45Å
265	N	90.2	Very high	92.7	Very high	101 Å²	101	47.8 Å²	47.8	54%	0.54	24%	0.239	S	C	.	.	H	α-helix	trans	-69.1	-41	179	-170.7	48.8	0	0	0	112.6	L261 E262 I263 H267 R268 L295	L261-N265 VanDerWaalsContact O-CB 3.25Å; L261-N265 WeakPolarHBondContact O-CB 3.4Å; L261-N265 PolarHBondContact O-N 3.21Å; E262-N265 PolarHBondContact O-N 3.01Å; I263-N265 VanDerWaalsContact C-N 3.33Å; I263-N265 PolarHBondContact O-N 2.92Å; N265-H267 VanDerWaalsContact C-N 3.29Å; N265-H267 PolarHBondContact O-N 3.3Å; N265-R268 PolarHBondContact O-N 3.41Å; N265-L295 HydrophobicContact CB-CD1 4.12Å
266	A	91.4	Very high	93	Very high	78 Å²	78	43.2 Å²	43.2	65%	0.645	22%	0.218	S	C	*	.	H	α-helix	trans	-60.2	-39.8	177	0	0	0	0	0	111.8	E262 I263 R268	E262-A266 WeakPolarHBondContact O-CB 3.46Å; E262-A266 PolarHBondContact O-N 3.4Å; I263-A266 PolarHBondContact O-N 2.82Å; A266-R268 VanDerWaalsContact C-N 3.32Å
267	H	90.5	Very high	93.3	Very high	100 Å²	100	44 Å²	44	46%	0.463	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.2	175.1	-72.7	-70.7	0	0	0	114.2	Y243 I263 A264 N265 K269	Y243-H267 HydrophobicContact CE2-CB 4.1Å; I263-H267 PolarHBondContact O-CD2 2.77Å; I263-H267 VanDerWaalsContact O-CD2 3.29Å; I263-H267 PolarHBondContact O-N 3.01Å; I263-H267 VanDerWaalsContact O-N 3.1Å; A264-H267 PolarHBondContact O-N 3.34Å; N265-H267 VanDerWaalsContact C-N 3.29Å; N265-H267 PolarHBondContact O-N 3.3Å; H267-K269 VanDerWaalsContact C-N 3.27Å; H267-K269 HydrophobicContact CB-CG 4.49Å; H267-K269 PolarHBondContact O-N 3.19Å
268	R	90.8	Very high	93.6	Very high	226 Å²	226	44.1 Å²	44.1	85%	0.853	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.8	-176.1	-54.8	-174.9	-168.5	-169.8	3	113	A264 N265 A266	A264-R268 PolarHBondContact O-N 3.05Å; N265-R268 PolarHBondContact O-N 3.41Å; A266-R268 VanDerWaalsContact C-N 3.32Å
269	K	93.3	Very high	93.8	Very high	67 Å²	67	44.3 Å²	44.3	29%	0.291	22%	0.221	S	C	.	.			trans	-115.8	146.5	178.8	-73.7	-173.5	171.1	-163.7	0	111.4	D241 Y243 A264 H267	D241-K269 WeakPolarHBondContact O-CD 3.42Å; Y243-K269 HydrophobicContact CD2-CB 3.84Å; Y243-K269 HydrophobicContact CD2-CD 4.13Å; Y243-K269 HydrophobicContact CE2-CB 3.92Å; Y243-K269 HydrophobicContact CE2-CD 3.61Å; Y243-K269 HydrophobicContact CE2-CG 4.27Å; A264-K269 PolarHBondContact O-N 3.41Å; H267-K269 VanDerWaalsContact C-N 3.27Å; H267-K269 HydrophobicContact CB-CG 4.49Å; H267-K269 PolarHBondContact O-N 3.19Å
270	P	95.9	Very high	93.7	Very high	9 Å²	9	45 Å²	45	6%	0.058	23%	0.234	C	C	.	.			trans	-61.6	151.7	170.3	-17.1	28	0	0	0	112.1	F239 A242 Y243 Q296	F239-P270 HydrophobicContact CB-CB 3.69Å; F239-P270 HydrophobicContact CB-CG 3.87Å; F239-P270 HydrophobicContact CD1-CB 3.58Å; F239-P270 HydrophobicContact CD1-CG 3.81Å; F239-P270 HydrophobicContact CD2-CB 3.74Å; F239-P270 HydrophobicContact CE1-CB 4.09Å; F239-P270 HydrophobicContact CE2-CB 4.22Å; F239-P270 HydrophobicContact CG-CB 3.4Å; F239-P270 VanDerWaalsContact CG-CB 3.4Å; F239-P270 HydrophobicContact CG-CG 3.92Å; F239-P270 HydrophobicContact CZ-CB 4.39Å; A242-P270 WeakPolarHBondContact CA-O 3.28Å; A242-P270 HydrophobicContact CB-CB 3.92Å; A242-P270 HydrophobicContact CB-CG 4.41Å; Y243-P270 PolarHBondContact N-O 3.08Å; P270-Q296 CarbonylContact C-O 3.58Å; P270-Q296 VanDerWaalsContact CA-O 3.25Å; P270-Q296 WeakPolarHBondContact CA-O 3.49Å; P270-Q296 HydrophobicContact CB-CB 3.93Å; P270-Q296 HydrophobicContact CG-CB 4.23Å
271	L	96.6	Very high	93.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.8	176.2	-177.5	67.1	0	0	0	111.4	L245 A260 L261 A264 I273 Q296 V297 V298 L342	L245-L271 HydrophobicContact CB-CD1 4.21Å; A260-L271 HydrophobicContact CB-CD2 4.28Å; L261-L271 HydrophobicContact CD2-CD2 3.92Å; A264-L271 HydrophobicContact CB-CB 3.84Å; A264-L271 HydrophobicContact CB-CD2 4.26Å; A264-L271 HydrophobicContact CB-CG 4.45Å; L271-I273 HydrophobicContact CD2-CD1 4.3Å; L271-I273 HydrophobicContact CD2-CG1 4.11Å; L271-I273 HydrophobicContact CG-CG1 4.12Å; L271-Q296 PolarHBondContact N-O 2.91Å; L271-V297 HydrophobicContact CB-CG1 4.28Å; L271-V297 VanDerWaalsContact O-CA 3.28Å; L271-V297 WeakPolarHBondContact O-CA 3.31Å; L271-V298 PolarHBondContact O-N 3.18Å; L271-L342 HydrophobicContact CD1-CD2 4.31Å
272	V	97.1	Very high	93.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.6	172.9	-177.6	0	0	0	0	108.1	F239 A242 Y243 V244 L245 I274 V298 V348	F239-V272 HydrophobicContact CD2-CG2 4.22Å; A242-V272 HydrophobicContact CB-CG2 4.19Å; Y243-V272 PolarHBondContact O-N 3.03Å; V244-V272 CarbonylContact C-O 3.59Å; V244-V272 WeakPolarHBondContact CA-O 3.45Å; V244-V272 HydrophobicContact CG2-CB 4.48Å; L245-V272 PolarHBondContact N-O 3.27Å; V272-I274 HydrophobicContact CG1-CD1 4.37Å; V272-I274 HydrophobicContact CG1-CG1 4.08Å; V272-V298 HydrophobicContact CB-CG1 4.18Å; V272-V298 HydrophobicContact CG1-CG1 3.99Å; V272-V298 HydrophobicContact CG2-CG1 3.85Å; V272-V348 HydrophobicContact CG2-CB 4.23Å; V272-V348 HydrophobicContact CG2-CG1 3.91Å; V272-V348 HydrophobicContact CG2-CG2 4.02Å
273	I	97.5	Very high	94	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.6	-179.9	-58.6	164.4	0	0	0	108.2	L245 I251 I257 L271 V278 L286 V298 A299 V300	L245-I273 HydrophobicContact CB-CG1 4.43Å; L245-I273 HydrophobicContact CD2-CG1 4.25Å; L245-I273 HydrophobicContact CD2-CG2 4.22Å; I251-I273 HydrophobicContact CD1-CG2 3.96Å; I257-I273 HydrophobicContact CD1-CD1 3.74Å; I257-I273 HydrophobicContact CD1-CG1 4.29Å; I257-I273 HydrophobicContact CG1-CD1 4.05Å; L271-I273 HydrophobicContact CD2-CD1 4.3Å; L271-I273 HydrophobicContact CD2-CG1 4.11Å; L271-I273 HydrophobicContact CG-CG1 4.12Å; I273-V278 HydrophobicContact CG2-CG2 4.01Å; I273-L286 HydrophobicContact CD1-CD1 3.75Å; I273-L286 HydrophobicContact CD1-CD2 3.83Å; I273-L286 HydrophobicContact CD1-CG 4.47Å; I273-V298 PolarHBondContact N-O 2.96Å; I273-A299 HydrophobicContact CB-CB 4.4Å; I273-A299 WeakPolarHBondContact O-CA 3.45Å; I273-V300 PolarHBondContact O-N 3.37Å
274	I	97.5	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.7	176.5	-49.1	-178.4	0	0	0	107.4	F219 V244 L245 L246 S247 V272 V300 A302 L313 M316 L357	F219-I274 HydrophobicContact CE1-CD1 4.36Å; F219-I274 HydrophobicContact CZ-CD1 3.88Å; V244-I274 HydrophobicContact CG1-CD1 3.98Å; V244-I274 HydrophobicContact CG1-CG1 4.35Å; L245-I274 PolarHBondContact O-N 3.02Å; L246-I274 CarbonylContact C-O 3.57Å; L246-I274 WeakPolarHBondContact CA-O 3.35Å; L246-I274 HydrophobicContact CD2-CB 3.87Å; L246-I274 HydrophobicContact CD2-CD1 3.98Å; L246-I274 HydrophobicContact CD2-CG1 4.25Å; L246-I274 HydrophobicContact CD2-CG2 4.49Å; S247-I274 PolarHBondContact N-O 2.86Å; V272-I274 HydrophobicContact CG1-CD1 4.37Å; V272-I274 HydrophobicContact CG1-CG1 4.08Å; I274-V300 WeakPolarHBondContact CA-O 3.18Å; I274-A302 HydrophobicContact CG2-CB 4.27Å; I274-L313 HydrophobicContact CG2-CD2 3.99Å; I274-M316 HydrophobicContact CD1-CE 3.38Å; I274-L357 HydrophobicContact CD1-CD1 4.1Å
275	A	96.6	Very high	94	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.7	-176.6	0	0	0	0	0	110.7	S247 I251 D277 V278 V300 K301 A302	S247-A275 WeakPolarHBondContact O-CA 3.35Å; I251-A275 HydrophobicContact CD1-CB 3.86Å; I251-A275 HydrophobicContact CG1-CB 3.99Å; A275-D277 PolarHBondContact O-N 3.46Å; A275-V278 HydrophobicContact CB-CG2 3.87Å; A275-V300 PolarHBondContact N-O 3.26Å; A275-K301 CarbonylContact O-C 3.55Å; A275-K301 WeakPolarHBondContact O-CA 3.14Å; A275-A302 PolarHBondContact O-N 3.42Å
276	E	94.9	Very high	94.2	Very high	61 Å²	61	45 Å²	45	29%	0.285	24%	0.241	S	C	.	.	S	Bend	trans	-49.8	-46.1	170.6	162.2	169	-139.7	0	0	111.3	S247 E248 K249 K250 R309	S247-E276 PolarHBondContact O-N 2.76Å; E248-E276 WeakPolarHBondContact O-CB 3.41Å; K249-E276 PolarHBondContact O-N 3.32Å; K250-E276 HydrophobicContact CG-CB 4.19Å; K250-E276 HydrophobicContact CG-CG 3.72Å; E276-R309 VanDerWaalsContact CD-NH1 3.31Å; E276-R309 VanDerWaalsContact CG-NH1 3.3Å; E276-R309 IonicContact OE1-CZ 3.95Å; E276-R309 VanDerWaalsContact OE1-CZ 3.28Å; E276-R309 IonicContact OE1-NH1 3.68Å; E276-R309 PolarHBondContact OE1-NH1 3.48Å; E276-R309 IonicContact OE1-NH2 2.8Å; E276-R309 PolarHBondContact OE1-NH2 3.48Å; E276-R309 IonicContact OE2-NH2 2.72Å
277	D	95.1	Very high	94.3	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.144	22%	0.216	C	C	.	.			trans	-156.2	155.8	168	-144.8	-16.8	0	0	0	110.1	K250 I251 A275 K301	K250-D277 WeakPolarHBondContact CA-O 3.18Å; K250-D277 HydrophobicContact CD-CB 4.06Å; K250-D277 HydrophobicContact CG-CB 3.86Å; I251-D277 PolarHBondContact N-O 2.97Å; A275-D277 PolarHBondContact O-N 3.46Å; D277-K301 WeakPolarHBondContact OD1-CE 3.41Å; D277-K301 IonicContact OD1-NZ 2.73Å; D277-K301 PolarHBondContact OD1-NZ 3Å; D277-K301 IonicContact OD2-NZ 2.74Å; D277-K301 PolarHBondContact OD2-NZ 2.95Å
278	V	95.7	Very high	94.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-125.1	111.1	169.7	-174.6	0	0	0	0	107.6	I224 I251 I273 A275 A282 L283 L286 A299	I224-V278 HydrophobicContact CD1-CB 3.74Å; I224-V278 HydrophobicContact CD1-CG2 4.06Å; I251-V278 HydrophobicContact CB-CG2 4.45Å; I273-V278 HydrophobicContact CG2-CG2 4.01Å; A275-V278 HydrophobicContact CB-CG2 3.87Å; V278-A282 HydrophobicContact CG1-CB 4.42Å; V278-L283 HydrophobicContact CG1-CB 4.32Å; V278-L286 HydrophobicContact CG1-CD1 3.9Å; V278-A299 HydrophobicContact CB-CB 4.2Å; V278-A299 HydrophobicContact CG1-CB 4.37Å; V278-A299 HydrophobicContact CG2-CB 4.08Å
279	D	94.1	Very high	94.2	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	19%	0.186	S	C	.	.			trans	-137.5	-175.4	-171.6	68.3	4.2	0	0	0	112.7	I251 S252 E281 A282 L283	I251-D279 PolarHBondContact O-N 2.87Å; S252-D279 WeakPolarHBondContact CA-OD1 3.41Å; S252-D279 WeakPolarHBondContact CB-OD1 3.38Å; S252-D279 PolarHBondContact OG-OD1 2.95Å; D279-E281 PolarHBondContact O-N 3.49Å; D279-A282 PolarHBondContact O-N 3.3Å; D279-L283 PolarHBondContact O-N 3.43Å
280	G	92.7	Very high	94	Very high	48 Å²	48	31.8 Å²	31.8	50%	0.495	18%	0.18	S	C	.	.	H	α-helix	trans	57.2	-132.2	172.9	0	0	0	0	0	115	S284	G280-S284 PolarHBondContact O-N 3.44Å; G280-S284 PolarHBondContact O-OG 2.98Å
281	E	92.8	Very high	93.7	Very high	125 Å²	125	36.3 Å²	36.3	58%	0.584	20%	0.203	S	C	*	.	H	α-helix	trans	-70.7	-35.3	-175.7	-159	-166.3	162.6	0	0	111.6	S252 V254 D279 S284 T285	S252-E281 PolarHBondContact O-N 3.38Å; V254-E281 VanDerWaalsContact CG2-C 3.48Å; V254-E281 HydrophobicContact CG2-CB 3.81Å; V254-E281 HydrophobicContact CG2-CG 3.44Å; V254-E281 VanDerWaalsContact CG2-CG 3.44Å; V254-E281 WeakPolarHBondContact CG2-O 3.43Å; D279-E281 PolarHBondContact O-N 3.49Å; E281-S284 PolarHBondContact O-N 2.85Å; E281-T285 WeakPolarHBondContact O-CB 3.27Å; E281-T285 PolarHBondContact O-N 3.4Å; E281-T285 PolarHBondContact O-OG1 3.21Å
282	A	93.2	Very high	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-51.1	177.1	0	0	0	0	0	111.7	I251 S252 V278 D279 S284 T285 L286	I251-A282 HydrophobicContact CG2-CB 4.02Å; S252-A282 PolarHBondContact O-N 2.82Å; V278-A282 HydrophobicContact CG1-CB 4.42Å; D279-A282 PolarHBondContact O-N 3.3Å; A282-S284 VanDerWaalsContact C-N 3.35Å; A282-S284 PolarHBondContact O-N 3.14Å; A282-T285 PolarHBondContact O-N 3.49Å; A282-L286 WeakPolarHBondContact O-CG 3.28Å; A282-L286 PolarHBondContact O-N 3.34Å
283	L	94.3	Very high	92.8	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.188	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-44	178.3	-178.3	63.3	0	0	0	111.9	I224 F228 V278 D279 T285 L286 V287	I224-L283 HydrophobicContact CB-CD1 4.46Å; I224-L283 HydrophobicContact CG2-CD1 4.03Å; I224-L283 HydrophobicContact CG2-CD2 3.82Å; F228-L283 HydrophobicContact CE2-CD1 4.13Å; F228-L283 HydrophobicContact CZ-CD1 4.07Å; V278-L283 HydrophobicContact CG1-CB 4.32Å; D279-L283 PolarHBondContact O-N 3.43Å; L283-T285 VanDerWaalsContact C-N 3.28Å; L283-T285 PolarHBondContact O-N 2.97Å; L283-L286 PolarHBondContact O-N 2.96Å; L283-V287 HydrophobicContact CD1-CG2 4.37Å; L283-V287 WeakPolarHBondContact O-CG2 3.31Å; L283-V287 PolarHBondContact O-N 3.33Å
284	S	93.2	Very high	92.1	Very high	75 Å²	75	51 Å²	51	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-40.9	179.3	-58.9	0	0	0	0	111.5	G280 E281 A282 L288	G280-S284 PolarHBondContact O-N 3.44Å; G280-S284 PolarHBondContact O-OG 2.98Å; E281-S284 PolarHBondContact O-N 2.85Å; A282-S284 VanDerWaalsContact C-N 3.35Å; A282-S284 PolarHBondContact O-N 3.14Å; S284-L288 VanDerWaalsContact O-CB 3.3Å; S284-L288 WeakPolarHBondContact O-CB 3.45Å; S284-L288 PolarHBondContact O-N 3.38Å
285	T	90.9	Very high	91.6	Very high	35 Å²	35	52.3 Å²	52.3	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-41.2	178.7	-60.2	0	0	0	0	112.2	V254 E281 A282 L283 L288 N289	V254-T285 HydrophobicContact CG1-CG2 4.09Å; V254-T285 HydrophobicContact CG2-CG2 4.38Å; V254-T285 WeakPolarHBondContact CG2-OG1 3.35Å; E281-T285 WeakPolarHBondContact O-CB 3.27Å; E281-T285 PolarHBondContact O-N 3.4Å; E281-T285 PolarHBondContact O-OG1 3.21Å; A282-T285 PolarHBondContact O-N 3.49Å; L283-T285 VanDerWaalsContact C-N 3.28Å; L283-T285 PolarHBondContact O-N 2.97Å; T285-L288 PolarHBondContact O-N 2.84Å; T285-N289 WeakPolarHBondContact CG2-ND2 3.35Å; T285-N289 WeakPolarHBondContact O-CB 3.34Å; T285-N289 PolarHBondContact O-N 3.02Å; T285-N289 PolarHBondContact O-ND2 3.21Å
286	L	93.4	Very high	91.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-46.6	175.3	-69.7	170.8	0	0	0	111.5	F228 I257 L261 I273 V278 A282 L283 R290 V297 A299	F228-L286 HydrophobicContact CE1-CB 4.09Å; F228-L286 HydrophobicContact CZ-CB 4.03Å; I257-L286 HydrophobicContact CG1-CD2 4.49Å; L261-L286 HydrophobicContact CD1-CD2 3.92Å; L261-L286 HydrophobicContact CD2-CD2 3.66Å; L261-L286 HydrophobicContact CG-CD2 4.35Å; I273-L286 HydrophobicContact CD1-CD1 3.75Å; I273-L286 HydrophobicContact CD1-CD2 3.83Å; I273-L286 HydrophobicContact CD1-CG 4.47Å; V278-L286 HydrophobicContact CG1-CD1 3.9Å; A282-L286 WeakPolarHBondContact O-CG 3.28Å; A282-L286 PolarHBondContact O-N 3.34Å; L283-L286 PolarHBondContact O-N 2.96Å; L286-R290 VanDerWaalsContact O-CB 3.25Å; L286-R290 WeakPolarHBondContact O-CB 3.34Å; L286-R290 PolarHBondContact O-N 3.46Å; L286-V297 HydrophobicContact CB-CG2 4.4Å; L286-V297 HydrophobicContact CD2-CB 4.48Å; L286-V297 HydrophobicContact CD2-CG2 4.18Å; L286-A299 HydrophobicContact CD1-CB 4.29Å
287	V	93.2	Very high	91.5	Very high	20 Å²	20	54.2 Å²	54.2	12%	0.121	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-44.5	178.8	171	0	0	0	0	111.2	Y227 F228 L283 N289 R290 L291	Y227-V287 HydrophobicContact CD2-CG1 3.64Å; Y227-V287 HydrophobicContact CE2-CG1 4.5Å; Y227-V287 HydrophobicContact CG-CG1 3.89Å; F228-V287 HydrophobicContact CE1-CG2 4.18Å; F228-V287 HydrophobicContact CZ-CG2 3.96Å; L283-V287 HydrophobicContact CD1-CG2 4.37Å; L283-V287 WeakPolarHBondContact O-CG2 3.31Å; L283-V287 PolarHBondContact O-N 3.33Å; V287-N289 PolarHBondContact O-N 2.88Å; V287-R290 PolarHBondContact O-N 3.48Å; V287-L291 HydrophobicContact CG1-CD1 3.86Å; V287-L291 HydrophobicContact CG1-CG 4.44Å; V287-L291 WeakPolarHBondContact O-CB 3.35Å; V287-L291 WeakPolarHBondContact O-CG 3.05Å; V287-L291 PolarHBondContact O-N 3.18Å
288	L	91.1	Very high	91.6	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-44	-179.9	-172.2	153.6	0	0	0	111.6	S284 T285 L291 K292	S284-L288 VanDerWaalsContact O-CB 3.3Å; S284-L288 WeakPolarHBondContact O-CB 3.45Å; S284-L288 PolarHBondContact O-N 3.38Å; T285-L288 PolarHBondContact O-N 2.84Å; L288-L291 PolarHBondContact O-N 2.98Å; L288-K292 HydrophobicContact CD2-CD 3.77Å; L288-K292 HydrophobicContact CD2-CG 4.21Å; L288-K292 HydrophobicContact CG-CD 4.22Å; L288-K292 HydrophobicContact CG-CG 4.46Å; L288-K292 WeakPolarHBondContact O-CB 3.47Å; L288-K292 PolarHBondContact O-N 3.3Å
289	N	88.2	Confident	91.7	Very high	46 Å²	46	52.8 Å²	52.8	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-36.9	177	-76.1	-56	0	0	0	112.3	T285 V287 L291 V293 G294 L295	T285-N289 WeakPolarHBondContact CG2-ND2 3.35Å; T285-N289 WeakPolarHBondContact O-CB 3.34Å; T285-N289 PolarHBondContact O-N 3.02Å; T285-N289 PolarHBondContact O-ND2 3.21Å; V287-N289 PolarHBondContact O-N 2.88Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 3.4Å; N289-V293 CarbonylContact O-C 3.57Å; N289-V293 WeakPolarHBondContact O-CA 3.22Å; N289-V293 WeakPolarHBondContact O-CB 3.28Å; N289-V293 PolarHBondContact O-N 2.88Å; N289-G294 PolarHBondContact O-N 2.98Å; N289-G294 VanDerWaalsContact O-N 3.14Å; N289-L295 HydrophobicContact CB-CB 4.28Å; N289-L295 HydrophobicContact CB-CD2 4.21Å; N289-L295 PolarHBondContact O-N 3.28Å
290	R	90.6	Very high	91.8	Very high	44 Å²	44	50.3 Å²	50.3	17%	0.166	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-40.6	173	176.3	64.1	-174.2	85.2	5	112.3	F228 I229 N230 L286 V287 G294 L295 V297	F228-R290 HydrophobicContact CD1-CB 4.45Å; F228-R290 HydrophobicContact CD1-CG 4.19Å; I229-R290 PolarHBondContact O-NH2 3.33Å; I229-R290 VanDerWaalsContact O-NH2 3.07Å; N230-R290 VanDerWaalsContact CB-NH2 3.26Å; L286-R290 VanDerWaalsContact O-CB 3.25Å; L286-R290 WeakPolarHBondContact O-CB 3.34Å; L286-R290 PolarHBondContact O-N 3.46Å; V287-R290 PolarHBondContact O-N 3.48Å; R290-G294 WeakPolarHBondContact O-CA 3.3Å; R290-G294 PolarHBondContact O-N 3.4Å; R290-L295 WeakPolarHBondContact CD-O 3.24Å; R290-V297 HydrophobicContact CB-CG2 4.28Å
291	L	89.9	Confident	92.1	Very high	104 Å²	104	51.5 Å²	51.5	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-81.8	-42.4	-177.9	-70.2	173.9	0	0	0	113.5	Y227 V287 L288 N289	Y227-L291 HydrophobicContact CD1-CD1 4.06Å; Y227-L291 HydrophobicContact CD1-CD2 4.13Å; Y227-L291 HydrophobicContact CE1-CD1 4.5Å; Y227-L291 HydrophobicContact CG-CD1 4.24Å; V287-L291 HydrophobicContact CG1-CD1 3.86Å; V287-L291 HydrophobicContact CG1-CG 4.44Å; V287-L291 WeakPolarHBondContact O-CB 3.35Å; V287-L291 WeakPolarHBondContact O-CG 3.05Å; V287-L291 PolarHBondContact O-N 3.18Å; L288-L291 PolarHBondContact O-N 2.98Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 3.4Å
292	K	89.2	Confident	92.2	Very high	166 Å²	166	45.7 Å²	45.7	72%	0.722	25%	0.247	S	C	*	.	H	α-helix	trans	-86.4	-42.7	-175.9	-69.5	-163.9	-177.9	-179.5	0	113.6	L288	L288-K292 HydrophobicContact CD2-CD 3.77Å; L288-K292 HydrophobicContact CD2-CG 4.21Å; L288-K292 HydrophobicContact CG-CD 4.22Å; L288-K292 HydrophobicContact CG-CG 4.46Å; L288-K292 WeakPolarHBondContact O-CB 3.47Å; L288-K292 PolarHBondContact O-N 3.3Å
293	V	85.1	Confident	92.1	Very high	104 Å²	104	46 Å²	46	63%	0.63	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-13.9	-172.7	-172.2	0	0	0	0	111.1	N289 L295	N289-V293 CarbonylContact O-C 3.57Å; N289-V293 WeakPolarHBondContact O-CA 3.22Å; N289-V293 WeakPolarHBondContact O-CB 3.28Å; N289-V293 PolarHBondContact O-N 2.88Å; V293-L295 VanDerWaalsContact C-N 3.26Å
294	G	83.2	Confident	91.8	Very high	40 Å²	40	45.7 Å²	45.7	41%	0.412	25%	0.254	S	S	.	.			trans	73.1	20.3	-175.9	0	0	0	0	0	112.9	N289 R290 Q296	N289-G294 PolarHBondContact O-N 2.98Å; N289-G294 VanDerWaalsContact O-N 3.14Å; R290-G294 WeakPolarHBondContact O-CA 3.3Å; R290-G294 PolarHBondContact O-N 3.4Å; G294-Q296 PolarHBondContact O-N 3.29Å
295	L	87.3	Confident	91.4	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.141	27%	0.266	C	S	.	.			trans	-59.7	126.9	-178.6	-169.9	73.3	0	0	0	110.4	L261 N265 N289 R290 V293 V297	L261-L295 HydrophobicContact CD2-CD2 3.83Å; N265-L295 HydrophobicContact CB-CD1 4.12Å; N289-L295 HydrophobicContact CB-CB 4.28Å; N289-L295 HydrophobicContact CB-CD2 4.21Å; N289-L295 PolarHBondContact O-N 3.28Å; R290-L295 WeakPolarHBondContact CD-O 3.24Å; V293-L295 VanDerWaalsContact C-N 3.26Å; L295-V297 HydrophobicContact CD2-CG1 3.65Å; L295-V297 HydrophobicContact CG-CG1 3.81Å; L295-V297 PolarHBondContact O-N 3.47Å
296	Q	93.3	Very high	91.4	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	27%	0.271	S	S	.	.			trans	-80.3	86.3	-175.7	-68	178.6	-28.1	0	0	110.7	F239 P270 L271 G294	F239-Q296 HydrophobicContact CD1-CB 4.36Å; F239-Q296 HydrophobicContact CE1-CB 3.68Å; F239-Q296 HydrophobicContact CE1-CG 4.14Å; F239-Q296 HydrophobicContact CZ-CB 4.04Å; P270-Q296 CarbonylContact C-O 3.58Å; P270-Q296 VanDerWaalsContact CA-O 3.25Å; P270-Q296 WeakPolarHBondContact CA-O 3.49Å; P270-Q296 HydrophobicContact CB-CB 3.93Å; P270-Q296 HydrophobicContact CG-CB 4.23Å; L271-Q296 PolarHBondContact N-O 2.91Å; G294-Q296 PolarHBondContact O-N 3.29Å
297	V	96	Very high	91.1	Very high	2 Å²	2	56 Å²	56	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.7	179.6	-58.6	0	0	0	0	112.4	F228 L261 L271 L286 R290 L295	F228-V297 HydrophobicContact CD1-CG2 4.26Å; F228-V297 WeakPolarHBondContact CD1-O 3.42Å; F228-V297 HydrophobicContact CE1-CG2 3.93Å; L261-V297 HydrophobicContact CD2-CG1 3.75Å; L271-V297 HydrophobicContact CB-CG1 4.28Å; L271-V297 VanDerWaalsContact O-CA 3.28Å; L271-V297 WeakPolarHBondContact O-CA 3.31Å; L286-V297 HydrophobicContact CB-CG2 4.4Å; L286-V297 HydrophobicContact CD2-CB 4.48Å; L286-V297 HydrophobicContact CD2-CG2 4.18Å; R290-V297 HydrophobicContact CB-CG2 4.28Å; L295-V297 HydrophobicContact CD2-CG1 3.65Å; L295-V297 HydrophobicContact CG-CG1 3.81Å; L295-V297 PolarHBondContact O-N 3.47Å
298	V	97.1	Very high	90.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.5	167.7	66.1	0	0	0	0	109.8	F228 C237 F239 L271 V272 I273 V300 V350	F228-V298 HydrophobicContact CB-CB 4.27Å; F228-V298 HydrophobicContact CB-CG2 3.9Å; F228-V298 HydrophobicContact CD2-CG2 4.21Å; F228-V298 HydrophobicContact CG-CB 4.44Å; F228-V298 HydrophobicContact CG-CG2 4.2Å; C237-V298 HydrophobicContact CB-CG2 4.33Å; F239-V298 HydrophobicContact CD2-CG1 4.07Å; F239-V298 HydrophobicContact CE2-CB 3.92Å; F239-V298 HydrophobicContact CE2-CG1 3.71Å; L271-V298 PolarHBondContact O-N 3.18Å; V272-V298 HydrophobicContact CB-CG1 4.18Å; V272-V298 HydrophobicContact CG1-CG1 3.99Å; V272-V298 HydrophobicContact CG2-CG1 3.85Å; I273-V298 PolarHBondContact N-O 2.96Å; V298-V300 HydrophobicContact CG2-CG2 4.28Å; V298-V350 HydrophobicContact CG1-CG2 4.11Å; V298-V350 HydrophobicContact CG2-CB 4.23Å; V298-V350 HydrophobicContact CG2-CG1 4.17Å; V298-V350 HydrophobicContact CG2-CG2 4.2Å
299	A	97.4	Very high	91	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.7	175.6	0	0	0	0	0	110.6	I224 F228 I273 V278 L286	I224-A299 HydrophobicContact CD1-CB 4.11Å; I224-A299 PolarHBondContact N-O 2.91Å; F228-A299 HydrophobicContact CE2-CB 3.92Å; F228-A299 HydrophobicContact CZ-CB 4.19Å; I273-A299 HydrophobicContact CB-CB 4.4Å; I273-A299 WeakPolarHBondContact O-CA 3.45Å; V278-A299 HydrophobicContact CB-CB 4.2Å; V278-A299 HydrophobicContact CG1-CB 4.37Å; V278-A299 HydrophobicContact CG2-CB 4.08Å; L286-A299 HydrophobicContact CD1-CB 4.29Å
