A0A087XP95_POEFO Loading...

aldehyde dehydrogenase (NAD(+))

AlphaFold DB , UniProt , Accession A0A087XP95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	28	Very low	245 Å²	245	164.2 Å²	164.2	100%	1.207	87%	0.872	S	S	*	*				0	91.8	0	-79.5	177.9	179.6	0	0	108.5
2	L	28.8	Very low	27.9	Very low	165 Å²	165	158.5 Å²	158.5	86%	0.864	86%	0.856	S	S	*	*			trans	-153.5	115.8	171.7	-119.1	106.9	0	0	0	106.1
3	R	26.7	Very low	28.1	Very low	248 Å²	248	158.4 Å²	158.4	94%	0.936	85%	0.853	S	S	*	*			trans	-142.6	108.2	162.5	-87.9	-165.1	174.8	-169.3	-1.5	109.9
4	T	28	Very low	28.3	Very low	128 Å²	128	157.1 Å²	157.1	79%	0.785	84%	0.844	S	S	*	*			trans	-62.6	133.1	168.2	-32.4	0	0	0	0	110
5	V	30.4	Very low	28.3	Very low	140 Å²	140	160.9 Å²	160.9	85%	0.848	84%	0.841	S	S	*	*			trans	-103.3	113.1	173	177.4	0	0	0	0	108.1
6	L	28.2	Very low	28.6	Very low	158 Å²	158	157.1 Å²	157.1	83%	0.827	83%	0.83	S	S	*	*			trans	-82.6	118.8	171.7	-88.2	151.8	0	0	0	109.3	R8	L6-R8 PolarHBondContact O-N 3.46Å
7	S	26.4	Very low	28.6	Very low	115 Å²	115	155.9 Å²	155.9	80%	0.804	84%	0.837	S	S	*	*			trans	-71.2	114.2	167	54.5	0	0	0	0	110
8	R	27.7	Very low	29.1	Very low	237 Å²	237	150.8 Å²	150.8	89%	0.894	81%	0.812	S	S	*	*			trans	-88.7	110.4	166.6	-79.3	-176.8	171.9	-173.4	-2.8	108.9	L6	L6-R8 PolarHBondContact O-N 3.46Å
9	G	25.1	Very low	29.1	Very low	76 Å²	76	149.8 Å²	149.8	78%	0.784	82%	0.816	S	S	*	*			trans	-72.4	125.5	162.9	0	0	0	0	0	109.6
10	I	27.1	Very low	29.7	Very low	155 Å²	155	148.6 Å²	148.6	80%	0.795	80%	0.8	S	S	*	*			trans	-97.8	97.9	175.8	-62.4	174	0	0	0	107.1	S12	I10-S12 PolarHBondContact O-N 2.87Å
11	T	27.4	Very low	30.1	Very low	139 Å²	139	152 Å²	152	85%	0.853	80%	0.803	S	S	*	*			trans	-76.3	96.3	161.7	29.9	0	0	0	0	108.7
12	S	26.2	Very low	30.6	Very low	96 Å²	96	144.4 Å²	144.4	67%	0.671	79%	0.787	S	S	*	*			trans	-93.9	90.5	170.6	164.3	0	0	0	0	109.1	I10 I14	I10-S12 PolarHBondContact O-N 2.87Å; S12-I14 PolarHBondContact O-N 2.85Å
13	L	30.8	Very low	32	Very low	157 Å²	157	141.3 Å²	141.3	82%	0.822	78%	0.775	S	S	*	*			trans	-74.3	109.4	165.2	-84.4	155.8	0	0	0	108.5	R15	L13-R15 PolarHBondContact O-N 2.64Å
14	I	31.1	Very low	34.7	Very low	141 Å²	141	133.8 Å²	133.8	72%	0.723	77%	0.766	S	S	*	*			trans	-67.8	100.3	167	-63.7	172.4	0	0	0	106.8	S12	S12-I14 PolarHBondContact O-N 2.85Å
15	R	28.7	Very low	37.8	Very low	213 Å²	213	129.3 Å²	129.3	80%	0.804	74%	0.738	S	S	*	*			trans	-73.4	130.7	169.6	-73.7	-179.8	173.4	-173.4	-3.3	108.1	L13 S17	L13-R15 PolarHBondContact O-N 2.64Å; R15-S17 PolarHBondContact O-N 3.01Å
16	P	32.1	Very low	40.9	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	71%	0.712	S	S	*	*			trans	-60.3	135.6	164.7	24.5	-27.4	0	0	0	107.8	V18	P16-V18 PolarHBondContact O-N 3.43Å
17	S	29.3	Very low	44.1	Very low	136 Å²	136	123.3 Å²	123.3	95%	0.951	71%	0.709	S	S	*	*			trans	-65.6	74.6	179.9	-59.9	0	0	0	0	111.1	R15	R15-S17 PolarHBondContact O-N 3.01Å
18	V	37.8	Very low	47.4	Very low	64 Å²	64	119 Å²	119	39%	0.388	68%	0.678	S	S	.	*			trans	-105.1	115	166.4	-176.2	0	0	0	0	105.4	P16 Y20	P16-V18 PolarHBondContact O-N 3.43Å; V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 HydrophobicContact CB-CD2 4.01Å; V18-Y20 HydrophobicContact CB-CE2 3.66Å; V18-Y20 HydrophobicContact CG1-CD2 4.16Å; V18-Y20 HydrophobicContact CG1-CE1 4.37Å; V18-Y20 HydrophobicContact CG1-CE2 3.91Å; V18-Y20 HydrophobicContact CG2-CE2 4.48Å; V18-Y20 VanDerWaalsContact O-CD2 3.28Å; V18-Y20 WeakPolarHBondContact O-CD2 2.95Å; V18-Y20 PolarHBondContact O-N 2.91Å
19	C	28.8	Very low	50.6	Low	133 Å²	133	110.3 Å²	110.3	90%	0.899	65%	0.654	S	S	*	*			trans	-63.7	96.4	170.5	-158.2	0	0	0	0	107.5
20	Y	41.6	Very low	53.9	Low	124 Å²	124	109 Å²	109	49%	0.486	64%	0.636	S	S	.	*			trans	-84.5	119.9	176.9	-81.8	-77.7	0	0	0	109.5	V18 G22 L136	V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 HydrophobicContact CB-CD2 4.01Å; V18-Y20 HydrophobicContact CB-CE2 3.66Å; V18-Y20 HydrophobicContact CG1-CD2 4.16Å; V18-Y20 HydrophobicContact CG1-CE1 4.37Å; V18-Y20 HydrophobicContact CG1-CE2 3.91Å; V18-Y20 HydrophobicContact CG2-CE2 4.48Å; V18-Y20 VanDerWaalsContact O-CD2 3.28Å; V18-Y20 WeakPolarHBondContact O-CD2 2.95Å; V18-Y20 PolarHBondContact O-N 2.91Å; Y20-G22 PolarHBondContact O-N 2.95Å; Y20-L136 HydrophobicContact CD1-CD2 4.47Å; Y20-L136 HydrophobicContact CE1-CD1 4.36Å; Y20-L136 HydrophobicContact CE1-CD2 3.57Å; Y20-L136 HydrophobicContact CE1-CG 4.37Å
21	Y	38.1	Very low	57.1	Low	222 Å²	222	109.8 Å²	109.8	87%	0.871	64%	0.636	S	S	*	*			trans	-59.3	124.3	146.1	-86.7	-88.8	0	0	0	107.1	T23	Y21-T23 PolarHBondContact O-N 3.16Å
22	G	43	Very low	60.5	Low	84 Å²	84	103.8 Å²	103.8	87%	0.866	60%	0.6	S	S	*	*	S	Bend	trans	-71.8	52.6	-166.9	0	0	0	0	0	116.4	Y20	Y20-G22 PolarHBondContact O-N 2.95Å
23	T	58.2	Low	63.8	Low	101 Å²	101	105.9 Å²	105.9	62%	0.62	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-97.8	131	168.5	53.4	0	0	0	0	109.6	Y21	Y21-T23 PolarHBondContact O-N 3.16Å
24	A	83.7	Confident	67.1	Low	90 Å²	90	100.2 Å²	100.2	74%	0.744	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-65.2	146.2	172.2	0	0	0	0	0	109.4	P26	A24-P26 WeakPolarHBondContact O-CD 3.4Å
25	V	92.7	Very high	70.2	Confident	33 Å²	33	97.6 Å²	97.6	20%	0.2	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-57	122.7	172.5	178.3	0	0	0	0	108.5	Y131 Y135 L136 F354	V25-Y131 HydrophobicContact CG1-CD1 4.18Å; V25-Y131 HydrophobicContact CG1-CE1 3.57Å; V25-Y135 HydrophobicContact CB-CD1 4.44Å; V25-Y135 HydrophobicContact CG1-CD1 4.07Å; V25-Y135 HydrophobicContact CG2-CD1 4.22Å; V25-L136 HydrophobicContact CG2-CD1 3.61Å; V25-L136 HydrophobicContact CG2-CD2 3.68Å; V25-L136 HydrophobicContact CG2-CG 3.73Å; V25-F354 HydrophobicContact CB-CE1 3.94Å; V25-F354 HydrophobicContact CG1-CE1 3.66Å; V25-F354 HydrophobicContact CG1-CZ 4.12Å
26	P	95	Very high	73.6	Confident	44 Å²	44	89.7 Å²	89.7	29%	0.286	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-58.9	153.3	178.5	-24	34.4	0	0	0	111.8	A24 P28 A117 Y131 Y135	A24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-P28 WeakPolarHBondContact O-CD 3.35Å; P26-A117 HydrophobicContact CB-CB 4.45Å; P26-A117 HydrophobicContact CG-CB 4.29Å; P26-Y131 VanDerWaalsContact O-CE1 3.31Å; P26-Y131 WeakPolarHBondContact O-CE1 3.48Å; P26-Y131 PolarHBondContact O-OH 3.33Å; P26-Y135 VanDerWaalsContact CD-CE1 3.48Å; P26-Y135 HydrophobicContact CG-CE1 4.43Å; P26-Y135 HydrophobicContact CG-CE2 4.11Å
27	V	95.3	Very high	76.7	Confident	128 Å²	128	87.6 Å²	87.6	78%	0.776	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-72.7	122.4	171.6	179.1	0	0	0	0	108
28	P	96.3	Very high	80	Confident	24 Å²	24	84.5 Å²	84.5	16%	0.156	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-78	151.9	-176.5	30.7	-33.8	0	0	0	112.4	P26 E121 Y131 F352 F354	P26-P28 WeakPolarHBondContact O-CD 3.35Å; P28-E121 VanDerWaalsContact CA-OE1 3.31Å; P28-E121 WeakPolarHBondContact CA-OE1 3.38Å; P28-E121 HydrophobicContact CB-CG 3.87Å; P28-Y131 HydrophobicContact CB-CD1 3.8Å; P28-Y131 HydrophobicContact CB-CD2 3.88Å; P28-Y131 HydrophobicContact CB-CE1 3.74Å; P28-Y131 HydrophobicContact CB-CE2 3.8Å; P28-Y131 HydrophobicContact CB-CG 3.87Å; P28-Y131 HydrophobicContact CG-CD1 3.68Å; P28-Y131 HydrophobicContact CG-CE1 3.88Å; P28-Y131 HydrophobicContact CG-CG 4.03Å; P28-F352 HydrophobicContact CB-CD1 3.81Å; P28-F352 HydrophobicContact CB-CE1 4.17Å; P28-F352 HydrophobicContact CG-CD1 3.94Å; P28-F354 VanDerWaalsContact CD-CE2 3.49Å; P28-F354 HydrophobicContact CG-CE2 4.14Å
29	S	95.4	Very high	83	Confident	55 Å²	55	81.5 Å²	81.5	39%	0.385	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-78.3	125.1	151.9	-176.5	0	0	0	0	110	Q31 E121 F352	S29-Q31 PolarHBondContact O-N 2.86Å; S29-Q31 PolarHBondContact OG-N 3.13Å; S29-Q31 PolarHBondContact OG-O 2.83Å; S29-E121 VanDerWaalsContact N-CD 3.34Å; S29-E121 PolarHBondContact N-OE1 2.86Å; S29-F352 WeakPolarHBondContact O-CE1 3.48Å
30	A	93.1	Very high	86.3	Confident	50 Å²	50	75.1 Å²	75.1	41%	0.413	42%	0.418	S	S	.	.	S	Bend	trans	-75	-8	174.5	0	0	0	0	0	113.4	F352	A30-F352 HydrophobicContact CB-CB 4.32Å; A30-F352 HydrophobicContact CB-CD1 4.36Å; A30-F352 HydrophobicContact CB-CD2 3.86Å; A30-F352 HydrophobicContact CB-CE2 4.2Å; A30-F352 HydrophobicContact CB-CG 3.93Å
31	Q	95	Very high	89	Confident	170 Å²	170	69.4 Å²	69.4	79%	0.794	40%	0.396	S	S	*	.	S	Bend	trans	-137	68	180	-64.2	-176.4	-1.7	0	0	109.3	S29	S29-Q31 PolarHBondContact O-N 2.86Å; S29-Q31 PolarHBondContact OG-N 3.13Å; S29-Q31 PolarHBondContact OG-O 2.83Å
32	P	97.3	Very high	91.9	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.084	37%	0.368	C	S	.	.			trans	-63.5	143.7	174.6	30.4	-36.4	0	0	0	110.2	Y118 E121 L122 L125	P32-Y118 HydrophobicContact CB-CD2 4.23Å; P32-Y118 HydrophobicContact CB-CE2 4.06Å; P32-E121 HydrophobicContact CB-CB 4Å; P32-E121 HydrophobicContact CG-CB 3.88Å; P32-L122 HydrophobicContact CG-CB 4.43Å; P32-L122 HydrophobicContact CG-CD1 4.43Å; P32-L125 HydrophobicContact CG-CB 4.34Å; P32-L125 HydrophobicContact CG-CD2 3.99Å
33	E	97.3	Very high	94.6	Very high	140 Å²	140	58 Å²	58	65%	0.654	33%	0.331	S	S	*	.			trans	-69.7	136.9	176.6	-173.2	-177.4	168.3	0	0	110.4	H35 Y118	E33-H35 VanDerWaalsContact CD-CE1 3.49Å; E33-H35 IonicContact OE1-CE1 3.84Å; E33-H35 IonicContact OE1-ND1 2.7Å; E33-H35 IonicContact OE2-CE1 3.8Å; E33-H35 PolarHBondContact OE2-CE1 3.33Å; E33-Y118 WeakPolarHBondContact O-CE2 3.25Å; E33-Y118 PolarHBondContact O-OH 2.91Å
34	V	98.4	Very high	96.5	Very high	39 Å²	39	58.7 Å²	58.7	24%	0.236	33%	0.327	C	S	.	.			trans	-89.5	109.8	175.2	-178.7	0	0	0	0	110.1	I65 L122 L216	V34-I65 HydrophobicContact CG2-CG2 3.75Å; V34-L122 HydrophobicContact CG2-CD1 4.22Å; V34-L216 HydrophobicContact CG1-CD1 4.24Å; V34-L216 HydrophobicContact CG1-CD2 3.89Å; V34-L216 HydrophobicContact CG2-CD1 3.87Å
35	H	98	Very high	97.2	Very high	85 Å²	85	57.8 Å²	57.8	39%	0.394	30%	0.304	S	S	.	.			trans	-87	-25.8	-179	-59.8	-53.6	0	0	0	114.6	E33 Y118	E33-H35 VanDerWaalsContact CD-CE1 3.49Å; E33-H35 IonicContact OE1-CE1 3.84Å; E33-H35 IonicContact OE1-ND1 2.7Å; E33-H35 IonicContact OE2-CE1 3.8Å; E33-H35 PolarHBondContact OE2-CE1 3.33Å; H35-Y118 AromaticContact CD2-CZ 3.74Å; H35-Y118 PolarHBondContact CD2-OH 3.5Å