300	V	96.9	Very high	91.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.2	-176	-174.5	0	0	0	0	108.6	F219 R221 G222 I273 I274 A275 V298 V350 A355	F219-V300 HydrophobicContact CE2-CG1 3.63Å; F219-V300 HydrophobicContact CZ-CG1 4.05Å; R221-V300 HydrophobicContact CB-CG1 3.75Å; R221-V300 WeakPolarHBondContact O-CG1 3.43Å; G222-V300 WeakPolarHBondContact O-CG1 3.2Å; I273-V300 PolarHBondContact O-N 3.37Å; I274-V300 WeakPolarHBondContact CA-O 3.18Å; A275-V300 PolarHBondContact N-O 3.26Å; V298-V300 HydrophobicContact CG2-CG2 4.28Å; V300-V350 HydrophobicContact CG2-CG1 3.75Å; V300-V350 HydrophobicContact CG2-CG2 4.16Å; V300-A355 HydrophobicContact CG1-CB 4.11Å
301	K	96.9	Very high	91.4	Very high	73 Å²	73	56 Å²	56	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	147.6	174	-59.3	-166.8	-173.3	-149.4	0	110.8	R221 I224 A275 D277	R221-K301 WeakPolarHBondContact CB-O 3.24Å; R221-K301 HydrophobicContact CG-CB 4.48Å; R221-K301 WeakPolarHBondContact CG-O 3.1Å; I224-K301 HydrophobicContact CD1-CG 3.96Å; I224-K301 HydrophobicContact CG1-CG 3.96Å; A275-K301 CarbonylContact O-C 3.55Å; A275-K301 WeakPolarHBondContact O-CA 3.14Å; D277-K301 WeakPolarHBondContact OD1-CE 3.41Å; D277-K301 IonicContact OD1-NZ 2.73Å; D277-K301 PolarHBondContact OD1-NZ 3Å; D277-K301 IonicContact OD2-NZ 2.74Å; D277-K301 PolarHBondContact OD2-NZ 2.95Å
302	A	95.1	Very high	91.5	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.033	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.3	140.8	175.7	0	0	0	0	0	110.9	I274 A275 R309 L313	I274-A302 HydrophobicContact CG2-CB 4.27Å; A275-A302 PolarHBondContact O-N 3.42Å; A302-R309 HydrophobicContact CB-CG 3.81Å; A302-L313 HydrophobicContact CB-CD1 4.01Å; A302-L313 HydrophobicContact CB-CD2 3.98Å; A302-L313 HydrophobicContact CB-CG 4.13Å
303	P	91.8	Very high	91.8	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.045	24%	0.241	C	C	.	.	S	Bend	trans	-77.3	157.4	177.1	33.4	-35.9	0	0	0	111.8	F219 R309 Q312 M316	F219-P303 HydrophobicContact CB-CB 3.78Å; F219-P303 HydrophobicContact CB-CG 4.11Å; F219-P303 HydrophobicContact CD2-CB 3.77Å; F219-P303 HydrophobicContact CD2-CG 3.89Å; F219-P303 HydrophobicContact CE2-CG 4.48Å; F219-P303 HydrophobicContact CG-CB 4.03Å; F219-P303 HydrophobicContact CG-CG 4.01Å; P303-R309 WeakPolarHBondContact O-CA 3.43Å; P303-R309 WeakPolarHBondContact O-CB 3.42Å; P303-R309 WeakPolarHBondContact O-CG 3.44Å; P303-Q312 VanDerWaalsContact CB-OE1 3.25Å; P303-Q312 HydrophobicContact CG-CB 4.3Å; P303-Q312 VanDerWaalsContact CG-OE1 3.31Å; P303-M316 HydrophobicContact CG-SD 4.11Å
304	G	87.6	Confident	92.2	Very high	28 Å²	28	41.7 Å²	41.7	29%	0.289	22%	0.223	S	C	.	.	S	Bend	trans	78.4	-176.6	-177.8	0	0	0	0	0	114.5
305	F	86.1	Confident	92.7	Very high	179 Å²	179	39.9 Å²	39.9	79%	0.785	20%	0.204	S	C	*	.	S	Bend	trans	-141.9	149.8	-179.8	-176.2	-96.9	0	0	0	109.8	D307 N308 R309	F305-D307 PolarHBondContact O-N 2.85Å; F305-N308 WeakPolarHBondContact O-CB 3.49Å; F305-N308 PolarHBondContact O-N 2.93Å; F305-R309 PolarHBondContact O-N 2.98Å
306	G	89.9	Confident	93	Very high	31 Å²	31	38.8 Å²	38.8	32%	0.32	20%	0.199	S	C	.	.	H	α-helix	trans	54.2	-134.3	-179.5	0	0	0	0	0	112.7	N308 R309 K310	G306-N308 VanDerWaalsContact C-N 3.28Å; G306-N308 PolarHBondContact O-N 2.85Å; G306-R309 WeakPolarHBondContact O-CB 3.35Å; G306-R309 PolarHBondContact O-N 3.2Å; G306-R309 VanDerWaalsContact O-N 3.12Å; G306-K310 PolarHBondContact O-N 3.14Å
307	D	88.1	Confident	93	Very high	118 Å²	118	34.2 Å²	34.2	63%	0.631	18%	0.177	S	C	*	.	H	α-helix	trans	-66.2	-27.8	-178.5	-62.4	-30.6	0	0	0	113.4	F305 R309 K310 N311	F305-D307 PolarHBondContact O-N 2.85Å; D307-R309 VanDerWaalsContact C-N 3.25Å; D307-R309 PolarHBondContact O-N 3.32Å; D307-K310 PolarHBondContact O-N 2.94Å; D307-N311 PolarHBondContact O-N 3.44Å; D307-N311 PolarHBondContact O-ND2 3.27Å
308	N	89	Confident	92.9	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.203	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-34.4	175.1	-173.9	35.8	0	0	0	111.1	F305 G306 Q312	F305-N308 WeakPolarHBondContact O-CB 3.49Å; F305-N308 PolarHBondContact O-N 2.93Å; G306-N308 VanDerWaalsContact C-N 3.28Å; G306-N308 PolarHBondContact O-N 2.85Å; N308-Q312 PolarHBondContact ND2-NE2 2.89Å; N308-Q312 WeakPolarHBondContact O-CB 3.19Å; N308-Q312 VanDerWaalsContact O-CG 3.31Å; N308-Q312 WeakPolarHBondContact O-CG 3.3Å; N308-Q312 PolarHBondContact O-N 3.1Å; N308-Q312 PolarHBondContact OD1-NE2 3.12Å
309	R	93.3	Very high	92.7	Very high	39 Å²	39	36 Å²	36	15%	0.147	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-46.1	174.5	-179	176.3	70.3	-168.9	7.7	111.6	E276 A302 P303 F305 G306 D307 N311 Q312 L313	E276-R309 VanDerWaalsContact CD-NH1 3.31Å; E276-R309 VanDerWaalsContact CG-NH1 3.3Å; E276-R309 IonicContact OE1-CZ 3.95Å; E276-R309 VanDerWaalsContact OE1-CZ 3.28Å; E276-R309 IonicContact OE1-NH1 3.68Å; E276-R309 PolarHBondContact OE1-NH1 3.48Å; E276-R309 IonicContact OE1-NH2 2.8Å; E276-R309 PolarHBondContact OE1-NH2 3.48Å; E276-R309 IonicContact OE2-NH2 2.72Å; A302-R309 HydrophobicContact CB-CG 3.81Å; P303-R309 WeakPolarHBondContact O-CA 3.43Å; P303-R309 WeakPolarHBondContact O-CB 3.42Å; P303-R309 WeakPolarHBondContact O-CG 3.44Å; F305-R309 PolarHBondContact O-N 2.98Å; G306-R309 WeakPolarHBondContact O-CB 3.35Å; G306-R309 PolarHBondContact O-N 3.2Å; G306-R309 VanDerWaalsContact O-N 3.12Å; D307-R309 VanDerWaalsContact C-N 3.25Å; D307-R309 PolarHBondContact O-N 3.32Å; R309-N311 VanDerWaalsContact C-N 3.32Å; R309-N311 PolarHBondContact O-N 3.01Å; R309-Q312 PolarHBondContact O-N 3.05Å; R309-L313 HydrophobicContact CG-CD1 4.26Å; R309-L313 WeakPolarHBondContact O-CG 3.27Å; R309-L313 PolarHBondContact O-N 3.23Å
310	K	93	Very high	92.5	Very high	60 Å²	60	36.2 Å²	36.2	26%	0.261	19%	0.19	S	C	.	.	H	α-helix	trans	-58.3	-47.6	177.9	-57.3	-168.8	-174.7	-140.4	0	110.7	E248 G306 D307 L313 K314 E328	E248-K310 HydrophobicContact CG-CG 4.32Å; E248-K310 VanDerWaalsContact OE1-CD 3.26Å; E248-K310 WeakPolarHBondContact OE1-CD 3.45Å; E248-K310 WeakPolarHBondContact OE1-CE 3.46Å; E248-K310 IonicContact OE1-NZ 3.94Å; E248-K310 PolarHBondContact OE1-NZ 3.45Å; G306-K310 PolarHBondContact O-N 3.14Å; D307-K310 PolarHBondContact O-N 2.94Å; K310-L313 PolarHBondContact O-N 3.28Å; K310-K314 PolarHBondContact O-N 2.82Å; K310-E328 IonicContact NZ-OE1 3.84Å; K310-E328 IonicContact NZ-OE2 3.48Å; K310-E328 PolarHBondContact NZ-OE2 2.8Å
311	N	93.1	Very high	92.3	Very high	56 Å²	56	38 Å²	38	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-64	-43.2	178.5	-78.4	-57.9	0	0	0	113.2	D307 R309 K314 D315 R370	D307-N311 PolarHBondContact O-N 3.44Å; D307-N311 PolarHBondContact O-ND2 3.27Å; R309-N311 VanDerWaalsContact C-N 3.32Å; R309-N311 PolarHBondContact O-N 3.01Å; N311-K314 WeakPolarHBondContact O-CB 3.07Å; N311-K314 PolarHBondContact O-N 3.47Å; N311-D315 PolarHBondContact O-N 2.96Å; N311-R370 PolarHBondContact OD1-NH2 2.71Å
312	Q	93.3	Very high	92.1	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-39.6	177	-75.5	-175.2	22.7	0	0	112.5	P303 N308 R309 K314 D315 M316 R393	P303-Q312 VanDerWaalsContact CB-OE1 3.25Å; P303-Q312 HydrophobicContact CG-CB 4.3Å; P303-Q312 VanDerWaalsContact CG-OE1 3.31Å; N308-Q312 PolarHBondContact ND2-NE2 2.89Å; N308-Q312 WeakPolarHBondContact O-CB 3.19Å; N308-Q312 VanDerWaalsContact O-CG 3.31Å; N308-Q312 WeakPolarHBondContact O-CG 3.3Å; N308-Q312 PolarHBondContact O-N 3.1Å; N308-Q312 PolarHBondContact OD1-NE2 3.12Å; R309-Q312 PolarHBondContact O-N 3.05Å; Q312-K314 VanDerWaalsContact C-N 3.27Å; Q312-K314 PolarHBondContact O-N 2.96Å; Q312-D315 WeakPolarHBondContact O-CB 3.39Å; Q312-D315 PolarHBondContact O-N 3.5Å; Q312-M316 VanDerWaalsContact O-CG 3.26Å; Q312-M316 WeakPolarHBondContact O-CG 2.77Å; Q312-M316 PolarHBondContact O-N 3.19Å; Q312-R393 HydrophobicContact CG-CG 3.99Å
313	L	94.3	Very high	92	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-39.3	173.3	-77.6	171.4	0	0	0	111.4	L246 I274 A302 R309 K310 M316 A317 V324	L246-L313 HydrophobicContact CD2-CD2 4.21Å; I274-L313 HydrophobicContact CG2-CD2 3.99Å; A302-L313 HydrophobicContact CB-CD1 4.01Å; A302-L313 HydrophobicContact CB-CD2 3.98Å; A302-L313 HydrophobicContact CB-CG 4.13Å; R309-L313 HydrophobicContact CG-CD1 4.26Å; R309-L313 WeakPolarHBondContact O-CG 3.27Å; R309-L313 PolarHBondContact O-N 3.23Å; K310-L313 PolarHBondContact O-N 3.28Å; L313-M316 PolarHBondContact O-N 2.88Å; L313-A317 WeakPolarHBondContact O-CB 3.44Å; L313-A317 PolarHBondContact O-N 2.64Å; L313-V324 HydrophobicContact CB-CG1 4.26Å; L313-V324 HydrophobicContact CB-CG2 4.2Å; L313-V324 WeakPolarHBondContact O-CG2 3.11Å
314	K	93.4	Very high	92.1	Very high	61 Å²	61	36.4 Å²	36.4	27%	0.265	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-43.2	174.7	-162.9	69.6	171.5	-152	0	112.2	K310 N311 Q312 M316 A317 I318 V324 E327	K310-K314 PolarHBondContact O-N 2.82Å; N311-K314 WeakPolarHBondContact O-CB 3.07Å; N311-K314 PolarHBondContact O-N 3.47Å; Q312-K314 VanDerWaalsContact C-N 3.27Å; Q312-K314 PolarHBondContact O-N 2.96Å; K314-M316 VanDerWaalsContact C-N 3.32Å; K314-M316 PolarHBondContact O-N 3.48Å; K314-A317 WeakPolarHBondContact O-CB 3.03Å; K314-A317 PolarHBondContact O-N 2.78Å; K314-I318 HydrophobicContact CG-CD1 4.21Å; K314-I318 WeakPolarHBondContact O-CG1 3.34Å; K314-I318 PolarHBondContact O-N 2.8Å; K314-V324 HydrophobicContact CD-CG2 4.32Å; K314-E327 IonicContact NZ-OE1 2.95Å; K314-E327 PolarHBondContact NZ-OE1 3.06Å; K314-E327 IonicContact NZ-OE2 2.65Å; K314-E327 PolarHBondContact NZ-OE2 3.32Å
315	D	93.8	Very high	92.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-44.2	177.1	-60.9	-17.4	0	0	0	110.6	M217 N311 Q312 A317 I318 A319 R370 R393 L397	M217-D315 HydrophobicContact CE-CB 4.46Å; N311-D315 PolarHBondContact O-N 2.96Å; Q312-D315 WeakPolarHBondContact O-CB 3.39Å; Q312-D315 PolarHBondContact O-N 3.5Å; D315-A317 PolarHBondContact O-N 3.15Å; D315-I318 PolarHBondContact O-N 2.91Å; D315-A319 VanDerWaalsContact O-CB 3.29Å; D315-A319 WeakPolarHBondContact O-CB 3.45Å; D315-A319 PolarHBondContact O-N 3.41Å; D315-R370 IonicContact OD1-CZ 2.81Å; D315-R370 IonicContact OD1-NE 3.64Å; D315-R370 PolarHBondContact OD1-NE 3.22Å; D315-R370 IonicContact OD1-NH2 2.89Å; D315-R370 PolarHBondContact OD1-NH2 2.95Å; D315-R393 IonicContact OD1-NH2 2.78Å; D315-R393 PolarHBondContact OD1-NH2 3.04Å; D315-R393 IonicContact OD2-CZ 3.6Å; D315-R393 VanDerWaalsContact OD2-CZ 3.28Å; D315-R393 IonicContact OD2-NE 3.71Å; D315-R393 PolarHBondContact OD2-NE 2.72Å; D315-R393 IonicContact OD2-NH2 3.11Å; D315-R393 PolarHBondContact OD2-NH2 2.9Å; D315-L397 HydrophobicContact CB-CD1 3.99Å; D315-L397 HydrophobicContact CB-CD2 4.05Å; D315-L397 HydrophobicContact CB-CG 4.2Å
316	M	93.4	Very high	92.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-38.2	175.3	-65.5	175	83.4	0	0	112.4	M217 F219 L246 I274 P303 Q312 L313 K314 A319 T320 L357	M217-M316 HydrophobicContact CE-CB 4.38Å; M217-M316 HydrophobicContact CE-CG 3.6Å; M217-M316 HydrophobicContact SD-CB 4.43Å; M217-M316 HydrophobicContact SD-CG 4.02Å; F219-M316 HydrophobicContact CD1-CE 3.91Å; F219-M316 HydrophobicContact CE1-CE 3.38Å; F219-M316 HydrophobicContact CZ-CE 3.89Å; L246-M316 HydrophobicContact CD1-CB 4.25Å; L246-M316 HydrophobicContact CD2-CB 4.4Å; I274-M316 HydrophobicContact CD1-CE 3.38Å; P303-M316 HydrophobicContact CG-SD 4.11Å; Q312-M316 VanDerWaalsContact O-CG 3.26Å; Q312-M316 WeakPolarHBondContact O-CG 2.77Å; Q312-M316 PolarHBondContact O-N 3.19Å; L313-M316 PolarHBondContact O-N 2.88Å; K314-M316 VanDerWaalsContact C-N 3.32Å; K314-M316 PolarHBondContact O-N 3.48Å; M316-A319 PolarHBondContact O-N 2.9Å; M316-T320 WeakPolarHBondContact O-CB 3.47Å; M316-T320 VanDerWaalsContact O-CG2 3.31Å; M316-T320 WeakPolarHBondContact O-CG2 3.46Å; M316-T320 PolarHBondContact O-N 3.28Å; M316-T320 PolarHBondContact O-OG1 3.36Å; M316-L357 HydrophobicContact CE-CD1 3.38Å; M316-L357 HydrophobicContact CE-CG 4.34Å
317	A	94.5	Very high	91.6	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-48.8	177	0	0	0	0	0	111.1	L246 L313 K314 D315 T320 G321 G322 V324	L246-A317 HydrophobicContact CD1-CB 3.48Å; L246-A317 VanDerWaalsContact CD1-CB 3.48Å; L313-A317 WeakPolarHBondContact O-CB 3.44Å; L313-A317 PolarHBondContact O-N 2.64Å; K314-A317 WeakPolarHBondContact O-CB 3.03Å; K314-A317 PolarHBondContact O-N 2.78Å; D315-A317 PolarHBondContact O-N 3.15Å; A317-T320 PolarHBondContact O-N 3.08Å; A317-T320 PolarHBondContact O-OG1 3.31Å; A317-G321 CarbonylContact O-C 3.56Å; A317-G321 WeakPolarHBondContact O-CA 3.41Å; A317-G321 PolarHBondContact O-N 3.5Å; A317-G322 CarbonylContact C-O 3.59Å; A317-G322 WeakPolarHBondContact CB-O 3.38Å; A317-G322 PolarHBondContact O-N 3Å; A317-V324 HydrophobicContact CB-CG2 3.61Å
318	I	93.8	Very high	90.6	Very high	28 Å²	28	30.1 Å²	30.1	14%	0.144	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-45.1	178.1	-64.4	166.6	0	0	0	110.7	K314 D315 T320 G321 G362 Q366 I367 R370	K314-I318 HydrophobicContact CG-CD1 4.21Å; K314-I318 WeakPolarHBondContact O-CG1 3.34Å; K314-I318 PolarHBondContact O-N 2.8Å; D315-I318 PolarHBondContact O-N 2.91Å; I318-T320 VanDerWaalsContact C-N 3.31Å; I318-T320 PolarHBondContact O-N 2.94Å; I318-G321 PolarHBondContact O-N 2.82Å; I318-G362 WeakPolarHBondContact O-CA 3.37Å; I318-Q366 HydrophobicContact CG2-CB 3.9Å; I318-I367 HydrophobicContact CG2-CG1 3.94Å; I318-R370 HydrophobicContact CD1-CB 4.1Å; I318-R370 HydrophobicContact CD1-CG 3.9Å; I318-R370 HydrophobicContact CG2-CB 4.49Å
319	A	91.6	Very high	89.4	Confident	13 Å²	13	32.2 Å²	32.2	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-32.9	-179.8	0	0	0	0	0	113.5	M217 D315 M316 G360 G362 L397	M217-A319 HydrophobicContact CE-CB 4.45Å; M217-A319 HydrophobicContact SD-CB 3.49Å; M217-A319 WeakPolarHBondContact SD-CB 3.4Å; D315-A319 VanDerWaalsContact O-CB 3.29Å; D315-A319 WeakPolarHBondContact O-CB 3.45Å; D315-A319 PolarHBondContact O-N 3.41Å; M316-A319 PolarHBondContact O-N 2.9Å; A319-G360 CarbonylContact O-C 3.6Å; A319-G360 WeakPolarHBondContact O-CA 3.46Å; A319-G362 WeakPolarHBondContact O-CA 3.4Å; A319-G362 PolarHBondContact O-N 2.97Å; A319-L397 HydrophobicContact CB-CD2 3.97Å
320	T	94.1	Very high	88.3	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-96	-11.9	179.9	62.4	0	0	0	0	113.6	V244 M316 A317 I318 K344 V345 L357	V244-T320 HydrophobicContact CG2-CG2 4.47Å; M316-T320 WeakPolarHBondContact O-CB 3.47Å; M316-T320 VanDerWaalsContact O-CG2 3.31Å; M316-T320 WeakPolarHBondContact O-CG2 3.46Å; M316-T320 PolarHBondContact O-N 3.28Å; M316-T320 PolarHBondContact O-OG1 3.36Å; A317-T320 PolarHBondContact O-N 3.08Å; A317-T320 PolarHBondContact O-OG1 3.31Å; I318-T320 VanDerWaalsContact C-N 3.31Å; I318-T320 PolarHBondContact O-N 2.94Å; T320-K344 PolarHBondContact O-N 3.43Å; T320-V345 HydrophobicContact CG2-CG1 3.48Å; T320-V345 VanDerWaalsContact CG2-CG1 3.48Å; T320-L357 HydrophobicContact CG2-CD1 4.31Å
321	G	92.9	Very high	87.1	Confident	39 Å²	39	39.2 Å²	39.2	40%	0.402	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	31.9	-178.5	0	0	0	0	0	114.2	A317 I318	A317-G321 CarbonylContact O-C 3.56Å; A317-G321 WeakPolarHBondContact O-CA 3.41Å; A317-G321 PolarHBondContact O-N 3.5Å; I318-G321 PolarHBondContact O-N 2.82Å
322	G	92	Very high	86.7	Confident	20 Å²	20	39 Å²	39	21%	0.206	24%	0.241	C	C	.	.			trans	-116.3	-175.3	176.7	0	0	0	0	0	113.2	A317 D341	A317-G322 CarbonylContact C-O 3.59Å; A317-G322 WeakPolarHBondContact CB-O 3.38Å; A317-G322 PolarHBondContact O-N 3Å; G322-D341 CarbonylContact C-O 3.59Å; G322-D341 WeakPolarHBondContact CA-O 3.33Å
323	A	92.5	Very high	86.4	Confident	25 Å²	25	42.8 Å²	42.8	21%	0.207	26%	0.262	C	S	.	.			trans	-113.4	156	174.7	0	0	0	0	0	111.7	L332 D341	A323-L332 HydrophobicContact CB-CD1 3.88Å; A323-D341 PolarHBondContact N-O 2.73Å
324	V	93.8	Very high	86.1	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	172.6	-174.3	0	0	0	0	108.7	L246 E248 L313 K314 A317	L246-V324 HydrophobicContact CB-CG2 4.45Å; E248-V324 HydrophobicContact CB-CG1 4.15Å; L313-V324 HydrophobicContact CB-CG1 4.26Å; L313-V324 HydrophobicContact CB-CG2 4.2Å; L313-V324 WeakPolarHBondContact O-CG2 3.11Å; K314-V324 HydrophobicContact CD-CG2 4.32Å; A317-V324 HydrophobicContact CB-CG2 3.61Å
325	F	92.8	Very high	85.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	141.5	178	-68.4	-86.1	0	0	0	111.7	L245 L246 E248 L332 N333 L334 V337 D341	L245-F325 HydrophobicContact CD1-CD2 3.71Å; L245-F325 HydrophobicContact CD1-CE2 3.5Å; L245-F325 VanDerWaalsContact CD1-CE2 3.5Å; L245-F325 HydrophobicContact CD1-CZ 4.36Å; L246-F325 WeakPolarHBondContact O-CD2 3.42Å; L246-F325 PolarHBondContact O-N 2.94Å; E248-F325 PolarHBondContact N-O 3.47Å; F325-L332 HydrophobicContact CD1-CB 4.1Å; F325-L332 HydrophobicContact CE1-CB 4.44Å; F325-N333 WeakPolarHBondContact CD1-O 2.86Å; F325-N333 WeakPolarHBondContact CE1-O 3.3Å; F325-L334 HydrophobicContact CB-CD2 3.63Å; F325-L334 HydrophobicContact CB-CG 3.95Å; F325-L334 HydrophobicContact CD1-CD2 4.08Å; F325-L334 HydrophobicContact CD1-CG 4.46Å; F325-L334 HydrophobicContact CD2-CD2 3.87Å; F325-L334 HydrophobicContact CG-CD2 3.58Å; F325-L334 HydrophobicContact CG-CG 4.22Å; F325-V337 HydrophobicContact CE1-CB 4.14Å; F325-V337 HydrophobicContact CE1-CG2 4.42Å; F325-V337 HydrophobicContact CE2-CG2 4.32Å; F325-V337 HydrophobicContact CZ-CB 3.88Å; F325-V337 HydrophobicContact CZ-CG2 3.66Å; F325-D341 HydrophobicContact CE2-CB 4.3Å; F325-D341 HydrophobicContact CZ-CB 3.64Å
326	G	83.8	Confident	85.6	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	14	178.3	0	0	0	0	0	115.4	K249 L332	K249-G326 WeakPolarHBondContact CE-O 3.45Å; G326-L332 PolarHBondContact N-O 2.77Å
327	E	78.2	Confident	85.5	Confident	51 Å²	51	50.6 Å²	50.6	24%	0.238	30%	0.303	C	S	.	.			trans	-64.8	132.8	175	-173.2	174.3	169.1	0	0	111.2	E248 K314 G329 L330	E248-E327 WeakPolarHBondContact OE2-CA 3.46Å; K314-E327 IonicContact NZ-OE1 2.95Å; K314-E327 PolarHBondContact NZ-OE1 3.06Å; K314-E327 IonicContact NZ-OE2 2.65Å; K314-E327 PolarHBondContact NZ-OE2 3.32Å; E327-G329 PolarHBondContact O-N 2.73Å; E327-G329 VanDerWaalsContact O-N 3.09Å; E327-L330 HydrophobicContact CB-CB 4.41Å; E327-L330 HydrophobicContact CG-CD1 4.33Å; E327-L330 PolarHBondContact O-N 3.17Å; E327-L330 WeakPolarHBondContact OE2-CD1 3.15Å
328	E	66.1	Low	85.4	Confident	154 Å²	154	55 Å²	55	72%	0.72	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	110	178.2	-72.6	172.3	160.6	0	0	110.4	K310	K310-E328 IonicContact NZ-OE1 3.84Å; K310-E328 IonicContact NZ-OE2 3.48Å; K310-E328 PolarHBondContact NZ-OE2 2.8Å
329	G	64.8	Low	85.3	Confident	83 Å²	83	55.7 Å²	55.7	86%	0.856	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.4	-10.4	179.6	0	0	0	0	0	115.1	E327	E327-G329 PolarHBondContact O-N 2.73Å; E327-G329 VanDerWaalsContact O-N 3.09Å
330	L	69	Low	85.3	Confident	81 Å²	81	61.4 Å²	61.4	42%	0.424	35%	0.354	S	S	.	.			trans	-111.9	117.8	169.8	-77.2	162.3	0	0	0	109.3	E327 L332	E327-L330 HydrophobicContact CB-CB 4.41Å; E327-L330 HydrophobicContact CG-CD1 4.33Å; E327-L330 PolarHBondContact O-N 3.17Å; E327-L330 WeakPolarHBondContact OE2-CD1 3.15Å; L330-L332 PolarHBondContact O-N 3.07Å
331	N	69	Low	85.2	Confident	165 Å²	165	62.3 Å²	62.3	88%	0.882	36%	0.359	S	S	*	.			trans	-78	62.1	178	-75.1	-18.8	0	0	0	111.4
332	L	83.4	Confident	85.3	Confident	52 Å²	52	60.5 Å²	60.5	27%	0.272	34%	0.34	S	S	.	.			trans	-108.6	103.9	173.5	-72	170.9	0	0	0	109.6	A323 F325 G326 L330	A323-L332 HydrophobicContact CB-CD1 3.88Å; F325-L332 HydrophobicContact CD1-CB 4.1Å; F325-L332 HydrophobicContact CE1-CB 4.44Å; G326-L332 PolarHBondContact N-O 2.77Å; L330-L332 PolarHBondContact O-N 3.07Å
333	N	87.3	Confident	85.5	Confident	91 Å²	91	59.6 Å²	59.6	49%	0.487	33%	0.33	S	S	.	.			trans	-90	149.3	175.7	-67.4	-33.1	0	0	0	110.5	F325 E335 D336	F325-N333 WeakPolarHBondContact CD1-O 2.86Å; F325-N333 WeakPolarHBondContact CE1-O 3.3Å; N333-E335 WeakPolarHBondContact CB-OE2 3.4Å; N333-E335 PolarHBondContact O-N 3.11Å; N333-D336 PolarHBondContact O-N 3.44Å
334	L	88.1	Confident	85.7	Confident	21 Å²	21	62.3 Å²	62.3	11%	0.11	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-68.2	-28.1	-179.8	-77.9	168.5	0	0	0	111.9	L245 I251 S256 F325 D336 V337	L245-L334 HydrophobicContact CD1-CD2 3.98Å; L245-L334 HydrophobicContact CD2-CD2 4.2Å; L245-L334 HydrophobicContact CG-CD2 4.36Å; I251-L334 HydrophobicContact CD1-CD1 4.08Å; I251-L334 HydrophobicContact CG1-CD1 3.97Å; S256-L334 WeakPolarHBondContact O-CB 3.38Å; F325-L334 HydrophobicContact CB-CD2 3.63Å; F325-L334 HydrophobicContact CB-CG 3.95Å; F325-L334 HydrophobicContact CD1-CD2 4.08Å; F325-L334 HydrophobicContact CD1-CG 4.46Å; F325-L334 HydrophobicContact CD2-CD2 3.87Å; F325-L334 HydrophobicContact CG-CD2 3.58Å; F325-L334 HydrophobicContact CG-CG 4.22Å; L334-D336 PolarHBondContact O-N 3.39Å; L334-V337 WeakPolarHBondContact O-CG1 3.26Å
335	E	88.3	Confident	85.7	Confident	99 Å²	99	62.1 Å²	62.1	46%	0.463	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-67.1	-25.1	-179.6	-62.7	75.5	-162.8	0	0	112.8	S256 N333	S256-E335 WeakPolarHBondContact CB-OE1 3.4Å; N333-E335 WeakPolarHBondContact CB-OE2 3.4Å; N333-E335 PolarHBondContact O-N 3.11Å
336	D	88.4	Confident	85.3	Confident	107 Å²	107	62.7 Å²	62.7	57%	0.572	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-103.7	11.1	-173.8	-59.9	-50	0	0	0	113.4	N333 L334 Q338	N333-D336 PolarHBondContact O-N 3.44Å; L334-D336 PolarHBondContact O-N 3.39Å; D336-Q338 PolarHBondContact O-N 3Å; D336-Q338 PolarHBondContact O-NE2 2.94Å; D336-Q338 VanDerWaalsContact O-NE2 3.1Å
337	V	92.3	Very high	85.5	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.03	35%	0.348	C	S	.	.			trans	-51.9	134.6	-175.4	57.3	0	0	0	0	113	P259 A260 I263 F325 L334 D341 L342	P259-V337 HydrophobicContact CB-CG1 3.73Å; A260-V337 HydrophobicContact CB-CG1 4.17Å; I263-V337 HydrophobicContact CD1-CG1 4.02Å; I263-V337 HydrophobicContact CD1-CG2 4.32Å; I263-V337 VanDerWaalsContact CD1-O 3.29Å; I263-V337 WeakPolarHBondContact CD1-O 3.44Å; F325-V337 HydrophobicContact CE1-CB 4.14Å; F325-V337 HydrophobicContact CE1-CG2 4.42Å; F325-V337 HydrophobicContact CE2-CG2 4.32Å; F325-V337 HydrophobicContact CZ-CB 3.88Å; F325-V337 HydrophobicContact CZ-CG2 3.66Å; L334-V337 WeakPolarHBondContact O-CG1 3.26Å; V337-D341 HydrophobicContact CG2-CB 4.48Å; V337-L342 HydrophobicContact CG2-CD2 4.16Å; V337-L342 HydrophobicContact CG2-CG 4.12Å
338	Q	92.4	Very high	86.2	Confident	94 Å²	94	62.3 Å²	62.3	44%	0.439	34%	0.336	S	S	.	.			trans	-111.7	159.7	172.4	-57.5	-59.7	-52.4	0	0	111.6	D336 H340 D341	D336-Q338 PolarHBondContact O-N 3Å; D336-Q338 PolarHBondContact O-NE2 2.94Å; D336-Q338 VanDerWaalsContact O-NE2 3.1Å; Q338-H340 WeakPolarHBondContact CB-CE1 3.19Å; Q338-H340 PolarHBondContact O-N 3.42Å; Q338-D341 WeakPolarHBondContact CA-OD2 3.35Å; Q338-D341 VanDerWaalsContact CB-OD2 3.29Å; Q338-D341 WeakPolarHBondContact CB-OD2 3.16Å; Q338-D341 PolarHBondContact N-OD2 3.25Å; Q338-D341 WeakPolarHBondContact O-CB 3.49Å; Q338-D341 PolarHBondContact O-N 2.59Å
339	P	90.8	Very high	87.3	Confident	42 Å²	42	57 Å²	57	27%	0.273	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.6	179.2	-24.6	33.4	0	0	0	115.2	I263	I263-P339 HydrophobicContact CD1-CG 4.45Å; I263-P339 HydrophobicContact CG2-CB 4.15Å; I263-P339 HydrophobicContact CG2-CG 3.93Å
340	H	91.3	Very high	88.6	Confident	133 Å²	133	53.1 Å²	53.1	62%	0.616	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-15.1	176.8	58.1	-95.8	0	0	0	113.5	Q338 L342	Q338-H340 WeakPolarHBondContact CB-CE1 3.19Å; Q338-H340 PolarHBondContact O-N 3.42Å; H340-L342 VanDerWaalsContact C-N 3.35Å
341	D	92.8	Very high	89.6	Confident	23 Å²	23	51.3 Å²	51.3	12%	0.123	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.4	176	-55.9	-43.2	0	0	0	111.9	G322 A323 F325 V337 Q338	G322-D341 CarbonylContact C-O 3.59Å; G322-D341 WeakPolarHBondContact CA-O 3.33Å; A323-D341 PolarHBondContact N-O 2.73Å; F325-D341 HydrophobicContact CE2-CB 4.3Å; F325-D341 HydrophobicContact CZ-CB 3.64Å; V337-D341 HydrophobicContact CG2-CB 4.48Å; Q338-D341 WeakPolarHBondContact CA-OD2 3.35Å; Q338-D341 VanDerWaalsContact CB-OD2 3.29Å; Q338-D341 WeakPolarHBondContact CB-OD2 3.16Å; Q338-D341 PolarHBondContact N-OD2 3.25Å; Q338-D341 WeakPolarHBondContact O-CB 3.49Å; Q338-D341 PolarHBondContact O-N 2.59Å
342	L	95	Very high	90.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.251	C	S	.	.	S	Bend	trans	-79.1	129.2	176.3	-65.5	171.4	0	0	0	111	Y243 L245 I263 L271 V337 H340	Y243-L342 HydrophobicContact CD1-CB 3.85Å; Y243-L342 HydrophobicContact CD1-CD1 4.34Å; Y243-L342 HydrophobicContact CD2-CD1 4.36Å; Y243-L342 HydrophobicContact CG-CB 4.25Å; Y243-L342 HydrophobicContact CG-CD1 4.09Å; L245-L342 HydrophobicContact CB-CD2 3.89Å; L245-L342 HydrophobicContact CD1-CD2 3.59Å; L245-L342 HydrophobicContact CG-CD2 4.37Å; I263-L342 HydrophobicContact CG2-CD1 3.84Å; L271-L342 HydrophobicContact CD1-CD2 4.31Å; V337-L342 HydrophobicContact CG2-CD2 4.16Å; V337-L342 HydrophobicContact CG2-CG 4.12Å; H340-L342 VanDerWaalsContact C-N 3.35Å
343	G	96	Very high	90.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	154.8	170.8	0	0	0	0	0	111.4	Y243 V244	Y243-G343 CarbonylContact C-O 3.57Å; Y243-G343 VanDerWaalsContact CA-O 3.27Å; Y243-G343 WeakPolarHBondContact CA-O 3.49Å; V244-G343 PolarHBondContact N-O 3.02Å; V244-G343 PolarHBondContact O-N 2.75Å
344	K	95.7	Very high	90.5	Very high	82 Å²	82	50.4 Å²	50.4	36%	0.357	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133	-179.4	-69.6	167.1	-174.5	160.5	0	110.2	Y243 T320 K361	Y243-K344 HydrophobicContact CD1-CG 3.86Å; Y243-K344 HydrophobicContact CE1-CD 4.27Å; Y243-K344 HydrophobicContact CE1-CG 3.76Å; T320-K344 PolarHBondContact O-N 3.43Å; K344-K361 HydrophobicContact CB-CB 4.05Å; K344-K361 HydrophobicContact CB-CD 4.24Å; K344-K361 HydrophobicContact CB-CG 4.34Å; K344-K361 PolarHBondContact O-N 2.65Å
345	V	93.6	Very high	90.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.7	-179	-69.4	0	0	0	0	110.2	D241 A242 V244 T320 V348 L357	D241-V345 CarbonylContact C-O 3.59Å; D241-V345 VanDerWaalsContact CA-O 3.28Å; D241-V345 WeakPolarHBondContact CA-O 3.41Å; A242-V345 HydrophobicContact CB-CG2 3.95Å; A242-V345 PolarHBondContact N-O 2.75Å; A242-V345 VanDerWaalsContact N-O 3.08Å; A242-V345 WeakPolarHBondContact O-CG2 3.28Å; A242-V345 PolarHBondContact O-N 3.38Å; A242-V345 VanDerWaalsContact O-N 3.08Å; V244-V345 HydrophobicContact CG2-CB 4.35Å; V244-V345 HydrophobicContact CG2-CG1 3.74Å; V244-V345 HydrophobicContact CG2-CG2 3.64Å; T320-V345 HydrophobicContact CG2-CG1 3.48Å; T320-V345 VanDerWaalsContact CG2-CG1 3.48Å; V345-V348 HydrophobicContact CB-CG2 4.17Å; V345-V348 HydrophobicContact CG2-CG2 3.28Å; V345-L357 HydrophobicContact CG1-CB 4.22Å
346	G	86.1	Confident	90.6	Very high	15 Å²	15	46.6 Å²	46.6	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-37.1	179	0	0	0	0	0	112.6	Q240 D241 L358 K359	Q240-G346 CarbonylContact C-O 3.1Å; Q240-G346 WeakPolarHBondContact CA-O 3.39Å; D241-G346 PolarHBondContact N-O 2.94Å; G346-L358 PolarHBondContact N-O 3.49Å; G346-K359 PolarHBondContact N-O 2.93Å
347	E	87.3	Confident	90.7	Very high	59 Å²	59	41.8 Å²	41.8	28%	0.276	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.8	-179.7	179.3	173.4	-167.4	0	0	110.9	F239 I349 L358	F239-E347 CarbonylContact O-C 3.43Å; F239-E347 WeakPolarHBondContact O-CA 3.48Å; E347-I349 HydrophobicContact CG-CG1 4.49Å; E347-L358 HydrophobicContact CB-CB 3.99Å; E347-L358 HydrophobicContact CB-CD1 4.13Å; E347-L358 HydrophobicContact CG-CD1 3.87Å; E347-L358 PolarHBondContact N-O 3.37Å; E347-L358 WeakPolarHBondContact O-CB 3.42Å; E347-L358 PolarHBondContact O-N 3.07Å
348	V	91.6	Very high	90.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133	178.2	177.8	0	0	0	0	109.7	E238 F239 A242 V272 V345 V350 M356 L357	E238-V348 CarbonylContact C-O 3.45Å; E238-V348 VanDerWaalsContact CA-O 3.32Å; E238-V348 WeakPolarHBondContact CA-O 3.5Å; F239-V348 HydrophobicContact CB-CB 4.45Å; F239-V348 PolarHBondContact N-O 3.46Å; F239-V348 PolarHBondContact O-N 2.94Å; A242-V348 HydrophobicContact CB-CG2 4.34Å; V272-V348 HydrophobicContact CG2-CB 4.23Å; V272-V348 HydrophobicContact CG2-CG1 3.91Å; V272-V348 HydrophobicContact CG2-CG2 4.02Å; V345-V348 HydrophobicContact CB-CG2 4.17Å; V345-V348 HydrophobicContact CG2-CG2 3.28Å; V348-V350 HydrophobicContact CG1-CG2 3.78Å; V348-M356 WeakPolarHBondContact CA-O 3.38Å; V348-L357 HydrophobicContact CB-CD2 4.31Å; V348-L357 HydrophobicContact CG1-CD2 3.82Å; V348-L357 HydrophobicContact CG2-CD2 3.63Å
349	I	89.4	Confident	90	Very high	43 Å²	43	45.2 Å²	45.2	22%	0.221	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.6	175.2	-53.6	176	0	0	0	107.8	K236 C237 E238 E347 A355 M356 L358	K236-I349 HydrophobicContact CD-CG2 4.43Å; C237-I349 WeakPolarHBondContact O-CA 3.42Å; E238-I349 HydrophobicContact CG-CG1 4.38Å; E238-I349 HydrophobicContact CG-CG2 4.4Å; E347-I349 HydrophobicContact CG-CG1 4.49Å; I349-A355 CarbonylContact O-C 3.57Å; I349-A355 WeakPolarHBondContact O-CA 3.37Å; I349-M356 PolarHBondContact N-O 2.76Å; I349-M356 PolarHBondContact O-N 2.63Å; I349-L358 HydrophobicContact CD1-CD1 4.19Å; I349-L358 HydrophobicContact CG1-CD1 4.39Å
350	V	92.8	Very high	89.8	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.6	177.2	-172.6	0	0	0	0	109.5	Y223 K236 C237 V298 V300 V348 A355	Y223-V350 HydrophobicContact CD1-CG1 4.13Å; Y223-V350 HydrophobicContact CG-CG1 4.5Å; K236-V350 CarbonylContact C-O 3.58Å; K236-V350 VanDerWaalsContact CA-O 3.26Å; K236-V350 WeakPolarHBondContact CA-O 3.38Å; C237-V350 HydrophobicContact CB-CB 4.28Å; C237-V350 PolarHBondContact N-O 2.94Å; C237-V350 PolarHBondContact O-N 2.97Å; V298-V350 HydrophobicContact CG1-CG2 4.11Å; V298-V350 HydrophobicContact CG2-CB 4.23Å; V298-V350 HydrophobicContact CG2-CG1 4.17Å; V298-V350 HydrophobicContact CG2-CG2 4.2Å; V300-V350 HydrophobicContact CG2-CG1 3.75Å; V300-V350 HydrophobicContact CG2-CG2 4.16Å; V348-V350 HydrophobicContact CG1-CG2 3.78Å; V350-A355 HydrophobicContact CG1-CB 4.23Å; V350-A355 HydrophobicContact CG2-CB 4.14Å
351	T	90.3	Very high	89.7	Confident	44 Å²	44	44.2 Å²	44.2	27%	0.27	23%	0.225	S	C	.	.			trans	-110	-172	175.2	68.4	0	0	0	0	109.8	G222 Y223 K236 D353 D354	G222-T351 CarbonylContact C-O 3.6Å; G222-T351 WeakPolarHBondContact CA-O 3.44Å; Y223-T351 VanDerWaalsContact CD1-C 3.46Å; Y223-T351 WeakPolarHBondContact CD1-O 3.3Å; Y223-T351 WeakPolarHBondContact CE1-O 3.34Å; Y223-T351 PolarHBondContact N-O 2.88Å; K236-T351 HydrophobicContact CB-CG2 4.3Å; T351-D353 VanDerWaalsContact C-N 3.29Å; T351-D353 PolarHBondContact OG1-N 3.3Å; T351-D354 PolarHBondContact N-O 3.39Å; T351-D354 PolarHBondContact OG1-N 3.46Å; T351-D354 PolarHBondContact OG1-O 3.15Å
352	K	87.3	Confident	89.6	Confident	138 Å²	138	43.8 Å²	43.8	60%	0.6	23%	0.226	S	C	*	.	S	Bend	trans	-64	-36.2	174.4	-174.9	-175.4	172.6	-170.6	0	112.5	G222 Y223	G222-K352 WeakPolarHBondContact CA-O 3.47Å; Y223-K352 HydrophobicContact CE2-CB 4.46Å
353	D	83.2	Confident	89.5	Confident	105 Å²	105	47.8 Å²	47.8	56%	0.561	25%	0.247	S	C	*	.	S	Bend	trans	-110.3	-33.4	-169.3	-56.3	-49.7	0	0	0	111.9	D220 R221 G222 T351	D220-D353 CarbonylContact C-O 3.56Å; R221-D353 CarbonylContact C-O 3.48Å; R221-D353 VanDerWaalsContact C-O 3.27Å; R221-D353 WeakPolarHBondContact CA-O 3.13Å; R221-D353 PolarHBondContact N-O 3.37Å; G222-D353 PolarHBondContact N-O 2.84Å; T351-D353 VanDerWaalsContact C-N 3.29Å; T351-D353 PolarHBondContact OG1-N 3.3Å
354	D	87.2	Confident	89.1	Confident	46 Å²	46	56.3 Å²	56.3	25%	0.246	28%	0.284	C	S	.	.			trans	-124.4	151.2	-173.4	-58.9	-27.1	0	0	0	113	K218 F219 R221 T351	K218-D354 VanDerWaalsContact CE-CG 3.45Å; K218-D354 WeakPolarHBondContact CE-OD2 3.47Å; K218-D354 IonicContact NZ-OD2 3.28Å; K218-D354 PolarHBondContact NZ-OD2 3.09Å; F219-D354 WeakPolarHBondContact O-CA 3.27Å; R221-D354 CarbonylContact O-C 3.47Å; T351-D354 PolarHBondContact N-O 3.39Å; T351-D354 PolarHBondContact OG1-N 3.46Å; T351-D354 PolarHBondContact OG1-O 3.15Å
355	A	91.4	Very high	88.9	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143	165.5	0	0	0	0	0	110.8	K218 F219 R221 V300 I349 V350	K218-A355 WeakPolarHBondContact CA-O 3.21Å; F219-A355 HydrophobicContact CD1-CB 4.37Å; F219-A355 HydrophobicContact CD2-CB 4.36Å; F219-A355 HydrophobicContact CE1-CB 3.73Å; F219-A355 HydrophobicContact CE2-CB 3.78Å; F219-A355 HydrophobicContact CZ-CB 3.42Å; F219-A355 VanDerWaalsContact CZ-CB 3.42Å; F219-A355 PolarHBondContact N-O 3.33Å; F219-A355 PolarHBondContact O-N 3.4Å; R221-A355 WeakPolarHBondContact O-CB 3.34Å; R221-A355 PolarHBondContact O-N 3.38Å; R221-A355 VanDerWaalsContact O-N 3.13Å; V300-A355 HydrophobicContact CG1-CB 4.11Å; I349-A355 CarbonylContact O-C 3.57Å; I349-A355 WeakPolarHBondContact O-CA 3.37Å; V350-A355 HydrophobicContact CG1-CB 4.23Å; V350-A355 HydrophobicContact CG2-CB 4.14Å
356	M	88.4	Confident	88.8	Confident	39 Å²	39	60.6 Å²	60.6	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.7	-178.2	-171.7	-179.8	-67.8	0	0	110	I214 M217 K218 V348 I349 L358	I214-M356 HydrophobicContact CG2-CE 4.16Å; M217-M356 WeakPolarHBondContact O-CA 3.39Å; K218-M356 HydrophobicContact CB-CE 4.29Å; K218-M356 HydrophobicContact CD-CE 3.98Å; K218-M356 HydrophobicContact CG-CE 4.16Å; V348-M356 WeakPolarHBondContact CA-O 3.38Å; I349-M356 PolarHBondContact N-O 2.76Å; I349-M356 PolarHBondContact O-N 2.63Å; M356-L358 HydrophobicContact CG-CD1 4.2Å; M356-L358 HydrophobicContact CG-CG 4.07Å; M356-L358 HydrophobicContact SD-CD1 3.99Å; M356-L358 HydrophobicContact SD-CD2 4.19Å; M356-L358 HydrophobicContact SD-CG 4.14Å
357	L	90.3	Very high	89	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.2	174	-54.6	-177.4	0	0	0	109.4	G216 M217 F219 I274 M316 T320 V345 V348	G216-L357 CarbonylContact C-O 3.45Å; G216-L357 WeakPolarHBondContact CA-O 3.48Å; M217-L357 HydrophobicContact CB-CB 4.37Å; M217-L357 PolarHBondContact N-O 3.27Å; M217-L357 PolarHBondContact O-N 3.24Å; F219-L357 HydrophobicContact CE1-CG 4.35Å; I274-L357 HydrophobicContact CD1-CD1 4.1Å; M316-L357 HydrophobicContact CE-CD1 3.38Å; M316-L357 HydrophobicContact CE-CG 4.34Å; T320-L357 HydrophobicContact CG2-CD1 4.31Å; V345-L357 HydrophobicContact CG1-CB 4.22Å; V348-L357 HydrophobicContact CB-CD2 4.31Å; V348-L357 HydrophobicContact CG1-CD2 3.82Å; V348-L357 HydrophobicContact CG2-CD2 3.63Å
358	L	85.7	Confident	89	Confident	20 Å²	20	63.2 Å²	63.2	11%	0.105	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.1	-175.9	-69.2	141.5	0	0	0	110.4	E215 G346 E347 I349 M356 G360	E215-L358 HydrophobicContact CB-CD2 4.14Å; E215-L358 WeakPolarHBondContact O-CD2 3.23Å; G346-L358 PolarHBondContact N-O 3.49Å; E347-L358 HydrophobicContact CB-CB 3.99Å; E347-L358 HydrophobicContact CB-CD1 4.13Å; E347-L358 HydrophobicContact CG-CD1 3.87Å; E347-L358 PolarHBondContact N-O 3.37Å; E347-L358 WeakPolarHBondContact O-CB 3.42Å; E347-L358 PolarHBondContact O-N 3.07Å; I349-L358 HydrophobicContact CD1-CD1 4.19Å; I349-L358 HydrophobicContact CG1-CD1 4.39Å; M356-L358 HydrophobicContact CG-CD1 4.2Å; M356-L358 HydrophobicContact CG-CG 4.07Å; M356-L358 HydrophobicContact SD-CD1 3.99Å; M356-L358 HydrophobicContact SD-CD2 4.19Å; M356-L358 HydrophobicContact SD-CG 4.14Å; L358-G360 PolarHBondContact O-N 2.88Å
359	K	83.3	Confident	89.1	Confident	151 Å²	151	70.9 Å²	70.9	66%	0.657	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.6	54.7	174.3	-59.5	169.9	-177.5	165.1	0	112.4	G346	G346-K359 PolarHBondContact N-O 2.93Å
360	G	87.9	Confident	89.3	Confident	39 Å²	39	69.6 Å²	69.6	40%	0.402	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	139.4	171.2	0	0	0	0	0	111.3	A319 L358 G362	A319-G360 CarbonylContact O-C 3.6Å; A319-G360 WeakPolarHBondContact O-CA 3.46Å; L358-G360 PolarHBondContact O-N 2.88Å; G360-G362 VanDerWaalsContact C-N 3.33Å
361	K	89.4	Confident	89.1	Confident	115 Å²	115	70.3 Å²	70.3	50%	0.5	36%	0.355	S	S	.	.			trans	-98.4	30.9	-178.8	-58.8	-174.3	-175.7	170.2	0	112.3	D241 K344	D241-K361 IonicContact OD1-NZ 3.56Å; D241-K361 PolarHBondContact OD1-NZ 2.82Å; K344-K361 HydrophobicContact CB-CB 4.05Å; K344-K361 HydrophobicContact CB-CD 4.24Å; K344-K361 HydrophobicContact CB-CG 4.34Å; K344-K361 PolarHBondContact O-N 2.65Å
362	G	89.6	Confident	89.2	Confident	14 Å²	14	72.2 Å²	72.2	14%	0.144	36%	0.361	C	S	.	.			trans	-65.6	159.2	173.7	0	0	0	0	0	113.2	I318 A319 G360 K364	I318-G362 WeakPolarHBondContact O-CA 3.37Å; A319-G362 WeakPolarHBondContact O-CA 3.4Å; A319-G362 PolarHBondContact O-N 2.97Å; G360-G362 VanDerWaalsContact C-N 3.33Å; G362-K364 PolarHBondContact O-N 3.08Å
363	D	92.1	Very high	89.4	Confident	85 Å²	85	69.3 Å²	69.3	46%	0.455	35%	0.349	S	S	.	.			trans	-70.9	117.5	174.8	-180	5	0	0	0	109.9	A365 Q366 I367	D363-A365 PolarHBondContact O-N 3.1Å; D363-A365 PolarHBondContact OD1-N 3.36Å; D363-Q366 HydrophobicContact CB-CB 4.26Å; D363-Q366 HydrophobicContact CB-CG 4.08Å; D363-Q366 PolarHBondContact O-N 3.12Å; D363-I367 WeakPolarHBondContact O-CG1 3.17Å; D363-I367 PolarHBondContact O-N 3.34Å
364	K	87.6	Confident	89.8	Confident	179 Å²	179	64.3 Å²	64.3	78%	0.778	32%	0.323	S	S	*	.	H	α-helix	trans	-55.5	-34.7	-179.9	-67.1	-170.5	175.4	-166.9	0	112.6	G362 Q366 I367 E368	G362-K364 PolarHBondContact O-N 3.08Å; K364-Q366 VanDerWaalsContact C-N 3.34Å; K364-I367 PolarHBondContact O-N 2.81Å; K364-E368 WeakPolarHBondContact O-CB 3.27Å; K364-E368 PolarHBondContact O-N 3.41Å
365	A	92.1	Very high	89.8	Confident	68 Å²	68	64.8 Å²	64.8	56%	0.562	33%	0.325	S	S	*	.	H	α-helix	trans	-67.8	-36.2	178.6	0	0	0	0	0	112	D363 K369	D363-A365 PolarHBondContact O-N 3.1Å; D363-A365 PolarHBondContact OD1-N 3.36Å; A365-K369 WeakPolarHBondContact O-CB 3.27Å; A365-K369 PolarHBondContact O-N 3.39Å; A365-K369 VanDerWaalsContact O-N 3.09Å
366	Q	92.2	Very high	89.8	Confident	105 Å²	105	70.7 Å²	70.7	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-74.8	-36.7	176.2	-65.5	-172.6	-3.9	0	0	112.1	I318 D363 K364 K369 R370	I318-Q366 HydrophobicContact CG2-CB 3.9Å; D363-Q366 HydrophobicContact CB-CB 4.26Å; D363-Q366 HydrophobicContact CB-CG 4.08Å; D363-Q366 PolarHBondContact O-N 3.12Å; K364-Q366 VanDerWaalsContact C-N 3.34Å; Q366-K369 PolarHBondContact O-N 2.7Å; Q366-R370 WeakPolarHBondContact O-CB 3.43Å; Q366-R370 PolarHBondContact O-N 2.82Å
367	I	89.9	Confident	89.8	Confident	30 Å²	30	72 Å²	72	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-48.9	174.4	-63.4	166.4	0	0	0	109.9	I318 D363 K364 K369 R370 I371	I318-I367 HydrophobicContact CG2-CG1 3.94Å; D363-I367 WeakPolarHBondContact O-CG1 3.17Å; D363-I367 PolarHBondContact O-N 3.34Å; K364-I367 PolarHBondContact O-N 2.81Å; I367-K369 VanDerWaalsContact C-N 3.34Å; I367-K369 PolarHBondContact O-N 3.21Å; I367-R370 WeakPolarHBondContact O-CB 3.1Å; I367-R370 PolarHBondContact O-N 2.86Å; I367-R370 VanDerWaalsContact O-N 3.11Å; I367-I371 HydrophobicContact CG2-CD1 3.92Å; I367-I371 WeakPolarHBondContact O-CG1 3.42Å; I367-I371 PolarHBondContact O-N 2.91Å
368	E	88.3	Confident	89.6	Confident	100 Å²	100	73.5 Å²	73.5	47%	0.467	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-43.1	177.8	-171.5	61.1	-151.2	0	0	111.5	K364 R370 I371 Q372	K364-E368 WeakPolarHBondContact O-CB 3.27Å; K364-E368 PolarHBondContact O-N 3.41Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.44Å; E368-I371 WeakPolarHBondContact O-CB 3.11Å; E368-I371 PolarHBondContact O-N 3.07Å; E368-Q372 WeakPolarHBondContact O-CG 3.17Å; E368-Q372 PolarHBondContact O-N 2.85Å; E368-Q372 PolarHBondContact OE1-NE2 2.89Å
369	K	93.8	Very high	89.5	Confident	161 Å²	161	78.8 Å²	78.8	70%	0.7	39%	0.394	S	S	*	.	H	α-helix	trans	-58.4	-41.1	174.7	-175.5	-178.2	177.3	-175	0	111.9	A365 Q366 I367 Q372 E373	A365-K369 WeakPolarHBondContact O-CB 3.27Å; A365-K369 PolarHBondContact O-N 3.39Å; A365-K369 VanDerWaalsContact O-N 3.09Å; Q366-K369 PolarHBondContact O-N 2.7Å; I367-K369 VanDerWaalsContact C-N 3.34Å; I367-K369 PolarHBondContact O-N 3.21Å; K369-Q372 PolarHBondContact O-N 3.4Å; K369-E373 PolarHBondContact O-N 2.97Å; K369-E373 VanDerWaalsContact O-N 3.11Å
370	R	92.8	Very high	89.8	Confident	16 Å²	16	78.2 Å²	78.2	6%	0.06	40%	0.397	C	S	.	.	H	α-helix	trans	-68.9	-37.8	178.3	-174.7	56.4	170.4	178.5	-0.6	112.1	N311 D315 I318 Q366 I367 E368 E373 I374 L397	N311-R370 PolarHBondContact OD1-NH2 2.71Å; D315-R370 IonicContact OD1-CZ 2.81Å; D315-R370 IonicContact OD1-NE 3.64Å; D315-R370 PolarHBondContact OD1-NE 3.22Å; D315-R370 IonicContact OD1-NH2 2.89Å; D315-R370 PolarHBondContact OD1-NH2 2.95Å; I318-R370 HydrophobicContact CD1-CB 4.1Å; I318-R370 HydrophobicContact CD1-CG 3.9Å; I318-R370 HydrophobicContact CG2-CB 4.49Å; Q366-R370 WeakPolarHBondContact O-CB 3.43Å; Q366-R370 PolarHBondContact O-N 2.82Å; I367-R370 WeakPolarHBondContact O-CB 3.1Å; I367-R370 PolarHBondContact O-N 2.86Å; I367-R370 VanDerWaalsContact O-N 3.11Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.44Å; R370-E373 WeakPolarHBondContact CD-OE2 3.36Å; R370-E373 IonicContact CZ-OE2 3.78Å; R370-E373 IonicContact NH1-OE1 2.71Å; R370-E373 PolarHBondContact NH1-OE1 3.36Å; R370-E373 IonicContact NH1-OE2 2.86Å; R370-E373 PolarHBondContact NH1-OE2 2.9Å; R370-E373 PolarHBondContact O-N 3.34Å; R370-I374 HydrophobicContact CG-CD1 4.36Å; R370-I374 WeakPolarHBondContact O-CG1 3.24Å; R370-I374 PolarHBondContact O-N 3.28Å; R370-I374 VanDerWaalsContact O-N 3.14Å; R370-L397 HydrophobicContact CG-CD1 3.9Å
371	I	89.4	Confident	89.8	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.082	38%	0.383	C	S	.	.	H	α-helix	trans	-59.2	-48.8	173.6	-75.7	168.6	0	0	0	110.3	I367 E368 E373 I374 I375 L394 L397	I367-I371 HydrophobicContact CG2-CD1 3.92Å; I367-I371 WeakPolarHBondContact O-CG1 3.42Å; I367-I371 PolarHBondContact O-N 2.91Å; E368-I371 WeakPolarHBondContact O-CB 3.11Å; E368-I371 PolarHBondContact O-N 3.07Å; I371-E373 VanDerWaalsContact C-N 3.35Å; I371-E373 PolarHBondContact O-N 2.87Å; I371-I374 PolarHBondContact O-N 2.9Å; I371-I375 HydrophobicContact CG2-CD1 3.8Å; I371-I375 WeakPolarHBondContact O-CG1 3.44Å; I371-I375 PolarHBondContact O-N 3.41Å; I371-L394 HydrophobicContact CB-CD1 4.28Å; I371-L394 HydrophobicContact CG1-CD1 4.3Å; I371-L394 HydrophobicContact CG2-CD1 3.66Å; I371-L397 HydrophobicContact CD1-CB 4.34Å; I371-L397 HydrophobicContact CG1-CB 3.98Å
372	Q	90.8	Very high	89.4	Confident	83 Å²	83	78.1 Å²	78.1	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-41.3	178.4	-64.1	-57.6	-32.6	0	0	112.3	E368 K369 I374 I375 E376	E368-Q372 WeakPolarHBondContact O-CG 3.17Å; E368-Q372 PolarHBondContact O-N 2.85Å; E368-Q372 PolarHBondContact OE1-NE2 2.89Å; K369-Q372 PolarHBondContact O-N 3.4Å; Q372-I374 VanDerWaalsContact C-N 3.3Å; Q372-I374 PolarHBondContact O-N 2.85Å; Q372-I375 PolarHBondContact O-N 3.17Å; Q372-E376 WeakPolarHBondContact O-CG 3.35Å; Q372-E376 PolarHBondContact O-N 3.41Å
373	E	92.3	Very high	89.1	Confident	77 Å²	77	79.7 Å²	79.7	36%	0.36	41%	0.407	S	S	.	.	H	α-helix	trans	-59.1	-39.7	175.5	-169.7	-169.2	165.7	0	0	112.3	K369 R370 I371 Q377	K369-E373 PolarHBondContact O-N 2.97Å; K369-E373 VanDerWaalsContact O-N 3.11Å; R370-E373 WeakPolarHBondContact CD-OE2 3.36Å; R370-E373 IonicContact CZ-OE2 3.78Å; R370-E373 IonicContact NH1-OE1 2.71Å; R370-E373 PolarHBondContact NH1-OE1 3.36Å; R370-E373 IonicContact NH1-OE2 2.86Å; R370-E373 PolarHBondContact NH1-OE2 2.9Å; R370-E373 PolarHBondContact O-N 3.34Å; I371-E373 VanDerWaalsContact C-N 3.35Å; I371-E373 PolarHBondContact O-N 2.87Å; E373-Q377 VanDerWaalsContact O-CG 3.28Å; E373-Q377 WeakPolarHBondContact O-CG 3.26Å; E373-Q377 PolarHBondContact O-N 3.01Å; E373-Q377 VanDerWaalsContact O-N 3.09Å
374	I	91.4	Very high	88.2	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-70.1	-38.7	177.7	-66.8	167.2	0	0	0	111	R370 I371 Q372 Q377 L378 L390 R393 L394 L397	R370-I374 HydrophobicContact CG-CD1 4.36Å; R370-I374 WeakPolarHBondContact O-CG1 3.24Å; R370-I374 PolarHBondContact O-N 3.28Å; R370-I374 VanDerWaalsContact O-N 3.14Å; I371-I374 PolarHBondContact O-N 2.9Å; Q372-I374 VanDerWaalsContact C-N 3.3Å; Q372-I374 PolarHBondContact O-N 2.85Å; I374-Q377 PolarHBondContact O-N 2.89Å; I374-L378 WeakPolarHBondContact O-CB 3.37Å; I374-L378 PolarHBondContact O-N 3.42Å; I374-L390 HydrophobicContact CG2-CB 4.19Å; I374-L390 HydrophobicContact CG2-CD2 4.12Å; I374-R393 HydrophobicContact CD1-CB 4.31Å; I374-L394 HydrophobicContact CG2-CB 4.04Å; I374-L397 HydrophobicContact CD1-CD1 3.59Å
375	I	86.8	Confident	87.7	Confident	57 Å²	57	81.6 Å²	81.6	29%	0.292	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-46.9	176.4	-66.9	166	0	0	0	110.1	I371 Q372 Q377 L378 D379 L394	I371-I375 HydrophobicContact CG2-CD1 3.8Å; I371-I375 WeakPolarHBondContact O-CG1 3.44Å; I371-I375 PolarHBondContact O-N 3.41Å; Q372-I375 PolarHBondContact O-N 3.17Å; I375-Q377 VanDerWaalsContact C-N 3.31Å; I375-Q377 PolarHBondContact O-N 3.44Å; I375-L378 WeakPolarHBondContact O-CB 3.11Å; I375-L378 PolarHBondContact O-N 3.04Å; I375-D379 PolarHBondContact O-N 3.5Å; I375-D379 VanDerWaalsContact O-N 3.11Å; I375-L394 HydrophobicContact CD1-CD1 4.35Å; I375-L394 HydrophobicContact CG1-CD1 4.06Å; I375-L394 HydrophobicContact CG1-CD2 4.07Å