36	F	98.6	Very high	97.5	Very high	48 Å²	48	58 Å²	58	21%	0.211	30%	0.303	C	S	.	.			trans	-137.6	123.1	-171.9	-53.2	-68.8	0	0	0	112	W45 L219 Y220 S223	F36-W45 HydrophobicContact CB-CH2 3.59Å; F36-W45 HydrophobicContact CB-CZ2 3.72Å; F36-W45 HydrophobicContact CB-CZ3 4.13Å; F36-W45 HydrophobicContact CD1-CD2 4.11Å; F36-W45 AromaticContact CD1-CE2 3.24Å; F36-W45 AromaticContact CD1-CH2 3.99Å; F36-W45 HydrophobicContact CD1-CH2 3.99Å; F36-W45 AromaticContact CD1-CZ2 3.19Å; F36-W45 HydrophobicContact CD1-CZ2 3.19Å; F36-W45 AromaticContact CD1-NE1 3.36Å; F36-W45 HydrophobicContact CD2-CZ2 4.23Å; F36-W45 AromaticContact CE1-CE2 3.74Å; F36-W45 AromaticContact CE1-CZ2 3.82Å; F36-W45 HydrophobicContact CE1-CZ2 3.82Å; F36-W45 AromaticContact CE1-NE1 3.39Å; F36-W45 AromaticContact CG-CE2 3.97Å; F36-W45 AromaticContact CG-CH2 3.86Å; F36-W45 HydrophobicContact CG-CH2 3.86Å; F36-W45 AromaticContact CG-CZ2 3.43Å; F36-W45 HydrophobicContact CG-CZ2 3.43Å; F36-W45 VanDerWaalsContact CG-CZ2 3.43Å; F36-L219 HydrophobicContact CB-CB 4.05Å; F36-Y220 AromaticContact CD2-CD2 3.74Å; F36-Y220 HydrophobicContact CD2-CD2 3.74Å; F36-Y220 HydrophobicContact CD2-CG 4.36Å; F36-Y220 AromaticContact CE2-CD2 3.65Å; F36-Y220 HydrophobicContact CE2-CD2 3.65Å; F36-Y220 HydrophobicContact CE2-CE2 4.04Å; F36-Y220 HydrophobicContact CE2-CG 4.44Å; F36-S223 VanDerWaalsContact CE2-CB 3.43Å; F36-S223 WeakPolarHBondContact CE2-OG 3.46Å
37	N	98.5	Very high	97.7	Very high	56 Å²	56	60.6 Å²	60.6	30%	0.299	31%	0.311	S	S	.	.			trans	-144.5	19.8	-176.7	66.8	-17.1	0	0	0	113	Q67 V68 A69	N37-Q67 WeakPolarHBondContact CB-O 3.45Å; N37-Q67 PolarHBondContact ND2-O 3.29Å; N37-V68 HydrophobicContact CB-CG2 4.3Å; N37-V68 CarbonylContact O-C 3.57Å; N37-V68 WeakPolarHBondContact O-CA 3.33Å; N37-V68 WeakPolarHBondContact O-CG1 3.36Å; N37-A69 PolarHBondContact O-N 2.64Å
38	K	98.8	Very high	97.8	Very high	72 Å²	72	54.7 Å²	54.7	31%	0.313	28%	0.276	S	S	.	.	S	Bend	trans	-113	175.3	-176.8	-67.9	-170.7	-168.1	-163.4	0	111.3	W45 Q46 E47	K38-W45 HydrophobicContact CB-CB 4.24Å; K38-W45 HydrophobicContact CB-CE3 3.9Å; K38-W45 HydrophobicContact CD-CB 4.28Å; K38-W45 WeakPolarHBondContact O-CZ3 3.34Å; K38-Q46 WeakPolarHBondContact CB-O 3.44Å; K38-E47 WeakPolarHBondContact CD-OE1 3.37Å; K38-E47 WeakPolarHBondContact CE-OE1 3.19Å; K38-E47 IonicContact NZ-OE1 2.67Å; K38-E47 PolarHBondContact NZ-OE1 3.31Å
39	L	98.9	Very high	97.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	141.8	170.2	-47.3	-173.1	0	0	0	109.7	W45 Q46 A48 A69 A71 D75 L238 P239	L39-W45 CarbonylContact O-C 3.51Å; L39-W45 WeakPolarHBondContact O-CA 3.43Å; L39-Q46 HydrophobicContact CB-CB 4.47Å; L39-Q46 WeakPolarHBondContact CB-O 3.38Å; L39-Q46 WeakPolarHBondContact CG-O 3.46Å; L39-Q46 PolarHBondContact N-O 2.97Å; L39-Q46 PolarHBondContact O-N 3.19Å; L39-A48 HydrophobicContact CD1-CB 4.32Å; L39-A69 HydrophobicContact CD2-CB 3.8Å; L39-A69 HydrophobicContact CG-CB 3.99Å; L39-A71 HydrophobicContact CD1-CB 4.39Å; L39-A71 HydrophobicContact CD2-CB 3.79Å; L39-D75 HydrophobicContact CD1-CB 3.67Å; L39-D75 WeakPolarHBondContact CD1-OD1 3.26Å; L39-L238 HydrophobicContact CB-CD2 4.18Å; L39-L238 HydrophobicContact CD1-CD2 4.33Å; L39-L238 HydrophobicContact CD2-CD2 4.39Å; L39-P239 HydrophobicContact CD2-CG 3.86Å
40	F	98.9	Very high	98.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.7	175.6	-174.2	-98.7	0	0	0	110	N43 E44 W45 A222 K226 V235 N236 I237	F40-N43 VanDerWaalsContact CZ-CA 3.5Å; F40-N43 HydrophobicContact CZ-CB 4.19Å; F40-N43 WeakPolarHBondContact CZ-OD1 3.4Å; F40-E44 WeakPolarHBondContact CA-O 3.47Å; F40-W45 HydrophobicContact CB-CE3 4.17Å; F40-W45 HydrophobicContact CB-CH2 4.18Å; F40-W45 HydrophobicContact CB-CZ3 3.78Å; F40-W45 HydrophobicContact CD2-CD2 4.16Å; F40-W45 AromaticContact CD2-CE2 3.98Å; F40-W45 HydrophobicContact CD2-CE3 4.2Å; F40-W45 AromaticContact CD2-CH2 3.91Å; F40-W45 HydrophobicContact CD2-CH2 3.91Å; F40-W45 AromaticContact CD2-CZ2 3.86Å; F40-W45 HydrophobicContact CD2-CZ2 3.86Å; F40-W45 HydrophobicContact CD2-CZ3 4.09Å; F40-W45 HydrophobicContact CE2-CZ2 4.39Å; F40-W45 HydrophobicContact CG-CH2 4.42Å; F40-W45 HydrophobicContact CG-CZ3 4.41Å; F40-A222 HydrophobicContact CB-CB 4.03Å; F40-A222 HydrophobicContact CD1-CB 3.77Å; F40-A222 HydrophobicContact CD2-CB 3.78Å; F40-A222 HydrophobicContact CE1-CB 4.07Å; F40-A222 HydrophobicContact CE2-CB 4.07Å; F40-A222 WeakPolarHBondContact CE2-O 3.29Å; F40-A222 HydrophobicContact CG-CB 3.59Å; F40-A222 HydrophobicContact CZ-CB 4.18Å; F40-A222 WeakPolarHBondContact CZ-O 3.45Å; F40-K226 HydrophobicContact CE2-CB 4.38Å; F40-K226 HydrophobicContact CZ-CB 4.12Å; F40-V235 WeakPolarHBondContact CE1-O 3.34Å; F40-N236 CarbonylContact O-C 3.57Å; F40-N236 WeakPolarHBondContact O-CA 3.32Å; F40-I237 HydrophobicContact CB-CB 4.22Å; F40-I237 PolarHBondContact N-O 2.81Å; F40-I237 PolarHBondContact O-N 2.8Å
41	I	98.9	Very high	98.3	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.2	-178.7	-57	173.9	0	0	0	108.2	N43 E44 K78 A79 A82 L238	I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 3.44Å; I41-E44 PolarHBondContact N-O 3Å; I41-E44 WeakPolarHBondContact O-CB 3.36Å; I41-E44 PolarHBondContact O-N 2.91Å; I41-K78 HydrophobicContact CD1-CB 4.22Å; I41-A79 HydrophobicContact CD1-CB 4.1Å; I41-A79 HydrophobicContact CG1-CB 4.15Å; I41-A82 HydrophobicContact CG2-CB 3.75Å; I41-L238 HydrophobicContact CD1-CD2 3.96Å; I41-L238 HydrophobicContact CG1-CD2 4.03Å
42	N	98.7	Very high	98.5	Very high	53 Å²	53	55.9 Å²	55.9	28%	0.283	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	37.7	-177.2	-75.3	-28.8	0	0	0	114.5	E44 A82 E232 G233 N236	N42-E44 PolarHBondContact O-N 2.91Å; N42-A82 WeakPolarHBondContact OD1-CB 3.13Å; N42-E232 HydrophobicContact CB-CB 4.3Å; N42-G233 WeakPolarHBondContact OD1-CA 3.26Å; N42-G233 PolarHBondContact OD1-N 2.87Å; N42-N236 PolarHBondContact N-OD1 3.07Å
43	N	98.8	Very high	98.5	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.08	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.6	-173.7	-62.8	-15.9	0	0	0	114.4	F40 I41 K226 F230 E232	F40-N43 VanDerWaalsContact CZ-CA 3.5Å; F40-N43 HydrophobicContact CZ-CB 4.19Å; F40-N43 WeakPolarHBondContact CZ-OD1 3.4Å; I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 3.44Å; N43-K226 HydrophobicContact CB-CB 4.33Å; N43-K226 HydrophobicContact CB-CD 4.12Å; N43-K226 HydrophobicContact CB-CG 4.05Å; N43-K226 WeakPolarHBondContact O-CD 3.15Å; N43-K226 WeakPolarHBondContact O-CE 3.33Å; N43-K226 PolarHBondContact O-NZ 2.91Å; N43-F230 PolarHBondContact ND2-O 2.85Å; N43-E232 HydrophobicContact CB-CG 4.25Å
44	E	98.8	Very high	98.6	Very high	115 Å²	115	52 Å²	52	54%	0.537	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.7	177.7	-64	-175	157.6	0	0	111.4	F40 I41 N42	F40-E44 WeakPolarHBondContact CA-O 3.47Å; I41-E44 PolarHBondContact N-O 3Å; I41-E44 WeakPolarHBondContact O-CB 3.36Å; I41-E44 PolarHBondContact O-N 2.91Å; N42-E44 PolarHBondContact O-N 2.91Å
45	W	98.8	Very high	98.6	Very high	71 Å²	71	53 Å²	53	27%	0.269	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.9	175.5	-66.6	113.2	0	0	0	110	F36 K38 L39 F40 L219 A222	F36-W45 HydrophobicContact CB-CH2 3.59Å; F36-W45 HydrophobicContact CB-CZ2 3.72Å; F36-W45 HydrophobicContact CB-CZ3 4.13Å; F36-W45 HydrophobicContact CD1-CD2 4.11Å; F36-W45 AromaticContact CD1-CE2 3.24Å; F36-W45 AromaticContact CD1-CH2 3.99Å; F36-W45 HydrophobicContact CD1-CH2 3.99Å; F36-W45 AromaticContact CD1-CZ2 3.19Å; F36-W45 HydrophobicContact CD1-CZ2 3.19Å; F36-W45 AromaticContact CD1-NE1 3.36Å; F36-W45 HydrophobicContact CD2-CZ2 4.23Å; F36-W45 AromaticContact CE1-CE2 3.74Å; F36-W45 AromaticContact CE1-CZ2 3.82Å; F36-W45 HydrophobicContact CE1-CZ2 3.82Å; F36-W45 AromaticContact CE1-NE1 3.39Å; F36-W45 AromaticContact CG-CE2 3.97Å; F36-W45 AromaticContact CG-CH2 3.86Å; F36-W45 HydrophobicContact CG-CH2 3.86Å; F36-W45 AromaticContact CG-CZ2 3.43Å; F36-W45 HydrophobicContact CG-CZ2 3.43Å; F36-W45 VanDerWaalsContact CG-CZ2 3.43Å; K38-W45 HydrophobicContact CB-CB 4.24Å; K38-W45 HydrophobicContact CB-CE3 3.9Å; K38-W45 HydrophobicContact CD-CB 4.28Å; K38-W45 WeakPolarHBondContact O-CZ3 3.34Å; L39-W45 CarbonylContact O-C 3.51Å; L39-W45 WeakPolarHBondContact O-CA 3.43Å; F40-W45 HydrophobicContact CB-CE3 4.17Å; F40-W45 HydrophobicContact CB-CH2 4.18Å; F40-W45 HydrophobicContact CB-CZ3 3.78Å; F40-W45 HydrophobicContact CD2-CD2 4.16Å; F40-W45 AromaticContact CD2-CE2 3.98Å; F40-W45 HydrophobicContact CD2-CE3 4.2Å; F40-W45 AromaticContact CD2-CH2 3.91Å; F40-W45 HydrophobicContact CD2-CH2 3.91Å; F40-W45 AromaticContact CD2-CZ2 3.86Å; F40-W45 HydrophobicContact CD2-CZ2 3.86Å; F40-W45 HydrophobicContact CD2-CZ3 4.09Å; F40-W45 HydrophobicContact CE2-CZ2 4.39Å; F40-W45 HydrophobicContact CG-CH2 4.42Å; F40-W45 HydrophobicContact CG-CZ3 4.41Å; W45-L219 HydrophobicContact CH2-CB 4Å; W45-L219 HydrophobicContact CH2-CD2 4.49Å; W45-L219 VanDerWaalsContact CH2-O 3.26Å; W45-L219 WeakPolarHBondContact CH2-O 3.5Å; W45-L219 HydrophobicContact CZ3-CB 4.28Å; W45-L219 HydrophobicContact CZ3-CD2 4.12Å; W45-A222 HydrophobicContact CH2-CB 3.97Å; W45-A222 HydrophobicContact CZ2-CB 4.41Å
46	Q	98.6	Very high	98.6	Very high	38 Å²	38	49 Å²	49	18%	0.178	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.5	-174.6	-55	-173.1	18.7	0	0	111	K38 L39 K78	K38-Q46 WeakPolarHBondContact CB-O 3.44Å; L39-Q46 HydrophobicContact CB-CB 4.47Å; L39-Q46 WeakPolarHBondContact CB-O 3.38Å; L39-Q46 WeakPolarHBondContact CG-O 3.46Å; L39-Q46 PolarHBondContact N-O 2.97Å; L39-Q46 PolarHBondContact O-N 3.19Å; Q46-K78 VanDerWaalsContact OE1-CE 3.25Å
47	E	98.6	Very high	98.6	Very high	97 Å²	97	49.5 Å²	49.5	45%	0.453	27%	0.269	S	S	.	.			trans	-68.3	156.7	164.8	-56.6	-57.7	157.7	0	0	110.2	K38	K38-E47 WeakPolarHBondContact CD-OE1 3.37Å; K38-E47 WeakPolarHBondContact CE-OE1 3.19Å; K38-E47 IonicContact NZ-OE1 2.67Å; K38-E47 PolarHBondContact NZ-OE1 3.31Å
48	A	98.6	Very high	98.7	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.041	26%	0.26	C	S	.	.			trans	-60	143	166.7	0	0	0	0	0	110.2	L39 S50 G51 A69 E70	L39-A48 HydrophobicContact CD1-CB 4.32Å; A48-S50 PolarHBondContact O-N 3.25Å; A48-S50 VanDerWaalsContact O-N 3.13Å; A48-G51 PolarHBondContact O-N 2.86Å; A48-A69 HydrophobicContact CB-CB 4.49Å; A48-E70 VanDerWaalsContact CB-O 3.26Å; A48-E70 WeakPolarHBondContact CB-O 3.48Å
49	V	98.6	Very high	98.7	Very high	89 Å²	89	44.4 Å²	44.4	54%	0.539	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33	177.4	166.9	0	0	0	0	111.6	G51 A74 D75 K78	V49-G51 VanDerWaalsContact C-N 3.3Å; V49-A74 HydrophobicContact CB-CB 4.19Å; V49-A74 HydrophobicContact CG1-CB 4.14Å; V49-A74 HydrophobicContact CG2-CB 4.35Å; V49-D75 VanDerWaalsContact CG2-OD1 3.29Å; V49-D75 WeakPolarHBondContact CG2-OD1 3.08Å; V49-D75 PolarHBondContact N-OD1 3.43Å; V49-K78 HydrophobicContact CG2-CD 3.68Å