376	E	91.6	Very high	87.3	Confident	124 Å²	124	83.2 Å²	83.2	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-60.8	-38.7	176.4	-70.7	175.3	-175.5	0	0	112.2	Q372 L378 D379 I380	Q372-E376 WeakPolarHBondContact O-CG 3.35Å; Q372-E376 PolarHBondContact O-N 3.41Å; E376-L378 VanDerWaalsContact C-N 3.3Å; E376-L378 PolarHBondContact O-N 3.18Å; E376-D379 PolarHBondContact O-N 3.33Å; E376-I380 WeakPolarHBondContact O-CG1 3.31Å; E376-I380 PolarHBondContact O-N 3.37Å
377	Q	89.4	Confident	86.8	Confident	68 Å²	68	82.2 Å²	82.2	32%	0.318	40%	0.4	S	S	.	.	H	α-helix	trans	-64.5	-35.5	173.7	-74.3	172.6	7.2	0	0	112.4	E373 I374 I375 I380 T381 L390	E373-Q377 VanDerWaalsContact O-CG 3.28Å; E373-Q377 WeakPolarHBondContact O-CG 3.26Å; E373-Q377 PolarHBondContact O-N 3.01Å; E373-Q377 VanDerWaalsContact O-N 3.09Å; I374-Q377 PolarHBondContact O-N 2.89Å; I375-Q377 VanDerWaalsContact C-N 3.31Å; I375-Q377 PolarHBondContact O-N 3.44Å; Q377-I380 PolarHBondContact O-N 3.09Å; Q377-T381 PolarHBondContact O-N 2.89Å; Q377-L390 HydrophobicContact CB-CD1 4.06Å; Q377-L390 HydrophobicContact CB-CD2 4.31Å
378	L	85.3	Confident	86.1	Confident	35 Å²	35	86.1 Å²	86.1	18%	0.183	42%	0.418	C	S	.	.	H	α-helix	trans	-69.1	-35.4	-178.9	-162.4	141.9	0	0	0	112.2	I374 I375 E376 I380 L390 N391	I374-L378 WeakPolarHBondContact O-CB 3.37Å; I374-L378 PolarHBondContact O-N 3.42Å; I375-L378 WeakPolarHBondContact O-CB 3.11Å; I375-L378 PolarHBondContact O-N 3.04Å; E376-L378 VanDerWaalsContact C-N 3.3Å; E376-L378 PolarHBondContact O-N 3.18Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-L390 HydrophobicContact CB-CD1 4.43Å; L378-L390 HydrophobicContact CD1-CB 3.98Å; L378-N391 HydrophobicContact CD1-CB 4.44Å; L378-N391 VanDerWaalsContact CD1-OD1 3.25Å; L378-N391 WeakPolarHBondContact CD1-OD1 3.44Å
379	D	83.3	Confident	85.9	Confident	131 Å²	131	83.2 Å²	83.2	70%	0.701	40%	0.404	S	S	*	.	H	α-helix	trans	-68.6	-31.5	176.4	-72.1	-16.8	0	0	0	112.6	I375 E376	I375-D379 PolarHBondContact O-N 3.5Å; I375-D379 VanDerWaalsContact O-N 3.11Å; E376-D379 PolarHBondContact O-N 3.33Å
380	I	90.1	Very high	85.6	Confident	139 Å²	139	76.3 Å²	76.3	71%	0.713	37%	0.374	S	S	*	.	H	α-helix	trans	-86.9	-34.1	-177.1	-62.1	167.4	0	0	0	111.7	E376 Q377 L378	E376-I380 WeakPolarHBondContact O-CG1 3.31Å; E376-I380 PolarHBondContact O-N 3.37Å; Q377-I380 PolarHBondContact O-N 3.09Å; L378-I380 VanDerWaalsContact C-N 3.33Å
381	T	87.6	Confident	85	Confident	18 Å²	18	78.9 Å²	78.9	11%	0.11	39%	0.389	C	S	.	.			trans	-71.8	139.1	-174.1	-160.3	0	0	0	0	112	Q377 E386 K387 L390	Q377-T381 PolarHBondContact O-N 2.89Å; T381-E386 HydrophobicContact CG2-CB 4.13Å; T381-E386 PolarHBondContact OG1-OE2 2.89Å; T381-K387 HydrophobicContact CG2-CB 4.42Å; T381-K387 HydrophobicContact CG2-CD 4.48Å; T381-K387 HydrophobicContact CG2-CG 3.41Å; T381-K387 VanDerWaalsContact CG2-CG 3.41Å; T381-K387 WeakPolarHBondContact O-CE 3.03Å; T381-L390 HydrophobicContact CG2-CD1 4.03Å
382	T	81.1	Confident	84.5	Confident	135 Å²	135	80.9 Å²	80.9	83%	0.828	40%	0.399	S	S	*	.			trans	-103.1	-9.2	177.3	54.7	0	0	0	0	112.7
383	S	83.8	Confident	84.3	Confident	46 Å²	46	77.4 Å²	77.4	32%	0.322	38%	0.382	S	S	.	.			trans	-84.4	118.9	-178.5	175.3	0	0	0	0	111.1	Y385 E386 K387	S383-Y385 PolarHBondContact O-N 3.12Å; S383-E386 PolarHBondContact O-N 3.34Å; S383-E386 VanDerWaalsContact O-N 3.09Å; S383-E386 PolarHBondContact OG-N 3.42Å; S383-K387 WeakPolarHBondContact O-CG 3.25Å; S383-K387 PolarHBondContact O-N 3.11Å
384	E	72.1	Confident	83.9	Confident	152 Å²	152	74.8 Å²	74.8	71%	0.71	37%	0.37	S	S	*	.	H	α-helix	trans	-55.6	-39.9	175.8	-72.3	-173.2	160.2	0	0	112.2	E386 K387 E388	E384-E386 PolarHBondContact O-N 2.89Å; E384-K387 PolarHBondContact O-N 3.23Å; E384-E388 WeakPolarHBondContact O-CB 3.31Å; E384-E388 PolarHBondContact O-N 2.8Å
385	Y	78.7	Confident	83.2	Confident	152 Å²	152	75 Å²	75	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-61.6	-42.4	177	175.8	-98.2	0	0	0	111.9	S383 K389	S383-Y385 PolarHBondContact O-N 3.12Å; Y385-K389 HydrophobicContact CE1-CG 4.31Å; Y385-K389 HydrophobicContact CE2-CG 4.41Å; Y385-K389 VanDerWaalsContact O-CG 3.3Å; Y385-K389 WeakPolarHBondContact O-CG 3.47Å; Y385-K389 PolarHBondContact O-N 2.91Å; Y385-K389 VanDerWaalsContact O-N 3.17Å
386	E	83.4	Confident	82.8	Confident	102 Å²	102	73.8 Å²	73.8	48%	0.477	36%	0.364	S	S	.	.	H	α-helix	trans	-70.5	-40.8	176.9	-69.3	-174.2	180	0	0	111.9	T381 S383 E384 E388 K389 L390	T381-E386 HydrophobicContact CG2-CB 4.13Å; T381-E386 PolarHBondContact OG1-OE2 2.89Å; S383-E386 PolarHBondContact O-N 3.34Å; S383-E386 VanDerWaalsContact O-N 3.09Å; S383-E386 PolarHBondContact OG-N 3.42Å; E384-E386 PolarHBondContact O-N 2.89Å; E386-E388 VanDerWaalsContact C-N 3.3Å; E386-E388 PolarHBondContact O-N 2.93Å; E386-K389 PolarHBondContact O-N 3.42Å; E386-K389 VanDerWaalsContact O-N 3.16Å; E386-L390 WeakPolarHBondContact O-CB 3.47Å; E386-L390 WeakPolarHBondContact O-CG 3.01Å; E386-L390 PolarHBondContact O-N 2.81Å
387	K	80.2	Confident	82.3	Confident	84 Å²	84	68.6 Å²	68.6	37%	0.365	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-45	174.3	-70.5	-172.2	179.6	-178.8	0	111.4	T381 S383 E384 K389 L390 N391	T381-K387 HydrophobicContact CG2-CB 4.42Å; T381-K387 HydrophobicContact CG2-CD 4.48Å; T381-K387 HydrophobicContact CG2-CG 3.41Å; T381-K387 VanDerWaalsContact CG2-CG 3.41Å; T381-K387 WeakPolarHBondContact O-CE 3.03Å; S383-K387 WeakPolarHBondContact O-CG 3.25Å; S383-K387 PolarHBondContact O-N 3.11Å; E384-K387 PolarHBondContact O-N 3.23Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 3Å; K387-L390 PolarHBondContact O-N 2.81Å; K387-N391 VanDerWaalsContact O-CB 3.31Å; K387-N391 WeakPolarHBondContact O-CB 3.44Å; K387-N391 PolarHBondContact O-N 2.85Å; K387-N391 PolarHBondContact O-ND2 2.87Å
388	E	76.5	Confident	81.5	Confident	112 Å²	112	66.9 Å²	66.9	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-45.9	177	-166.7	-155.7	122.5	0	0	110.9	E384 E386 N391 E392	E384-E388 WeakPolarHBondContact O-CB 3.31Å; E384-E388 PolarHBondContact O-N 2.8Å; E386-E388 VanDerWaalsContact C-N 3.3Å; E386-E388 PolarHBondContact O-N 2.93Å; E388-N391 PolarHBondContact O-N 3.29Å; E388-E392 WeakPolarHBondContact O-CB 3.47Å; E388-E392 PolarHBondContact O-N 2.96Å
389	K	84.4	Confident	80.4	Confident	39 Å²	39	73 Å²	73	17%	0.17	37%	0.369	C	S	.	.	H	α-helix	trans	-71.4	-35.7	-178.8	-63.5	-66.8	155.4	-127.2	0	113.4	Y385 E386 K387 E392 R393	Y385-K389 HydrophobicContact CE1-CG 4.31Å; Y385-K389 HydrophobicContact CE2-CG 4.41Å; Y385-K389 VanDerWaalsContact O-CG 3.3Å; Y385-K389 WeakPolarHBondContact O-CG 3.47Å; Y385-K389 PolarHBondContact O-N 2.91Å; Y385-K389 VanDerWaalsContact O-N 3.17Å; E386-K389 PolarHBondContact O-N 3.42Å; E386-K389 VanDerWaalsContact O-N 3.16Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 3Å; K389-E392 IonicContact NZ-OE2 2.7Å; K389-E392 PolarHBondContact NZ-OE2 2.95Å; K389-E392 PolarHBondContact O-N 3.42Å; K389-R393 VanDerWaalsContact O-CG 3.32Å; K389-R393 WeakPolarHBondContact O-CG 2.86Å; K389-R393 PolarHBondContact O-N 3.4Å; K389-R393 VanDerWaalsContact O-N 3.09Å
390	L	87.4	Confident	79.6	Confident	16 Å²	16	67 Å²	67	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-66.6	-43.5	173.1	-71.1	169.7	0	0	0	111	I374 Q377 L378 T381 E386 K387 E392 R393 L394	I374-L390 HydrophobicContact CG2-CB 4.19Å; I374-L390 HydrophobicContact CG2-CD2 4.12Å; Q377-L390 HydrophobicContact CB-CD1 4.06Å; Q377-L390 HydrophobicContact CB-CD2 4.31Å; L378-L390 HydrophobicContact CB-CD1 4.43Å; L378-L390 HydrophobicContact CD1-CB 3.98Å; T381-L390 HydrophobicContact CG2-CD1 4.03Å; E386-L390 WeakPolarHBondContact O-CB 3.47Å; E386-L390 WeakPolarHBondContact O-CG 3.01Å; E386-L390 PolarHBondContact O-N 2.81Å; K387-L390 PolarHBondContact O-N 2.81Å; L390-E392 VanDerWaalsContact C-N 3.32Å; L390-E392 PolarHBondContact O-N 3.12Å; L390-R393 PolarHBondContact O-N 3.18Å; L390-L394 WeakPolarHBondContact O-CB 3.42Å; L390-L394 PolarHBondContact O-N 3.27Å
391	N	78.4	Confident	78.8	Confident	70 Å²	70	60.9 Å²	60.9	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-42.5	172.6	-83.9	-47.5	0	0	0	111.9	L378 K387 E388 R393 L394 A395	L378-N391 HydrophobicContact CD1-CB 4.44Å; L378-N391 VanDerWaalsContact CD1-OD1 3.25Å; L378-N391 WeakPolarHBondContact CD1-OD1 3.44Å; K387-N391 VanDerWaalsContact O-CB 3.31Å; K387-N391 WeakPolarHBondContact O-CB 3.44Å; K387-N391 PolarHBondContact O-N 2.85Å; K387-N391 PolarHBondContact O-ND2 2.87Å; E388-N391 PolarHBondContact O-N 3.29Å; N391-R393 VanDerWaalsContact C-N 3.31Å; N391-R393 PolarHBondContact O-N 3.41Å; N391-L394 PolarHBondContact O-N 2.96Å; N391-A395 VanDerWaalsContact O-CB 3.31Å; N391-A395 WeakPolarHBondContact O-CB 3.36Å; N391-A395 PolarHBondContact O-N 3.23Å
392	E	79.1	Confident	78.6	Confident	59 Å²	59	60 Å²	60	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-40.3	176.7	-166.1	-167.5	147.6	0	0	112	E388 K389 L390 A395 K396	E388-E392 WeakPolarHBondContact O-CB 3.47Å; E388-E392 PolarHBondContact O-N 2.96Å; K389-E392 IonicContact NZ-OE2 2.7Å; K389-E392 PolarHBondContact NZ-OE2 2.95Å; K389-E392 PolarHBondContact O-N 3.42Å; L390-E392 VanDerWaalsContact C-N 3.32Å; L390-E392 PolarHBondContact O-N 3.12Å; E392-A395 WeakPolarHBondContact O-CB 3.03Å; E392-K396 WeakPolarHBondContact O-CG 3Å; E392-K396 PolarHBondContact O-N 2.8Å; E392-K396 WeakPolarHBondContact OE1-CE 3.25Å; E392-K396 IonicContact OE1-NZ 3.81Å; E392-K396 PolarHBondContact OE1-NZ 2.96Å
393	R	87.2	Confident	78.6	Confident	9 Å²	9	54 Å²	54	3%	0.034	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-45.8	177.1	-70.8	170.2	60.4	-144.9	-12.4	111.9	Q312 D315 I374 K389 L390 N391 A395 K396 L397	Q312-R393 HydrophobicContact CG-CG 3.99Å; D315-R393 IonicContact OD1-NH2 2.78Å; D315-R393 PolarHBondContact OD1-NH2 3.04Å; D315-R393 IonicContact OD2-CZ 3.6Å; D315-R393 VanDerWaalsContact OD2-CZ 3.28Å; D315-R393 IonicContact OD2-NE 3.71Å; D315-R393 PolarHBondContact OD2-NE 2.72Å; D315-R393 IonicContact OD2-NH2 3.11Å; D315-R393 PolarHBondContact OD2-NH2 2.9Å; I374-R393 HydrophobicContact CD1-CB 4.31Å; K389-R393 VanDerWaalsContact O-CG 3.32Å; K389-R393 WeakPolarHBondContact O-CG 2.86Å; K389-R393 PolarHBondContact O-N 3.4Å; K389-R393 VanDerWaalsContact O-N 3.09Å; L390-R393 PolarHBondContact O-N 3.18Å; N391-R393 VanDerWaalsContact C-N 3.31Å; N391-R393 PolarHBondContact O-N 3.41Å; R393-A395 VanDerWaalsContact C-N 3.26Å; R393-A395 PolarHBondContact O-N 3.4Å; R393-K396 PolarHBondContact O-N 2.9Å; R393-L397 PolarHBondContact O-N 2.93Å; R393-L397 VanDerWaalsContact O-N 3.16Å
394	L	83.5	Confident	78.8	Confident	23 Å²	23	52 Å²	52	12%	0.12	25%	0.25	C	S	.	.	H	α-helix	trans	-56.8	-42.7	175.7	-179.3	63.7	0	0	0	111.2	I371 I374 I375 L390 N391 K396 L397 S398	I371-L394 HydrophobicContact CB-CD1 4.28Å; I371-L394 HydrophobicContact CG1-CD1 4.3Å; I371-L394 HydrophobicContact CG2-CD1 3.66Å; I374-L394 HydrophobicContact CG2-CB 4.04Å; I375-L394 HydrophobicContact CD1-CD1 4.35Å; I375-L394 HydrophobicContact CG1-CD1 4.06Å; I375-L394 HydrophobicContact CG1-CD2 4.07Å; L390-L394 WeakPolarHBondContact O-CB 3.42Å; L390-L394 PolarHBondContact O-N 3.27Å; N391-L394 PolarHBondContact O-N 2.96Å; L394-K396 PolarHBondContact O-N 3.11Å; L394-L397 PolarHBondContact O-N 3.06Å; L394-S398 WeakPolarHBondContact O-CB 3.49Å; L394-S398 PolarHBondContact O-N 2.98Å; L394-S398 PolarHBondContact O-OG 3.04Å
395	A	76.4	Confident	79.5	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-49.7	176.2	0	0	0	0	0	111.8	V198 N391 E392 R393 L397 S398 V401	V198-A395 HydrophobicContact CB-CB 3.49Å; V198-A395 VanDerWaalsContact CB-CB 3.49Å; V198-A395 HydrophobicContact CG1-CB 3.48Å; V198-A395 VanDerWaalsContact CG1-CB 3.48Å; V198-A395 HydrophobicContact CG2-CB 3.75Å; N391-A395 VanDerWaalsContact O-CB 3.31Å; N391-A395 WeakPolarHBondContact O-CB 3.36Å; N391-A395 PolarHBondContact O-N 3.23Å; E392-A395 WeakPolarHBondContact O-CB 3.03Å; R393-A395 VanDerWaalsContact C-N 3.26Å; R393-A395 PolarHBondContact O-N 3.4Å; A395-L397 VanDerWaalsContact C-N 3.27Å; A395-L397 PolarHBondContact O-N 3.21Å; A395-S398 PolarHBondContact O-N 3.09Å; A395-V401 HydrophobicContact CB-CG1 4.29Å; A395-V401 HydrophobicContact CB-CG2 3.56Å; A395-V401 WeakPolarHBondContact O-CG2 3.4Å
396	K	79.5	Confident	80	Confident	33 Å²	33	40.3 Å²	40.3	14%	0.143	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-25.7	-177	-68.6	172.8	-171.5	174.5	0	113	M217 K218 E392 R393 L394	M217-K396 HydrophobicContact CE-CB 4.23Å; M217-K396 WeakPolarHBondContact CG-O 3.42Å; K218-K396 VanDerWaalsContact O-CE 3.22Å; K218-K396 WeakPolarHBondContact O-CE 3.38Å; E392-K396 WeakPolarHBondContact O-CG 3Å; E392-K396 PolarHBondContact O-N 2.8Å; E392-K396 WeakPolarHBondContact OE1-CE 3.25Å; E392-K396 IonicContact OE1-NZ 3.81Å; E392-K396 PolarHBondContact OE1-NZ 2.96Å; R393-K396 PolarHBondContact O-N 2.9Å; L394-K396 PolarHBondContact O-N 3.11Å
397	L	81.2	Confident	80.4	Confident	15 Å²	15	35.5 Å²	35.5	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-86.5	-22.7	177.3	-75	173.9	0	0	0	113.6	M217 D315 A319 R370 I371 I374 R393 L394 A395	M217-L397 HydrophobicContact CE-CD2 4.18Å; D315-L397 HydrophobicContact CB-CD1 3.99Å; D315-L397 HydrophobicContact CB-CD2 4.05Å; D315-L397 HydrophobicContact CB-CG 4.2Å; A319-L397 HydrophobicContact CB-CD2 3.97Å; R370-L397 HydrophobicContact CG-CD1 3.9Å; I371-L397 HydrophobicContact CD1-CB 4.34Å; I371-L397 HydrophobicContact CG1-CB 3.98Å; I374-L397 HydrophobicContact CD1-CD1 3.59Å; R393-L397 PolarHBondContact O-N 2.93Å; R393-L397 VanDerWaalsContact O-N 3.16Å; L394-L397 PolarHBondContact O-N 3.06Å; A395-L397 VanDerWaalsContact C-N 3.27Å; A395-L397 PolarHBondContact O-N 3.21Å
398	S	71.9	Confident	80.9	Confident	32 Å²	32	32.2 Å²	32.2	22%	0.224	17%	0.168	C	C	.	.	S	Bend	trans	-82.2	167.4	-179.4	-57.6	0	0	0	0	111.7	L394 A395 G400	L394-S398 WeakPolarHBondContact O-CB 3.49Å; L394-S398 PolarHBondContact O-N 2.98Å; L394-S398 PolarHBondContact O-OG 3.04Å; A395-S398 PolarHBondContact O-N 3.09Å; S398-G400 PolarHBondContact O-N 3.49Å
399	D	63.3	Low	81.7	Confident	163 Å²	163	32.3 Å²	32.3	87%	0.872	18%	0.176	S	C	*	.	S	Bend	trans	-67.9	57.5	-175.8	-81.9	-30.4	0	0	0	114.4
400	G	66.7	Low	81.9	Confident	4 Å²	4	33.1 Å²	33.1	4%	0.041	19%	0.187	C	C	.	.			trans	103.3	144.8	174.8	0	0	0	0	0	114	I214 S398	I214-G400 WeakPolarHBondContact O-CA 3.47Å; S398-G400 PolarHBondContact O-N 3.49Å
401	V	72.7	Confident	81.9	Confident	12 Å²	12	38.5 Å²	38.5	7%	0.073	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129	175.6	-175	0	0	0	0	108.9	T200 I214 A395 V403	T200-V401 HydrophobicContact CG2-CG1 4.44Å; I214-V401 HydrophobicContact CB-CB 4.45Å; I214-V401 PolarHBondContact N-O 2.74Å; I214-V401 PolarHBondContact O-N 3.41Å; A395-V401 HydrophobicContact CB-CG1 4.29Å; A395-V401 HydrophobicContact CB-CG2 3.56Å; A395-V401 WeakPolarHBondContact O-CG2 3.4Å; V401-V403 HydrophobicContact CG1-CG2 4.36Å
402	A	83	Confident	82.4	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.3	169	0	0	0	0	0	108.8	A189 V193 V198 I199 T200 L211	A189-A402 HydrophobicContact CB-CB 3.91Å; V193-A402 HydrophobicContact CG1-CB 3.74Å; V193-A402 HydrophobicContact CG2-CB 4.32Å; V198-A402 PolarHBondContact O-N 2.65Å; I199-A402 CarbonylContact C-O 3.54Å; I199-A402 WeakPolarHBondContact CA-O 3.37Å; I199-A402 HydrophobicContact CB-CB 4.45Å; I199-A402 HydrophobicContact CG1-CB 4.12Å; I199-A402 HydrophobicContact CG2-CB 4.2Å; T200-A402 PolarHBondContact N-O 3.48Å; T200-A402 PolarHBondContact OG1-O 2.8Å; L211-A402 HydrophobicContact CD1-CB 3.83Å
403	V	81.6	Confident	82.9	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.5	172.2	-173.3	0	0	0	0	107.7	T200 K202 E212 I214 V401 K405	T200-V403 CarbonylContact O-C 3.6Å; T200-V403 WeakPolarHBondContact O-CA 3.38Å; K202-V403 HydrophobicContact CB-CG1 4.24Å; K202-V403 HydrophobicContact CD-CG1 3.86Å; K202-V403 HydrophobicContact CG-CG1 3.98Å; E212-V403 HydrophobicContact CB-CB 4.4Å; E212-V403 PolarHBondContact N-O 2.84Å; E212-V403 PolarHBondContact O-N 3.36Å; I214-V403 HydrophobicContact CD1-CG2 3.61Å; I214-V403 HydrophobicContact CG1-CG2 4.44Å; V401-V403 HydrophobicContact CG1-CG2 4.36Å; V403-K405 HydrophobicContact CG1-CG 4.31Å
404	L	87.3	Confident	83	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.4	172.8	-64.6	-177.5	0	0	0	108.5	I185 I186 A189 I199 T200 V201 K202 L211 V421	I185-L404 HydrophobicContact CG2-CD1 4.45Å; I185-L404 HydrophobicContact CG2-CD2 3.24Å; I185-L404 HydrophobicContact CG2-CG 4.43Å; I186-L404 HydrophobicContact CG1-CD1 3.99Å; A189-L404 HydrophobicContact CB-CD2 4.39Å; I199-L404 HydrophobicContact CG2-CD1 3.74Å; I199-L404 HydrophobicContact CG2-CG 3.89Å; T200-L404 PolarHBondContact O-N 3.11Å; V201-L404 CarbonylContact C-O 3.6Å; V201-L404 WeakPolarHBondContact CA-O 3.34Å; V201-L404 HydrophobicContact CG2-CB 4.48Å; K202-L404 PolarHBondContact N-O 3.44Å; L211-L404 HydrophobicContact CB-CD2 4.17Å; L211-L404 HydrophobicContact CD1-CD2 3.61Å; L211-L404 HydrophobicContact CG-CD2 4.42Å; L404-V421 HydrophobicContact CD1-CG1 3.99Å
405	K	86.4	Confident	83	Confident	57 Å²	57	40.5 Å²	40.5	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.2	173.5	-64	179.1	-170.7	164.5	0	108.5	K202 D209 E210 E212 V403	K202-K405 WeakPolarHBondContact O-CA 3.39Å; D209-K405 WeakPolarHBondContact CA-O 3.29Å; E210-K405 HydrophobicContact CB-CB 4.24Å; E210-K405 PolarHBondContact N-O 2.69Å; E210-K405 PolarHBondContact O-N 2.71Å; E212-K405 WeakPolarHBondContact OE2-CE 3.25Å; E212-K405 IonicContact OE2-NZ 2.96Å; E212-K405 PolarHBondContact OE2-NZ 3.22Å; V403-K405 HydrophobicContact CG1-CG 4.31Å
406	V	90.7	Very high	83.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.1	-177.2	-176.6	0	0	0	0	109.3	V201 K202 G204 K417 K418 V421	V201-V406 HydrophobicContact CG1-CG2 3.49Å; V201-V406 VanDerWaalsContact CG1-CG2 3.49Å; K202-V406 PolarHBondContact O-N 2.81Å; G204-V406 VanDerWaalsContact CA-O 3.24Å; G204-V406 WeakPolarHBondContact CA-O 3.42Å; G204-V406 PolarHBondContact N-O 3.39Å; V406-K417 HydrophobicContact CG1-CB 3.75Å; V406-K417 HydrophobicContact CG1-CD 3.67Å; V406-K417 HydrophobicContact CG1-CG 3.6Å; V406-K418 HydrophobicContact CG2-CB 4.39Å; V406-V421 HydrophobicContact CG2-CB 4.28Å; V406-V421 HydrophobicContact CG2-CG1 4.39Å; V406-V421 HydrophobicContact CG2-CG2 3.99Å
407	G	90.6	Very high	84.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.			trans	-85.1	165.3	178.6	0	0	0	0	0	112.8	T206 D209	T206-G407 WeakPolarHBondContact O-CA 3.38Å; D209-G407 PolarHBondContact OD1-N 2.79Å
408	G	91	Very high	84.7	Confident	16 Å²	16	43.2 Å²	43.2	17%	0.165	24%	0.239	C	C	.	.			trans	173	170.3	175.3	0	0	0	0	0	112.5	T206 L207	T206-G408 PolarHBondContact O-N 2.82Å; L207-G408 PolarHBondContact O-N 3.32Å
409	T	92.5	Very high	85.3	Confident	113 Å²	113	43.4 Å²	43.4	69%	0.693	24%	0.238	S	C	*	.	S	Bend	trans	-89.9	-21.5	-178.4	63.9	0	0	0	0	113.2	L207 E413	L207-T409 HydrophobicContact CD2-CG2 3.86Å; T409-E413 WeakPolarHBondContact CB-OE2 3.33Å; T409-E413 PolarHBondContact N-OE2 2.93Å; T409-E413 PolarHBondContact OG1-OE2 3.44Å
410	S	90.3	Very high	86.6	Confident	57 Å²	57	37.6 Å²	37.6	40%	0.399	20%	0.204	S	C	.	.	S	Bend	trans	-145.9	155	-177.8	67.6	0	0	0	0	111.5	V412 E413 V414	S410-V412 PolarHBondContact O-N 2.9Å; S410-E413 WeakPolarHBondContact O-CB 3.48Å; S410-E413 PolarHBondContact O-N 2.61Å; S410-E413 VanDerWaalsContact O-N 3.12Å; S410-E413 WeakPolarHBondContact OG-CB 3.26Å; S410-E413 PolarHBondContact OG-N 3.42Å; S410-V414 WeakPolarHBondContact O-CG2 3.43Å; S410-V414 PolarHBondContact O-N 2.9Å
411	D	85.9	Confident	87.8	Confident	128 Å²	128	37.7 Å²	37.7	68%	0.684	20%	0.203	S	C	*	.	H	α-helix	trans	-59.1	-35.2	-179	-59.8	-28.1	0	0	0	112.5	N415	D411-N415 VanDerWaalsContact O-CB 3.3Å; D411-N415 WeakPolarHBondContact O-CB 3.49Å; D411-N415 PolarHBondContact O-N 3.03Å; D411-N415 PolarHBondContact O-ND2 3.39Å
412	V	88.9	Confident	88.5	Confident	39 Å²	39	39.3 Å²	39.3	24%	0.236	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-41.7	178.8	179.5	0	0	0	0	111	V73 S410 E416	V73-V412 HydrophobicContact CB-CG1 3.91Å; V73-V412 HydrophobicContact CG2-CG1 3.64Å; S410-V412 PolarHBondContact O-N 2.9Å; V412-E416 PolarHBondContact O-N 2.92Å; V412-E416 VanDerWaalsContact O-N 3.09Å
413	E	89.9	Confident	88.7	Confident	86 Å²	86	40.5 Å²	40.5	40%	0.402	22%	0.22	S	C	.	.	H	α-helix	trans	-66.2	-46.4	176.1	-179	-175.9	-164.1	0	0	111.3	T409 S410 N415 E416 K417	T409-E413 WeakPolarHBondContact CB-OE2 3.33Å; T409-E413 PolarHBondContact N-OE2 2.93Å; T409-E413 PolarHBondContact OG1-OE2 3.44Å; S410-E413 WeakPolarHBondContact O-CB 3.48Å; S410-E413 PolarHBondContact O-N 2.61Å; S410-E413 VanDerWaalsContact O-N 3.12Å; S410-E413 WeakPolarHBondContact OG-CB 3.26Å; S410-E413 PolarHBondContact OG-N 3.42Å; E413-N415 VanDerWaalsContact C-N 3.3Å; E413-N415 PolarHBondContact O-N 3.04Å; E413-E416 PolarHBondContact O-N 3.47Å; E413-K417 VanDerWaalsContact O-CB 3.32Å; E413-K417 WeakPolarHBondContact O-CB 3.47Å; E413-K417 PolarHBondContact O-N 3.29Å
414	V	89.7	Confident	89.3	Confident	12 Å²	12	40.1 Å²	40.1	7%	0.073	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-42.7	178.2	174.5	0	0	0	0	110.6	D203 S410 K417 K418	D203-V414 HydrophobicContact CB-CG1 4.24Å; S410-V414 WeakPolarHBondContact O-CG2 3.43Å; S410-V414 PolarHBondContact O-N 2.9Å; V414-K417 PolarHBondContact O-N 3.33Å; V414-K418 WeakPolarHBondContact O-CB 3.32Å; V414-K418 PolarHBondContact O-N 2.68Å
415	N	84.5	Confident	89.3	Confident	67 Å²	67	40.2 Å²	40.2	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-44.4	178.6	-76.1	-44	0	0	0	112.6	D411 E413 K418 D419	D411-N415 VanDerWaalsContact O-CB 3.3Å; D411-N415 WeakPolarHBondContact O-CB 3.49Å; D411-N415 PolarHBondContact O-N 3.03Å; D411-N415 PolarHBondContact O-ND2 3.39Å; E413-N415 VanDerWaalsContact C-N 3.3Å; E413-N415 PolarHBondContact O-N 3.04Å; N415-K418 PolarHBondContact O-N 2.73Å; N415-D419 PolarHBondContact O-N 2.77Å
416	E	91.6	Very high	89.3	Confident	28 Å²	28	39.5 Å²	39.5	13%	0.131	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-46	175.8	-171.2	-78.9	164.1	0	0	111.4	V412 E413 K418 D419 R420	V412-E416 PolarHBondContact O-N 2.92Å; V412-E416 VanDerWaalsContact O-N 3.09Å; E413-E416 PolarHBondContact O-N 3.47Å; E416-K418 VanDerWaalsContact C-N 3.31Å; E416-K418 PolarHBondContact O-N 3.47Å; E416-D419 PolarHBondContact O-N 3.07Å; E416-R420 VanDerWaalsContact CD-NE 3.34Å; E416-R420 PolarHBondContact O-N 2.91Å; E416-R420 VanDerWaalsContact O-N 3.11Å; E416-R420 WeakPolarHBondContact OE1-CD 3.22Å; E416-R420 IonicContact OE1-NE 3.04Å; E416-R420 PolarHBondContact OE1-NE 3.4Å; E416-R420 IonicContact OE2-CZ 2.78Å; E416-R420 IonicContact OE2-NE 3.43Å; E416-R420 PolarHBondContact OE2-NE 2.87Å; E416-R420 IonicContact OE2-NH2 3.34Å; E416-R420 PolarHBondContact OE2-NH2 3.16Å
417	K	91.9	Very high	89.4	Confident	25 Å²	25	39.4 Å²	39.4	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-38.2	-179.8	-168.2	177	-177.2	-167	0	111	I182 D209 V406 E413 V414 R420 V421	I182-K417 HydrophobicContact CD1-CG 4.2Å; D209-K417 WeakPolarHBondContact OD1-CE 3.34Å; D209-K417 IonicContact OD1-NZ 3.68Å; D209-K417 PolarHBondContact OD1-NZ 3.09Å; D209-K417 WeakPolarHBondContact OD2-CE 3.46Å; D209-K417 IonicContact OD2-NZ 3.64Å; D209-K417 PolarHBondContact OD2-NZ 2.71Å; V406-K417 HydrophobicContact CG1-CB 3.75Å; V406-K417 HydrophobicContact CG1-CD 3.67Å; V406-K417 HydrophobicContact CG1-CG 3.6Å; E413-K417 VanDerWaalsContact O-CB 3.32Å; E413-K417 WeakPolarHBondContact O-CB 3.47Å; E413-K417 PolarHBondContact O-N 3.29Å; V414-K417 PolarHBondContact O-N 3.33Å; K417-R420 WeakPolarHBondContact O-CB 3.35Å; K417-R420 PolarHBondContact O-N 3.46Å; K417-V421 VanDerWaalsContact O-CG2 3.28Å; K417-V421 WeakPolarHBondContact O-CG2 3.1Å; K417-V421 PolarHBondContact O-N 2.93Å
418	K	87.3	Confident	89.5	Confident	55 Å²	55	39.5 Å²	39.5	24%	0.239	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-41.9	175.2	175.6	178.4	178.3	-176.3	0	112.6	V201 D203 V406 V414 N415 E416 R420 V421 T422	V201-K418 HydrophobicContact CG1-CG 3.91Å; D203-K418 WeakPolarHBondContact OD1-CD 3.43Å; D203-K418 WeakPolarHBondContact OD1-CE 3.31Å; D203-K418 IonicContact OD1-NZ 3.78Å; D203-K418 PolarHBondContact OD1-NZ 3.04Å; D203-K418 IonicContact OD2-NZ 2.64Å; V406-K418 HydrophobicContact CG2-CB 4.39Å; V414-K418 WeakPolarHBondContact O-CB 3.32Å; V414-K418 PolarHBondContact O-N 2.68Å; N415-K418 PolarHBondContact O-N 2.73Å; E416-K418 VanDerWaalsContact C-N 3.31Å; E416-K418 PolarHBondContact O-N 3.47Å; K418-R420 VanDerWaalsContact C-N 3.32Å; K418-R420 PolarHBondContact O-N 2.93Å; K418-V421 PolarHBondContact O-N 3.29Å; K418-T422 WeakPolarHBondContact O-CB 3.32Å; K418-T422 PolarHBondContact O-N 3.19Å; K418-T422 PolarHBondContact O-OG1 3.3Å
419	D	86.1	Confident	89.3	Confident	35 Å²	35	42.6 Å²	42.6	19%	0.187	22%	0.223	C	C	.	.	H	α-helix	trans	-56.7	-49.8	173.2	-71	-12.7	0	0	0	108.7	K72 N415 E416 V421 T422 D423	K72-D419 WeakPolarHBondContact CE-OD2 3.38Å; K72-D419 IonicContact NZ-OD1 2.88Å; K72-D419 IonicContact NZ-OD2 2.73Å; K72-D419 PolarHBondContact NZ-OD2 2.93Å; N415-D419 PolarHBondContact O-N 2.77Å; E416-D419 PolarHBondContact O-N 3.07Å; D419-V421 PolarHBondContact O-N 3.46Å; D419-T422 WeakPolarHBondContact O-CB 3.18Å; D419-T422 PolarHBondContact O-N 3.37Å; D419-T422 VanDerWaalsContact O-N 3.08Å; D419-D423 PolarHBondContact O-N 2.88Å
420	R	90.4	Very high	89.2	Confident	42 Å²	42	37.3 Å²	37.3	16%	0.158	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-41	176.4	-71.9	-166.4	-72.9	129.8	0.5	114.6	A176 D179 E416 K417 K418 T422 A424	A176-R420 PolarHBondContact O-NH1 3.35Å; D179-R420 IonicContact OD2-NH1 2.67Å; D179-R420 PolarHBondContact OD2-NH1 3.28Å; E416-R420 VanDerWaalsContact CD-NE 3.34Å; E416-R420 PolarHBondContact O-N 2.91Å; E416-R420 VanDerWaalsContact O-N 3.11Å; E416-R420 WeakPolarHBondContact OE1-CD 3.22Å; E416-R420 IonicContact OE1-NE 3.04Å; E416-R420 PolarHBondContact OE1-NE 3.4Å; E416-R420 IonicContact OE2-CZ 2.78Å; E416-R420 IonicContact OE2-NE 3.43Å; E416-R420 PolarHBondContact OE2-NE 2.87Å; E416-R420 IonicContact OE2-NH2 3.34Å; E416-R420 PolarHBondContact OE2-NH2 3.16Å; K417-R420 WeakPolarHBondContact O-CB 3.35Å; K417-R420 PolarHBondContact O-N 3.46Å; K418-R420 VanDerWaalsContact C-N 3.32Å; K418-R420 PolarHBondContact O-N 2.93Å; R420-T422 VanDerWaalsContact C-N 3.28Å; R420-A424 WeakPolarHBondContact O-CB 3.34Å; R420-A424 PolarHBondContact O-N 2.81Å
421	V	92.3	Very high	89.4	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-65.4	-36.5	176.9	173.8	0	0	0	0	110.6	I182 V201 L404 V406 K417 K418 D419 L425	I182-V421 HydrophobicContact CD1-CG2 3.68Å; I182-V421 HydrophobicContact CG1-CG2 3.87Å; I182-V421 HydrophobicContact CG2-CB 4.49Å; I182-V421 HydrophobicContact CG2-CG2 3.89Å; V201-V421 HydrophobicContact CG1-CB 4.27Å; V201-V421 HydrophobicContact CG1-CG1 3.87Å; V201-V421 HydrophobicContact CG2-CG1 3.81Å; L404-V421 HydrophobicContact CD1-CG1 3.99Å; V406-V421 HydrophobicContact CG2-CB 4.28Å; V406-V421 HydrophobicContact CG2-CG1 4.39Å; V406-V421 HydrophobicContact CG2-CG2 3.99Å; K417-V421 VanDerWaalsContact O-CG2 3.28Å; K417-V421 WeakPolarHBondContact O-CG2 3.1Å; K417-V421 PolarHBondContact O-N 2.93Å; K418-V421 PolarHBondContact O-N 3.29Å; D419-V421 PolarHBondContact O-N 3.46Å; V421-L425 WeakPolarHBondContact O-CB 3.02Å; V421-L425 PolarHBondContact O-N 3.04Å
422	T	86.3	Confident	89.6	Confident	46 Å²	46	30.4 Å²	30.4	28%	0.282	15%	0.152	S	C	.	.	H	α-helix	trans	-68.9	-45.1	178.5	-54.5	0	0	0	0	110.9	K418 D419 R420 A424 L425 N426	K418-T422 WeakPolarHBondContact O-CB 3.32Å; K418-T422 PolarHBondContact O-N 3.19Å; K418-T422 PolarHBondContact O-OG1 3.3Å; D419-T422 WeakPolarHBondContact O-CB 3.18Å; D419-T422 PolarHBondContact O-N 3.37Å; D419-T422 VanDerWaalsContact O-N 3.08Å; R420-T422 VanDerWaalsContact C-N 3.28Å; T422-A424 PolarHBondContact O-N 3.11Å; T422-L425 WeakPolarHBondContact O-CB 3.3Å; T422-L425 PolarHBondContact O-N 3.29Å; T422-N426 PolarHBondContact O-N 2.77Å; T422-N426 PolarHBondContact O-ND2 2.78Å
423	D	88.1	Confident	89.5	Confident	25 Å²	25	34.5 Å²	34.5	13%	0.134	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-47.7	175.5	-64.3	-14.1	0	0	0	110.7	S175 D419 L425 N426 A427	S175-D423 PolarHBondContact OG-O 3.33Å; D419-D423 PolarHBondContact O-N 2.88Å; D423-L425 VanDerWaalsContact C-N 3.29Å; D423-L425 PolarHBondContact O-N 2.78Å; D423-N426 PolarHBondContact O-N 2.97Å; D423-N426 VanDerWaalsContact O-N 3.14Å; D423-A427 WeakPolarHBondContact O-CB 3.4Å; D423-A427 PolarHBondContact O-N 2.95Å
424	A	92.9	Very high	89.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-34.9	177.5	0	0	0	0	0	113.3	A172 A176 I182 I186 R420 T422 T428	A172-A424 HydrophobicContact CB-CB 4.46Å; A172-A424 WeakPolarHBondContact O-CB 3.46Å; A176-A424 HydrophobicContact CB-CB 3.95Å; I182-A424 HydrophobicContact CG2-CB 4.26Å; I186-A424 HydrophobicContact CD1-CB 3.54Å; R420-A424 WeakPolarHBondContact O-CB 3.34Å; R420-A424 PolarHBondContact O-N 2.81Å; T422-A424 PolarHBondContact O-N 3.11Å; A424-T428 WeakPolarHBondContact O-CG2 3.43Å; A424-T428 PolarHBondContact O-N 3.49Å; A424-T428 PolarHBondContact O-OG1 3.37Å
425	L	89.1	Confident	89.9	Confident	6 Å²	6	32.8 Å²	32.8	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-68.3	-41.2	174.7	-179.6	64.8	0	0	0	111.6	I186 I199 V201 V421 T422 D423 T428 R429	I186-L425 HydrophobicContact CG2-CD1 4.49Å; I199-L425 HydrophobicContact CB-CD1 3.75Å; I199-L425 HydrophobicContact CB-CD2 4.01Å; I199-L425 HydrophobicContact CD1-CD1 3.66Å; I199-L425 HydrophobicContact CG1-CD1 4.23Å; I199-L425 HydrophobicContact CG2-CD1 3.9Å; I199-L425 HydrophobicContact CG2-CD2 4.03Å; V201-L425 HydrophobicContact CG2-CD2 4.21Å; V421-L425 WeakPolarHBondContact O-CB 3.02Å; V421-L425 PolarHBondContact O-N 3.04Å; T422-L425 WeakPolarHBondContact O-CB 3.3Å; T422-L425 PolarHBondContact O-N 3.29Å; D423-L425 VanDerWaalsContact C-N 3.29Å; D423-L425 PolarHBondContact O-N 2.78Å; L425-T428 WeakPolarHBondContact CA-OG1 3.47Å; L425-T428 PolarHBondContact O-OG1 3.13Å; L425-R429 WeakPolarHBondContact O-CG 3.12Å; L425-R429 PolarHBondContact O-N 2.89Å; L425-R429 VanDerWaalsContact O-N 3.12Å
426	N	86.3	Confident	90.5	Very high	43 Å²	43	30.1 Å²	30.1	23%	0.23	15%	0.146	C	C	.	.	H	α-helix	trans	-68.3	-43	177	-68.2	-30.6	0	0	0	111.3	G110 T422 D423 T428 R429 A430	G110-N426 PolarHBondContact O-ND2 3.16Å; T422-N426 PolarHBondContact O-N 2.77Å; T422-N426 PolarHBondContact O-ND2 2.78Å; D423-N426 PolarHBondContact O-N 2.97Å; D423-N426 VanDerWaalsContact O-N 3.14Å; N426-T428 VanDerWaalsContact C-N 3.34Å; N426-T428 PolarHBondContact O-N 2.92Å; N426-R429 PolarHBondContact O-N 2.69Å; N426-A430 WeakPolarHBondContact O-CB 3.45Å; N426-A430 PolarHBondContact O-N 2.97Å
427	A	92.1	Very high	90.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-43.2	175.8	0	0	0	0	0	112.1	D111 V171 S175 D423 A430 A431 P521	D111-A427 HydrophobicContact CB-CB 4.34Å; V171-A427 HydrophobicContact CG1-CB 4.1Å; S175-A427 WeakPolarHBondContact OG-CB 3.33Å; D423-A427 WeakPolarHBondContact O-CB 3.4Å; D423-A427 PolarHBondContact O-N 2.95Å; A427-A430 PolarHBondContact O-N 3.42Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.43Å; A427-P521 HydrophobicContact CB-CG 3.98Å; A427-P521 WeakPolarHBondContact O-CG 3.39Å
428	T	92.8	Very high	91	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176.4	44.6	0	0	0	0	113.2	I168 V171 A172 I186 A424 L425 N426 A431 V432	I168-T428 HydrophobicContact CG2-CG2 3.89Å; I168-T428 WeakPolarHBondContact O-CG2 3.47Å; V171-T428 HydrophobicContact CB-CG2 4.25Å; V171-T428 HydrophobicContact CG1-CG2 4.09Å; A172-T428 HydrophobicContact CB-CG2 3.59Å; I186-T428 HydrophobicContact CG2-CG2 4.07Å; A424-T428 WeakPolarHBondContact O-CG2 3.43Å; A424-T428 PolarHBondContact O-N 3.49Å; A424-T428 PolarHBondContact O-OG1 3.37Å; L425-T428 WeakPolarHBondContact CA-OG1 3.47Å; L425-T428 PolarHBondContact O-OG1 3.13Å; N426-T428 VanDerWaalsContact C-N 3.34Å; N426-T428 PolarHBondContact O-N 2.92Å; T428-A431 PolarHBondContact O-N 2.92Å; T428-V432 WeakPolarHBondContact O-CG2 3.43Å; T428-V432 PolarHBondContact O-N 3.05Å
429	R	87.4	Confident	91.4	Very high	81 Å²	81	26.6 Å²	26.6	31%	0.306	13%	0.132	S	C	.	.	H	α-helix	trans	-61.2	-48.4	172.3	-74.1	175.1	176.5	163.7	3.8	111.4	I199 L425 N426 A431 V432 E433	I199-R429 PolarHBondContact O-NH2 3.2Å; I199-R429 VanDerWaalsContact O-NH2 3.11Å; L425-R429 WeakPolarHBondContact O-CG 3.12Å; L425-R429 PolarHBondContact O-N 2.89Å; L425-R429 VanDerWaalsContact O-N 3.12Å; N426-R429 PolarHBondContact O-N 2.69Å; R429-A431 VanDerWaalsContact C-N 3.28Å; R429-A431 PolarHBondContact O-N 3.41Å; R429-V432 PolarHBondContact O-N 3.39Å; R429-E433 WeakPolarHBondContact O-CG 3.34Å; R429-E433 PolarHBondContact O-N 3.02Å; R429-E433 VanDerWaalsContact O-N 3.09Å
430	A	89.6	Confident	91.8	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.025	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-39.2	176.9	0	0	0	0	0	112.6	N426 A427 E433 E434 P521 K523 V524	N426-A430 WeakPolarHBondContact O-CB 3.45Å; N426-A430 PolarHBondContact O-N 2.97Å; A427-A430 PolarHBondContact O-N 3.42Å; A430-E433 PolarHBondContact O-N 3.09Å; A430-E434 PolarHBondContact O-N 3.17Å; A430-E434 VanDerWaalsContact O-N 3.09Å; A430-P521 HydrophobicContact CB-CB 3.92Å; A430-P521 HydrophobicContact CB-CG 4.45Å; A430-K523 HydrophobicContact CB-CB 4.11Å; A430-K523 HydrophobicContact CB-CD 4.05Å; A430-V524 HydrophobicContact CB-CG2 4.13Å
431	A	93.8	Very high	92.1	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-68.3	-37.8	177.7	0	0	0	0	0	112.7	V162 V171 A427 T428 R429 E433 G435 I436 P521	V162-A431 HydrophobicContact CG2-CB 4.01Å; V162-A431 WeakPolarHBondContact CG2-O 3.44Å; V171-A431 HydrophobicContact CG1-CB 4Å; V171-A431 HydrophobicContact CG2-CB 4.04Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.43Å; T428-A431 PolarHBondContact O-N 2.92Å; R429-A431 VanDerWaalsContact C-N 3.28Å; R429-A431 PolarHBondContact O-N 3.41Å; A431-E433 VanDerWaalsContact C-N 3.3Å; A431-E433 PolarHBondContact O-N 2.81Å; A431-G435 CarbonylContact O-C 3.54Å; A431-G435 WeakPolarHBondContact O-CA 3.34Å; A431-G435 PolarHBondContact O-N 3.17Å; A431-I436 HydrophobicContact CB-CG2 3.7Å; A431-P521 HydrophobicContact CB-CB 4.08Å; A431-P521 HydrophobicContact CB-CG 4.13Å
432	V	90.8	Very high	92.3	Very high	37 Å²	37	24 Å²	24	22%	0.224	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-33.6	174.5	165.8	0	0	0	0	111.7	I168 M190 R195 T428 R429	I168-V432 HydrophobicContact CD1-CG2 4.41Å; M190-V432 HydrophobicContact CE-CG2 3.95Å; R195-V432 HydrophobicContact CB-CG1 3.94Å; T428-V432 WeakPolarHBondContact O-CG2 3.43Å; T428-V432 PolarHBondContact O-N 3.05Å; R429-V432 PolarHBondContact O-N 3.39Å
433	E	87.3	Confident	92.9	Very high	125 Å²	125	22 Å²	22	58%	0.584	12%	0.115	S	C	*	.	H	α-helix	trans	-77.7	-54.8	-177.6	-72.9	174.1	-172.9	0	0	113.8	R429 A430 A431 K523	R429-E433 WeakPolarHBondContact O-CG 3.34Å; R429-E433 PolarHBondContact O-N 3.02Å; R429-E433 VanDerWaalsContact O-N 3.09Å; A430-E433 PolarHBondContact O-N 3.09Å; A431-E433 VanDerWaalsContact C-N 3.3Å; A431-E433 PolarHBondContact O-N 2.81Å; E433-K523 IonicContact OE2-NZ 2.76Å; E433-K523 PolarHBondContact OE2-NZ 3.46Å
434	E	91.6	Very high	93.3	Very high	59 Å²	59	21 Å²	21	28%	0.276	11%	0.11	S	C	.	.	H	α-helix	trans	-111.8	-0.9	-172.3	-66.8	-167.8	-149.9	0	0	114	S159 A430 K523 R526	S159-E434 PolarHBondContact OG-O 3.44Å; A430-E434 PolarHBondContact O-N 3.17Å; A430-E434 VanDerWaalsContact O-N 3.09Å; E434-K523 HydrophobicContact CB-CB 4.01Å; E434-K523 HydrophobicContact CG-CB 4.01Å; E434-K523 HydrophobicContact CG-CG 4.46Å; E434-K523 WeakPolarHBondContact OE1-CG 3.49Å; E434-R526 IonicContact OE1-CZ 3.02Å; E434-R526 IonicContact OE1-NE 2.77Å; E434-R526 IonicContact OE1-NH2 2.98Å; E434-R526 PolarHBondContact OE1-NH2 3.04Å; E434-R526 IonicContact OE2-CZ 3.33Å; E434-R526 IonicContact OE2-NE 2.75Å; E434-R526 PolarHBondContact OE2-NE 3.16Å; E434-R526 VanDerWaalsContact OE2-NE 3.11Å; E434-R526 IonicContact OE2-NH2 3.77Å
435	G	95.3	Very high	93.5	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.031	11%	0.111	C	C	.	.			trans	86.4	-170.3	-176.8	0	0	0	0	0	113.9	K160 A431 T522	K160-G435 CarbonylContact O-C 3.49Å; K160-G435 VanDerWaalsContact O-CA 3.28Å; K160-G435 WeakPolarHBondContact O-CA 3.44Å; A431-G435 CarbonylContact O-C 3.54Å; A431-G435 WeakPolarHBondContact O-CA 3.34Å; A431-G435 PolarHBondContact O-N 3.17Å; G435-T522 PolarHBondContact O-N 3.49Å; G435-T522 PolarHBondContact O-OG1 2.69Å
436	I	96.7	Very high	93.9	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.9	-174.1	52.4	167.8	0	0	0	111.8	S159 K160 V162 E167 V171 A431 I519 D520	S159-I436 WeakPolarHBondContact CA-O 3.32Å; K160-I436 PolarHBondContact N-O 3.05Å; K160-I436 VanDerWaalsContact O-CG1 3.28Å; K160-I436 WeakPolarHBondContact O-CG1 3.36Å; K160-I436 PolarHBondContact O-N 2.97Å; V162-I436 HydrophobicContact CG2-CB 4.36Å; V162-I436 HydrophobicContact CG2-CD1 4.29Å; V162-I436 HydrophobicContact CG2-CG1 4.05Å; V162-I436 HydrophobicContact CG2-CG2 3.5Å; E167-I436 HydrophobicContact CG-CD1 4.33Å; V171-I436 HydrophobicContact CG2-CG2 3.7Å; A431-I436 HydrophobicContact CB-CG2 3.7Å; I436-I519 HydrophobicContact CD1-CB 4.48Å; I436-I519 HydrophobicContact CD1-CD1 3.54Å; I436-I519 HydrophobicContact CD1-CG2 4.47Å; I436-I519 HydrophobicContact CG2-CD1 4.41Å; I436-D520 WeakPolarHBondContact CA-O 3.01Å
437	V	97.3	Very high	94.4	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.042	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	173	174.9	-74.9	0	0	0	0	110.9	Q158 G439 A443 I519 D520 T522 V525	Q158-V437 HydrophobicContact CB-CG1 4.39Å; V437-G439 PolarHBondContact O-N 2.84Å; V437-A443 HydrophobicContact CB-CB 3.85Å; V437-A443 HydrophobicContact CG2-CB 3.72Å; V437-I519 WeakPolarHBondContact O-CA 3.39Å; V437-D520 WeakPolarHBondContact CG2-O 3.49Å; V437-D520 PolarHBondContact N-O 3.3Å; V437-D520 PolarHBondContact O-N 3.42Å; V437-T522 HydrophobicContact CG1-CG2 4.36Å; V437-T522 WeakPolarHBondContact CG1-OG1 3.25Å; V437-V525 HydrophobicContact CG2-CG2 4.03Å
438	L	97	Very high	94.6	Very high	27 Å²	27	21.2 Å²	21.2	14%	0.141	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.1	177.2	-58.5	171.2	0	0	0	110.9	C442 A443 R446 S499 M513 V514	L438-C442 HydrophobicContact CB-CB 3.94Å; L438-A443 VanDerWaalsContact O-CB 3.25Å; L438-A443 WeakPolarHBondContact O-CB 3.28Å; L438-A443 PolarHBondContact O-N 2.89Å; L438-A443 VanDerWaalsContact O-N 3.15Å; L438-R446 HydrophobicContact CD1-CG 4.31Å; L438-S499 WeakPolarHBondContact CD1-O 3.35Å; L438-M513 HydrophobicContact CD2-CB 3.92Å; L438-V514 HydrophobicContact CD2-CG2 3.56Å
439	G	96.3	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-170.1	-176.7	0	0	0	0	0	114.6	V437 G441 C442 M513 I518 D520	V437-G439 PolarHBondContact O-N 2.84Å; G439-G441 PolarHBondContact O-N 2.83Å; G439-C442 WeakPolarHBondContact O-CB 3.39Å; G439-C442 PolarHBondContact O-N 3.04Å; G439-M513 WeakPolarHBondContact O-CE 3.3Å; G439-I518 PolarHBondContact N-O 3.43Å; G439-D520 WeakPolarHBondContact CA-OD2 3.39Å
440	G	95	Very high	95.1	Very high	18 Å²	18	22.1 Å²	22.1	19%	0.186	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	23.2	172.5	0	0	0	0	0	114.2	C442 D520	G440-C442 PolarHBondContact O-N 3.47Å; G440-D520 PolarHBondContact N-OD2 3.19Å
441	G	96.3	Very high	95.4	Very high	10 Å²	10	22.1 Å²	22.1	10%	0.103	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.5	-174.7	0	0	0	0	0	114.8	G439 A443 L444 L445	G439-G441 PolarHBondContact O-N 2.83Å; G441-A443 PolarHBondContact O-N 3.2Å; G441-L444 PolarHBondContact O-N 2.84Å; G441-L445 PolarHBondContact O-N 3.42Å
442	C	97.2	Very high	95.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-39.7	-179.8	-66.7	0	0	0	0	111.9	L438 G439 G440 L444 L445 R446	L438-C442 HydrophobicContact CB-CB 3.94Å; G439-C442 WeakPolarHBondContact O-CB 3.39Å; G439-C442 PolarHBondContact O-N 3.04Å; G440-C442 PolarHBondContact O-N 3.47Å; C442-L444 VanDerWaalsContact C-N 3.27Å; C442-L444 PolarHBondContact O-N 2.85Å; C442-L445 WeakPolarHBondContact O-CB 3.16Å; C442-L445 PolarHBondContact O-N 2.98Å; C442-L445 VanDerWaalsContact O-N 3.09Å; C442-R446 WeakPolarHBondContact O-CG 3.31Å; C442-R446 PolarHBondContact O-N 3.46Å
443	A	97.4	Very high	95.2	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-52.5	-44.8	176.9	0	0	0	0	0	112.7	L155 V437 L438 G441 R446 C447	L155-A443 HydrophobicContact CD2-CB 3.8Å; V437-A443 HydrophobicContact CB-CB 3.85Å; V437-A443 HydrophobicContact CG2-CB 3.72Å; L438-A443 VanDerWaalsContact O-CB 3.25Å; L438-A443 WeakPolarHBondContact O-CB 3.28Å; L438-A443 PolarHBondContact O-N 2.89Å; L438-A443 VanDerWaalsContact O-N 3.15Å; G441-A443 PolarHBondContact O-N 3.2Å; A443-R446 PolarHBondContact O-N 3.03Å; A443-C447 PolarHBondContact O-N 3.34Å; A443-C447 PolarHBondContact O-SG 3.19Å
444	L	97.8	Very high	95.5	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-40.5	178.2	-66	171.9	0	0	0	112	L119 V151 L155 G441 C442 R446 C447 L472 P475 V525 L529	L119-L444 HydrophobicContact CD1-CD1 4.46Å; V151-L444 HydrophobicContact CG1-CD2 4.45Å; L155-L444 HydrophobicContact CD1-CD2 4.28Å; G441-L444 PolarHBondContact O-N 2.84Å; C442-L444 VanDerWaalsContact C-N 3.27Å; C442-L444 PolarHBondContact O-N 2.85Å; L444-R446 VanDerWaalsContact C-N 3.32Å; L444-R446 PolarHBondContact O-N 3.18Å; L444-C447 WeakPolarHBondContact O-CB 3.38Å; L444-C447 PolarHBondContact O-N 3.11Å; L444-C447 VanDerWaalsContact O-N 3.15Å; L444-L472 HydrophobicContact CB-CB 4.36Å; L444-L472 HydrophobicContact CB-CD2 3.97Å; L444-L472 HydrophobicContact CD2-CD2 3.77Å; L444-L472 HydrophobicContact CG-CD2 4.36Å; L444-P475 HydrophobicContact CD1-CG 3.81Å; L444-V525 HydrophobicContact CD1-CG1 4.34Å; L444-V525 HydrophobicContact CD2-CG1 3.67Å; L444-V525 HydrophobicContact CG-CG1 3.84Å; L444-L529 HydrophobicContact CD2-CD2 4.16Å
445	L	97.6	Very high	95.6	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-40.7	175.2	-70.3	175.5	0	0	0	112.2	G441 C442 C447 I448 K473 A476 V491 I494 M495	G441-L445 PolarHBondContact O-N 3.42Å; C442-L445 WeakPolarHBondContact O-CB 3.16Å; C442-L445 PolarHBondContact O-N 2.98Å; C442-L445 VanDerWaalsContact O-N 3.09Å; L445-C447 PolarHBondContact O-N 2.95Å; L445-I448 HydrophobicContact CD2-CD1 3.94Å; L445-I448 WeakPolarHBondContact O-CB 3.41Å; L445-I448 WeakPolarHBondContact O-CG1 3.27Å; L445-I448 PolarHBondContact O-N 3.35Å; L445-K473 HydrophobicContact CD2-CB 4.17Å; L445-K473 HydrophobicContact CD2-CG 3.82Å; L445-A476 HydrophobicContact CD1-CB 3.86Å; L445-V491 HydrophobicContact CD1-CG1 4.28Å; L445-V491 HydrophobicContact CD2-CG1 3.72Å; L445-I494 HydrophobicContact CD1-CB 4.2Å; L445-I494 HydrophobicContact CD1-CD1 4.18Å; L445-I494 HydrophobicContact CD1-CG2 3.83Å; L445-M495 HydrophobicContact CD2-SD 4.49Å
446	R	96.8	Very high	95.7	Very high	37 Å²	37	32.3 Å²	32.3	14%	0.14	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-11.6	178.4	-61.8	-51.9	175.6	-150.1	-3.3	113.4	Q158 L438 C442 A443 L444 P449 I494 S498 S499 V501	Q158-R446 PolarHBondContact NE2-O 3.43Å; L438-R446 HydrophobicContact CD1-CG 4.31Å; C442-R446 WeakPolarHBondContact O-CG 3.31Å; C442-R446 PolarHBondContact O-N 3.46Å; A443-R446 PolarHBondContact O-N 3.03Å; L444-R446 VanDerWaalsContact C-N 3.32Å; L444-R446 PolarHBondContact O-N 3.18Å; R446-P449 WeakPolarHBondContact O-CD 3.37Å; R446-I494 VanDerWaalsContact CZ-O 3.32Å; R446-I494 PolarHBondContact NH1-O 2.89Å; R446-I494 PolarHBondContact NH2-O 2.78Å; R446-S498 PolarHBondContact NH2-O 2.82Å; R446-S499 PolarHBondContact NE-O 2.82Å; R446-V501 PolarHBondContact NH2-O 3.43Å
447	C	96.9	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.2	174	-63.4	0	0	0	0	113.7	V151 E154 A443 L444 L445 A450	V151-C447 HydrophobicContact CB-CB 4.35Å; V151-C447 HydrophobicContact CG1-CB 3.77Å; V151-C447 HydrophobicContact CG2-CB 4.16Å; E154-C447 HydrophobicContact CG-CB 4.41Å; A443-C447 PolarHBondContact O-N 3.34Å; A443-C447 PolarHBondContact O-SG 3.19Å; L444-C447 WeakPolarHBondContact O-CB 3.38Å; L444-C447 PolarHBondContact O-N 3.11Å; L444-C447 VanDerWaalsContact O-N 3.15Å; L445-C447 PolarHBondContact O-N 2.95Å; C447-A450 WeakPolarHBondContact O-CB 3.32Å; C447-A450 PolarHBondContact O-N 2.92Å; C447-A450 VanDerWaalsContact O-N 3.08Å
448	I	96.4	Very high	95.5	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.072	24%	0.237	C	C	.	.	H	α-helix	trans	-55.1	-44.3	-179.3	-69.2	170	0	0	0	112.9	L445 A450 L451 K469 L472 K473 M495	L445-I448 HydrophobicContact CD2-CD1 3.94Å; L445-I448 WeakPolarHBondContact O-CB 3.41Å; L445-I448 WeakPolarHBondContact O-CG1 3.27Å; L445-I448 PolarHBondContact O-N 3.35Å; I448-A450 PolarHBondContact O-N 2.85Å; I448-L451 WeakPolarHBondContact O-CB 3.27Å; I448-L451 PolarHBondContact O-N 3.43Å; I448-K469 HydrophobicContact CG2-CG 4.07Å; I448-L472 HydrophobicContact CD1-CB 4.46Å; I448-L472 HydrophobicContact CG1-CB 4.13Å; I448-L472 HydrophobicContact CG1-CD1 3.91Å; I448-K473 HydrophobicContact CD1-CG 4.03Å; I448-M495 HydrophobicContact CD1-SD 4.23Å
449	P	95.6	Very high	95.4	Very high	81 Å²	81	42.7 Å²	42.7	53%	0.526	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-30.2	178.2	-25.8	36.3	0	0	0	113.7	R446 L451 E452	R446-P449 WeakPolarHBondContact O-CD 3.37Å; P449-L451 PolarHBondContact O-N 2.86Å; P449-E452 WeakPolarHBondContact O-CB 3.48Å; P449-E452 PolarHBondContact O-N 2.75Å; P449-E452 VanDerWaalsContact O-N 3.14Å