50	S	98.1	Very high	98.6	Very high	62 Å²	62	45.1 Å²	45.1	43%	0.434	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.2	176.9	67	0	0	0	0	114.2	A48 K52	A48-S50 PolarHBondContact O-N 3.25Å; A48-S50 VanDerWaalsContact O-N 3.13Å; S50-K52 PolarHBondContact O-N 3.39Å; S50-K52 WeakPolarHBondContact OG-CB 3.41Å; S50-K52 WeakPolarHBondContact OG-CG 3.46Å; S50-K52 PolarHBondContact OG-N 2.85Å; S50-K52 VanDerWaalsContact OG-N 3.16Å
51	G	98.3	Very high	98.6	Very high	57 Å²	57	46.9 Å²	46.9	59%	0.588	26%	0.261	S	S	*	.			trans	70.2	4	-168.5	0	0	0	0	0	114.6	A48 V49	A48-G51 PolarHBondContact O-N 2.86Å; V49-G51 VanDerWaalsContact C-N 3.3Å
52	K	98.5	Very high	98.5	Very high	116 Å²	116	48.4 Å²	48.4	50%	0.504	28%	0.278	S	S	.	.			trans	-74	150.9	-179.9	-68.2	-179.6	-179.7	178.9	0	112	S50 E70	S50-K52 PolarHBondContact O-N 3.39Å; S50-K52 WeakPolarHBondContact OG-CB 3.41Å; S50-K52 WeakPolarHBondContact OG-CG 3.46Å; S50-K52 PolarHBondContact OG-N 2.85Å; S50-K52 VanDerWaalsContact OG-N 3.16Å; K52-E70 HydrophobicContact CB-CB 4.01Å; K52-E70 PolarHBondContact O-N 3.23Å
53	T	98.8	Very high	98.5	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.38	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.5	170.6	64.7	0	0	0	0	110.1	Q67 V68	T53-Q67 HydrophobicContact CG2-CB 4.45Å; T53-Q67 PolarHBondContact OG1-OE1 3.35Å; T53-V68 CarbonylContact C-O 3.59Å; T53-V68 WeakPolarHBondContact CA-O 3.46Å; T53-V68 VanDerWaalsContact CB-O 3.25Å; T53-V68 WeakPolarHBondContact CB-O 3.38Å
54	F	98.8	Very high	98.5	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.039	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.8	170.6	67.4	-87.3	0	0	0	110.9	Q67 V68 A69 E70 E212 P215 P239 M241	F54-Q67 VanDerWaalsContact C-OE1 3.24Å; F54-Q67 PolarHBondContact O-OE1 2.69Å; F54-V68 WeakPolarHBondContact CD1-O 3.25Å; F54-V68 HydrophobicContact CE1-CB 4.1Å; F54-V68 HydrophobicContact CE1-CG1 4.14Å; F54-V68 HydrophobicContact CE2-CB 4.24Å; F54-V68 HydrophobicContact CZ-CB 3.93Å; F54-V68 HydrophobicContact CZ-CG1 3.97Å; F54-V68 PolarHBondContact N-O 3.48Å; F54-V68 PolarHBondContact O-N 2.88Å; F54-A69 WeakPolarHBondContact CE1-O 3.47Å; F54-E70 HydrophobicContact CD1-CB 3.78Å; F54-E70 HydrophobicContact CD1-CG 3.88Å; F54-E70 HydrophobicContact CE1-CB 4.48Å; F54-E212 HydrophobicContact CE2-CB 4.03Å; F54-E212 VanDerWaalsContact CE2-O 3.26Å; F54-E212 WeakPolarHBondContact CE2-O 3.33Å; F54-E212 HydrophobicContact CZ-CB 4.37Å; F54-P215 HydrophobicContact CE2-CG 4.43Å; F54-P215 HydrophobicContact CZ-CG 4.41Å; F54-P239 HydrophobicContact CE1-CB 4.17Å; F54-P239 HydrophobicContact CZ-CB 4.04Å; F54-M241 HydrophobicContact CB-CE 3.67Å; F54-M241 HydrophobicContact CD1-CE 4.3Å; F54-M241 HydrophobicContact CD2-CE 4.1Å; F54-M241 HydrophobicContact CG-CE 3.76Å
55	P	98.6	Very high	98.5	Very high	59 Å²	59	51.8 Å²	51.8	38%	0.383	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.3	175.9	29.6	-32.3	0	0	0	111	I64	P55-I64 HydrophobicContact CB-CD1 3.94Å; P55-I64 HydrophobicContact CB-CG1 3.92Å; P55-I64 HydrophobicContact CB-CG2 3.91Å
56	T	98.4	Very high	98.5	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.8	157	-170.4	0	0	0	0	109.7	I65 C66 V68 D126 Q213 L216	T56-I65 HydrophobicContact CG2-CB 4.1Å; T56-I65 HydrophobicContact CG2-CD1 4.35Å; T56-I65 PolarHBondContact O-N 2.84Å; T56-C66 PolarHBondContact N-O 3.39Å; T56-C66 VanDerWaalsContact N-O 3.07Å; T56-V68 HydrophobicContact CG2-CG2 4.05Å; T56-D126 WeakPolarHBondContact CG2-OD1 3.38Å; T56-D126 PolarHBondContact OG1-OD1 3.48Å; T56-Q213 PolarHBondContact OG1-O 3.1Å; T56-L216 HydrophobicContact CG2-CD1 3.8Å; T56-L216 HydrophobicContact CG2-CD2 4.08Å; T56-L216 HydrophobicContact CG2-CG 3.97Å
57	I	98.6	Very high	98.5	Very high	59 Å²	59	51.3 Å²	51.3	30%	0.303	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.5	-164.2	-60.2	174.5	0	0	0	109	P59 E63	I57-P59 WeakPolarHBondContact O-CD 3.43Å; I57-E63 CarbonylContact C-O 3.44Å; I57-E63 WeakPolarHBondContact CA-O 3.44Å; I57-E63 WeakPolarHBondContact CG2-O 3.46Å
58	N	98.8	Very high	98.5	Very high	20 Å²	20	46.7 Å²	46.7	11%	0.107	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	112.8	168.4	176.6	-16.8	0	0	0	108.7	S60 T61 G62 E63 I65 L125	N58-S60 PolarHBondContact O-N 3.31Å; N58-S60 VanDerWaalsContact O-N 3.16Å; N58-S60 WeakPolarHBondContact OD1-CA 3.44Å; N58-S60 VanDerWaalsContact OD1-CB 3.23Å; N58-S60 WeakPolarHBondContact OD1-CB 3.33Å; N58-S60 PolarHBondContact OD1-N 2.95Å; N58-S60 PolarHBondContact OD1-OG 3.27Å; N58-T61 PolarHBondContact O-N 2.96Å; N58-G62 WeakPolarHBondContact O-CA 3.47Å; N58-G62 PolarHBondContact O-N 3.27Å; N58-E63 PolarHBondContact N-O 3.16Å; N58-I65 HydrophobicContact CB-CD1 4.02Å; N58-I65 HydrophobicContact CB-CG1 3.77Å; N58-L125 WeakPolarHBondContact ND2-CD1 3.46Å
59	P	98.8	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.3	-175.6	25.2	-33.2	0	0	0	114.3	I57 T61 N127 P360 Q361 V362 G395 Y396	I57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-T61 VanDerWaalsContact C-N 3.32Å; P59-N127 WeakPolarHBondContact CG-O 3.32Å; P59-P360 HydrophobicContact CB-CB 4.12Å; P59-P360 HydrophobicContact CB-CG 3.65Å; P59-P360 HydrophobicContact CG-CG 3.8Å; P59-P360 WeakPolarHBondContact O-CB 3.47Å; P59-Q361 WeakPolarHBondContact CB-O 3.31Å; P59-V362 WeakPolarHBondContact CB-O 3.26Å; P59-G395 CarbonylContact O-C 3.56Å; P59-G395 WeakPolarHBondContact O-CA 3.32Å; P59-Y396 HydrophobicContact CB-CD2 3.63Å; P59-Y396 HydrophobicContact CB-CE2 4.1Å; P59-Y396 PolarHBondContact O-N 3.42Å
60	S	98.6	Very high	98.5	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.7	-179.9	-49.3	0	0	0	0	111.5	N58 P351 P360 G395 F397	N58-S60 PolarHBondContact O-N 3.31Å; N58-S60 VanDerWaalsContact O-N 3.16Å; N58-S60 WeakPolarHBondContact OD1-CA 3.44Å; N58-S60 VanDerWaalsContact OD1-CB 3.23Å; N58-S60 WeakPolarHBondContact OD1-CB 3.33Å; N58-S60 PolarHBondContact OD1-N 2.95Å; N58-S60 PolarHBondContact OD1-OG 3.27Å; S60-P351 WeakPolarHBondContact OG-CD 3.44Å; S60-P351 WeakPolarHBondContact OG-CG 3.43Å; S60-P360 WeakPolarHBondContact OG-CG 3.45Å; S60-G395 WeakPolarHBondContact O-CA 3.44Å; S60-F397 WeakPolarHBondContact O-CE2 3.48Å
61	T	98.2	Very high	98.6	Very high	36 Å²	36	40.9 Å²	40.9	22%	0.221	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-20.3	-174.9	65.6	0	0	0	0	113.4	N58 P59 E63 R394	N58-T61 PolarHBondContact O-N 2.96Å; P59-T61 VanDerWaalsContact C-N 3.32Å; T61-E63 PolarHBondContact O-N 3.41Å; T61-E63 WeakPolarHBondContact OG1-CB 3.48Å; T61-E63 PolarHBondContact OG1-N 3.33Å; T61-R394 PolarHBondContact O-NE 2.88Å; T61-R394 PolarHBondContact O-NH2 3.08Å
62	G	97.6	Very high	98.6	Very high	36 Å²	36	40.9 Å²	40.9	37%	0.371	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	7.4	-170.5	0	0	0	0	0	113.8	N58	N58-G62 WeakPolarHBondContact O-CA 3.47Å; N58-G62 PolarHBondContact O-N 3.27Å
63	E	98.3	Very high	98.6	Very high	110 Å²	110	41.4 Å²	41.4	51%	0.514	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	150.2	-178.1	-69.2	173.7	164.6	0	0	111.8	I57 N58 T61 I65 R394	I57-E63 CarbonylContact C-O 3.44Å; I57-E63 WeakPolarHBondContact CA-O 3.44Å; I57-E63 WeakPolarHBondContact CG2-O 3.46Å; N58-E63 PolarHBondContact N-O 3.16Å; T61-E63 PolarHBondContact O-N 3.41Å; T61-E63 WeakPolarHBondContact OG1-CB 3.48Å; T61-E63 PolarHBondContact OG1-N 3.33Å; E63-I65 PolarHBondContact O-N 3.35Å; E63-R394 VanDerWaalsContact CG-NH2 3.28Å; E63-R394 IonicContact OE1-CZ 2.93Å; E63-R394 IonicContact OE1-NH2 3.91Å; E63-R394 PolarHBondContact OE1-NH2 2.74Å; E63-R394 IonicContact OE2-NH2 3.46Å; E63-R394 PolarHBondContact OE2-NH2 2.9Å
64	I	98.6	Very high	98.6	Very high	100 Å²	100	40.6 Å²	40.6	51%	0.513	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.1	172.4	-61.6	173.1	0	0	0	108.8	P55	P55-I64 HydrophobicContact CB-CD1 3.94Å; P55-I64 HydrophobicContact CB-CG1 3.92Å; P55-I64 HydrophobicContact CB-CG2 3.91Å
65	I	98.7	Very high	98.6	Very high	43 Å²	43	40.2 Å²	40.2	22%	0.221	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-58.4	171.6	-59.8	161.3	0	0	0	108.7	V34 T56 N58 E63 L125 D126 L216	V34-I65 HydrophobicContact CG2-CG2 3.75Å; T56-I65 HydrophobicContact CG2-CB 4.1Å; T56-I65 HydrophobicContact CG2-CD1 4.35Å; T56-I65 PolarHBondContact O-N 2.84Å; N58-I65 HydrophobicContact CB-CD1 4.02Å; N58-I65 HydrophobicContact CB-CG1 3.77Å; E63-I65 PolarHBondContact O-N 3.35Å; I65-L125 HydrophobicContact CD1-CD2 4.21Å; I65-L125 HydrophobicContact CD1-CG 3.93Å; I65-L125 HydrophobicContact CG1-CD2 4.26Å; I65-L125 HydrophobicContact CG1-CG 4.22Å; I65-L125 HydrophobicContact CG2-CD2 3.78Å; I65-D126 HydrophobicContact CD1-CB 4.3Å; I65-D126 WeakPolarHBondContact CD1-OD1 3.4Å; I65-L216 HydrophobicContact CD1-CD1 4.46Å; I65-L216 HydrophobicContact CG2-CD1 3.92Å
66	C	98.8	Very high	98.6	Very high	23 Å²	23	37.4 Å²	37.4	16%	0.155	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	173.8	175.9	72.1	0	0	0	0	111.7	T56	T56-C66 PolarHBondContact N-O 3.39Å; T56-C66 VanDerWaalsContact N-O 3.07Å
67	Q	98.8	Very high	98.7	Very high	76 Å²	76	40.4 Å²	40.4	36%	0.355	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	142.5	165.8	-66.4	-62.7	-42.2	0	0	109.9	N37 T53 F54	N37-Q67 WeakPolarHBondContact CB-O 3.45Å; N37-Q67 PolarHBondContact ND2-O 3.29Å; T53-Q67 HydrophobicContact CG2-CB 4.45Å; T53-Q67 PolarHBondContact OG1-OE1 3.35Å; F54-Q67 VanDerWaalsContact C-OE1 3.24Å; F54-Q67 PolarHBondContact O-OE1 2.69Å
68	V	98.9	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.3	178.8	-175.7	0	0	0	0	109.1	N37 T53 F54 T56 E70 P215 L216 L219 P239	N37-V68 HydrophobicContact CB-CG2 4.3Å; N37-V68 CarbonylContact O-C 3.57Å; N37-V68 WeakPolarHBondContact O-CA 3.33Å; N37-V68 WeakPolarHBondContact O-CG1 3.36Å; T53-V68 CarbonylContact C-O 3.59Å; T53-V68 WeakPolarHBondContact CA-O 3.46Å; T53-V68 VanDerWaalsContact CB-O 3.25Å; T53-V68 WeakPolarHBondContact CB-O 3.38Å; F54-V68 WeakPolarHBondContact CD1-O 3.25Å; F54-V68 HydrophobicContact CE1-CB 4.1Å; F54-V68 HydrophobicContact CE1-CG1 4.14Å; F54-V68 HydrophobicContact CE2-CB 4.24Å; F54-V68 HydrophobicContact CZ-CB 3.93Å; F54-V68 HydrophobicContact CZ-CG1 3.97Å; F54-V68 PolarHBondContact N-O 3.48Å; F54-V68 PolarHBondContact O-N 2.88Å; T56-V68 HydrophobicContact CG2-CG2 4.05Å; V68-E70 PolarHBondContact O-N 2.69Å; V68-P215 HydrophobicContact CB-CG 4.46Å; V68-P215 HydrophobicContact CG1-CB 4.3Å; V68-P215 HydrophobicContact CG1-CG 4.19Å; V68-P215 HydrophobicContact CG2-CG 3.89Å; V68-L216 HydrophobicContact CG2-CD2 3.88Å; V68-L219 HydrophobicContact CG1-CD1 4.19Å; V68-P239 HydrophobicContact CG1-CB 3.53Å; V68-P239 HydrophobicContact CG1-CG 3.59Å