450	A	95.1	Very high	95.3	Very high	20 Å²	20	44.6 Å²	44.6	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-31	177.4	0	0	0	0	0	111.8	E154 C447 I448 E452 S453	E154-A450 HydrophobicContact CB-CB 4.07Å; E154-A450 HydrophobicContact CG-CB 4.02Å; C447-A450 WeakPolarHBondContact O-CB 3.32Å; C447-A450 PolarHBondContact O-N 2.92Å; C447-A450 VanDerWaalsContact O-N 3.08Å; I448-A450 PolarHBondContact O-N 2.85Å; A450-E452 VanDerWaalsContact C-N 3.31Å; A450-E452 PolarHBondContact O-N 3.01Å; A450-S453 PolarHBondContact O-N 3.14Å; A450-S453 PolarHBondContact O-OG 3.4Å
451	L	94.6	Very high	95.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-70.4	-25.9	177.6	-60.7	179.7	0	0	0	113.2	A147 V151 I448 P449 S453 I454 I465 I468 K469 L472	A147-L451 HydrophobicContact CB-CD2 3.65Å; A147-L451 WeakPolarHBondContact O-CD2 3.18Å; V151-L451 HydrophobicContact CG2-CD1 4.37Å; V151-L451 HydrophobicContact CG2-CD2 3.69Å; V151-L451 HydrophobicContact CG2-CG 4.11Å; I448-L451 WeakPolarHBondContact O-CB 3.27Å; I448-L451 PolarHBondContact O-N 3.43Å; P449-L451 PolarHBondContact O-N 2.86Å; L451-S453 PolarHBondContact O-N 3.09Å; L451-I454 HydrophobicContact CD2-CD1 3.73Å; L451-I454 PolarHBondContact O-N 3.47Å; L451-I465 HydrophobicContact CB-CG2 4.15Å; L451-I468 HydrophobicContact CD1-CG2 3.93Å; L451-K469 HydrophobicContact CD1-CB 3.98Å; L451-L472 HydrophobicContact CD1-CD1 3.75Å
452	E	90.3	Very high	95.4	Very high	135 Å²	135	48.4 Å²	48.4	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-70.5	-22.2	179.1	-58.8	-175.1	164	0	0	112.3	P449 A450 I454	P449-E452 WeakPolarHBondContact O-CB 3.48Å; P449-E452 PolarHBondContact O-N 2.75Å; P449-E452 VanDerWaalsContact O-N 3.14Å; A450-E452 VanDerWaalsContact C-N 3.31Å; A450-E452 PolarHBondContact O-N 3.01Å; E452-I454 VanDerWaalsContact C-N 3.33Å
453	S	90.1	Very high	95.3	Very high	96 Å²	96	49.7 Å²	49.7	67%	0.671	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.3	177.6	72.8	0	0	0	0	114	A450 L451	A450-S453 PolarHBondContact O-N 3.14Å; A450-S453 PolarHBondContact O-OG 3.4Å; L451-S453 PolarHBondContact O-N 3.09Å
454	I	94	Very high	95.2	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.195	28%	0.283	C	S	.	.			trans	-78.9	126.7	-176.9	-56.1	175.5	0	0	0	109.5	A150 L451 E452 P456 I465	A150-I454 HydrophobicContact CB-CD1 3.56Å; A150-I454 HydrophobicContact CB-CG1 4.26Å; L451-I454 HydrophobicContact CD2-CD1 3.73Å; L451-I454 PolarHBondContact O-N 3.47Å; E452-I454 VanDerWaalsContact C-N 3.33Å; I454-P456 VanDerWaalsContact O-CD 3.31Å; I454-P456 WeakPolarHBondContact O-CD 3.38Å; I454-I465 HydrophobicContact CB-CD1 4.08Å; I454-I465 HydrophobicContact CG2-CD1 3.57Å; I454-I465 HydrophobicContact CG2-CG1 4.49Å
455	T	94.7	Very high	95.2	Very high	132 Å²	132	49.8 Å²	49.8	81%	0.81	28%	0.284	S	S	*	.			trans	-93.4	109.1	172.5	-55.1	0	0	0	0	109.6
456	P	95.6	Very high	95.1	Very high	40 Å²	40	53.1 Å²	53.1	26%	0.26	30%	0.3	S	S	.	.			trans	-72.5	145.3	178.6	29.3	-33.7	0	0	0	111.1	I454 Q461 K462 I465	I454-P456 VanDerWaalsContact O-CD 3.31Å; I454-P456 WeakPolarHBondContact O-CD 3.38Å; P456-Q461 HydrophobicContact CB-CB 4.12Å; P456-K462 HydrophobicContact CB-CB 3.82Å; P456-K462 HydrophobicContact CG-CB 3.67Å; P456-K462 HydrophobicContact CG-CD 4.35Å; P456-K462 HydrophobicContact CG-CG 4.03Å; P456-I465 HydrophobicContact CB-CD1 4.01Å
457	A	95.9	Very high	95.1	Very high	84 Å²	84	51.5 Å²	51.5	69%	0.694	29%	0.294	S	S	*	.	S	Bend	trans	-75.2	-25.9	177.6	0	0	0	0	0	113.1	Q461	A457-Q461 VanDerWaalsContact CB-OE1 3.32Å; A457-Q461 VanDerWaalsContact N-OE1 3.13Å
458	N	95.1	Very high	95.2	Very high	58 Å²	58	51.5 Å²	51.5	31%	0.31	29%	0.294	S	S	.	.	S	Bend	trans	-153.5	172.3	-179.4	58.4	43.8	0	0	0	111.1	E139 D460 Q461 K462	E139-N458 PolarHBondContact OE2-ND2 3.35Å; N458-D460 VanDerWaalsContact C-N 3.3Å; N458-D460 PolarHBondContact O-N 3.43Å; N458-D460 PolarHBondContact OD1-N 3.07Å; N458-Q461 PolarHBondContact O-N 3.31Å; N458-Q461 WeakPolarHBondContact OD1-CB 3.47Å; N458-Q461 WeakPolarHBondContact OD1-CG 3.49Å; N458-Q461 PolarHBondContact OD1-N 2.94Å; N458-K462 PolarHBondContact O-N 3.16Å; N458-K462 VanDerWaalsContact O-N 3.13Å
459	E	94.5	Very high	95.2	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-67.5	-28.2	-176.2	-164.6	64.1	-158.1	0	0	113	K462 T463	E459-K462 WeakPolarHBondContact O-CB 3.28Å; E459-K462 PolarHBondContact O-N 2.94Å; E459-K462 IonicContact OE1-NZ 3.3Å; E459-K462 PolarHBondContact OE1-NZ 3.38Å; E459-K462 IonicContact OE2-NZ 3.89Å; E459-K462 PolarHBondContact OE2-NZ 3.12Å; E459-T463 PolarHBondContact O-N 3.47Å; E459-T463 PolarHBondContact O-OG1 3.24Å
460	D	95.1	Very high	95.2	Very high	39 Å²	39	53.2 Å²	53.2	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-68.8	-43.5	176.4	-72.3	-38.4	0	0	0	111.2	A135 N136 E139 I140 N458 K462 T463 G464	A135-D460 WeakPolarHBondContact CA-OD1 3.47Å; A135-D460 WeakPolarHBondContact CB-OD1 3.44Å; N136-D460 VanDerWaalsContact CB-OD2 3.28Å; N136-D460 WeakPolarHBondContact CB-OD2 3.38Å; N136-D460 PolarHBondContact N-OD1 3.18Å; N136-D460 PolarHBondContact N-OD2 3.35Å; E139-D460 HydrophobicContact CB-CB 3.49Å; E139-D460 VanDerWaalsContact CB-CB 3.49Å; I140-D460 HydrophobicContact CG1-CB 4.1Å; N458-D460 VanDerWaalsContact C-N 3.3Å; N458-D460 PolarHBondContact O-N 3.43Å; N458-D460 PolarHBondContact OD1-N 3.07Å; D460-K462 VanDerWaalsContact C-N 3.33Å; D460-K462 PolarHBondContact O-N 3.43Å; D460-T463 WeakPolarHBondContact O-CB 3.45Å; D460-T463 PolarHBondContact O-N 3.34Å; D460-T463 VanDerWaalsContact O-N 3.16Å; D460-G464 PolarHBondContact O-N 3.45Å
461	Q	96	Very high	95.4	Very high	21 Å²	21	52.2 Å²	52.2	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-40.1	174.3	-73.6	-179.8	16.8	0	0	111.7	E139 R142 G143 P456 A457 N458 T463 G464 I465	E139-Q461 WeakPolarHBondContact O-CG 3.41Å; E139-Q461 PolarHBondContact OE2-NE2 3.26Å; R142-Q461 HydrophobicContact CB-CG 4.43Å; G143-Q461 WeakPolarHBondContact CA-O 2.99Å; P456-Q461 HydrophobicContact CB-CB 4.12Å; A457-Q461 VanDerWaalsContact CB-OE1 3.32Å; A457-Q461 VanDerWaalsContact N-OE1 3.13Å; N458-Q461 PolarHBondContact O-N 3.31Å; N458-Q461 WeakPolarHBondContact OD1-CB 3.47Å; N458-Q461 WeakPolarHBondContact OD1-CG 3.49Å; N458-Q461 PolarHBondContact OD1-N 2.94Å; Q461-T463 VanDerWaalsContact C-N 3.28Å; Q461-T463 PolarHBondContact O-N 2.73Å; Q461-G464 WeakPolarHBondContact O-CA 3.41Å; Q461-G464 PolarHBondContact O-N 3.18Å; Q461-G464 VanDerWaalsContact O-N 3.09Å; Q461-I465 WeakPolarHBondContact O-CG1 3.42Å; Q461-I465 PolarHBondContact O-N 2.79Å
462	K	95.9	Very high	95.5	Very high	88 Å²	88	52.1 Å²	52.1	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-42.8	172.6	-174.3	179.9	161.5	-151.9	0	111.3	P456 N458 E459 D460 G464 I465 E466	P456-K462 HydrophobicContact CB-CB 3.82Å; P456-K462 HydrophobicContact CG-CB 3.67Å; P456-K462 HydrophobicContact CG-CD 4.35Å; P456-K462 HydrophobicContact CG-CG 4.03Å; N458-K462 PolarHBondContact O-N 3.16Å; N458-K462 VanDerWaalsContact O-N 3.13Å; E459-K462 WeakPolarHBondContact O-CB 3.28Å; E459-K462 PolarHBondContact O-N 2.94Å; E459-K462 IonicContact OE1-NZ 3.3Å; E459-K462 PolarHBondContact OE1-NZ 3.38Å; E459-K462 IonicContact OE2-NZ 3.89Å; E459-K462 PolarHBondContact OE2-NZ 3.12Å; D460-K462 VanDerWaalsContact C-N 3.33Å; D460-K462 PolarHBondContact O-N 3.43Å; K462-G464 VanDerWaalsContact C-N 3.31Å; K462-G464 PolarHBondContact O-N 3.28Å; K462-I465 PolarHBondContact O-N 3.23Å; K462-E466 WeakPolarHBondContact O-CG 3.39Å; K462-E466 PolarHBondContact O-N 3.05Å
463	T	95.6	Very high	95.9	Very high	27 Å²	27	48.3 Å²	48.3	17%	0.166	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-41.3	174.2	-60.2	0	0	0	0	111.3	K130 I140 E459 D460 Q461 I465 E466 I467	K130-T463 HydrophobicContact CB-CG2 3.85Å; K130-T463 HydrophobicContact CD-CG2 3.89Å; K130-T463 HydrophobicContact CG-CG2 3.7Å; I140-T463 HydrophobicContact CD1-CG2 4.44Å; E459-T463 PolarHBondContact O-N 3.47Å; E459-T463 PolarHBondContact O-OG1 3.24Å; D460-T463 WeakPolarHBondContact O-CB 3.45Å; D460-T463 PolarHBondContact O-N 3.34Å; D460-T463 VanDerWaalsContact O-N 3.16Å; Q461-T463 VanDerWaalsContact C-N 3.28Å; Q461-T463 PolarHBondContact O-N 2.73Å; T463-I465 PolarHBondContact O-N 2.73Å; T463-E466 PolarHBondContact O-N 2.89Å; T463-I467 HydrophobicContact CG2-CD1 4.48Å; T463-I467 WeakPolarHBondContact O-CG1 3.48Å; T463-I467 PolarHBondContact O-N 3.31Å
464	G	96.1	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-42.7	173.2	0	0	0	0	0	113.9	V144 D460 Q461 K462 I467 I468	V144-G464 WeakPolarHBondContact CG2-O 3.33Å; D460-G464 PolarHBondContact O-N 3.45Å; Q461-G464 WeakPolarHBondContact O-CA 3.41Å; Q461-G464 PolarHBondContact O-N 3.18Å; Q461-G464 VanDerWaalsContact O-N 3.09Å; K462-G464 VanDerWaalsContact C-N 3.31Å; K462-G464 PolarHBondContact O-N 3.28Å; G464-I467 WeakPolarHBondContact O-CB 3.36Å; G464-I467 PolarHBondContact O-N 2.99Å; G464-I468 PolarHBondContact O-N 3Å
465	I	97.4	Very high	96.5	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-42.1	176.1	-62.4	163.1	0	0	0	110.8	A147 L451 I454 P456 Q461 K462 T463 I467 I468 K469	A147-I465 HydrophobicContact CB-CB 4.42Å; A147-I465 HydrophobicContact CB-CG1 4.18Å; A147-I465 HydrophobicContact CB-CG2 4.42Å; L451-I465 HydrophobicContact CB-CG2 4.15Å; I454-I465 HydrophobicContact CB-CD1 4.08Å; I454-I465 HydrophobicContact CG2-CD1 3.57Å; I454-I465 HydrophobicContact CG2-CG1 4.49Å; P456-I465 HydrophobicContact CB-CD1 4.01Å; Q461-I465 WeakPolarHBondContact O-CG1 3.42Å; Q461-I465 PolarHBondContact O-N 2.79Å; K462-I465 PolarHBondContact O-N 3.23Å; T463-I465 PolarHBondContact O-N 2.73Å; I465-I467 VanDerWaalsContact C-N 3.33Å; I465-I467 PolarHBondContact O-N 2.88Å; I465-I468 PolarHBondContact O-N 3Å; I465-K469 PolarHBondContact O-N 3.09Å
466	E	95.9	Very high	96.6	Very high	75 Å²	75	37.1 Å²	37.1	35%	0.35	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-33.8	177.3	-71.6	-60.3	137.5	0	0	112.9	K462 T463 I468 K469 K470	K462-E466 WeakPolarHBondContact O-CG 3.39Å; K462-E466 PolarHBondContact O-N 3.05Å; T463-E466 PolarHBondContact O-N 2.89Å; E466-I468 VanDerWaalsContact C-N 3.35Å; E466-K469 PolarHBondContact O-N 3.05Å; E466-K469 IonicContact OE1-NZ 2.79Å; E466-K469 PolarHBondContact OE1-NZ 3.44Å; E466-K469 IonicContact OE2-NZ 2.75Å; E466-K470 PolarHBondContact O-N 3.26Å; E466-K470 VanDerWaalsContact O-N 3.09Å
467	I	96.6	Very high	96.8	Very high	3 Å²	3	38 Å²	38	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-46.8	172.6	-69.5	167.3	0	0	0	110.3	I123 E126 I140 V144 T463 G464 I465 K470 T471	I123-I467 HydrophobicContact CB-CG2 4.47Å; I123-I467 HydrophobicContact CG1-CG2 4.44Å; I123-I467 HydrophobicContact CG2-CG2 4.27Å; E126-I467 HydrophobicContact CB-CG1 4.07Å; E126-I467 HydrophobicContact CB-CG2 4.03Å; I140-I467 HydrophobicContact CG2-CD1 3.7Å; V144-I467 HydrophobicContact CG2-CB 4.49Å; T463-I467 HydrophobicContact CG2-CD1 4.48Å; T463-I467 WeakPolarHBondContact O-CG1 3.48Å; T463-I467 PolarHBondContact O-N 3.31Å; G464-I467 WeakPolarHBondContact O-CB 3.36Å; G464-I467 PolarHBondContact O-N 2.99Å; I465-I467 VanDerWaalsContact C-N 3.33Å; I465-I467 PolarHBondContact O-N 2.88Å; I467-K470 PolarHBondContact O-N 3.08Å; I467-T471 VanDerWaalsContact O-CB 3.27Å; I467-T471 WeakPolarHBondContact O-CB 3.45Å; I467-T471 PolarHBondContact O-N 3.4Å; I467-T471 PolarHBondContact O-OG1 2.94Å
468	I	97.9	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-43.3	177.7	-68.5	-56.3	0	0	0	111.1	I123 V144 A147 V148 V151 L451 G464 I465 E466 K470 T471 L472	I123-I468 HydrophobicContact CD1-CD1 3.7Å; I123-I468 HydrophobicContact CG1-CD1 4.05Å; V144-I468 HydrophobicContact CB-CG1 4.39Å; V144-I468 HydrophobicContact CG1-CD1 3.8Å; V144-I468 HydrophobicContact CG1-CG1 3.85Å; V144-I468 HydrophobicContact CG2-CG1 4.49Å; A147-I468 HydrophobicContact CB-CB 3.83Å; A147-I468 HydrophobicContact CB-CG1 3.95Å; A147-I468 HydrophobicContact CB-CG2 3.98Å; V148-I468 HydrophobicContact CG2-CD1 4.03Å; V148-I468 HydrophobicContact CG2-CG1 4.25Å; V151-I468 HydrophobicContact CG2-CG2 4.44Å; L451-I468 HydrophobicContact CD1-CG2 3.93Å; G464-I468 PolarHBondContact O-N 3Å; I465-I468 PolarHBondContact O-N 3Å; E466-I468 VanDerWaalsContact C-N 3.35Å; I468-K470 VanDerWaalsContact C-N 3.26Å; I468-K470 PolarHBondContact O-N 3.18Å; I468-T471 WeakPolarHBondContact O-CA 3.37Å; I468-T471 PolarHBondContact O-N 2.97Å; I468-L472 HydrophobicContact CG2-CD1 4.21Å; I468-L472 HydrophobicContact CG2-CD2 4.42Å; I468-L472 HydrophobicContact CG2-CG 4.08Å; I468-L472 WeakPolarHBondContact O-CG 3.31Å; I468-L472 PolarHBondContact O-N 3.47Å
469	K	96.9	Very high	97	Very high	42 Å²	42	33 Å²	33	18%	0.183	16%	0.157	C	C	.	.	H	α-helix	trans	-52.7	-42.8	177.2	-173.5	-179.7	-71.1	169.4	0	112.6	I448 L451 I465 E466	I448-K469 HydrophobicContact CG2-CG 4.07Å; L451-K469 HydrophobicContact CD1-CB 3.98Å; I465-K469 PolarHBondContact O-N 3.09Å; E466-K469 PolarHBondContact O-N 3.05Å; E466-K469 IonicContact OE1-NZ 2.79Å; E466-K469 PolarHBondContact OE1-NZ 3.44Å; E466-K469 IonicContact OE2-NZ 2.75Å
470	K	96.4	Very high	97.2	Very high	88 Å²	88	27.2 Å²	27.2	38%	0.383	13%	0.13	S	C	.	.	H	α-helix	trans	-70.5	-43.5	173.2	-71	-179.9	171.7	-170	0	112.6	E126 E466 I467 I468 L472 K473	E126-K470 HydrophobicContact CG-CD 4.42Å; E126-K470 WeakPolarHBondContact OE1-CD 3.29Å; E126-K470 IonicContact OE1-NZ 2.72Å; E126-K470 PolarHBondContact OE1-NZ 3.08Å; E126-K470 WeakPolarHBondContact OE2-CD 3.49Å; E126-K470 IonicContact OE2-NZ 2.78Å; E126-K470 PolarHBondContact OE2-NZ 2.96Å; E466-K470 PolarHBondContact O-N 3.26Å; E466-K470 VanDerWaalsContact O-N 3.09Å; I467-K470 PolarHBondContact O-N 3.08Å; I468-K470 VanDerWaalsContact C-N 3.26Å; I468-K470 PolarHBondContact O-N 3.18Å; K470-L472 VanDerWaalsContact C-N 3.31Å; K470-L472 PolarHBondContact O-N 3.37Å; K470-K473 WeakPolarHBondContact O-CB 3.41Å; K470-K473 PolarHBondContact O-N 2.95Å; K470-K473 VanDerWaalsContact O-N 3.16Å
471	T	97.9	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-35.8	-176	-66.3	0	0	0	0	112.7	L119 S122 I123 I467 I468 K473 I474	L119-T471 HydrophobicContact CB-CG2 4.31Å; L119-T471 HydrophobicContact CD2-CG2 3.51Å; S122-T471 PolarHBondContact OG-OG1 3.37Å; I123-T471 HydrophobicContact CD1-CG2 4.09Å; I123-T471 HydrophobicContact CG1-CG2 3.69Å; I467-T471 VanDerWaalsContact O-CB 3.27Å; I467-T471 WeakPolarHBondContact O-CB 3.45Å; I467-T471 PolarHBondContact O-N 3.4Å; I467-T471 PolarHBondContact O-OG1 2.94Å; I468-T471 WeakPolarHBondContact O-CA 3.37Å; I468-T471 PolarHBondContact O-N 2.97Å; T471-K473 PolarHBondContact O-N 3.41Å; T471-I474 VanDerWaalsContact O-CB 3.31Å; T471-I474 WeakPolarHBondContact O-CB 3.42Å; T471-I474 VanDerWaalsContact O-CG1 3.26Å; T471-I474 WeakPolarHBondContact O-CG1 3.19Å; T471-I474 PolarHBondContact O-N 3.11Å
472	L	98.1	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.9	178.4	-66.8	175.7	0	0	0	113.5	V151 L444 I448 L451 I468 K470 L529	V151-L472 HydrophobicContact CG1-CD2 4.15Å; V151-L472 HydrophobicContact CG2-CD1 3.85Å; V151-L472 HydrophobicContact CG2-CD2 4.47Å; L444-L472 HydrophobicContact CB-CB 4.36Å; L444-L472 HydrophobicContact CB-CD2 3.97Å; L444-L472 HydrophobicContact CD2-CD2 3.77Å; L444-L472 HydrophobicContact CG-CD2 4.36Å; I448-L472 HydrophobicContact CD1-CB 4.46Å; I448-L472 HydrophobicContact CG1-CB 4.13Å; I448-L472 HydrophobicContact CG1-CD1 3.91Å; L451-L472 HydrophobicContact CD1-CD1 3.75Å; I468-L472 HydrophobicContact CG2-CD1 4.21Å; I468-L472 HydrophobicContact CG2-CD2 4.42Å; I468-L472 HydrophobicContact CG2-CG 4.08Å; I468-L472 WeakPolarHBondContact O-CG 3.31Å; I468-L472 PolarHBondContact O-N 3.47Å; K470-L472 VanDerWaalsContact C-N 3.31Å; K470-L472 PolarHBondContact O-N 3.37Å; L472-L529 HydrophobicContact CD2-CD1 4.29Å; L472-L529 HydrophobicContact CD2-CD2 4.19Å
473	K	98.1	Very high	97.4	Very high	56 Å²	56	29.5 Å²	29.5	24%	0.243	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-18.5	176.7	-60	-173.1	176.2	-166.2	0	113.8	L445 I448 K470 T471 M477 V491 E492 M495	L445-K473 HydrophobicContact CD2-CB 4.17Å; L445-K473 HydrophobicContact CD2-CG 3.82Å; I448-K473 HydrophobicContact CD1-CG 4.03Å; K470-K473 WeakPolarHBondContact O-CB 3.41Å; K470-K473 PolarHBondContact O-N 2.95Å; K470-K473 VanDerWaalsContact O-N 3.16Å; T471-K473 PolarHBondContact O-N 3.41Å; K473-M477 WeakPolarHBondContact O-CB 3.38Å; K473-M477 PolarHBondContact O-N 2.99Å; K473-M477 VanDerWaalsContact O-N 3.15Å; K473-V491 HydrophobicContact CB-CG1 4.08Å; K473-V491 HydrophobicContact CD-CG1 3.99Å; K473-V491 HydrophobicContact CG-CG1 3.99Å; K473-E492 IonicContact NZ-OE1 2.61Å; K473-E492 PolarHBondContact NZ-OE1 2.96Å; K473-M495 HydrophobicContact CD-SD 4.47Å; K473-M495 VanDerWaalsContact CE-SD 3.59Å
474	I	98.3	Very high	97.4	Very high	24 Å²	24	31.4 Å²	31.4	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-42.7	-167.2	-60.9	-62.9	0	0	0	113.9	V118 S122 T471 M477 T478	V118-I474 HydrophobicContact CB-CG2 4.02Å; V118-I474 HydrophobicContact CG2-CG2 4.05Å; S122-I474 WeakPolarHBondContact OG-CG1 2.94Å; T471-I474 VanDerWaalsContact O-CB 3.31Å; T471-I474 WeakPolarHBondContact O-CB 3.42Å; T471-I474 VanDerWaalsContact O-CG1 3.26Å; T471-I474 WeakPolarHBondContact O-CG1 3.19Å; T471-I474 PolarHBondContact O-N 3.11Å; I474-M477 HydrophobicContact CD1-CE 3.47Å; I474-M477 VanDerWaalsContact CD1-CE 3.47Å; I474-M477 PolarHBondContact O-N 3.49Å; I474-T478 WeakPolarHBondContact O-CB 3.26Å; I474-T478 PolarHBondContact O-N 2.91Å; I474-T478 PolarHBondContact O-OG1 3.39Å
475	P	98.2	Very high	97.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-50.7	-178.4	-28.1	39.7	0	0	0	112.4	T115 L119 L444 M477 T478 I479	T115-P475 HydrophobicContact CG2-CB 4.39Å; T115-P475 HydrophobicContact CG2-CG 4.08Å; L119-P475 HydrophobicContact CD2-CG 3.81Å; L119-P475 HydrophobicContact CG-CG 4.19Å; L444-P475 HydrophobicContact CD1-CG 3.81Å; P475-M477 VanDerWaalsContact C-N 3.32Å; P475-M477 PolarHBondContact O-N 3.19Å; P475-T478 PolarHBondContact O-N 3.46Å; P475-T478 VanDerWaalsContact O-N 3.14Å; P475-I479 WeakPolarHBondContact O-CG1 3.49Å; P475-I479 PolarHBondContact O-N 2.95Å
476	A	98.1	Very high	97.4	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-40.8	177.2	0	0	0	0	0	112.1	L445 T478 I479 A480 V491	L445-A476 HydrophobicContact CD1-CB 3.86Å; A476-T478 VanDerWaalsContact C-N 3.34Å; A476-T478 PolarHBondContact O-N 2.71Å; A476-I479 PolarHBondContact O-N 3.48Å; A476-A480 WeakPolarHBondContact O-CB 3.4Å; A476-A480 PolarHBondContact O-N 3.44Å; A476-V491 HydrophobicContact CB-CG2 3.87Å
477	M	97.9	Very high	97.3	Very high	58 Å²	58	36.8 Å²	36.8	29%	0.286	20%	0.197	S	C	.	.	H	α-helix	trans	-63.9	-38.8	176.1	-171.3	171.1	67.7	0	0	112.4	K473 I474 P475 K481 V491	K473-M477 WeakPolarHBondContact O-CB 3.38Å; K473-M477 PolarHBondContact O-N 2.99Å; K473-M477 VanDerWaalsContact O-N 3.15Å; I474-M477 HydrophobicContact CD1-CE 3.47Å; I474-M477 VanDerWaalsContact CD1-CE 3.47Å; I474-M477 PolarHBondContact O-N 3.49Å; P475-M477 VanDerWaalsContact C-N 3.32Å; P475-M477 PolarHBondContact O-N 3.19Å; M477-K481 VanDerWaalsContact O-CB 3.27Å; M477-K481 WeakPolarHBondContact O-CB 3.35Å; M477-K481 PolarHBondContact O-N 2.94Å; M477-V491 HydrophobicContact CB-CG2 4.1Å
478	T	98.1	Very high	97.3	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-42.6	179.7	-54.9	0	0	0	0	111.1	A52 M55 V118 I474 P475 A476 A480 K481 N482	A52-T478 HydrophobicContact CB-CG2 4.2Å; M55-T478 HydrophobicContact CB-CG2 4.18Å; M55-T478 HydrophobicContact CG-CG2 4.47Å; M55-T478 HydrophobicContact SD-CG2 3.71Å; V118-T478 HydrophobicContact CG1-CG2 4.45Å; I474-T478 WeakPolarHBondContact O-CB 3.26Å; I474-T478 PolarHBondContact O-N 2.91Å; I474-T478 PolarHBondContact O-OG1 3.39Å; P475-T478 PolarHBondContact O-N 3.46Å; P475-T478 VanDerWaalsContact O-N 3.14Å; A476-T478 VanDerWaalsContact C-N 3.34Å; A476-T478 PolarHBondContact O-N 2.71Å; T478-A480 PolarHBondContact O-N 3.24Å; T478-K481 PolarHBondContact O-N 2.75Å; T478-N482 PolarHBondContact O-N 3.02Å
479	I	97.9	Very high	97.2	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-48.6	173.9	-68.6	166.2	0	0	0	110.6	M55 P475 A476 N482 A483 A505	M55-I479 HydrophobicContact CG-CG1 3.69Å; M55-I479 HydrophobicContact SD-CG1 3.86Å; P475-I479 WeakPolarHBondContact O-CG1 3.49Å; P475-I479 PolarHBondContact O-N 2.95Å; A476-I479 PolarHBondContact O-N 3.48Å; I479-N482 PolarHBondContact O-N 2.98Å; I479-A483 PolarHBondContact O-N 3.06Å; I479-A505 HydrophobicContact CG2-CB 3.49Å; I479-A505 VanDerWaalsContact CG2-CB 3.49Å
480	A	97.8	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-41.5	178.1	0	0	0	0	0	112.4	A476 T478 N482 A483 G484 V485 I490	A476-A480 WeakPolarHBondContact O-CB 3.4Å; A476-A480 PolarHBondContact O-N 3.44Å; T478-A480 PolarHBondContact O-N 3.24Å; A480-N482 PolarHBondContact O-N 2.77Å; A480-A483 CarbonylContact O-C 3.38Å; A480-A483 WeakPolarHBondContact O-CA 3.48Å; A480-A483 WeakPolarHBondContact O-CB 3.43Å; A480-A483 PolarHBondContact O-N 2.85Å; A480-A483 VanDerWaalsContact O-N 3.14Å; A480-G484 PolarHBondContact O-N 3.42Å; A480-V485 HydrophobicContact CB-CG2 3.94Å; A480-V485 VanDerWaalsContact O-CG2 3.23Å; A480-V485 WeakPolarHBondContact O-CG2 3.35Å; A480-V485 PolarHBondContact O-N 3.41Å; A480-I490 HydrophobicContact CB-CB 4.14Å; A480-I490 HydrophobicContact CB-CG1 4.11Å; A480-I490 HydrophobicContact CB-CG2 4.29Å
481	K	97.8	Very high	97.2	Very high	155 Å²	155	39.4 Å²	39.4	67%	0.674	22%	0.222	S	C	*	.	H	α-helix	trans	-61.4	-43.5	175.5	-178.1	178.2	174.7	-178.1	0	111.9	M477 T478 A483 G484	M477-K481 VanDerWaalsContact O-CB 3.27Å; M477-K481 WeakPolarHBondContact O-CB 3.35Å; M477-K481 PolarHBondContact O-N 2.94Å; T478-K481 PolarHBondContact O-N 2.75Å; K481-A483 PolarHBondContact O-N 2.84Å; K481-G484 PolarHBondContact O-N 3.06Å
482	N	97.4	Very high	97.2	Very high	21 Å²	21	43 Å²	43	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-29.2	176.4	-73.9	-10.6	0	0	0	112.2	A52 M55 T478 I479 A480 G484	A52-N482 PolarHBondContact O-ND2 3.06Å; M55-N482 PolarHBondContact O-ND2 3.49Å; T478-N482 PolarHBondContact O-N 3.02Å; I479-N482 PolarHBondContact O-N 2.98Å; A480-N482 PolarHBondContact O-N 2.77Å; N482-G484 PolarHBondContact O-N 3.23Å
483	A	96.6	Very high	97.1	Very high	19 Å²	19	47.7 Å²	47.7	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.3	171.3	0	0	0	0	0	114.4	K58 I479 A480 K481 V485 A505	K58-A483 HydrophobicContact CB-CB 4.41Å; K58-A483 HydrophobicContact CD-CB 3.81Å; I479-A483 PolarHBondContact O-N 3.06Å; A480-A483 CarbonylContact O-C 3.38Å; A480-A483 WeakPolarHBondContact O-CA 3.48Å; A480-A483 WeakPolarHBondContact O-CB 3.43Å; A480-A483 PolarHBondContact O-N 2.85Å; A480-A483 VanDerWaalsContact O-N 3.14Å; K481-A483 PolarHBondContact O-N 2.84Å; A483-V485 HydrophobicContact CB-CG2 4.5Å; A483-A505 HydrophobicContact CB-CB 4.17Å
484	G	96.1	Very high	97.1	Very high	68 Å²	68	45.1 Å²	45.1	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.9	18.9	177.8	0	0	0	0	0	114.5	A480 K481 N482	A480-G484 PolarHBondContact O-N 3.42Å; K481-G484 PolarHBondContact O-N 3.06Å; N482-G484 PolarHBondContact O-N 3.23Å
485	V	96.8	Very high	96.9	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.345	26%	0.258	S	S	.	.	S	Bend	trans	-116.8	163.9	178.6	-60.6	0	0	0	0	111.7	A480 A483 G487 I490 Y503	A480-V485 HydrophobicContact CB-CG2 3.94Å; A480-V485 VanDerWaalsContact O-CG2 3.23Å; A480-V485 WeakPolarHBondContact O-CG2 3.35Å; A480-V485 PolarHBondContact O-N 3.41Å; A483-V485 HydrophobicContact CB-CG2 4.5Å; V485-G487 PolarHBondContact O-N 2.95Å; V485-I490 HydrophobicContact CG2-CD1 4.41Å; V485-I490 HydrophobicContact CG2-CG1 3.92Å; V485-Y503 HydrophobicContact CG2-CE1 4.22Å; V485-Y503 WeakPolarHBondContact CG2-OH 3.4Å
486	E	95.8	Very high	96.8	Very high	133 Å²	133	54.6 Å²	54.6	62%	0.621	29%	0.293	S	S	*	.			trans	-71.4	99.7	-178.1	-171.7	57.4	-129.8	0	0	111.4	S488 L489 I490	E486-S488 PolarHBondContact O-N 3.35Å; E486-L489 HydrophobicContact CB-CB 4.22Å; E486-L489 HydrophobicContact CG-CB 4.09Å; E486-L489 PolarHBondContact O-N 2.92Å; E486-I490 PolarHBondContact O-N 3.45Å
487	G	95	Very high	96.7	Very high	5 Å²	5	56.1 Å²	56.1	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-37.3	-169.8	0	0	0	0	0	114.5	V485 L489 I490 V491	V485-G487 PolarHBondContact O-N 2.95Å; G487-L489 VanDerWaalsContact C-N 3.34Å; G487-L489 PolarHBondContact O-N 2.85Å; G487-I490 PolarHBondContact O-N 3.23Å; G487-V491 WeakPolarHBondContact O-CG2 3.47Å; G487-V491 PolarHBondContact O-N 3.46Å
488	S	95.3	Very high	96.6	Very high	62 Å²	62	56 Å²	56	43%	0.434	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-38.1	178.1	-57.3	0	0	0	0	112.2	E486 V491 E492	E486-S488 PolarHBondContact O-N 3.35Å; S488-V491 PolarHBondContact O-N 2.94Å; S488-E492 WeakPolarHBondContact O-CG 3.49Å; S488-E492 PolarHBondContact O-N 3.02Å
489	L	96.4	Very high	96.3	Very high	109 Å²	109	59.4 Å²	59.4	57%	0.571	33%	0.332	S	S	*	.	H	α-helix	trans	-66.1	-41.3	176.8	-176.5	148.1	0	0	0	111.3	E486 G487 K493	E486-L489 HydrophobicContact CB-CB 4.22Å; E486-L489 HydrophobicContact CG-CB 4.09Å; E486-L489 PolarHBondContact O-N 2.92Å; G487-L489 VanDerWaalsContact C-N 3.34Å; G487-L489 PolarHBondContact O-N 2.85Å; L489-K493 WeakPolarHBondContact O-CB 3.34Å; L489-K493 PolarHBondContact O-N 3.3Å
490	I	97.4	Very high	96.1	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-48.3	175.8	-61.6	-57.2	0	0	0	110.7	A480 V485 E486 G487 E492 K493 I494 Y503 F510	A480-I490 HydrophobicContact CB-CB 4.14Å; A480-I490 HydrophobicContact CB-CG1 4.11Å; A480-I490 HydrophobicContact CB-CG2 4.29Å; V485-I490 HydrophobicContact CG2-CD1 4.41Å; V485-I490 HydrophobicContact CG2-CG1 3.92Å; E486-I490 PolarHBondContact O-N 3.45Å; G487-I490 PolarHBondContact O-N 3.23Å; I490-E492 PolarHBondContact O-N 2.72Å; I490-K493 PolarHBondContact O-N 3.49Å; I490-I494 HydrophobicContact CG2-CD1 3.99Å; I490-I494 HydrophobicContact CG2-CG1 4.4Å; I490-I494 WeakPolarHBondContact O-CG1 3.39Å; I490-I494 PolarHBondContact O-N 3.27Å; I490-Y503 HydrophobicContact CD1-CD2 4.12Å; I490-Y503 HydrophobicContact CD1-CE2 3.83Å; I490-Y503 HydrophobicContact CG2-CD1 3.69Å; I490-Y503 HydrophobicContact CG2-CD2 3.99Å; I490-Y503 HydrophobicContact CG2-CE1 4.28Å; I490-Y503 HydrophobicContact CG2-CG 3.51Å; I490-F510 HydrophobicContact CD1-CE2 4.19Å; I490-F510 HydrophobicContact CD1-CZ 3.96Å; I490-F510 HydrophobicContact CG2-CZ 4.26Å
491	V	97.3	Very high	96.1	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-48	179.3	167.3	0	0	0	0	111.9	L445 K473 A476 M477 G487 S488 K493 I494 M495	L445-V491 HydrophobicContact CD1-CG1 4.28Å; L445-V491 HydrophobicContact CD2-CG1 3.72Å; K473-V491 HydrophobicContact CB-CG1 4.08Å; K473-V491 HydrophobicContact CD-CG1 3.99Å; K473-V491 HydrophobicContact CG-CG1 3.99Å; A476-V491 HydrophobicContact CB-CG2 3.87Å; M477-V491 HydrophobicContact CB-CG2 4.1Å; G487-V491 WeakPolarHBondContact O-CG2 3.47Å; G487-V491 PolarHBondContact O-N 3.46Å; S488-V491 PolarHBondContact O-N 2.94Å; V491-K493 VanDerWaalsContact C-N 3.3Å; V491-K493 PolarHBondContact O-N 2.83Å; V491-I494 PolarHBondContact O-N 3.46Å; V491-M495 HydrophobicContact CG1-SD 4.07Å; V491-M495 WeakPolarHBondContact O-CG 3.38Å; V491-M495 PolarHBondContact O-N 2.77Å
492	E	96.8	Very high	96.1	Very high	75 Å²	75	56.3 Å²	56.3	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-38.1	179.4	-69.1	-59.6	144	0	0	111.5	K473 S488 I490 M495 Q496	K473-E492 IonicContact NZ-OE1 2.61Å; K473-E492 PolarHBondContact NZ-OE1 2.96Å; S488-E492 WeakPolarHBondContact O-CG 3.49Å; S488-E492 PolarHBondContact O-N 3.02Å; I490-E492 PolarHBondContact O-N 2.72Å; E492-M495 PolarHBondContact O-N 2.78Å; E492-M495 WeakPolarHBondContact OE2-CE 3.27Å; E492-Q496 WeakPolarHBondContact O-CG 3.42Å; E492-Q496 PolarHBondContact O-N 3.35Å
493	K	96.9	Very high	96.1	Very high	99 Å²	99	56.2 Å²	56.2	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-66.9	-37.6	175.1	-172.7	167.4	168.1	-169.5	0	112.7	L489 I490 V491 Q496 S497 F510	L489-K493 WeakPolarHBondContact O-CB 3.34Å; L489-K493 PolarHBondContact O-N 3.3Å; I490-K493 PolarHBondContact O-N 3.49Å; V491-K493 VanDerWaalsContact C-N 3.3Å; V491-K493 PolarHBondContact O-N 2.83Å; K493-Q496 PolarHBondContact O-N 2.94Å; K493-S497 WeakPolarHBondContact O-CB 3.25Å; K493-S497 PolarHBondContact O-N 2.85Å; K493-S497 VanDerWaalsContact O-N 3.14Å; K493-S497 PolarHBondContact O-OG 2.89Å; K493-F510 HydrophobicContact CB-CE1 3.9Å; K493-F510 HydrophobicContact CB-CZ 3.74Å; K493-F510 HydrophobicContact CD-CD2 4.17Å; K493-F510 HydrophobicContact CD-CE1 3.96Å; K493-F510 HydrophobicContact CD-CE2 3.49Å; K493-F510 VanDerWaalsContact CD-CE2 3.49Å; K493-F510 HydrophobicContact CD-CZ 3.38Å; K493-F510 VanDerWaalsContact CE-CE2 3.47Å; K493-F510 HydrophobicContact CG-CD1 4.34Å; K493-F510 HydrophobicContact CG-CE1 3.65Å; K493-F510 HydrophobicContact CG-CE2 4.15Å; K493-F510 HydrophobicContact CG-CZ 3.55Å
494	I	96.6	Very high	96.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-47.8	171.5	-65.9	169.9	0	0	0	109.6	L445 R446 I490 V491 Q496 S497 F510	L445-I494 HydrophobicContact CD1-CB 4.2Å; L445-I494 HydrophobicContact CD1-CD1 4.18Å; L445-I494 HydrophobicContact CD1-CG2 3.83Å; R446-I494 VanDerWaalsContact CZ-O 3.32Å; R446-I494 PolarHBondContact NH1-O 2.89Å; R446-I494 PolarHBondContact NH2-O 2.78Å; I490-I494 HydrophobicContact CG2-CD1 3.99Å; I490-I494 HydrophobicContact CG2-CG1 4.4Å; I490-I494 WeakPolarHBondContact O-CG1 3.39Å; I490-I494 PolarHBondContact O-N 3.27Å; V491-I494 PolarHBondContact O-N 3.46Å; I494-Q496 VanDerWaalsContact C-N 3.27Å; I494-Q496 PolarHBondContact O-N 2.85Å; I494-S497 WeakPolarHBondContact O-CB 3.36Å; I494-S497 PolarHBondContact O-N 2.77Å; I494-F510 HydrophobicContact CG1-CD1 4.43Å; I494-F510 HydrophobicContact CG1-CE1 3.81Å
495	M	95.6	Very high	96.2	Very high	66 Å²	66	53.2 Å²	53.2	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-33.9	-179.7	-76.2	176.2	28.1	0	0	113.3	L445 I448 K473 V491 E492	L445-M495 HydrophobicContact CD2-SD 4.49Å; I448-M495 HydrophobicContact CD1-SD 4.23Å; K473-M495 HydrophobicContact CD-SD 4.47Å; K473-M495 VanDerWaalsContact CE-SD 3.59Å; V491-M495 HydrophobicContact CG1-SD 4.07Å; V491-M495 WeakPolarHBondContact O-CG 3.38Å; V491-M495 PolarHBondContact O-N 2.77Å; E492-M495 PolarHBondContact O-N 2.78Å; E492-M495 WeakPolarHBondContact OE2-CE 3.27Å
496	Q	95.9	Very high	96.1	Very high	160 Å²	160	56 Å²	56	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-79.7	-15.9	176	-69.3	172.7	8.9	0	0	114	E492 K493 I494	E492-Q496 WeakPolarHBondContact O-CG 3.42Å; E492-Q496 PolarHBondContact O-N 3.35Å; K493-Q496 PolarHBondContact O-N 2.94Å; I494-Q496 VanDerWaalsContact C-N 3.27Å; I494-Q496 PolarHBondContact O-N 2.85Å
497	S	95.8	Very high	96	Very high	37 Å²	37	54.9 Å²	54.9	26%	0.259	29%	0.294	S	S	.	.	S	Bend	trans	-84.9	167.9	-179.7	-59	0	0	0	0	111.7	K493 I494	K493-S497 WeakPolarHBondContact O-CB 3.25Å; K493-S497 PolarHBondContact O-N 2.85Å; K493-S497 VanDerWaalsContact O-N 3.14Å; K493-S497 PolarHBondContact O-OG 2.89Å; I494-S497 WeakPolarHBondContact O-CB 3.36Å; I494-S497 PolarHBondContact O-N 2.77Å
498	S	94.6	Very high	96	Very high	56 Å²	56	56 Å²	56	39%	0.392	31%	0.305	S	S	.	.			trans	-60.8	158.7	173.5	57.3	0	0	0	0	112.1	R446 E500 V501	R446-S498 PolarHBondContact NH2-O 2.82Å; S498-E500 VanDerWaalsContact C-N 3.26Å; S498-E500 WeakPolarHBondContact CB-OE1 3.44Å; S498-E500 PolarHBondContact O-N 3.31Å; S498-E500 PolarHBondContact OG-OE1 2.85Å; S498-V501 PolarHBondContact O-N 2.9Å; S498-V501 VanDerWaalsContact O-N 3.07Å; S498-V501 VanDerWaalsContact OG-CG2 3.25Å; S498-V501 WeakPolarHBondContact OG-CG2 3.41Å
499	S	92.9	Very high	96	Very high	81 Å²	81	58 Å²	58	57%	0.566	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.3	-169.7	-60.2	0	0	0	0	113.4	L438 R446	L438-S499 WeakPolarHBondContact CD1-O 3.35Å; R446-S499 PolarHBondContact NE-O 2.82Å
500	E	94.1	Very high	96.1	Very high	85 Å²	85	55.3 Å²	55.3	40%	0.397	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.8	-179	69.8	-73.1	169.7	0	0	114.5	S498 N512 M513	S498-E500 VanDerWaalsContact C-N 3.26Å; S498-E500 WeakPolarHBondContact CB-OE1 3.44Å; S498-E500 PolarHBondContact O-N 3.31Å; S498-E500 PolarHBondContact OG-OE1 2.85Å; E500-N512 WeakPolarHBondContact O-CA 3.26Å; E500-M513 PolarHBondContact O-N 2.99Å
501	V	97.1	Very high	96.1	Very high	30 Å²	30	56 Å²	56	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.1	-179.4	174.5	0	0	0	0	110.3	R446 S498 F510 V511	R446-V501 PolarHBondContact NH2-O 3.43Å; S498-V501 PolarHBondContact O-N 2.9Å; S498-V501 VanDerWaalsContact O-N 3.07Å; S498-V501 VanDerWaalsContact OG-CG2 3.25Å; S498-V501 WeakPolarHBondContact OG-CG2 3.41Å; V501-F510 HydrophobicContact CG1-CB 4.1Å; V501-F510 HydrophobicContact CG1-CD1 4.42Å; V501-V511 WeakPolarHBondContact CA-O 3.38Å
502	G	97.4	Very high	96.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-166.1	173.2	0	0	0	0	0	111.5	F510 V511 M513	G502-F510 CarbonylContact O-C 3.49Å; G502-F510 WeakPolarHBondContact O-CA 3.32Å; G502-V511 PolarHBondContact N-O 3.34Å; G502-V511 PolarHBondContact O-N 2.85Å; G502-M513 WeakPolarHBondContact CA-SD 3.33Å
503	Y	97.9	Very high	96	Very high	20 Å²	20	54 Å²	54	8%	0.078	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.7	-176.4	-179.1	-109.5	0	0	0	111.2	V485 I490 A505 G508 F510	V485-Y503 HydrophobicContact CG2-CE1 4.22Å; V485-Y503 WeakPolarHBondContact CG2-OH 3.4Å; I490-Y503 HydrophobicContact CD1-CD2 4.12Å; I490-Y503 HydrophobicContact CD1-CE2 3.83Å; I490-Y503 HydrophobicContact CG2-CD1 3.69Å; I490-Y503 HydrophobicContact CG2-CD2 3.99Å; I490-Y503 HydrophobicContact CG2-CE1 4.28Å; I490-Y503 HydrophobicContact CG2-CG 3.51Å; Y503-A505 HydrophobicContact CD1-CB 4.07Å; Y503-A505 HydrophobicContact CE1-CB 3.85Å; Y503-A505 PolarHBondContact O-N 3.14Å; Y503-G508 WeakPolarHBondContact CE2-O 3.35Å; Y503-F510 HydrophobicContact CD2-CD2 4.22Å; Y503-F510 HydrophobicContact CD2-CE1 4.41Å; Y503-F510 AromaticContact CD2-CE2 3.9Å; Y503-F510 HydrophobicContact CD2-CE2 3.9Å; Y503-F510 AromaticContact CD2-CZ 4Å; Y503-F510 HydrophobicContact CD2-CZ 4Å; Y503-F510 HydrophobicContact CE2-CE2 4.35Å
504	D	97.4	Very high	95.8	Very high	18 Å²	18	51.8 Å²	51.8	10%	0.096	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	102.2	169.3	-177.4	-23.3	0	0	0	108.8	M506 L507 G508 D509 V511 I518	D504-M506 PolarHBondContact O-N 2.96Å; D504-M506 WeakPolarHBondContact OD1-CA 3.42Å; D504-M506 VanDerWaalsContact OD1-CB 3.28Å; D504-M506 WeakPolarHBondContact OD1-CB 3.37Å; D504-M506 PolarHBondContact OD1-N 3.02Å; D504-L507 HydrophobicContact CB-CB 4.47Å; D504-L507 PolarHBondContact OD1-N 3.31Å; D504-L507 WeakPolarHBondContact OD2-CD1 3.37Å; D504-G508 VanDerWaalsContact O-CA 3.28Å; D504-G508 WeakPolarHBondContact O-CA 3.25Å; D504-G508 PolarHBondContact O-N 2.87Å; D504-D509 PolarHBondContact N-O 2.71Å; D504-D509 PolarHBondContact O-N 2.86Å; D504-V511 HydrophobicContact CB-CG2 3.9Å; D504-I518 HydrophobicContact CB-CD1 3.81Å
505	A	96.8	Very high	95.5	Very high	5 Å²	5	59.1 Å²	59.1	4%	0.041	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.3	-178.7	0	0	0	0	0	114.2	P57 K58 I479 A483 Y503	P57-A505 HydrophobicContact CG-CB 3.96Å; K58-A505 WeakPolarHBondContact CD-O 3.28Å; K58-A505 WeakPolarHBondContact CE-O 3.35Å; K58-A505 PolarHBondContact NZ-O 3.44Å; K58-A505 VanDerWaalsContact NZ-O 3.17Å; I479-A505 HydrophobicContact CG2-CB 3.49Å; I479-A505 VanDerWaalsContact CG2-CB 3.49Å; A483-A505 HydrophobicContact CB-CB 4.17Å; Y503-A505 HydrophobicContact CD1-CB 4.07Å; Y503-A505 HydrophobicContact CE1-CB 3.85Å; Y503-A505 PolarHBondContact O-N 3.14Å
506	M	94.2	Very high	95.4	Very high	116 Å²	116	62 Å²	62	57%	0.571	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-53.9	175.5	-173.6	59.9	174.8	0	0	109.6	P57 K58 D504	P57-M506 HydrophobicContact CB-CB 4.11Å; P57-M506 HydrophobicContact CB-SD 4.24Å; P57-M506 HydrophobicContact CG-CB 4.15Å; K58-M506 VanDerWaalsContact CE-O 3.23Å; K58-M506 WeakPolarHBondContact CE-O 3.4Å; K58-M506 PolarHBondContact NZ-O 2.81Å; D504-M506 PolarHBondContact O-N 2.96Å; D504-M506 WeakPolarHBondContact OD1-CA 3.42Å; D504-M506 VanDerWaalsContact OD1-CB 3.28Å; D504-M506 WeakPolarHBondContact OD1-CB 3.37Å; D504-M506 PolarHBondContact OD1-N 3.02Å
507	L	94.5	Very high	95.2	Very high	110 Å²	110	54.5 Å²	54.5	58%	0.576	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-31.2	-179.7	-64	-179.3	0	0	0	113.3	D504	D504-L507 HydrophobicContact CB-CB 4.47Å; D504-L507 PolarHBondContact OD1-N 3.31Å; D504-L507 WeakPolarHBondContact OD2-CD1 3.37Å
508	G	95.3	Very high	95.2	Very high	27 Å²	27	53.8 Å²	53.8	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	20.5	-179	0	0	0	0	0	114.9	Y503 D504	Y503-G508 WeakPolarHBondContact CE2-O 3.35Å; D504-G508 VanDerWaalsContact O-CA 3.28Å; D504-G508 WeakPolarHBondContact O-CA 3.25Å; D504-G508 PolarHBondContact O-N 2.87Å
509	D	96.1	Very high	95.3	Very high	104 Å²	104	51.2 Å²	51.2	56%	0.556	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.9	-173	-72.3	-36.2	0	0	0	113	D504	D504-D509 PolarHBondContact N-O 2.71Å; D504-D509 PolarHBondContact O-N 2.86Å
510	F	97.4	Very high	95.4	Very high	54 Å²	54	49.5 Å²	49.5	24%	0.237	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.2	175	-70.3	-98.1	0	0	0	110.2	I490 K493 I494 V501 G502 Y503	I490-F510 HydrophobicContact CD1-CE2 4.19Å; I490-F510 HydrophobicContact CD1-CZ 3.96Å; I490-F510 HydrophobicContact CG2-CZ 4.26Å; K493-F510 HydrophobicContact CB-CE1 3.9Å; K493-F510 HydrophobicContact CB-CZ 3.74Å; K493-F510 HydrophobicContact CD-CD2 4.17Å; K493-F510 HydrophobicContact CD-CE1 3.96Å; K493-F510 HydrophobicContact CD-CE2 3.49Å; K493-F510 VanDerWaalsContact CD-CE2 3.49Å; K493-F510 HydrophobicContact CD-CZ 3.38Å; K493-F510 VanDerWaalsContact CE-CE2 3.47Å; K493-F510 HydrophobicContact CG-CD1 4.34Å; K493-F510 HydrophobicContact CG-CE1 3.65Å; K493-F510 HydrophobicContact CG-CE2 4.15Å; K493-F510 HydrophobicContact CG-CZ 3.55Å; I494-F510 HydrophobicContact CG1-CD1 4.43Å; I494-F510 HydrophobicContact CG1-CE1 3.81Å; V501-F510 HydrophobicContact CG1-CB 4.1Å; V501-F510 HydrophobicContact CG1-CD1 4.42Å; G502-F510 CarbonylContact O-C 3.49Å; G502-F510 WeakPolarHBondContact O-CA 3.32Å; Y503-F510 HydrophobicContact CD2-CD2 4.22Å; Y503-F510 HydrophobicContact CD2-CE1 4.41Å; Y503-F510 AromaticContact CD2-CE2 3.9Å; Y503-F510 HydrophobicContact CD2-CE2 3.9Å; Y503-F510 AromaticContact CD2-CZ 4Å; Y503-F510 HydrophobicContact CD2-CZ 4Å; Y503-F510 HydrophobicContact CE2-CE2 4.35Å
511	V	97.4	Very high	95.6	Very high	29 Å²	29	45.6 Å²	45.6	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.4	-171.9	-60	0	0	0	0	111.1	V501 G502 D504 M513 K516 I518	V501-V511 WeakPolarHBondContact CA-O 3.38Å; G502-V511 PolarHBondContact N-O 3.34Å; G502-V511 PolarHBondContact O-N 2.85Å; D504-V511 HydrophobicContact CB-CG2 3.9Å; V511-M513 HydrophobicContact CG2-SD 4.36Å; V511-M513 PolarHBondContact O-N 2.98Å; V511-K516 HydrophobicContact CB-CG 4.11Å; V511-K516 HydrophobicContact CG1-CG 4.41Å; V511-K516 HydrophobicContact CG2-CB 4.1Å; V511-K516 HydrophobicContact CG2-CG 3.95Å; V511-I518 HydrophobicContact CG2-CD1 4.35Å
512	N	97.1	Very high	95.6	Very high	36 Å²	36	44.2 Å²	44.2	19%	0.193	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.1	163.6	-179.2	-33.7	0	0	0	108.9	E500 V514 E515 K516	E500-N512 WeakPolarHBondContact O-CA 3.26Å; N512-V514 PolarHBondContact O-N 3.32Å; N512-V514 PolarHBondContact OD1-N 3.49Å; N512-V514 VanDerWaalsContact OD1-N 3.13Å; N512-E515 HydrophobicContact CB-CB 3.99Å; N512-E515 HydrophobicContact CB-CG 4.13Å; N512-E515 PolarHBondContact ND2-OE1 3.02Å; N512-E515 VanDerWaalsContact ND2-OE1 3.08Å; N512-E515 PolarHBondContact OD1-N 2.96Å; N512-K516 PolarHBondContact O-N 2.93Å
513	M	95.3	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-40	-170.7	-61.8	-63.8	-80.3	0	0	112.1	L438 G439 E500 G502 V511 K516 G517 I518	L438-M513 HydrophobicContact CD2-CB 3.92Å; G439-M513 WeakPolarHBondContact O-CE 3.3Å; E500-M513 PolarHBondContact O-N 2.99Å; G502-M513 WeakPolarHBondContact CA-SD 3.33Å; V511-M513 HydrophobicContact CG2-SD 4.36Å; V511-M513 PolarHBondContact O-N 2.98Å; M513-K516 PolarHBondContact O-N 3.29Å; M513-G517 PolarHBondContact O-N 2.85Å; M513-G517 VanDerWaalsContact O-N 3.09Å; M513-I518 HydrophobicContact CE-CB 3.75Å; M513-I518 HydrophobicContact CE-CD1 4.33Å; M513-I518 HydrophobicContact CE-CG2 3.4Å; M513-I518 PolarHBondContact O-N 3.45Å; M513-I518 HydrophobicContact SD-CB 4.32Å; M513-I518 HydrophobicContact SD-CD1 4.24Å
514	V	91.8	Very high	95.5	Very high	52 Å²	52	45.5 Å²	45.5	32%	0.315	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-44.2	-178.7	-176.2	0	0	0	0	110.4	L438 N512 K516 G517 I519	L438-V514 HydrophobicContact CD2-CG2 3.56Å; N512-V514 PolarHBondContact O-N 3.32Å; N512-V514 PolarHBondContact OD1-N 3.49Å; N512-V514 VanDerWaalsContact OD1-N 3.13Å; V514-K516 PolarHBondContact O-N 3.01Å; V514-G517 PolarHBondContact O-N 2.91Å; V514-I519 HydrophobicContact CG2-CG2 4.44Å
515	E	91.8	Very high	95.5	Very high	156 Å²	156	45.3 Å²	45.3	73%	0.729	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-33.1	177.7	-71	175.2	-171.8	0	0	112.2	N512 G517	N512-E515 HydrophobicContact CB-CB 3.99Å; N512-E515 HydrophobicContact CB-CG 4.13Å; N512-E515 PolarHBondContact ND2-OE1 3.02Å; N512-E515 VanDerWaalsContact ND2-OE1 3.08Å; N512-E515 PolarHBondContact OD1-N 2.96Å; E515-G517 VanDerWaalsContact C-N 3.32Å
516	K	93.3	Very high	95.5	Very high	126 Å²	126	46.5 Å²	46.5	55%	0.548	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.9	171.6	-93	-45.2	-164	-169.9	0	115.4	V511 N512 M513 V514 I518	V511-K516 HydrophobicContact CB-CG 4.11Å; V511-K516 HydrophobicContact CG1-CG 4.41Å; V511-K516 HydrophobicContact CG2-CB 4.1Å; V511-K516 HydrophobicContact CG2-CG 3.95Å; N512-K516 PolarHBondContact O-N 2.93Å; M513-K516 PolarHBondContact O-N 3.29Å; V514-K516 PolarHBondContact O-N 3.01Å; K516-I518 VanDerWaalsContact C-N 3.31Å; K516-I518 HydrophobicContact CB-CD1 4.32Å; K516-I518 HydrophobicContact CB-CG1 4.22Å
517	G	91.4	Very high	95.6	Very high	3 Å²	3	41 Å²	41	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	23	-179.3	0	0	0	0	0	113.7	I174 M513 V514 E515 I519	I174-G517 WeakPolarHBondContact CG1-O 3.37Å; M513-G517 PolarHBondContact O-N 2.85Å; M513-G517 VanDerWaalsContact O-N 3.09Å; V514-G517 PolarHBondContact O-N 2.91Å; E515-G517 VanDerWaalsContact C-N 3.32Å; G517-I519 PolarHBondContact O-N 3.46Å
518	I	95.6	Very high	95.8	Very high	22 Å²	22	35.8 Å²	35.8	11%	0.113	18%	0.184	C	C	.	.			trans	-90.1	85.3	173.7	-50.3	174.2	0	0	0	107.9	I174 G439 D504 V511 M513 K516	I174-I518 HydrophobicContact CD1-CG1 4.39Å; G439-I518 PolarHBondContact N-O 3.43Å; D504-I518 HydrophobicContact CB-CD1 3.81Å; V511-I518 HydrophobicContact CG2-CD1 4.35Å; M513-I518 HydrophobicContact CE-CB 3.75Å; M513-I518 HydrophobicContact CE-CD1 4.33Å; M513-I518 HydrophobicContact CE-CG2 3.4Å; M513-I518 PolarHBondContact O-N 3.45Å; M513-I518 HydrophobicContact SD-CB 4.32Å; M513-I518 HydrophobicContact SD-CD1 4.24Å; K516-I518 VanDerWaalsContact C-N 3.31Å; K516-I518 HydrophobicContact CB-CD1 4.32Å; K516-I518 HydrophobicContact CB-CG1 4.22Å
519	I	95.8	Very high	95.9	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.6	-173.8	51.3	171.7	0	0	0	109.9	Q170 V171 I436 V437 V514 G517	Q170-I519 HydrophobicContact CB-CD1 4Å; Q170-I519 HydrophobicContact CB-CG1 4.31Å; V171-I519 HydrophobicContact CG2-CD1 3.63Å; V171-I519 HydrophobicContact CG2-CG1 3.93Å; I436-I519 HydrophobicContact CD1-CB 4.48Å; I436-I519 HydrophobicContact CD1-CD1 3.54Å; I436-I519 HydrophobicContact CD1-CG2 4.47Å; I436-I519 HydrophobicContact CG2-CD1 4.41Å; V437-I519 WeakPolarHBondContact O-CA 3.39Å; V514-I519 HydrophobicContact CG2-CG2 4.44Å; G517-I519 PolarHBondContact O-N 3.46Å
520	D	96.6	Very high	96	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.1	178.9	-67.1	-26.3	0	0	0	109.7	I436 V437 G439 G440 T522 V525	I436-D520 WeakPolarHBondContact CA-O 3.01Å; V437-D520 WeakPolarHBondContact CG2-O 3.49Å; V437-D520 PolarHBondContact N-O 3.3Å; V437-D520 PolarHBondContact O-N 3.42Å; G439-D520 WeakPolarHBondContact CA-OD2 3.39Å; G440-D520 PolarHBondContact N-OD2 3.19Å; D520-T522 PolarHBondContact O-N 3.38Å; D520-V525 HydrophobicContact CB-CG2 3.93Å
521	P	97.1	Very high	95.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.4	174.4	-18.6	30.8	0	0	0	111.9	V171 A427 A430 A431 K523 V524 V525	V171-P521 HydrophobicContact CG1-CG 3.93Å; A427-P521 HydrophobicContact CB-CG 3.98Å; A427-P521 WeakPolarHBondContact O-CG 3.39Å; A430-P521 HydrophobicContact CB-CB 3.92Å; A430-P521 HydrophobicContact CB-CG 4.45Å; A431-P521 HydrophobicContact CB-CB 4.08Å; A431-P521 HydrophobicContact CB-CG 4.13Å; P521-K523 VanDerWaalsContact C-N 3.27Å; P521-K523 PolarHBondContact O-N 3.22Å; P521-V524 HydrophobicContact CB-CB 4.2Å; P521-V524 HydrophobicContact CB-CG2 3.85Å; P521-V524 HydrophobicContact CG-CB 4.47Å; P521-V524 HydrophobicContact CG-CG2 3.95Å; P521-V524 PolarHBondContact O-N 3.18Å; P521-V525 PolarHBondContact O-N 2.95Å