69	A	98.8	Very high	98.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	133	177.3	0	0	0	0	0	111.4	N37 L39 A48 F54 P239	N37-A69 PolarHBondContact O-N 2.64Å; L39-A69 HydrophobicContact CD2-CB 3.8Å; L39-A69 HydrophobicContact CG-CB 3.99Å; A48-A69 HydrophobicContact CB-CB 4.49Å; F54-A69 WeakPolarHBondContact CE1-O 3.47Å; A69-P239 WeakPolarHBondContact O-CG 3.23Å
70	E	98.8	Very high	98.7	Very high	34 Å²	34	40.4 Å²	40.4	16%	0.159	22%	0.217	C	C	.	.			trans	-97.3	94	-177.6	-166.2	-174.6	143.5	0	0	110.3	A48 K52 F54 V68 D72	A48-E70 VanDerWaalsContact CB-O 3.26Å; A48-E70 WeakPolarHBondContact CB-O 3.48Å; K52-E70 HydrophobicContact CB-CB 4.01Å; K52-E70 PolarHBondContact O-N 3.23Å; F54-E70 HydrophobicContact CD1-CB 3.78Å; F54-E70 HydrophobicContact CD1-CG 3.88Å; F54-E70 HydrophobicContact CE1-CB 4.48Å; V68-E70 PolarHBondContact O-N 2.69Å; E70-D72 PolarHBondContact O-N 3.38Å
71	A	98.8	Very high	98.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-61.3	138	175	0	0	0	0	0	111.1	L39 D75 L238 P239 A245	L39-A71 HydrophobicContact CD1-CB 4.39Å; L39-A71 HydrophobicContact CD2-CB 3.79Å; A71-D75 HydrophobicContact CB-CB 4.08Å; A71-L238 HydrophobicContact CB-CB 3.91Å; A71-L238 HydrophobicContact CB-CD2 4.46Å; A71-P239 WeakPolarHBondContact CB-O 3.41Å; A71-P239 PolarHBondContact N-O 2.94Å; A71-A245 HydrophobicContact CB-CB 4.18Å
72	D	98.6	Very high	98.7	Very high	57 Å²	57	44.8 Å²	44.8	31%	0.305	23%	0.232	S	C	.	.			trans	-126.8	-173.4	168.4	-155.2	-19.9	0	0	0	109.6	E70 A74 D75 V76 T244	E70-D72 PolarHBondContact O-N 3.38Å; D72-A74 VanDerWaalsContact C-N 3.26Å; D72-A74 PolarHBondContact O-N 2.92Å; D72-A74 VanDerWaalsContact O-N 3.16Å; D72-D75 PolarHBondContact N-OD2 3.2Å; D72-D75 VanDerWaalsContact N-OD2 3.1Å; D72-D75 WeakPolarHBondContact O-CB 3.5Å; D72-D75 PolarHBondContact O-N 3.21Å; D72-V76 PolarHBondContact O-N 3.33Å; D72-T244 WeakPolarHBondContact OD1-CB 3.28Å
73	K	98.8	Very high	98.8	Very high	126 Å²	126	43.1 Å²	43.1	55%	0.548	21%	0.214	S	C	.	.	H	α-helix	trans	-49.5	-43.1	-177.9	-176	177.6	178.3	-180	0	113.5	D75 V76 D77 A248	K73-D75 VanDerWaalsContact C-N 3.26Å; K73-D75 PolarHBondContact O-N 3.39Å; K73-V76 WeakPolarHBondContact O-CB 3.37Å; K73-V76 PolarHBondContact O-N 3.17Å; K73-D77 PolarHBondContact O-N 2.91Å; K73-A248 HydrophobicContact CB-CB 3.97Å; K73-A248 HydrophobicContact CG-CB 4.02Å
74	A	98.8	Very high	98.8	Very high	45 Å²	45	42 Å²	42	37%	0.372	21%	0.208	S	C	.	.	H	α-helix	trans	-63.1	-32.4	-179.8	0	0	0	0	0	113	V49 D72 K78	V49-A74 HydrophobicContact CB-CB 4.19Å; V49-A74 HydrophobicContact CG1-CB 4.14Å; V49-A74 HydrophobicContact CG2-CB 4.35Å; D72-A74 VanDerWaalsContact C-N 3.26Å; D72-A74 PolarHBondContact O-N 2.92Å; D72-A74 VanDerWaalsContact O-N 3.16Å; A74-K78 WeakPolarHBondContact O-CG 3.11Å; A74-K78 PolarHBondContact O-N 3.49Å
75	D	98.9	Very high	98.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-76.1	-38	175.8	-58.2	-68.2	0	0	0	111.5	L39 V49 A71 D72 K73 D77 K78 A79	L39-D75 HydrophobicContact CD1-CB 3.67Å; L39-D75 WeakPolarHBondContact CD1-OD1 3.26Å; V49-D75 VanDerWaalsContact CG2-OD1 3.29Å; V49-D75 WeakPolarHBondContact CG2-OD1 3.08Å; V49-D75 PolarHBondContact N-OD1 3.43Å; A71-D75 HydrophobicContact CB-CB 4.08Å; D72-D75 PolarHBondContact N-OD2 3.2Å; D72-D75 VanDerWaalsContact N-OD2 3.1Å; D72-D75 WeakPolarHBondContact O-CB 3.5Å; D72-D75 PolarHBondContact O-N 3.21Å; K73-D75 VanDerWaalsContact C-N 3.26Å; K73-D75 PolarHBondContact O-N 3.39Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-K78 WeakPolarHBondContact O-CB 3.38Å; D75-K78 PolarHBondContact O-N 2.78Å; D75-A79 PolarHBondContact O-N 3.03Å
76	V	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-46.2	171	174.6	0	0	0	0	110.5	D72 K73 K78 A79 V80 L238 A245 A248 I249	D72-V76 PolarHBondContact O-N 3.33Å; K73-V76 WeakPolarHBondContact O-CB 3.37Å; K73-V76 PolarHBondContact O-N 3.17Å; V76-K78 VanDerWaalsContact C-N 3.28Å; V76-K78 PolarHBondContact O-N 3.13Å; V76-A79 PolarHBondContact O-N 2.9Å; V76-A79 VanDerWaalsContact O-N 3.13Å; V76-V80 HydrophobicContact CG1-CG2 4.09Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.33Å; V76-L238 HydrophobicContact CB-CD1 4.29Å; V76-L238 HydrophobicContact CG2-CD1 3.69Å; V76-A245 HydrophobicContact CG2-CB 4.25Å; V76-A248 HydrophobicContact CB-CB 4.1Å; V76-A248 HydrophobicContact CG1-CB 4.17Å; V76-A248 HydrophobicContact CG2-CB 3.98Å; V76-I249 HydrophobicContact CB-CG1 4.5Å; V76-I249 HydrophobicContact CG1-CG1 3.61Å; V76-I249 HydrophobicContact CG2-CG1 4.01Å
77	D	98.9	Very high	98.8	Very high	65 Å²	65	38.8 Å²	38.8	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-40.5	178.1	-64.1	-14.6	0	0	0	111.2	K73 D75 K81 H252	K73-D77 PolarHBondContact O-N 2.91Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D77-K81 WeakPolarHBondContact O-CB 3.18Å; D77-K81 PolarHBondContact O-N 3.28Å; D77-H252 IonicContact OD1-CD2 3.15Å; D77-H252 PolarHBondContact OD1-CD2 3.42Å; D77-H252 VanDerWaalsContact OD1-CD2 3.24Å; D77-H252 IonicContact OD1-NE2 2.78Å; D77-H252 PolarHBondContact OD1-NE2 2.97Å
78	K	98.9	Very high	98.8	Very high	77 Å²	77	42 Å²	42	34%	0.335	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-45.8	174.3	-73.5	169.8	61.3	-167.6	0	111.9	I41 Q46 V49 A74 D75 V76 K81 A82	I41-K78 HydrophobicContact CD1-CB 4.22Å; Q46-K78 VanDerWaalsContact OE1-CE 3.25Å; V49-K78 HydrophobicContact CG2-CD 3.68Å; A74-K78 WeakPolarHBondContact O-CG 3.11Å; A74-K78 PolarHBondContact O-N 3.49Å; D75-K78 WeakPolarHBondContact O-CB 3.38Å; D75-K78 PolarHBondContact O-N 2.78Å; V76-K78 VanDerWaalsContact C-N 3.28Å; V76-K78 PolarHBondContact O-N 3.13Å; K78-K81 PolarHBondContact O-N 3.32Å; K78-A82 PolarHBondContact O-N 3.49Å
79	A	98.9	Very high	98.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-40.8	-179.9	0	0	0	0	0	112.4	I41 D75 V76 K81 A82 A83 V207 N236 L238	I41-A79 HydrophobicContact CD1-CB 4.1Å; I41-A79 HydrophobicContact CG1-CB 4.15Å; D75-A79 PolarHBondContact O-N 3.03Å; V76-A79 PolarHBondContact O-N 2.9Å; V76-A79 VanDerWaalsContact O-N 3.13Å; A79-K81 VanDerWaalsContact C-N 3.35Å; A79-A82 WeakPolarHBondContact O-CB 3.45Å; A79-A82 PolarHBondContact O-N 3.36Å; A79-A83 WeakPolarHBondContact O-CB 3.45Å; A79-A83 PolarHBondContact O-N 3.19Å; A79-V207 HydrophobicContact CB-CG1 3.85Å; A79-V207 HydrophobicContact CB-CG2 4.13Å; A79-N236 HydrophobicContact CB-CB 3.92Å; A79-L238 HydrophobicContact CB-CD1 3.81Å; A79-L238 HydrophobicContact CB-CD2 4.21Å; A79-L238 HydrophobicContact CB-CG 4.28Å
80	V	98.9	Very high	98.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-42.1	175.6	173.2	0	0	0	0	110.5	V76 A82 A83 H84 V178 V207 H252 D254 V255	V76-V80 HydrophobicContact CG1-CG2 4.09Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.33Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.89Å; V80-A83 PolarHBondContact O-N 3.24Å; V80-H84 VanDerWaalsContact O-CB 3.29Å; V80-H84 WeakPolarHBondContact O-CB 3.35Å; V80-H84 PolarHBondContact O-N 3.34Å; V80-V178 HydrophobicContact CG1-CG1 4.42Å; V80-V207 HydrophobicContact CG2-CG2 3.97Å; V80-H252 VanDerWaalsContact CG1-CE1 3.42Å; V80-H252 WeakPolarHBondContact CG1-CE1 3.48Å; V80-D254 HydrophobicContact CG1-CB 3.9Å; V80-D254 WeakPolarHBondContact CG1-O 3.3Å; V80-V255 HydrophobicContact CG1-CG2 4.3Å; V80-V255 HydrophobicContact CG2-CG2 3.67Å
81	K	98.9	Very high	98.8	Very high	142 Å²	142	50.7 Å²	50.7	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-60.8	-40.5	174.5	-174	175	-178.8	178	0	112.3	D77 K78 A79 N85	D77-K81 WeakPolarHBondContact O-CB 3.18Å; D77-K81 PolarHBondContact O-N 3.28Å; K78-K81 PolarHBondContact O-N 3.32Å; A79-K81 VanDerWaalsContact C-N 3.35Å; K81-N85 WeakPolarHBondContact O-CB 3.31Å; K81-N85 PolarHBondContact O-N 3.04Å; K81-N85 PolarHBondContact O-ND2 3.48Å; K81-N85 PolarHBondContact O-OD1 3.17Å
82	A	98.9	Very high	98.8	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-51.3	173.9	0	0	0	0	0	111.9	I41 N42 K78 A79 V80 H84 N85 A86	I41-A82 HydrophobicContact CG2-CB 3.75Å; N42-A82 WeakPolarHBondContact OD1-CB 3.13Å; K78-A82 PolarHBondContact O-N 3.49Å; A79-A82 WeakPolarHBondContact O-CB 3.45Å; A79-A82 PolarHBondContact O-N 3.36Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.89Å; A82-H84 PolarHBondContact O-N 2.87Å; A82-N85 PolarHBondContact O-N 3.19Å; A82-A86 PolarHBondContact O-N 3.49Å
83	A	98.9	Very high	98.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-48.1	176.9	0	0	0	0	0	112.4	A79 V80 N85 A86 F87 V178 T205 V207 G233	A79-A83 WeakPolarHBondContact O-CB 3.45Å; A79-A83 PolarHBondContact O-N 3.19Å; V80-A83 PolarHBondContact O-N 3.24Å; A83-N85 VanDerWaalsContact C-N 3.32Å; A83-N85 PolarHBondContact O-N 3.27Å; A83-A86 PolarHBondContact O-N 3.41Å; A83-F87 WeakPolarHBondContact O-CB 3.34Å; A83-F87 PolarHBondContact O-N 3.37Å; A83-V178 HydrophobicContact CB-CG1 3.8Å; A83-V178 HydrophobicContact CB-CG2 4.08Å; A83-T205 PolarHBondContact O-OG1 3.34Å; A83-V207 HydrophobicContact CB-CG2 3.93Å; A83-G233 VanDerWaalsContact CA-O 3.28Å; A83-G233 WeakPolarHBondContact CA-O 3.34Å
84	H	98.7	Very high	98.7	Very high	86 Å²	86	50.4 Å²	50.4	40%	0.398	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-41.3	177.6	-179.3	-90.3	0	0	0	111.9	V80 A82 F87 R88 V178	V80-H84 VanDerWaalsContact O-CB 3.29Å; V80-H84 WeakPolarHBondContact O-CB 3.35Å; V80-H84 PolarHBondContact O-N 3.34Å; A82-H84 PolarHBondContact O-N 2.87Å; H84-F87 PolarHBondContact O-N 3.02Å; H84-R88 WeakPolarHBondContact O-CG 3.46Å; H84-R88 PolarHBondContact O-N 3.44Å; H84-V178 HydrophobicContact CB-CG2 4.17Å
85	N	98.8	Very high	98.7	Very high	60 Å²	60	57.4 Å²	57.4	32%	0.321	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.7	-70	-18.4	0	0	0	112.2	K81 A82 A83 F87 R88	K81-N85 WeakPolarHBondContact O-CB 3.31Å; K81-N85 PolarHBondContact O-N 3.04Å; K81-N85 PolarHBondContact O-ND2 3.48Å; K81-N85 PolarHBondContact O-OD1 3.17Å; A82-N85 PolarHBondContact O-N 3.19Å; A83-N85 VanDerWaalsContact C-N 3.32Å; A83-N85 PolarHBondContact O-N 3.27Å; N85-F87 PolarHBondContact O-N 3.41Å; N85-R88 PolarHBondContact O-N 3.26Å; N85-R88 PolarHBondContact OD1-NE 3.49Å; N85-R88 VanDerWaalsContact OD1-NE 3.16Å; N85-R88 PolarHBondContact OD1-NH2 2.97Å
86	A	98.9	Very high	98.7	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-27.4	174.4	0	0	0	0	0	112.3	A82 A83 S91 T205 E232 V234	A82-A86 PolarHBondContact O-N 3.49Å; A83-A86 PolarHBondContact O-N 3.41Å; A86-S91 VanDerWaalsContact O-CB 3.32Å; A86-S91 WeakPolarHBondContact O-CB 3.39Å; A86-S91 PolarHBondContact O-OG 3.41Å; A86-T205 HydrophobicContact CB-CG2 4.01Å; A86-E232 WeakPolarHBondContact CB-O 3.17Å; A86-V234 HydrophobicContact CB-CG2 4.14Å
87	F	98.8	Very high	98.7	Very high	28 Å²	28	64.3 Å²	64.3	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-88	-5.9	-179.8	-166	-109.6	0	0	0	115.1	A83 H84 N85 R94 P175 T205	A83-F87 WeakPolarHBondContact O-CB 3.34Å; A83-F87 PolarHBondContact O-N 3.37Å; H84-F87 PolarHBondContact O-N 3.02Å; N85-F87 PolarHBondContact O-N 3.41Å; F87-R94 HydrophobicContact CD2-CG 4.49Å; F87-R94 WeakPolarHBondContact O-CD 3.35Å; F87-R94 WeakPolarHBondContact O-CG 3.38Å; F87-R94 PolarHBondContact O-NH1 3.19Å; F87-P175 HydrophobicContact CE2-CB 3.74Å; F87-P175 HydrophobicContact CE2-CG 3.85Å; F87-P175 HydrophobicContact CZ-CB 4.02Å; F87-P175 HydrophobicContact CZ-CG 4.17Å; F87-T205 HydrophobicContact CB-CG2 3.86Å; F87-T205 HydrophobicContact CD2-CG2 4.18Å; F87-T205 HydrophobicContact CG-CG2 4.49Å
88	R	98.4	Very high	98.7	Very high	144 Å²	144	62.8 Å²	62.8	54%	0.543	31%	0.312	S	S	.	.	S	Bend	trans	-57.9	142.7	-177.9	-72	179.9	-174.7	-168.6	1.6	112.2	H84 N85 G90 S91 R94	H84-R88 WeakPolarHBondContact O-CG 3.46Å; H84-R88 PolarHBondContact O-N 3.44Å; N85-R88 PolarHBondContact O-N 3.26Å; N85-R88 PolarHBondContact OD1-NE 3.49Å; N85-R88 VanDerWaalsContact OD1-NE 3.16Å; N85-R88 PolarHBondContact OD1-NH2 2.97Å; R88-G90 PolarHBondContact O-N 3.15Å; R88-S91 WeakPolarHBondContact O-CB 3.22Å; R88-S91 PolarHBondContact O-N 2.89Å; R88-S91 PolarHBondContact O-OG 2.82Å; R88-R94 VanDerWaalsContact O-CG 3.26Å; R88-R94 WeakPolarHBondContact O-CG 3.18Å
89	L	98.3	Very high	98.7	Very high	158 Å²	158	62 Å²	62	83%	0.827	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	127.9	172.9	-175.8	66.8	0	0	0	109.9
90	G	98	Very high	98.7	Very high	44 Å²	44	64 Å²	64	45%	0.454	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-5.2	-177.6	0	0	0	0	0	115.4	R88 R95	R88-G90 PolarHBondContact O-N 3.15Å; G90-R95 WeakPolarHBondContact O-CD 3.48Å
91	S	98.8	Very high	98.7	Very high	15 Å²	15	65.6 Å²	65.6	11%	0.105	33%	0.332	C	S	.	.	S	Bend	trans	-63.1	160.9	174	80.7	0	0	0	0	112	A86 R88 W93 R94 R95	A86-S91 VanDerWaalsContact O-CB 3.32Å; A86-S91 WeakPolarHBondContact O-CB 3.39Å; A86-S91 PolarHBondContact O-OG 3.41Å; R88-S91 WeakPolarHBondContact O-CB 3.22Å; R88-S91 PolarHBondContact O-N 2.89Å; R88-S91 PolarHBondContact O-OG 2.82Å; S91-W93 PolarHBondContact O-N 3.46Å; S91-W93 PolarHBondContact OG-N 2.83Å; S91-R94 PolarHBondContact O-N 3.29Å; S91-R94 WeakPolarHBondContact OG-CG 3.47Å; S91-R94 PolarHBondContact OG-N 2.64Å; S91-R94 VanDerWaalsContact OG-N 3.1Å; S91-R95 WeakPolarHBondContact O-CB 3.44Å; S91-R95 WeakPolarHBondContact O-CG 3.28Å; S91-R95 PolarHBondContact O-N 3.18Å
92	P	98.8	Very high	98.7	Very high	99 Å²	99	59 Å²	59	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-52.3	-42.9	172.7	-27.8	36	0	0	0	112.6	M96 P231	P92-M96 WeakPolarHBondContact O-CB 3.17Å; P92-M96 PolarHBondContact O-N 3.06Å; P92-P231 HydrophobicContact CB-CG 4.45Å
93	W	98.8	Very high	98.7	Very high	3 Å²	3	64.7 Å²	64.7	1%	0.011	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-41.7	-179.5	-172.9	-123.7	0	0	0	112.9	S91 R95 M96 R101 L104 L200 G203 N204 F230 P231 V234	S91-W93 PolarHBondContact O-N 3.46Å; S91-W93 PolarHBondContact OG-N 2.83Å; W93-R95 VanDerWaalsContact C-N 3.35Å; W93-M96 HydrophobicContact CE3-CE 4Å; W93-M96 HydrophobicContact CE3-SD 3.87Å; W93-M96 HydrophobicContact CZ3-CE 4.2Å; W93-M96 HydrophobicContact CZ3-SD 3.67Å; W93-M96 PolarHBondContact O-N 2.84Å; W93-R101 HydrophobicContact CE3-CG 4.45Å; W93-R101 HydrophobicContact CH2-CB 4.09Å; W93-R101 HydrophobicContact CH2-CG 3.65Å; W93-R101 HydrophobicContact CZ2-CG 4.25Å; W93-R101 HydrophobicContact CZ3-CB 4.44Å; W93-R101 HydrophobicContact CZ3-CG 3.77Å; W93-L104 HydrophobicContact CZ3-CD1 4.08Å; W93-L200 HydrophobicContact CH2-CD2 4.42Å; W93-L200 HydrophobicContact CZ2-CB 4.49Å; W93-L200 HydrophobicContact CZ2-CD2 4.03Å; W93-G203 PolarHBondContact NE1-O 3.46Å; W93-G203 VanDerWaalsContact NE1-O 3.08Å; W93-N204 PolarHBondContact NE1-O 3.3Å; W93-F230 HydrophobicContact CH2-CD1 4.08Å; W93-F230 AromaticContact CH2-CE1 3.91Å; W93-F230 HydrophobicContact CH2-CE1 3.91Å; W93-F230 HydrophobicContact CZ3-CD1 4.04Å; W93-F230 HydrophobicContact CZ3-CE1 4.21Å; W93-P231 HydrophobicContact CB-CG 4.43Å; W93-P231 HydrophobicContact CE3-CG 4.12Å; W93-V234 HydrophobicContact CB-CG2 3.78Å; W93-V234 HydrophobicContact CD2-CB 4.47Å; W93-V234 HydrophobicContact CD2-CG1 3.88Å; W93-V234 HydrophobicContact CD2-CG2 3.66Å; W93-V234 HydrophobicContact CE3-CG1 4.24Å; W93-V234 HydrophobicContact CE3-CG2 4.04Å; W93-V234 HydrophobicContact CG-CG1 4.4Å; W93-V234 HydrophobicContact CG-CG2 3.53Å; W93-V234 HydrophobicContact CH2-CG1 4.16Å; W93-V234 HydrophobicContact CZ2-CG1 3.77Å; W93-V234 HydrophobicContact CZ3-CG1 4.37Å
94	R	98.5	Very high	98.7	Very high	75 Å²	75	65.2 Å²	65.2	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-73.6	-24.9	179.5	-70.6	-62.9	-60.9	-84	5.7	114	F87 R88 S91	F87-R94 HydrophobicContact CD2-CG 4.49Å; F87-R94 WeakPolarHBondContact O-CD 3.35Å; F87-R94 WeakPolarHBondContact O-CG 3.38Å; F87-R94 PolarHBondContact O-NH1 3.19Å; R88-R94 VanDerWaalsContact O-CG 3.26Å; R88-R94 WeakPolarHBondContact O-CG 3.18Å; S91-R94 PolarHBondContact O-N 3.29Å; S91-R94 WeakPolarHBondContact OG-CG 3.47Å; S91-R94 PolarHBondContact OG-N 2.64Å; S91-R94 VanDerWaalsContact OG-N 3.1Å
95	R	98.7	Very high	98.7	Very high	192 Å²	192	61.1 Å²	61.1	73%	0.725	31%	0.31	S	S	*	.	H	α-helix	trans	-93.5	-11.4	177.1	-68	-176.3	65.8	-177	-0.9	113.3	G90 S91 W93	G90-R95 WeakPolarHBondContact O-CD 3.48Å; S91-R95 WeakPolarHBondContact O-CB 3.44Å; S91-R95 WeakPolarHBondContact O-CG 3.28Å; S91-R95 PolarHBondContact O-N 3.18Å; W93-R95 VanDerWaalsContact C-N 3.35Å
96	M	98.8	Very high	98.7	Very high	42 Å²	42	63.2 Å²	63.2	21%	0.207	31%	0.314	C	S	.	.	S	Bend	trans	-62.3	135.2	178.6	-172.6	176.5	-70	0	0	110.2	P92 W93 D100 R101 L104 P231	P92-M96 WeakPolarHBondContact O-CB 3.17Å; P92-M96 PolarHBondContact O-N 3.06Å; W93-M96 HydrophobicContact CE3-CE 4Å; W93-M96 HydrophobicContact CE3-SD 3.87Å; W93-M96 HydrophobicContact CZ3-CE 4.2Å; W93-M96 HydrophobicContact CZ3-SD 3.67Å; W93-M96 PolarHBondContact O-N 2.84Å; M96-D100 HydrophobicContact CG-CB 3.65Å; M96-D100 HydrophobicContact SD-CB 4.18Å; M96-R101 HydrophobicContact CG-CG 4.21Å; M96-R101 HydrophobicContact SD-CG 3.81Å; M96-L104 HydrophobicContact CE-CD1 3.75Å; M96-L104 HydrophobicContact SD-CD1 3.68Å; M96-P231 HydrophobicContact CE-CG 3.96Å
97	D	98.9	Very high	98.7	Very high	105 Å²	105	67.2 Å²	67.2	56%	0.561	33%	0.329	S	S	*	.			trans	-57.8	143.2	173.3	-68	-24	0	0	0	110.3	S99 D100 R101	D97-S99 PolarHBondContact O-N 2.93Å; D97-D100 HydrophobicContact CB-CB 4.21Å; D97-D100 WeakPolarHBondContact O-CB 3.35Å; D97-D100 PolarHBondContact O-N 3.31Å; D97-R101 PolarHBondContact O-N 2.84Å
98	A	98.9	Very high	98.8	Very high	33 Å²	33	65.9 Å²	65.9	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-58.9	-38.6	-179.6	0	0	0	0	0	112.4	D100 R101 G102 A153 D154	A98-D100 VanDerWaalsContact C-N 3.32Å; A98-D100 PolarHBondContact O-N 3.46Å; A98-R101 WeakPolarHBondContact O-CB 3.43Å; A98-R101 PolarHBondContact O-N 2.87Å; A98-G102 PolarHBondContact O-N 2.78Å; A98-A153 WeakPolarHBondContact CB-O 3.38Å; A98-A153 VanDerWaalsContact O-CB 3.23Å; A98-A153 WeakPolarHBondContact O-CB 3.23Å; A98-D154 HydrophobicContact CB-CB 3.78Å
99	S	98.9	Very high	98.8	Very high	59 Å²	59	59 Å²	59	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-34.4	174.5	53	0	0	0	0	112.8	D97 G102 R103	D97-S99 PolarHBondContact O-N 2.93Å; S99-G102 CarbonylContact O-C 3.55Å; S99-G102 WeakPolarHBondContact O-CA 3.28Å; S99-G102 PolarHBondContact O-N 3.02Å; S99-G102 VanDerWaalsContact O-N 3.16Å; S99-R103 PolarHBondContact O-N 3.31Å
100	D	98.9	Very high	98.8	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-32.3	178	-89	4.7	0	0	0	112.3	M96 D97 A98 G102 R103 L104	M96-D100 HydrophobicContact CG-CB 3.65Å; M96-D100 HydrophobicContact SD-CB 4.18Å; D97-D100 HydrophobicContact CB-CB 4.21Å; D97-D100 WeakPolarHBondContact O-CB 3.35Å; D97-D100 PolarHBondContact O-N 3.31Å; A98-D100 VanDerWaalsContact C-N 3.32Å; A98-D100 PolarHBondContact O-N 3.46Å; D100-G102 VanDerWaalsContact C-N 3.32Å; D100-R103 VanDerWaalsContact CG-CZ 3.48Å; D100-R103 WeakPolarHBondContact O-CB 3.18Å; D100-R103 PolarHBondContact O-N 3.26Å; D100-R103 IonicContact OD1-CZ 3.53Å; D100-R103 IonicContact OD1-NE 3.71Å; D100-R103 IonicContact OD1-NH1 2.69Å; D100-R103 PolarHBondContact OD1-NH1 2.98Å; D100-R103 IonicContact OD1-NH2 3.48Å; D100-R103 PolarHBondContact OD1-NH2 3.17Å; D100-R103 VanDerWaalsContact OD1-NH2 3.12Å; D100-R103 IonicContact OD2-CZ 2.88Å; D100-R103 IonicContact OD2-NH1 3.24Å; D100-R103 IonicContact OD2-NH2 3.63Å; D100-R103 PolarHBondContact OD2-NH2 3.21Å; D100-L104 PolarHBondContact O-N 3.36Å
101	R	98.9	Very high	98.9	Very high	35 Å²	35	53.4 Å²	53.4	13%	0.132	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-42.8	167.3	-60.5	-164.9	-59	-84.4	-2.3	111.1	W93 M96 D97 A98 R103 L104 L105 A153 L200 A201	W93-R101 HydrophobicContact CE3-CG 4.45Å; W93-R101 HydrophobicContact CH2-CB 4.09Å; W93-R101 HydrophobicContact CH2-CG 3.65Å; W93-R101 HydrophobicContact CZ2-CG 4.25Å; W93-R101 HydrophobicContact CZ3-CB 4.44Å; W93-R101 HydrophobicContact CZ3-CG 3.77Å; M96-R101 HydrophobicContact CG-CG 4.21Å; M96-R101 HydrophobicContact SD-CG 3.81Å; D97-R101 PolarHBondContact O-N 2.84Å; A98-R101 WeakPolarHBondContact O-CB 3.43Å; A98-R101 PolarHBondContact O-N 2.87Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R101-R103 PolarHBondContact O-N 3.41Å; R101-L104 PolarHBondContact O-N 3.03Å; R101-L105 PolarHBondContact O-N 3.46Å; R101-L105 VanDerWaalsContact O-N 3.08Å; R101-A153 HydrophobicContact CB-CB 4.3Å; R101-A153 PolarHBondContact NH2-O 2.98Å; R101-L200 WeakPolarHBondContact CD-O 3.33Å; R101-A201 PolarHBondContact NE-O 3.29Å; R101-A201 PolarHBondContact NH2-O 3.19Å
102	G	98.9	Very high	98.9	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-45.2	172.3	0	0	0	0	0	112.1	A98 S99 D100 L104 L105 Y106 A150	A98-G102 PolarHBondContact O-N 2.78Å; S99-G102 CarbonylContact O-C 3.55Å; S99-G102 WeakPolarHBondContact O-CA 3.28Å; S99-G102 PolarHBondContact O-N 3.02Å; S99-G102 VanDerWaalsContact O-N 3.16Å; D100-G102 VanDerWaalsContact C-N 3.32Å; G102-L104 VanDerWaalsContact C-N 3.34Å; G102-L104 PolarHBondContact O-N 2.9Å; G102-L105 PolarHBondContact O-N 2.82Å; G102-Y106 WeakPolarHBondContact O-CD2 3.17Å; G102-Y106 PolarHBondContact O-N 3.34Å; G102-A150 VanDerWaalsContact CA-O 3.32Å; G102-A150 WeakPolarHBondContact CA-O 3.44Å; G102-A150 WeakPolarHBondContact O-CB 3.32Å