522	T	97.6	Very high	95.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-39.9	180	-56.1	0	0	0	0	111.9	S159 G435 V437 D520 V524 V525 R526	S159-T522 WeakPolarHBondContact CB-OG1 3.34Å; S159-T522 PolarHBondContact OG-OG1 2.88Å; G435-T522 PolarHBondContact O-N 3.49Å; G435-T522 PolarHBondContact O-OG1 2.69Å; V437-T522 HydrophobicContact CG1-CG2 4.36Å; V437-T522 WeakPolarHBondContact CG1-OG1 3.25Å; D520-T522 PolarHBondContact O-N 3.38Å; T522-V524 PolarHBondContact O-N 2.9Å; T522-V525 PolarHBondContact O-N 2.92Å; T522-R526 VanDerWaalsContact O-CB 3.27Å; T522-R526 WeakPolarHBondContact O-CB 3.17Å; T522-R526 PolarHBondContact O-N 3.27Å
523	K	96	Very high	95.9	Very high	37 Å²	37	27.5 Å²	27.5	16%	0.161	14%	0.135	C	C	.	.	H	α-helix	trans	-56.4	-50.2	176.8	-175.5	176.6	-173.3	-174.7	0	111	E108 A430 E433 E434 P521 V525 R526 T527	E108-K523 WeakPolarHBondContact O-CE 3.37Å; A430-K523 HydrophobicContact CB-CB 4.11Å; A430-K523 HydrophobicContact CB-CD 4.05Å; E433-K523 IonicContact OE2-NZ 2.76Å; E433-K523 PolarHBondContact OE2-NZ 3.46Å; E434-K523 HydrophobicContact CB-CB 4.01Å; E434-K523 HydrophobicContact CG-CB 4.01Å; E434-K523 HydrophobicContact CG-CG 4.46Å; E434-K523 WeakPolarHBondContact OE1-CG 3.49Å; P521-K523 VanDerWaalsContact C-N 3.27Å; P521-K523 PolarHBondContact O-N 3.22Å; K523-V525 PolarHBondContact O-N 2.56Å; K523-R526 PolarHBondContact O-N 3.1Å; K523-T527 HydrophobicContact CG-CG2 4.33Å; K523-T527 VanDerWaalsContact O-CG2 3.3Å; K523-T527 WeakPolarHBondContact O-CG2 3.48Å; K523-T527 PolarHBondContact O-N 3.49Å; K523-T527 PolarHBondContact O-OG1 3.4Å
524	V	96.4	Very high	96	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-46.6	-179.3	173.8	0	0	0	0	111.7	A109 D111 A430 P521 T522 R526 T527 A528	A109-V524 HydrophobicContact CB-CG2 3.96Å; D111-V524 HydrophobicContact CB-CG1 4.21Å; D111-V524 HydrophobicContact CB-CG2 4.08Å; A430-V524 HydrophobicContact CB-CG2 4.13Å; P521-V524 HydrophobicContact CB-CB 4.2Å; P521-V524 HydrophobicContact CB-CG2 3.85Å; P521-V524 HydrophobicContact CG-CB 4.47Å; P521-V524 HydrophobicContact CG-CG2 3.95Å; P521-V524 PolarHBondContact O-N 3.18Å; T522-V524 PolarHBondContact O-N 2.9Å; V524-R526 VanDerWaalsContact C-N 3.34Å; V524-R526 PolarHBondContact O-N 3Å; V524-T527 PolarHBondContact O-OG1 3.1Å; V524-T527 VanDerWaalsContact O-OG1 3.1Å; V524-A528 VanDerWaalsContact O-CB 3.24Å; V524-A528 WeakPolarHBondContact O-CB 3.42Å; V524-A528 PolarHBondContact O-N 2.73Å
525	V	97.8	Very high	96.2	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.085	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-40.3	-179.7	179.5	0	0	0	0	111.1	L155 V437 L444 D520 P521 T522 K523 L529	L155-V525 HydrophobicContact CD1-CG1 3.95Å; L155-V525 HydrophobicContact CD2-CG1 4.14Å; V437-V525 HydrophobicContact CG2-CG2 4.03Å; L444-V525 HydrophobicContact CD1-CG1 4.34Å; L444-V525 HydrophobicContact CD2-CG1 3.67Å; L444-V525 HydrophobicContact CG-CG1 3.84Å; D520-V525 HydrophobicContact CB-CG2 3.93Å; P521-V525 PolarHBondContact O-N 2.95Å; T522-V525 PolarHBondContact O-N 2.92Å; K523-V525 PolarHBondContact O-N 2.56Å; V525-L529 PolarHBondContact O-N 2.77Å
526	R	97.3	Very high	96.4	Very high	30 Å²	30	20.1 Å²	20.1	11%	0.113	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-50	178.4	176.9	-176.7	67.6	66.4	-2.3	111.8	E108 I152 E434 T522 K523 V524 L529 L530	E108-R526 IonicContact OE1-NH1 3.46Å; E108-R526 IonicContact OE1-NH2 3.41Å; I152-R526 HydrophobicContact CB-CG 4.37Å; I152-R526 HydrophobicContact CD1-CG 3.89Å; I152-R526 HydrophobicContact CG1-CG 3.88Å; I152-R526 HydrophobicContact CG2-CG 3.7Å; E434-R526 IonicContact OE1-CZ 3.02Å; E434-R526 IonicContact OE1-NE 2.77Å; E434-R526 IonicContact OE1-NH2 2.98Å; E434-R526 PolarHBondContact OE1-NH2 3.04Å; E434-R526 IonicContact OE2-CZ 3.33Å; E434-R526 IonicContact OE2-NE 2.75Å; E434-R526 PolarHBondContact OE2-NE 3.16Å; E434-R526 VanDerWaalsContact OE2-NE 3.11Å; E434-R526 IonicContact OE2-NH2 3.77Å; T522-R526 VanDerWaalsContact O-CB 3.27Å; T522-R526 WeakPolarHBondContact O-CB 3.17Å; T522-R526 PolarHBondContact O-N 3.27Å; K523-R526 PolarHBondContact O-N 3.1Å; V524-R526 VanDerWaalsContact C-N 3.34Å; V524-R526 PolarHBondContact O-N 3Å; R526-L529 PolarHBondContact O-N 3.03Å; R526-L530 WeakPolarHBondContact O-CB 3.47Å; R526-L530 PolarHBondContact O-N 3.38Å
527	T	96.5	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.4	-46.7	-177.8	52.2	0	0	0	0	110.8	E108 A109 K523 V524 L529 L530 D531	E108-T527 HydrophobicContact CB-CG2 4.26Å; E108-T527 HydrophobicContact CG-CG2 3.8Å; E108-T527 VanDerWaalsContact OE1-CG2 3.27Å; E108-T527 WeakPolarHBondContact OE1-CG2 3.36Å; A109-T527 HydrophobicContact CB-CG2 4.35Å; A109-T527 WeakPolarHBondContact CB-OG1 3.36Å; K523-T527 HydrophobicContact CG-CG2 4.33Å; K523-T527 VanDerWaalsContact O-CG2 3.3Å; K523-T527 WeakPolarHBondContact O-CG2 3.48Å; K523-T527 PolarHBondContact O-N 3.49Å; K523-T527 PolarHBondContact O-OG1 3.4Å; V524-T527 PolarHBondContact O-OG1 3.1Å; V524-T527 VanDerWaalsContact O-OG1 3.1Å; T527-L529 VanDerWaalsContact C-N 3.28Å; T527-L529 PolarHBondContact O-N 3.43Å; T527-L530 PolarHBondContact O-N 3.05Å; T527-L530 VanDerWaalsContact O-N 3.12Å; T527-D531 WeakPolarHBondContact O-CB 3.45Å; T527-D531 PolarHBondContact O-N 3.4Å
528	A	97.5	Very high	96.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-56.1	-40.7	177.3	0	0	0	0	0	112.8	T105 T115 A116 V524 A532	T105-A528 HydrophobicContact CG2-CB 4.08Å; T115-A528 HydrophobicContact CG2-CB 4.27Å; A116-A528 HydrophobicContact CB-CB 3.9Å; V524-A528 VanDerWaalsContact O-CB 3.24Å; V524-A528 WeakPolarHBondContact O-CB 3.42Å; V524-A528 PolarHBondContact O-N 2.73Å; A528-A532 WeakPolarHBondContact O-CB 3.34Å; A528-A532 PolarHBondContact O-N 3.39Å
529	L	98.2	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.1	-44.6	176.2	179.1	63.9	0	0	0	112.2	L119 V148 V151 L444 L472 V525 R526 T527 A533	L119-L529 HydrophobicContact CD1-CB 4.38Å; L119-L529 HydrophobicContact CD1-CD1 4.27Å; V148-L529 HydrophobicContact CG1-CD2 4.49Å; V148-L529 HydrophobicContact CG1-CG 4.35Å; V148-L529 HydrophobicContact CG2-CG 4.4Å; V151-L529 HydrophobicContact CB-CD2 4.03Å; V151-L529 HydrophobicContact CG1-CD2 3.43Å; V151-L529 VanDerWaalsContact CG1-CD2 3.43Å; L444-L529 HydrophobicContact CD2-CD2 4.16Å; L472-L529 HydrophobicContact CD2-CD1 4.29Å; L472-L529 HydrophobicContact CD2-CD2 4.19Å; V525-L529 PolarHBondContact O-N 2.77Å; R526-L529 PolarHBondContact O-N 3.03Å; T527-L529 VanDerWaalsContact C-N 3.28Å; T527-L529 PolarHBondContact O-N 3.43Å; L529-A533 VanDerWaalsContact O-CB 3.22Å; L529-A533 WeakPolarHBondContact O-CB 3.19Å; L529-A533 PolarHBondContact O-N 3.29Å
530	L	97.8	Very high	96.5	Very high	55 Å²	55	18.2 Å²	18.2	29%	0.288	10%	0.1	S	C	.	.	H	α-helix	trans	-63.2	-49.4	-177.1	-177.5	62.1	0	0	0	111.5	V148 I152 R526 T527 A533 G534	V148-L530 HydrophobicContact CG1-CD1 4.03Å; I152-L530 HydrophobicContact CD1-CB 4.14Å; I152-L530 HydrophobicContact CD1-CD1 4.11Å; R526-L530 WeakPolarHBondContact O-CB 3.47Å; R526-L530 PolarHBondContact O-N 3.38Å; T527-L530 PolarHBondContact O-N 3.05Å; T527-L530 VanDerWaalsContact O-N 3.12Å; L530-A533 PolarHBondContact O-N 2.99Å; L530-G534 PolarHBondContact O-N 2.9Å
531	D	96.6	Very high	96.4	Very high	22 Å²	22	18.1 Å²	18.1	12%	0.118	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-47.9	-179.8	-67.6	-30	0	0	0	111.3	V101 T105 T527 A533 G534 V535	V101-D531 HydrophobicContact CG1-CB 4.34Å; T105-D531 VanDerWaalsContact CA-OD2 3.23Å; T105-D531 WeakPolarHBondContact CA-OD2 3.47Å; T105-D531 PolarHBondContact N-OD2 3.2Å; T105-D531 WeakPolarHBondContact OG1-CB 3.34Å; T105-D531 PolarHBondContact OG1-OD2 3.49Å; T527-D531 WeakPolarHBondContact O-CB 3.45Å; T527-D531 PolarHBondContact O-N 3.4Å; D531-A533 VanDerWaalsContact C-N 3.35Å; D531-A533 PolarHBondContact O-N 3.41Å; D531-G534 PolarHBondContact O-N 3.07Å; D531-V535 PolarHBondContact O-N 3.13Å
532	A	97.4	Very high	96.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-48.6	178.4	0	0	0	0	0	111.5	V101 A116 L119 A120 A528 A536	V101-A532 HydrophobicContact CG1-CB 4.12Å; A116-A532 VanDerWaalsContact O-CB 3.3Å; A116-A532 WeakPolarHBondContact O-CB 3.46Å; L119-A532 HydrophobicContact CB-CB 3.71Å; A120-A532 HydrophobicContact CB-CB 3.96Å; A528-A532 WeakPolarHBondContact O-CB 3.34Å; A528-A532 PolarHBondContact O-N 3.39Å; A532-A536 WeakPolarHBondContact O-CB 3.38Å; A532-A536 PolarHBondContact O-N 3.45Å
533	A	97.4	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.6	-37.5	179.3	0	0	0	0	0	112.3	I123 V144 M145 V148 L529 L530 D531 S537	I123-A533 HydrophobicContact CD1-CB 3.68Å; V144-A533 HydrophobicContact CG1-CB 4.16Å; M145-A533 HydrophobicContact CE-CB 3.52Å; M145-A533 WeakPolarHBondContact CE-O 3.43Å; V148-A533 HydrophobicContact CG2-CB 3.5Å; L529-A533 VanDerWaalsContact O-CB 3.22Å; L529-A533 WeakPolarHBondContact O-CB 3.19Å; L529-A533 PolarHBondContact O-N 3.29Å; L530-A533 PolarHBondContact O-N 2.99Å; D531-A533 VanDerWaalsContact C-N 3.35Å; D531-A533 PolarHBondContact O-N 3.41Å; A533-S537 WeakPolarHBondContact O-CB 3.4Å; A533-S537 PolarHBondContact O-N 2.9Å; A533-S537 PolarHBondContact O-OG 3.09Å
534	G	96.4	Very high	95.9	Very high	21 Å²	21	25.4 Å²	25.4	22%	0.216	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-48.8	179	0	0	0	0	0	112.3	R141 L530 D531	R141-G534 PolarHBondContact NH1-O 2.88Å; L530-G534 PolarHBondContact O-N 2.9Å; D531-G534 PolarHBondContact O-N 3.07Å
535	V	95.6	Very high	95.9	Very high	28 Å²	28	25.6 Å²	25.6	17%	0.17	15%	0.145	C	C	.	.	H	α-helix	trans	-79.1	-47.4	179.9	-179.3	0	0	0	0	111.6	L97 V101 D531 S537 L538 L539	L97-V535 HydrophobicContact CB-CG1 4.09Å; L97-V535 HydrophobicContact CD2-CG1 4.3Å; L97-V535 WeakPolarHBondContact O-CG1 3.46Å; V101-V535 HydrophobicContact CG2-CB 3.4Å; V101-V535 HydrophobicContact CG2-CG1 3.82Å; V101-V535 HydrophobicContact CG2-CG2 3.59Å; D531-V535 PolarHBondContact O-N 3.13Å; V535-S537 PolarHBondContact O-N 3.29Å; V535-L538 WeakPolarHBondContact O-CB 3.28Å; V535-L538 PolarHBondContact O-N 2.83Å; V535-L538 VanDerWaalsContact O-N 3.1Å; V535-L539 PolarHBondContact O-N 3.4Å
536	A	95.9	Very high	95.8	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-41.2	-175.1	0	0	0	0	0	112.2	A120 I123 A124 A532 L538 L539 T540	A120-A536 HydrophobicContact CB-CB 4.29Å; A120-A536 WeakPolarHBondContact O-CB 3.35Å; I123-A536 HydrophobicContact CB-CB 3.73Å; I123-A536 HydrophobicContact CG2-CB 3.68Å; A124-A536 HydrophobicContact CB-CB 4.37Å; A532-A536 WeakPolarHBondContact O-CB 3.38Å; A532-A536 PolarHBondContact O-N 3.45Å; A536-L538 PolarHBondContact O-N 3.11Å; A536-L539 WeakPolarHBondContact O-CB 3.33Å; A536-L539 PolarHBondContact O-N 3.25Å; A536-T540 VanDerWaalsContact O-CG2 3.29Å; A536-T540 WeakPolarHBondContact O-CG2 3.45Å; A536-T540 PolarHBondContact O-N 3.15Å
537	S	95.5	Very high	95.6	Very high	1 Å²	1	28 Å²	28	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-67.9	-26.3	176.3	66.7	0	0	0	0	112.3	R141 A533 V535 T540 T541	R141-S537 PolarHBondContact NH1-OG 3.24Å; A533-S537 WeakPolarHBondContact O-CB 3.4Å; A533-S537 PolarHBondContact O-N 2.9Å; A533-S537 PolarHBondContact O-OG 3.09Å; V535-S537 PolarHBondContact O-N 3.29Å; S537-T540 PolarHBondContact O-OG1 3.46Å; S537-T541 WeakPolarHBondContact O-CG2 3.19Å
538	L	95.3	Very high	95.3	Very high	98 Å²	98	32.2 Å²	32.2	51%	0.513	18%	0.183	S	C	.	.	H	α-helix	trans	-71.4	-46.7	172.9	-175.9	60.5	0	0	0	110.4	V535 A536 T540 T541	V535-L538 WeakPolarHBondContact O-CB 3.28Å; V535-L538 PolarHBondContact O-N 2.83Å; V535-L538 VanDerWaalsContact O-N 3.1Å; A536-L538 PolarHBondContact O-N 3.11Å; L538-T540 PolarHBondContact O-N 2.81Å; L538-T541 WeakPolarHBondContact O-CB 3.29Å; L538-T541 PolarHBondContact O-N 2.96Å; L538-T541 PolarHBondContact O-OG1 3.17Å
539	L	94.1	Very high	94.7	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	21%	0.205	C	C	.	.	H	α-helix	trans	-53.7	-40.2	174.8	172.6	55	0	0	0	111.4	M40 V44 L97 A124 F128 V535 A536 T541 A542	M40-L539 HydrophobicContact CE-CD1 4.01Å; M40-L539 HydrophobicContact SD-CD1 3.71Å; V44-L539 HydrophobicContact CG2-CD2 3.91Å; L97-L539 HydrophobicContact CD1-CB 4.21Å; L97-L539 HydrophobicContact CD1-CD1 3.57Å; L97-L539 HydrophobicContact CD1-CD2 4.1Å; L97-L539 HydrophobicContact CD1-CG 4.15Å; A124-L539 HydrophobicContact CB-CD2 4.4Å; F128-L539 HydrophobicContact CE2-CG 4.39Å; F128-L539 HydrophobicContact CZ-CD1 3.95Å; F128-L539 HydrophobicContact CZ-CD2 4.36Å; F128-L539 HydrophobicContact CZ-CG 3.75Å; V535-L539 PolarHBondContact O-N 3.4Å; A536-L539 WeakPolarHBondContact O-CB 3.33Å; A536-L539 PolarHBondContact O-N 3.25Å; L539-T541 PolarHBondContact O-N 2.76Å; L539-T541 VanDerWaalsContact O-N 3.17Å; L539-A542 WeakPolarHBondContact O-CB 3.29Å; L539-A542 PolarHBondContact O-N 3.44Å; L539-A542 VanDerWaalsContact O-N 3.14Å
540	T	94	Very high	93.6	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-24.4	179	63.4	0	0	0	0	113.6	F128 I131 A536 S537 L538 A542	F128-T540 HydrophobicContact CD1-CG2 4.25Å; F128-T540 HydrophobicContact CE1-CG2 4.41Å; I131-T540 WeakPolarHBondContact CD1-O 3.49Å; A536-T540 VanDerWaalsContact O-CG2 3.29Å; A536-T540 WeakPolarHBondContact O-CG2 3.45Å; A536-T540 PolarHBondContact O-N 3.15Å; S537-T540 PolarHBondContact O-OG1 3.46Å; L538-T540 PolarHBondContact O-N 2.81Å; T540-A542 PolarHBondContact O-N 3.05Å
541	T	94.4	Very high	92.4	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.264	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.9	178.5	69.4	0	0	0	0	114.8	P137 R141 S537 L538 L539 E543	P137-T541 HydrophobicContact CB-CG2 3.99Å; R141-T541 HydrophobicContact CB-CG2 4.41Å; S537-T541 WeakPolarHBondContact O-CG2 3.19Å; L538-T541 WeakPolarHBondContact O-CB 3.29Å; L538-T541 PolarHBondContact O-N 2.96Å; L538-T541 PolarHBondContact O-OG1 3.17Å; L539-T541 PolarHBondContact O-N 2.76Å; L539-T541 VanDerWaalsContact O-N 3.17Å; T541-E543 PolarHBondContact O-N 2.85Å
542	A	92.9	Very high	90.7	Very high	26 Å²	26	53.1 Å²	53.1	22%	0.215	29%	0.287	C	S	.	.			trans	-69.4	125.3	-176.7	0	0	0	0	0	112.3	R37 M40 L539 T540	R37-A542 PolarHBondContact NH1-O 3.46Å; M40-A542 HydrophobicContact CE-CB 4.08Å; L539-A542 WeakPolarHBondContact O-CB 3.29Å; L539-A542 PolarHBondContact O-N 3.44Å; L539-A542 VanDerWaalsContact O-N 3.14Å; T540-A542 PolarHBondContact O-N 3.05Å
543	E	92.6	Very high	88.4	Confident	101 Å²	101	62.1 Å²	62.1	47%	0.472	33%	0.329	S	S	.	.			trans	-108.6	-24.5	173.8	-169.3	57.6	-148.2	0	0	112.6	F32 G33 R37 T541	F32-E543 CarbonylContact C-O 3.58Å; F32-E543 WeakPolarHBondContact CA-O 3.44Å; G33-E543 WeakPolarHBondContact CA-OE1 3.35Å; G33-E543 PolarHBondContact N-O 3.1Å; R37-E543 IonicContact CZ-OE2 2.87Å; R37-E543 IonicContact NH1-OE2 3.07Å; R37-E543 PolarHBondContact NH1-OE2 3.35Å; R37-E543 IonicContact NH2-OE2 3.05Å; T541-E543 PolarHBondContact O-N 2.85Å
544	V	94.9	Very high	85.8	Confident	67 Å²	67	71.2 Å²	71.2	41%	0.406	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.3	-179.6	-171.6	0	0	0	0	109.4	V30 K31 F32 V546	V30-V544 HydrophobicContact CG1-CG1 3.44Å; V30-V544 VanDerWaalsContact CG1-CG1 3.44Å; K31-V544 WeakPolarHBondContact O-CA 3.21Å; F32-V544 HydrophobicContact CD1-CB 4.27Å; F32-V544 HydrophobicContact CD1-CG1 3.99Å; F32-V544 HydrophobicContact CD1-CG2 3.41Å; F32-V544 VanDerWaalsContact CD1-CG2 3.41Å; F32-V544 HydrophobicContact CE1-CB 4.32Å; F32-V544 HydrophobicContact CE1-CG1 3.74Å; F32-V544 HydrophobicContact CE1-CG2 3.57Å; F32-V544 HydrophobicContact CG-CG1 4.5Å; F32-V544 HydrophobicContact CG-CG2 4.39Å; F32-V544 HydrophobicContact CZ-CG1 4.08Å; V544-V546 HydrophobicContact CG1-CG2 4.48Å
545	V	95.3	Very high	83.2	Confident	12 Å²	12	77.2 Å²	77.2	7%	0.073	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.1	175.5	-175.9	0	0	0	0	109.1	V30 K31 A36 M40 Y90 I93 T547	V30-V545 WeakPolarHBondContact CA-O 3.23Å; K31-V545 PolarHBondContact N-O 2.87Å; K31-V545 PolarHBondContact O-N 2.9Å; A36-V545 HydrophobicContact CB-CB 4.25Å; A36-V545 HydrophobicContact CB-CG2 3.84Å; M40-V545 HydrophobicContact CE-CG2 3.62Å; M40-V545 HydrophobicContact SD-CG2 3.57Å; M40-V545 VanDerWaalsContact SD-CG2 3.57Å; Y90-V545 HydrophobicContact CD1-CB 3.94Å; Y90-V545 HydrophobicContact CD1-CG1 3.61Å; Y90-V545 HydrophobicContact CE1-CB 3.85Å; Y90-V545 HydrophobicContact CE1-CG1 3.74Å; I93-V545 HydrophobicContact CD1-CG1 3.54Å; V545-T547 HydrophobicContact CG1-CG2 4.06Å
546	V	95.4	Very high	80.8	Confident	84 Å²	84	81.5 Å²	81.5	51%	0.509	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123	-179.4	-177.5	0	0	0	0	108.5	K28 D29 V30 V544	K28-V546 HydrophobicContact CB-CG1 3.71Å; K28-V546 HydrophobicContact CD-CG1 4.39Å; K28-V546 HydrophobicContact CG-CG1 4Å; D29-V546 CarbonylContact O-C 3.58Å; D29-V546 WeakPolarHBondContact O-CA 3.29Å; V30-V546 HydrophobicContact CG1-CG2 4.18Å; V30-V546 HydrophobicContact CG2-CG1 4.26Å; V30-V546 HydrophobicContact CG2-CG2 4.13Å; V544-V546 HydrophobicContact CG1-CG2 4.48Å
547	T	93.8	Very high	78.4	Confident	11 Å²	11	84.5 Å²	84.5	7%	0.067	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.4	-178.3	66.7	0	0	0	0	111.4	K28 D29 K89 Y90 I93 V545	K28-T547 CarbonylContact C-O 3.55Å; K28-T547 WeakPolarHBondContact CA-O 3.43Å; K28-T547 WeakPolarHBondContact CB-O 3.42Å; D29-T547 PolarHBondContact N-O 3.33Å; D29-T547 PolarHBondContact O-N 2.93Å; K89-T547 HydrophobicContact CB-CG2 3.8Å; Y90-T547 HydrophobicContact CD1-CG2 3.82Å; Y90-T547 HydrophobicContact CD2-CG2 4.42Å; Y90-T547 HydrophobicContact CE1-CG2 3.57Å; Y90-T547 HydrophobicContact CE2-CG2 4.21Å; Y90-T547 HydrophobicContact CG-CG2 4.23Å; Y90-T547 PolarHBondContact OH-OG1 3.36Å; I93-T547 HydrophobicContact CD1-CG2 3.66Å; V545-T547 HydrophobicContact CG1-CG2 4.06Å
548	E	90.9	Very high	75.9	Confident	88 Å²	88	93.7 Å²	93.7	41%	0.411	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.6	171.6	-68.1	-168.4	159.6	0	0	110.9	K28	K28-E548 HydrophobicContact CD-CG 3.98Å; K28-E548 IonicContact NZ-OE1 3.06Å; K28-E548 PolarHBondContact NZ-OE1 3.39Å
549	I	84.8	Confident	73.1	Confident	92 Å²	92	92.8 Å²	92.8	47%	0.472	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-65.3	127.5	173.5	-64.1	-178.3	0	0	0	108.8	A27 D29 K551	A27-I549 HydrophobicContact CB-CD1 3.61Å; A27-I549 HydrophobicContact CB-CG1 4.38Å; A27-I549 WeakPolarHBondContact O-CG1 3.5Å; A27-I549 PolarHBondContact O-N 3.4Å; D29-I549 HydrophobicContact CB-CG1 4.19Å; I549-K551 PolarHBondContact O-N 2.87Å
550	P	75.3	Confident	70.6	Confident	96 Å²	96	95.9 Å²	95.9	62%	0.623	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-56.6	135.6	176.6	-21.9	31.6	0	0	0	111
551	K	71.7	Confident	68	Low	148 Å²	148	105 Å²	105	64%	0.643	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-74.2	135.5	169.6	-65.9	178.2	-175.2	168.9	0	108.6	I549 E553	I549-K551 PolarHBondContact O-N 2.87Å; K551-E553 PolarHBondContact O-N 3.23Å
552	E	60.2	Low	65.1	Low	182 Å²	182	106.6 Å²	106.6	85%	0.85	62%	0.619	S	S	*	*			trans	-68	114.8	152.6	-71.1	-176.7	165.4	0	0	106.8	K554	E552-K554 PolarHBondContact O-N 3.44Å
553	E	49.6	Very low	62.3	Low	189 Å²	189	109.8 Å²	109.8	88%	0.883	65%	0.654	S	S	*	*			trans	-65.2	102.9	168.6	-73.6	-174.1	162.8	0	0	107.6	K551 D555	K551-E553 PolarHBondContact O-N 3.23Å; E553-D555 PolarHBondContact O-N 3.18Å; E553-D555 VanDerWaalsContact O-N 3.09Å
554	K	42.4	Very low	59.8	Low	191 Å²	191	114.2 Å²	114.2	83%	0.83	68%	0.678	S	S	*	*			trans	-68.3	105	158.5	-75.2	-172.4	178.2	-178.7	0	106.1	E552	E552-K554 PolarHBondContact O-N 3.44Å
555	D	41.9	Very low	56.9	Low	146 Å²	146	114.8 Å²	114.8	78%	0.781	70%	0.697	S	S	*	*			trans	-39.4	124.5	165.2	-153.4	-7.6	0	0	0	108.4	E553 G557	E553-D555 PolarHBondContact O-N 3.18Å; E553-D555 VanDerWaalsContact O-N 3.09Å; D555-G557 PolarHBondContact O-N 3.06Å
556	P	45.8	Very low	54.2	Low	118 Å²	118	118.5 Å²	118.5	77%	0.766	74%	0.737	S	S	*	*			trans	-69.8	81.3	176.5	23.6	-24.6	0	0	0	108.4	M558	P556-M558 PolarHBondContact O-N 3.2Å
557	G	44.8	Very low	51.3	Low	67 Å²	67	118.4 Å²	118.4	69%	0.691	75%	0.753	S	S	*	*			trans	-51.7	124.2	170.3	0	0	0	0	0	108.9	D555 G559	D555-G557 PolarHBondContact O-N 3.06Å; G557-G559 PolarHBondContact O-N 3.45Å
558	M	43.8	Very low	48.8	Very low	194 Å²	194	127.5 Å²	127.5	96%	0.956	80%	0.798	S	S	*	*			trans	-44.7	103.7	178.7	-72.2	-158.3	-168.7	0	0	111.7	P556 G560	P556-M558 PolarHBondContact O-N 3.2Å; M558-G560 VanDerWaalsContact C-N 3.29Å; M558-G560 PolarHBondContact O-N 3.32Å
559	G	36.7	Very low	46.2	Very low	79 Å²	79	127 Å²	127	81%	0.814	82%	0.816	S	S	*	*			trans	-75	84.3	161.1	0	0	0	0	0	109	G557 M561	G557-G559 PolarHBondContact O-N 3.45Å; G559-M561 PolarHBondContact O-N 3.45Å; G559-M561 VanDerWaalsContact O-N 3.11Å
560	G	42.2	Very low	43.9	Very low	77 Å²	77	126.7 Å²	126.7	79%	0.794	84%	0.835	S	S	*	*			trans	-67.7	101.5	170.1	0	0	0	0	0	110.7	M558	M558-G560 VanDerWaalsContact C-N 3.29Å; M558-G560 PolarHBondContact O-N 3.32Å
561	M	39.3	Very low	41.9	Very low	194 Å²	194	125.9 Å²	125.9	96%	0.956	84%	0.844	S	S	*	*			trans	-145.6	121.2	164.2	-128.7	-176.7	-174.9	0	0	109	G559	G559-M561 PolarHBondContact O-N 3.45Å; G559-M561 VanDerWaalsContact O-N 3.11Å
562	G	33.2	Very low	40.2	Very low	77 Å²	77	127 Å²	127	79%	0.794	85%	0.854	S	S	*	*			trans	144.3	43.9	164.3	0	0	0	0	0	117.8	M564	G562-M564 PolarHBondContact O-N 3.5Å
563	G	33	Very low	39.2	Very low	92 Å²	92	131.4 Å²	131.4	95%	0.948	87%	0.871	S	S	*	*			trans	-89.9	77.3	164.1	0	0	0	0	0	111.1
564	M	40.9	Very low	38.7	Very low	195 Å²	195	128.6 Å²	128.6	96%	0.961	87%	0.87	S	S	*	*			trans	-126.6	97	170.1	-160.6	163.2	177.3	0	0	108	G562	G562-M564 PolarHBondContact O-N 3.5Å
565	G	34.4	Very low	38.5	Very low	79 Å²	79	125.3 Å²	125.3	81%	0.814	87%	0.872	S	S	*	*			trans	-140.7	109.9	175.4	0	0	0	0	0	109
566	G	37.9	Very low	38.3	Very low	89 Å²	89	124.1 Å²	124.1	92%	0.918	88%	0.878	S	S	*	*			trans	-79.5	172	173.7	0	0	0	0	0	112.5
567	G	35.4	Very low	37.8	Very low	82 Å²	82	124.5 Å²	124.5	85%	0.845	88%	0.884	S	S	*	*			trans	163	81.8	171.3	0	0	0	0	0	113.3
568	M	41.2	Very low	37.4	Very low	203 Å²	203	128.1 Å²	128.1	100%	1	90%	0.896	S	S	*	*			trans	-91.9	130.4	168.7	-169.1	171.6	168	0	0	108.2
569	G	36.1	Very low	37	Very low	77 Å²	77	123.7 Å²	123.7	79%	0.794	89%	0.892	S	S	*	*			trans	144.7	117.9	173.8	0	0	0	0	0	109.9
570	G	35.3	Very low	37	Very low	85 Å²	85	126.9 Å²	126.9	88%	0.876	90%	0.898	S	S	*	*			cis	116.7	106.4	19.7	0	0	0	0	0	108.9
571	G	34	Very low	36.6	Very low	79 Å²	79	130.7 Å²	130.7	81%	0.814	91%	0.906	S	S	*	*			trans	98.5	114.9	152.2	0	0	0	0	0	118.4
572	M	36.8	Very low	36.4	Very low	173 Å²	173	125.4 Å²	125.4	85%	0.852	90%	0.902	S	S	*	*			trans	-26.9	131	150.8	-70.4	148.9	143.4	0	0	114.5
573	F	38.1	Very low	36.6	Very low	274 Å²	274	129.8 Å²	129.8	100%	1.202	91%	0.911	S	S	*	*				-175.2	0	89.8	-98.7	-78.8	0	0	0	109.7

Retrieved 573 of 573 residues in 727.8 ms (Link to these results)

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