103	R	98.9	Very high	98.8	Very high	123 Å²	123	52.6 Å²	52.6	46%	0.464	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-41.4	175.9	-173.3	179.9	67.1	-142	-8	112.5	S99 D100 R101 Y106 K107	S99-R103 PolarHBondContact O-N 3.31Å; D100-R103 VanDerWaalsContact CG-CZ 3.48Å; D100-R103 WeakPolarHBondContact O-CB 3.18Å; D100-R103 PolarHBondContact O-N 3.26Å; D100-R103 IonicContact OD1-CZ 3.53Å; D100-R103 IonicContact OD1-NE 3.71Å; D100-R103 IonicContact OD1-NH1 2.69Å; D100-R103 PolarHBondContact OD1-NH1 2.98Å; D100-R103 IonicContact OD1-NH2 3.48Å; D100-R103 PolarHBondContact OD1-NH2 3.17Å; D100-R103 VanDerWaalsContact OD1-NH2 3.12Å; D100-R103 IonicContact OD2-CZ 2.88Å; D100-R103 IonicContact OD2-NH1 3.24Å; D100-R103 IonicContact OD2-NH2 3.63Å; D100-R103 PolarHBondContact OD2-NH2 3.21Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R101-R103 PolarHBondContact O-N 3.41Å; R103-Y106 PolarHBondContact O-N 3.01Å; R103-K107 WeakPolarHBondContact O-CG 3.26Å; R103-K107 PolarHBondContact O-N 3.35Å
104	L	98.9	Very high	98.8	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-40.7	176.7	-71.6	175.6	0	0	0	112.2	W93 M96 D100 R101 G102 K107 L108 V228 F230	W93-L104 HydrophobicContact CZ3-CD1 4.08Å; M96-L104 HydrophobicContact CE-CD1 3.75Å; M96-L104 HydrophobicContact SD-CD1 3.68Å; D100-L104 PolarHBondContact O-N 3.36Å; R101-L104 PolarHBondContact O-N 3.03Å; G102-L104 VanDerWaalsContact C-N 3.34Å; G102-L104 PolarHBondContact O-N 2.9Å; L104-K107 PolarHBondContact O-N 2.86Å; L104-L108 WeakPolarHBondContact O-CB 3.08Å; L104-L108 PolarHBondContact O-N 3.13Å; L104-V228 VanDerWaalsContact CD2-O 3.25Å; L104-V228 WeakPolarHBondContact CD2-O 3.16Å; L104-F230 HydrophobicContact CB-CD1 4.45Å; L104-F230 HydrophobicContact CB-CD2 4.34Å; L104-F230 HydrophobicContact CB-CE1 3.91Å; L104-F230 HydrophobicContact CB-CE2 3.79Å; L104-F230 HydrophobicContact CB-CZ 3.55Å; L104-F230 HydrophobicContact CD1-CD1 4.07Å; L104-F230 HydrophobicContact CD1-CE1 4.21Å; L104-F230 HydrophobicContact CD1-CG 4.33Å
105	L	98.9	Very high	98.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-39.5	174.7	-78.1	169.8	0	0	0	112.6	R101 G102 L108 A109 L146 A150 L200 A201 F230	R101-L105 PolarHBondContact O-N 3.46Å; R101-L105 VanDerWaalsContact O-N 3.08Å; G102-L105 PolarHBondContact O-N 2.82Å; L105-L108 PolarHBondContact O-N 3.18Å; L105-A109 PolarHBondContact O-N 3.02Å; L105-L146 HydrophobicContact CD2-CD2 4.23Å; L105-A150 HydrophobicContact CB-CB 3.59Å; L105-L200 HydrophobicContact CD1-CB 4.28Å; L105-L200 HydrophobicContact CD2-CB 4.1Å; L105-L200 HydrophobicContact CD2-CD1 4.05Å; L105-L200 HydrophobicContact CG-CB 4.38Å; L105-A201 HydrophobicContact CD1-CB 3.92Å; L105-F230 HydrophobicContact CD2-CZ 4.27Å; L105-F230 HydrophobicContact CG-CZ 4.34Å
106	Y	98.9	Very high	98.8	Very high	103 Å²	103	47.8 Å²	47.8	40%	0.404	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-47.8	172	-84.1	-60.9	0	0	0	111.6	G102 R103 L108 A109 D110 R147 A150	G102-Y106 WeakPolarHBondContact O-CD2 3.17Å; G102-Y106 PolarHBondContact O-N 3.34Å; R103-Y106 PolarHBondContact O-N 3.01Å; Y106-L108 VanDerWaalsContact C-N 3.31Å; Y106-L108 PolarHBondContact O-N 3.06Å; Y106-A109 WeakPolarHBondContact O-CB 3.35Å; Y106-A109 PolarHBondContact O-N 3.5Å; Y106-A109 VanDerWaalsContact O-N 3.13Å; Y106-D110 VanDerWaalsContact O-CG 3.28Å; Y106-D110 PolarHBondContact O-N 2.76Å; Y106-R147 HydrophobicContact CD1-CB 4.3Å; Y106-R147 HydrophobicContact CD1-CG 3.93Å; Y106-R147 HydrophobicContact CE1-CB 3.93Å; Y106-R147 HydrophobicContact CE1-CG 4.01Å; Y106-A150 HydrophobicContact CD1-CB 3.98Å; Y106-A150 HydrophobicContact CD2-CB 3.51Å; Y106-A150 HydrophobicContact CE1-CB 3.99Å; Y106-A150 HydrophobicContact CE2-CB 3.53Å; Y106-A150 HydrophobicContact CG-CB 3.72Å
107	K	98.9	Very high	98.8	Very high	95 Å²	95	47.3 Å²	47.3	41%	0.413	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-39.6	176.6	-73.4	178.4	172.5	-169.6	0	112.6	R103 L104 A109 D110 A111 V228	R103-K107 WeakPolarHBondContact O-CG 3.26Å; R103-K107 PolarHBondContact O-N 3.35Å; L104-K107 PolarHBondContact O-N 2.86Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-D110 PolarHBondContact O-N 2.82Å; K107-A111 WeakPolarHBondContact O-CB 3.4Å; K107-A111 PolarHBondContact O-N 3.24Å; K107-V228 HydrophobicContact CB-CB 3.88Å; K107-V228 HydrophobicContact CB-CG1 4Å
108	L	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-43.8	175.1	-178.1	60.5	0	0	0	111.1	L104 L105 Y106 D110 A111 V112 L146 V221 L224 I225 V228 F230	L104-L108 WeakPolarHBondContact O-CB 3.08Å; L104-L108 PolarHBondContact O-N 3.13Å; L105-L108 PolarHBondContact O-N 3.18Å; Y106-L108 VanDerWaalsContact C-N 3.31Å; Y106-L108 PolarHBondContact O-N 3.06Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.16Å; L108-A111 PolarHBondContact O-N 3.24Å; L108-V112 HydrophobicContact CD1-CG2 4.46Å; L108-V112 WeakPolarHBondContact O-CG2 3.47Å; L108-V112 PolarHBondContact O-N 2.87Å; L108-L146 HydrophobicContact CD2-CD1 4.29Å; L108-L146 HydrophobicContact CD2-CD2 4.3Å; L108-L146 HydrophobicContact CG-CD1 4.13Å; L108-V221 HydrophobicContact CD1-CG1 4.46Å; L108-L224 HydrophobicContact CD1-CB 3.9Å; L108-I225 HydrophobicContact CD1-CG1 3.77Å; L108-I225 HydrophobicContact CD2-CG1 3.89Å; L108-V228 HydrophobicContact CB-CG2 4.23Å; L108-F230 HydrophobicContact CB-CE2 4.25Å; L108-F230 HydrophobicContact CD2-CE2 4.29Å
109	A	98.9	Very high	98.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-40.8	175.7	0	0	0	0	0	111.8	L105 Y106 K107 V112 E113 V143 L146 R147	L105-A109 PolarHBondContact O-N 3.02Å; Y106-A109 WeakPolarHBondContact O-CB 3.35Å; Y106-A109 PolarHBondContact O-N 3.5Å; Y106-A109 VanDerWaalsContact O-N 3.13Å; K107-A109 VanDerWaalsContact C-N 3.34Å; A109-V112 PolarHBondContact O-N 3.48Å; A109-E113 WeakPolarHBondContact O-CB 3.43Å; A109-E113 PolarHBondContact O-N 3.36Å; A109-V143 HydrophobicContact CB-CG1 4.43Å; A109-L146 HydrophobicContact CB-CB 3.81Å; A109-L146 HydrophobicContact CB-CD1 4.31Å; A109-R147 HydrophobicContact CB-CG 3.63Å
110	D	98.9	Very high	98.8	Very high	79 Å²	79	39.8 Å²	39.8	42%	0.422	18%	0.18	S	C	.	.	H	α-helix	trans	-66	-39.1	176.9	-62.2	-19.9	0	0	0	111.8	Y106 K107 L108 E113 R114 R147	Y106-D110 VanDerWaalsContact O-CG 3.28Å; Y106-D110 PolarHBondContact O-N 2.76Å; K107-D110 PolarHBondContact O-N 2.82Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.16Å; D110-E113 PolarHBondContact O-N 2.91Å; D110-R114 WeakPolarHBondContact O-CB 3.49Å; D110-R114 PolarHBondContact O-N 3.28Å; D110-R147 IonicContact OD1-CZ 3.55Å; D110-R147 IonicContact OD1-NE 2.89Å; D110-R147 IonicContact OD1-NH2 3.24Å; D110-R147 PolarHBondContact OD1-NH2 3.06Å
111	A	98.9	Very high	98.8	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-40.1	175.4	0	0	0	0	0	112.3	K107 L108 R114 D115 L224 V228	K107-A111 WeakPolarHBondContact O-CB 3.4Å; K107-A111 PolarHBondContact O-N 3.24Å; L108-A111 PolarHBondContact O-N 3.24Å; A111-R114 WeakPolarHBondContact O-CB 2.79Å; A111-R114 PolarHBondContact O-N 2.96Å; A111-D115 PolarHBondContact O-N 2.93Å; A111-D115 VanDerWaalsContact O-N 3.12Å; A111-L224 HydrophobicContact CB-CB 4.29Å; A111-L224 HydrophobicContact CB-CD1 4.34Å; A111-L224 HydrophobicContact CB-CD2 4.36Å; A111-V228 HydrophobicContact CB-CG1 3.92Å
112	V	98.8	Very high	98.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-40.9	173.5	169.7	0	0	0	0	111.2	L108 A109 D115 S116 L119 L139 V142 V143 L146 V221 L224	L108-V112 HydrophobicContact CD1-CG2 4.46Å; L108-V112 WeakPolarHBondContact O-CG2 3.47Å; L108-V112 PolarHBondContact O-N 2.87Å; A109-V112 PolarHBondContact O-N 3.48Å; V112-D115 CarbonylContact O-C 3.56Å; V112-D115 PolarHBondContact O-N 3.33Å; V112-S116 WeakPolarHBondContact O-CA 3.46Å; V112-S116 PolarHBondContact O-N 2.81Å; V112-S116 PolarHBondContact O-OG 3.16Å; V112-L119 HydrophobicContact CB-CD1 4.42Å; V112-L119 HydrophobicContact CG1-CD1 3.89Å; V112-L119 HydrophobicContact CG2-CD1 4.5Å; V112-L139 HydrophobicContact CG1-CD1 3.77Å; V112-V142 HydrophobicContact CG1-CG1 3.83Å; V112-V143 HydrophobicContact CG1-CG2 4Å; V112-L146 HydrophobicContact CG2-CD1 4.4Å; V112-V221 HydrophobicContact CG2-CG2 4.46Å; V112-L224 HydrophobicContact CG2-CD1 3.85Å
113	E	98.6	Very high	98.8	Very high	98 Å²	98	37.1 Å²	37.1	46%	0.458	17%	0.167	S	C	.	.	H	α-helix	trans	-64.4	-41.3	176.9	-167.9	170.7	-115.8	0	0	111.3	A109 D110 D115 S116 V143 R147	A109-E113 WeakPolarHBondContact O-CB 3.43Å; A109-E113 PolarHBondContact O-N 3.36Å; D110-E113 PolarHBondContact O-N 2.91Å; E113-D115 VanDerWaalsContact C-N 3.33Å; E113-D115 PolarHBondContact O-N 3.43Å; E113-S116 VanDerWaalsContact CA-OG 3.32Å; E113-S116 WeakPolarHBondContact CA-OG 3.22Å; E113-S116 WeakPolarHBondContact O-CB 3.45Å; E113-S116 PolarHBondContact O-N 3.45Å; E113-S116 PolarHBondContact O-OG 2.89Å; E113-V143 HydrophobicContact CB-CG1 4.46Å; E113-V143 HydrophobicContact CB-CG2 4.03Å; E113-R147 IonicContact OE1-CZ 3.87Å; E113-R147 IonicContact OE1-NH1 3.31Å; E113-R147 PolarHBondContact OE1-NH1 3.01Å; E113-R147 IonicContact OE1-NH2 3.97Å; E113-R147 IonicContact OE2-CZ 2.76Å; E113-R147 IonicContact OE2-NH1 3.77Å; E113-R147 PolarHBondContact OE2-NH1 3.24Å; E113-R147 IonicContact OE2-NH2 2.69Å; E113-R147 PolarHBondContact OE2-NH2 3.01Å
114	R	98.6	Very high	98.8	Very high	134 Å²	134	31.3 Å²	31.3	51%	0.506	15%	0.145	S	C	.	.	H	α-helix	trans	-56.5	-45.5	173.3	-178.3	-165.9	70.1	-155.5	-1.4	111.9	D110 A111 E227	D110-R114 WeakPolarHBondContact O-CB 3.49Å; D110-R114 PolarHBondContact O-N 3.28Å; A111-R114 WeakPolarHBondContact O-CB 2.79Å; A111-R114 PolarHBondContact O-N 2.96Å; R114-E227 IonicContact CZ-OE1 2.64Å; R114-E227 IonicContact CZ-OE2 3.81Å; R114-E227 IonicContact NH1-OE1 3.43Å; R114-E227 PolarHBondContact NH1-OE1 2.89Å; R114-E227 IonicContact NH1-OE2 2.8Å; R114-E227 IonicContact NH2-OE1 2.64Å; R114-E227 PolarHBondContact NH2-OE1 3.2Å; R114-E227 IonicContact NH2-OE2 3.5Å; R114-E227 PolarHBondContact NH2-OE2 3.03Å
115	D	98.7	Very high	98.8	Very high	24 Å²	24	31.3 Å²	31.3	13%	0.128	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	14.8	-174	-64.1	-2.2	0	0	0	112.9	A111 V112 E113 A117 Y118 L119 Y220 L224	A111-D115 PolarHBondContact O-N 2.93Å; A111-D115 VanDerWaalsContact O-N 3.12Å; V112-D115 CarbonylContact O-C 3.56Å; V112-D115 PolarHBondContact O-N 3.33Å; E113-D115 VanDerWaalsContact C-N 3.33Å; E113-D115 PolarHBondContact O-N 3.43Å; D115-A117 VanDerWaalsContact C-N 3.28Å; D115-A117 PolarHBondContact O-N 2.92Å; D115-Y118 PolarHBondContact O-N 3.29Å; D115-L119 HydrophobicContact CB-CD1 4.45Å; D115-L119 WeakPolarHBondContact O-CB 3.34Å; D115-L119 PolarHBondContact O-N 3.12Å; D115-Y220 HydrophobicContact CB-CE1 3.95Å; D115-Y220 WeakPolarHBondContact OD2-CE1 3.44Å; D115-Y220 PolarHBondContact OD2-OH 3.1Å; D115-L224 WeakPolarHBondContact OD2-CD2 3.29Å
116	S	98.6	Very high	98.8	Very high	11 Å²	11	31.4 Å²	31.4	8%	0.077	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-32.4	-172.3	-76.6	0	0	0	0	114.4	V112 E113 A120	V112-S116 WeakPolarHBondContact O-CA 3.46Å; V112-S116 PolarHBondContact O-N 2.81Å; V112-S116 PolarHBondContact O-OG 3.16Å; E113-S116 VanDerWaalsContact CA-OG 3.32Å; E113-S116 WeakPolarHBondContact CA-OG 3.22Å; E113-S116 WeakPolarHBondContact O-CB 3.45Å; E113-S116 PolarHBondContact O-N 3.45Å; E113-S116 PolarHBondContact O-OG 2.89Å; S116-A120 VanDerWaalsContact O-CB 3.23Å; S116-A120 WeakPolarHBondContact O-CB 3.45Å; S116-A120 PolarHBondContact O-N 3.41Å
117	A	98.3	Very high	98.8	Very high	32 Å²	32	26.5 Å²	26.5	26%	0.264	13%	0.127	S	C	.	.	H	α-helix	trans	-64.8	-52.6	177.5	0	0	0	0	0	111.1	P26 D115 A120 E121 Y135	P26-A117 HydrophobicContact CB-CB 4.45Å; P26-A117 HydrophobicContact CG-CB 4.29Å; D115-A117 VanDerWaalsContact C-N 3.28Å; D115-A117 PolarHBondContact O-N 2.92Å; A117-A120 PolarHBondContact O-N 3.4Å; A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 2.92Å; A117-Y135 HydrophobicContact CB-CE2 4.36Å
118	Y	98.8	Very high	98.8	Very high	38 Å²	38	22 Å²	22	15%	0.149	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-43.1	177.5	167.9	-91	0	0	0	111.9	P32 E33 H35 D115 A120 E121 L122 Y220	P32-Y118 HydrophobicContact CB-CD2 4.23Å; P32-Y118 HydrophobicContact CB-CE2 4.06Å; E33-Y118 WeakPolarHBondContact O-CE2 3.25Å; E33-Y118 PolarHBondContact O-OH 2.91Å; H35-Y118 AromaticContact CD2-CZ 3.74Å; H35-Y118 PolarHBondContact CD2-OH 3.5Å; D115-Y118 PolarHBondContact O-N 3.29Å; Y118-A120 VanDerWaalsContact C-N 3.3Å; Y118-A120 PolarHBondContact O-N 3.38Å; Y118-E121 WeakPolarHBondContact O-CB 3.31Å; Y118-E121 PolarHBondContact O-N 3.36Å; Y118-L122 HydrophobicContact CE1-CD2 3.99Å; Y118-L122 WeakPolarHBondContact O-CB 3.34Å; Y118-L122 PolarHBondContact O-N 2.89Å; Y118-Y220 HydrophobicContact CD1-CD1 4.31Å; Y118-Y220 HydrophobicContact CD1-CD2 4.14Å; Y118-Y220 HydrophobicContact CD1-CE1 4Å; Y118-Y220 AromaticContact CD1-CE2 3.81Å; Y118-Y220 HydrophobicContact CD1-CE2 3.81Å; Y118-Y220 HydrophobicContact CD1-CG 4.36Å; Y118-Y220 AromaticContact CD1-CZ 3.74Å; Y118-Y220 HydrophobicContact CE1-CD1 4.06Å; Y118-Y220 AromaticContact CE1-CD2 3.26Å; Y118-Y220 HydrophobicContact CE1-CD2 3.26Å; Y118-Y220 HydrophobicContact CE1-CE1 4.07Å; Y118-Y220 AromaticContact CE1-CE2 3.27Å; Y118-Y220 HydrophobicContact CE1-CE2 3.27Å; Y118-Y220 AromaticContact CE1-CG 3.66Å; Y118-Y220 HydrophobicContact CE1-CG 3.66Å; Y118-Y220 AromaticContact CE1-CZ 3.7Å; Y118-Y220 AromaticContact CZ-CD2 3.88Å; Y118-Y220 AromaticContact CZ-CE2 3.89Å
119	L	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-39.4	176.9	-81.5	172.4	0	0	0	112	V112 D115 E123 L139 L189 Y220 V221	V112-L119 HydrophobicContact CB-CD1 4.42Å; V112-L119 HydrophobicContact CG1-CD1 3.89Å; V112-L119 HydrophobicContact CG2-CD1 4.5Å; D115-L119 HydrophobicContact CB-CD1 4.45Å; D115-L119 WeakPolarHBondContact O-CB 3.34Å; D115-L119 PolarHBondContact O-N 3.12Å; L119-E123 WeakPolarHBondContact O-CB 3.23Å; L119-E123 PolarHBondContact O-N 2.73Å; L119-L139 HydrophobicContact CB-CD1 4.01Å; L119-L139 HydrophobicContact CB-CD2 4.45Å; L119-L139 HydrophobicContact CD1-CD1 4.07Å; L119-L189 HydrophobicContact CB-CD1 4.16Å; L119-L189 HydrophobicContact CD2-CD1 4.31Å; L119-L189 HydrophobicContact CD2-CD2 4.19Å; L119-Y220 HydrophobicContact CD2-CD1 3.56Å; L119-Y220 HydrophobicContact CD2-CE1 4.3Å; L119-Y220 HydrophobicContact CD2-CG 4.17Å; L119-Y220 HydrophobicContact CG-CD1 4.04Å; L119-Y220 HydrophobicContact CG-CE1 4.3Å; L119-V221 HydrophobicContact CD2-CG2 4.37Å
120	A	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.6	-37.6	175.6	0	0	0	0	0	112.4	S116 A117 Y118 T124 Y131 A134 Y135 L139	S116-A120 VanDerWaalsContact O-CB 3.23Å; S116-A120 WeakPolarHBondContact O-CB 3.45Å; S116-A120 PolarHBondContact O-N 3.41Å; A117-A120 PolarHBondContact O-N 3.4Å; Y118-A120 VanDerWaalsContact C-N 3.3Å; Y118-A120 PolarHBondContact O-N 3.38Å; A120-T124 WeakPolarHBondContact O-CB 3.36Å; A120-T124 PolarHBondContact O-N 3.33Å; A120-T124 PolarHBondContact O-OG1 3.29Å; A120-Y131 HydrophobicContact CB-CD2 3.91Å; A120-Y131 HydrophobicContact CB-CE2 3.55Å; A120-A134 HydrophobicContact CB-CB 3.92Å; A120-Y135 HydrophobicContact CB-CD2 4.06Å; A120-Y135 HydrophobicContact CB-CG 4.44Å; A120-L139 HydrophobicContact CB-CD2 4.09Å
121	E	98.8	Very high	98.8	Very high	23 Å²	23	18.4 Å²	18.4	11%	0.107	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-49.3	173.5	-68.6	165.7	178	0	0	111.1	P28 S29 P32 A117 Y118 T124 L125 Y131 F352	P28-E121 VanDerWaalsContact CA-OE1 3.31Å; P28-E121 WeakPolarHBondContact CA-OE1 3.38Å; P28-E121 HydrophobicContact CB-CG 3.87Å; S29-E121 VanDerWaalsContact N-CD 3.34Å; S29-E121 PolarHBondContact N-OE1 2.86Å; P32-E121 HydrophobicContact CB-CB 4Å; P32-E121 HydrophobicContact CG-CB 3.88Å; A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 2.92Å; Y118-E121 WeakPolarHBondContact O-CB 3.31Å; Y118-E121 PolarHBondContact O-N 3.36Å; E121-T124 PolarHBondContact O-N 2.99Å; E121-L125 WeakPolarHBondContact O-CB 3.38Å; E121-L125 PolarHBondContact O-N 3.12Å; E121-Y131 HydrophobicContact CG-CD2 4.24Å; E121-Y131 HydrophobicContact CG-CE2 3.75Å; E121-F352 HydrophobicContact CB-CE1 4.37Å
122	L	98.9	Very high	98.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-38.8	-179.1	-173.9	63.7	0	0	0	111.8	P32 V34 Y118 T124 L125 D126 L216 T217	P32-L122 HydrophobicContact CG-CB 4.43Å; P32-L122 HydrophobicContact CG-CD1 4.43Å; V34-L122 HydrophobicContact CG2-CD1 4.22Å; Y118-L122 HydrophobicContact CE1-CD2 3.99Å; Y118-L122 WeakPolarHBondContact O-CB 3.34Å; Y118-L122 PolarHBondContact O-N 2.89Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-L125 HydrophobicContact CD1-CD2 4.43Å; L122-L125 PolarHBondContact O-N 2.9Å; L122-D126 WeakPolarHBondContact O-CB 3.34Å; L122-D126 PolarHBondContact O-N 2.87Å; L122-L216 HydrophobicContact CD1-CB 3.99Å; L122-L216 HydrophobicContact CD1-CD1 3.96Å; L122-L216 HydrophobicContact CD2-CB 4.01Å; L122-L216 HydrophobicContact CG-CB 4.05Å; L122-T217 HydrophobicContact CB-CG2 3.82Å; L122-T217 HydrophobicContact CD2-CG2 3.89Å; L122-T217 HydrophobicContact CG-CG2 3.68Å
123	E	98.9	Very high	98.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.3	-169.4	84	164.5	0	0	110.3	L119 N127 K129 A134 P188 L189 T217	L119-E123 WeakPolarHBondContact O-CB 3.23Å; L119-E123 PolarHBondContact O-N 2.73Å; E123-N127 WeakPolarHBondContact O-CB 3.47Å; E123-N127 PolarHBondContact O-N 3.27Å; E123-K129 HydrophobicContact CG-CD 3.93Å; E123-K129 IonicContact OE1-NZ 3.76Å; E123-K129 PolarHBondContact OE1-NZ 3.34Å; E123-A134 HydrophobicContact CB-CB 4.32Å; E123-A134 HydrophobicContact CG-CB 4.41Å; E123-P188 WeakPolarHBondContact OE1-CD 3.43Å; E123-P188 WeakPolarHBondContact OE1-CG 3.49Å; E123-L189 HydrophobicContact CB-CD1 4.37Å; E123-L189 HydrophobicContact CG-CD1 4.46Å; E123-L189 PolarHBondContact OE1-N 2.94Å; E123-L189 WeakPolarHBondContact OE2-CG 3.49Å; E123-T217 HydrophobicContact CB-CG2 3.94Å; E123-T217 VanDerWaalsContact N-CG2 3.31Å; E123-T217 VanDerWaalsContact OE2-CB 3.27Å; E123-T217 WeakPolarHBondContact OE2-CB 3.37Å; E123-T217 WeakPolarHBondContact OE2-CG2 3.38Å; E123-T217 PolarHBondContact OE2-OG1 3.14Å
124	T	98.9	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-40.7	177	-75.9	0	0	0	0	112.5	A120 E121 L122 G128 K129 Y131 P351 F352	A120-T124 WeakPolarHBondContact O-CB 3.36Å; A120-T124 PolarHBondContact O-N 3.33Å; A120-T124 PolarHBondContact O-OG1 3.29Å; E121-T124 PolarHBondContact O-N 2.99Å; L122-T124 VanDerWaalsContact C-N 3.34Å; T124-G128 VanDerWaalsContact O-CA 3.26Å; T124-G128 WeakPolarHBondContact O-CA 3.34Å; T124-G128 PolarHBondContact O-N 2.89Å; T124-K129 WeakPolarHBondContact CB-O 3.33Å; T124-K129 WeakPolarHBondContact CG2-O 3.19Å; T124-K129 PolarHBondContact OG1-O 3.04Å; T124-Y131 WeakPolarHBondContact OG1-CA 3.24Å; T124-Y131 PolarHBondContact OG1-N 3.47Å; T124-P351 HydrophobicContact CG2-CB 3.71Å; T124-P351 HydrophobicContact CG2-CG 3.8Å; T124-F352 HydrophobicContact CG2-CD1 4.11Å; T124-F352 HydrophobicContact CG2-CD2 4.02Å; T124-F352 HydrophobicContact CG2-CE1 3.82Å; T124-F352 HydrophobicContact CG2-CE2 3.72Å; T124-F352 HydrophobicContact CG2-CG 4.22Å; T124-F352 HydrophobicContact CG2-CZ 3.61Å
125	L	98.9	Very high	98.7	Very high	12 Å²	12	13.5 Å²	13.5	6%	0.063	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-46.7	178.6	-175.1	74.1	0	0	0	112.2	P32 N58 I65 E121 L122 F352	P32-L125 HydrophobicContact CG-CB 4.34Å; P32-L125 HydrophobicContact CG-CD2 3.99Å; N58-L125 WeakPolarHBondContact ND2-CD1 3.46Å; I65-L125 HydrophobicContact CD1-CD2 4.21Å; I65-L125 HydrophobicContact CD1-CG 3.93Å; I65-L125 HydrophobicContact CG1-CD2 4.26Å; I65-L125 HydrophobicContact CG1-CG 4.22Å; I65-L125 HydrophobicContact CG2-CD2 3.78Å; E121-L125 WeakPolarHBondContact O-CB 3.38Å; E121-L125 PolarHBondContact O-N 3.12Å; L122-L125 HydrophobicContact CD1-CD2 4.43Å; L122-L125 PolarHBondContact O-N 2.9Å; L125-F352 HydrophobicContact CB-CZ 4.38Å
126	D	98.8	Very high	98.6	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-85.6	-32.1	-171.6	-151.6	32.5	0	0	0	111.9	T56 I65 L122 T214 P215 L216	T56-D126 WeakPolarHBondContact CG2-OD1 3.38Å; T56-D126 PolarHBondContact OG1-OD1 3.48Å; I65-D126 HydrophobicContact CD1-CB 4.3Å; I65-D126 WeakPolarHBondContact CD1-OD1 3.4Å; L122-D126 WeakPolarHBondContact O-CB 3.34Å; L122-D126 PolarHBondContact O-N 2.87Å; D126-T214 WeakPolarHBondContact OD2-CA 3.45Å; D126-P215 WeakPolarHBondContact OD2-CD 3.38Å; D126-L216 HydrophobicContact CB-CD1 4.35Å; D126-L216 WeakPolarHBondContact OD2-CB 3.3Å; D126-L216 VanDerWaalsContact OD2-CG 3.28Å; D126-L216 WeakPolarHBondContact OD2-CG 3.29Å; D126-L216 PolarHBondContact OD2-N 2.81Å
127	N	98.8	Very high	98.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-100.7	-30.9	-178.3	175	-93.3	0	0	0	114.8	P59 E123 K129 W185 T214	P59-N127 WeakPolarHBondContact CG-O 3.32Å; E123-N127 WeakPolarHBondContact O-CB 3.47Å; E123-N127 PolarHBondContact O-N 3.27Å; N127-K129 WeakPolarHBondContact OD1-CB 3.5Å; N127-K129 WeakPolarHBondContact OD1-CE 3.2Å; N127-K129 PolarHBondContact OD1-N 2.92Å; N127-W185 PolarHBondContact ND2-O 3.16Å; N127-T214 HydrophobicContact CB-CG2 3.93Å
128	G	98.6	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.			trans	88.9	-3.5	-175.1	0	0	0	0	0	116	T124 P351 G359 P360	T124-G128 VanDerWaalsContact O-CA 3.26Å; T124-G128 WeakPolarHBondContact O-CA 3.34Å; T124-G128 PolarHBondContact O-N 2.89Å; G128-P351 WeakPolarHBondContact O-CB 3.38Å; G128-G359 WeakPolarHBondContact O-CA 3.42Å; G128-P360 WeakPolarHBondContact O-CD 3.48Å
129	K	98.8	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.			trans	-63.9	147.6	173.5	68.3	-174	64	171.8	0	111.8	E123 T124 N127 Y131 A134 D138 N186	E123-K129 HydrophobicContact CG-CD 3.93Å; E123-K129 IonicContact OE1-NZ 3.76Å; E123-K129 PolarHBondContact OE1-NZ 3.34Å; T124-K129 WeakPolarHBondContact CB-O 3.33Å; T124-K129 WeakPolarHBondContact CG2-O 3.19Å; T124-K129 PolarHBondContact OG1-O 3.04Å; N127-K129 WeakPolarHBondContact OD1-CB 3.5Å; N127-K129 WeakPolarHBondContact OD1-CE 3.2Å; N127-K129 PolarHBondContact OD1-N 2.92Å; K129-Y131 PolarHBondContact O-N 2.98Å; K129-A134 HydrophobicContact CD-CB 4.06Å; K129-A134 HydrophobicContact CG-CB 4.19Å; K129-D138 IonicContact NZ-OD2 3.9Å; K129-D138 PolarHBondContact NZ-OD2 2.65Å; K129-N186 PolarHBondContact NZ-O 3.45Å; K129-N186 VanDerWaalsContact NZ-O 3.08Å
130	P	98.8	Very high	98.5	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.013	8%	0.079	C	C	.	.			trans	-55.6	136.2	176.5	-24.8	33.2	0	0	0	112.8	V132 I133 A134 P351 T356	P130-V132 VanDerWaalsContact C-N 3.26Å; P130-V132 PolarHBondContact O-N 2.97Å; P130-I133 HydrophobicContact CB-CB 4.48Å; P130-I133 HydrophobicContact CB-CG1 4.09Å; P130-I133 HydrophobicContact CG-CG1 4.35Å; P130-I133 WeakPolarHBondContact O-CA 3.5Å; P130-I133 WeakPolarHBondContact O-CB 3.42Å; P130-I133 PolarHBondContact O-N 3.06Å; P130-A134 PolarHBondContact O-N 3.18Å; P130-P351 CarbonylContact C-O 3.58Å; P130-P351 WeakPolarHBondContact CA-O 3.07Å; P130-T356 HydrophobicContact CG-CG2 4.25Å
131	Y	98.8	Very high	98.5	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-55.1	-41.3	-178.8	170.7	-104.4	0	0	0	112.7	V25 P26 P28 A120 E121 T124 K129 I133 A134 Y135 P351 F354	V25-Y131 HydrophobicContact CG1-CD1 4.18Å; V25-Y131 HydrophobicContact CG1-CE1 3.57Å; P26-Y131 VanDerWaalsContact O-CE1 3.31Å; P26-Y131 WeakPolarHBondContact O-CE1 3.48Å; P26-Y131 PolarHBondContact O-OH 3.33Å; P28-Y131 HydrophobicContact CB-CD1 3.8Å; P28-Y131 HydrophobicContact CB-CD2 3.88Å; P28-Y131 HydrophobicContact CB-CE1 3.74Å; P28-Y131 HydrophobicContact CB-CE2 3.8Å; P28-Y131 HydrophobicContact CB-CG 3.87Å; P28-Y131 HydrophobicContact CG-CD1 3.68Å; P28-Y131 HydrophobicContact CG-CE1 3.88Å; P28-Y131 HydrophobicContact CG-CG 4.03Å; A120-Y131 HydrophobicContact CB-CD2 3.91Å; A120-Y131 HydrophobicContact CB-CE2 3.55Å; E121-Y131 HydrophobicContact CG-CD2 4.24Å; E121-Y131 HydrophobicContact CG-CE2 3.75Å; T124-Y131 WeakPolarHBondContact OG1-CA 3.24Å; T124-Y131 PolarHBondContact OG1-N 3.47Å; K129-Y131 PolarHBondContact O-N 2.98Å; Y131-I133 PolarHBondContact O-N 3.41Å; Y131-A134 PolarHBondContact O-N 3.29Å; Y131-Y135 WeakPolarHBondContact O-CB 3.45Å; Y131-Y135 PolarHBondContact O-N 3.36Å; Y131-P351 PolarHBondContact N-O 3.21Å; Y131-F354 HydrophobicContact CE1-CZ 4.45Å
132	V	98.3	Very high	98.5	Very high	36 Å²	36	15.4 Å²	15.4	22%	0.218	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-36.6	177.1	178.5	0	0	0	0	111.3	P130 L136 F354	P130-V132 VanDerWaalsContact C-N 3.26Å; P130-V132 PolarHBondContact O-N 2.97Å; V132-L136 HydrophobicContact CG1-CD1 3.68Å; V132-L136 HydrophobicContact CG1-CG 4.39Å; V132-L136 VanDerWaalsContact O-CB 3.22Å; V132-L136 WeakPolarHBondContact O-CB 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.49Å; V132-L136 PolarHBondContact O-N 3.18Å; V132-F354 HydrophobicContact CG2-CB 4.46Å; V132-F354 HydrophobicContact CG2-CD1 3.76Å; V132-F354 HydrophobicContact CG2-CE1 4.25Å; V132-F354 HydrophobicContact CG2-CG 4.17Å
133	I	98.3	Very high	98.5	Very high	54 Å²	54	15.6 Å²	15.6	28%	0.277	9%	0.087	S	C	.	.	H	α-helix	trans	-74.6	-45.1	177.3	-59.6	-59.8	0	0	0	110.7	P130 Y131 Y135 A137 D138 F313	P130-I133 HydrophobicContact CB-CB 4.48Å; P130-I133 HydrophobicContact CB-CG1 4.09Å; P130-I133 HydrophobicContact CG-CG1 4.35Å; P130-I133 WeakPolarHBondContact O-CA 3.5Å; P130-I133 WeakPolarHBondContact O-CB 3.42Å; P130-I133 PolarHBondContact O-N 3.06Å; Y131-I133 PolarHBondContact O-N 3.41Å; I133-Y135 VanDerWaalsContact C-N 3.29Å; I133-Y135 PolarHBondContact O-N 3.25Å; I133-A137 HydrophobicContact CG2-CB 4.16Å; I133-A137 WeakPolarHBondContact O-CA 3.27Å; I133-A137 VanDerWaalsContact O-CB 3.25Å; I133-A137 WeakPolarHBondContact O-CB 3.5Å; I133-A137 PolarHBondContact O-N 2.62Å; I133-D138 PolarHBondContact O-N 3.19Å; I133-F313 HydrophobicContact CG2-CE2 3.77Å; I133-F313 HydrophobicContact CG2-CZ 4.32Å
134	A	98.6	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-54.9	-47.9	175.4	0	0	0	0	0	111	A120 E123 K129 P130 Y131 D138 L139	A120-A134 HydrophobicContact CB-CB 3.92Å; E123-A134 HydrophobicContact CB-CB 4.32Å; E123-A134 HydrophobicContact CG-CB 4.41Å; K129-A134 HydrophobicContact CD-CB 4.06Å; K129-A134 HydrophobicContact CG-CB 4.19Å; P130-A134 PolarHBondContact O-N 3.18Å; Y131-A134 PolarHBondContact O-N 3.29Å; A134-D138 WeakPolarHBondContact O-CB 3.15Å; A134-D138 PolarHBondContact O-N 2.81Å; A134-L139 VanDerWaalsContact O-CD2 3.26Å; A134-L139 WeakPolarHBondContact O-CD2 3.18Å; A134-L139 PolarHBondContact O-N 3.1Å
135	Y	98.6	Very high	98.5	Very high	44 Å²	44	21.4 Å²	21.4	17%	0.173	11%	0.112	C	C	.	.	I	π-helix	trans	-74.4	-42.3	-177.1	-172	-98.1	0	0	0	114	V25 P26 A117 A120 Y131 I133 P140	V25-Y135 HydrophobicContact CB-CD1 4.44Å; V25-Y135 HydrophobicContact CG1-CD1 4.07Å; V25-Y135 HydrophobicContact CG2-CD1 4.22Å; P26-Y135 VanDerWaalsContact CD-CE1 3.48Å; P26-Y135 HydrophobicContact CG-CE1 4.43Å; P26-Y135 HydrophobicContact CG-CE2 4.11Å; A117-Y135 HydrophobicContact CB-CE2 4.36Å; A120-Y135 HydrophobicContact CB-CD2 4.06Å; A120-Y135 HydrophobicContact CB-CG 4.44Å; Y131-Y135 WeakPolarHBondContact O-CB 3.45Å; Y131-Y135 PolarHBondContact O-N 3.36Å; I133-Y135 VanDerWaalsContact C-N 3.29Å; I133-Y135 PolarHBondContact O-N 3.25Å; Y135-P140 WeakPolarHBondContact O-CD 3.4Å
136	L	97.5	Very high	98.5	Very high	46 Å²	46	21 Å²	21	24%	0.241	11%	0.11	C	C	.	.	I	π-helix	trans	-93.3	-15.4	-174.6	-62.7	177.8	0	0	0	114.8	Y20 V25 V132 P140	Y20-L136 HydrophobicContact CD1-CD2 4.47Å; Y20-L136 HydrophobicContact CE1-CD1 4.36Å; Y20-L136 HydrophobicContact CE1-CD2 3.57Å; Y20-L136 HydrophobicContact CE1-CG 4.37Å; V25-L136 HydrophobicContact CG2-CD1 3.61Å; V25-L136 HydrophobicContact CG2-CD2 3.68Å; V25-L136 HydrophobicContact CG2-CG 3.73Å; V132-L136 HydrophobicContact CG1-CD1 3.68Å; V132-L136 HydrophobicContact CG1-CG 4.39Å; V132-L136 VanDerWaalsContact O-CB 3.22Å; V132-L136 WeakPolarHBondContact O-CB 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.49Å; V132-L136 PolarHBondContact O-N 3.18Å; L136-P140 WeakPolarHBondContact O-CG 3.36Å
137	A	96.8	Very high	98.5	Very high	28 Å²	28	24.4 Å²	24.4	23%	0.231	12%	0.123	C	C	.	.	I	π-helix	trans	-117	-62.8	179.8	0	0	0	0	0	111.9	I133 P140 L141	I133-A137 HydrophobicContact CG2-CB 4.16Å; I133-A137 WeakPolarHBondContact O-CA 3.27Å; I133-A137 VanDerWaalsContact O-CB 3.25Å; I133-A137 WeakPolarHBondContact O-CB 3.5Å; I133-A137 PolarHBondContact O-N 2.62Å; A137-P140 WeakPolarHBondContact O-CD 3.22Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.36Å; A137-L141 PolarHBondContact O-N 3.22Å
138	D	98.6	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-63.2	-53.4	-171.8	-71.6	38.7	0	0	0	112.2	K129 I133 A134 L141 V142 F187 V190	K129-D138 IonicContact NZ-OD2 3.9Å; K129-D138 PolarHBondContact NZ-OD2 2.65Å; I133-D138 PolarHBondContact O-N 3.19Å; A134-D138 WeakPolarHBondContact O-CB 3.15Å; A134-D138 PolarHBondContact O-N 2.81Å; D138-L141 WeakPolarHBondContact O-CB 3.44Å; D138-L141 PolarHBondContact O-N 3.17Å; D138-L141 VanDerWaalsContact O-N 3.09Å; D138-V142 VanDerWaalsContact O-CG2 3.27Å; D138-V142 WeakPolarHBondContact O-CG2 3.48Å; D138-V142 PolarHBondContact O-N 3.47Å; D138-F187 WeakPolarHBondContact OD2-CD1 3.26Å; D138-V190 HydrophobicContact CB-CG2 3.88Å
139	L	98.6	Very high	98.6	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-45.5	-179.5	-89.4	-61	0	0	0	112.4	V112 L119 A120 A134 L141 V142 V143 L189	V112-L139 HydrophobicContact CG1-CD1 3.77Å; L119-L139 HydrophobicContact CB-CD1 4.01Å; L119-L139 HydrophobicContact CB-CD2 4.45Å; L119-L139 HydrophobicContact CD1-CD1 4.07Å; A120-L139 HydrophobicContact CB-CD2 4.09Å; A134-L139 VanDerWaalsContact O-CD2 3.26Å; A134-L139 WeakPolarHBondContact O-CD2 3.18Å; A134-L139 PolarHBondContact O-N 3.1Å; L139-L141 VanDerWaalsContact C-N 3.31Å; L139-L141 PolarHBondContact O-N 3.29Å; L139-V142 WeakPolarHBondContact O-CB 3.44Å; L139-V142 PolarHBondContact O-N 3.14Å; L139-V143 WeakPolarHBondContact O-CG2 3.25Å; L139-V143 PolarHBondContact O-N 2.97Å; L139-L189 HydrophobicContact CD1-CD1 4.24Å; L139-L189 HydrophobicContact CD2-CD1 3.85Å
140	P	98.5	Very high	98.6	Very high	45 Å²	45	26.4 Å²	26.4	29%	0.292	13%	0.132	S	C	.	.	H	α-helix	trans	-59.5	-36.7	172.4	-31.6	38.8	0	0	0	114	Y135 L136 A137 K144	Y135-P140 WeakPolarHBondContact O-CD 3.4Å; L136-P140 WeakPolarHBondContact O-CG 3.36Å; A137-P140 WeakPolarHBondContact O-CD 3.22Å; P140-K144 VanDerWaalsContact O-CB 3.23Å; P140-K144 WeakPolarHBondContact O-CB 3.39Å; P140-K144 WeakPolarHBondContact O-CD 3.42Å; P140-K144 WeakPolarHBondContact O-CG 3.13Å; P140-K144 PolarHBondContact O-N 2.97Å
141	L	98.6	Very high	98.6	Very high	44 Å²	44	27.2 Å²	27.2	23%	0.23	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-39.8	174.8	-74	171.2	0	0	0	111.7	A137 D138 L139 C145 V190 F476	A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.36Å; A137-L141 PolarHBondContact O-N 3.22Å; D138-L141 WeakPolarHBondContact O-CB 3.44Å; D138-L141 PolarHBondContact O-N 3.17Å; D138-L141 VanDerWaalsContact O-N 3.09Å; L139-L141 VanDerWaalsContact C-N 3.31Å; L139-L141 PolarHBondContact O-N 3.29Å; L141-C145 WeakPolarHBondContact O-CB 3.35Å; L141-C145 PolarHBondContact O-N 3.34Å; L141-V190 HydrophobicContact CB-CG1 4.42Å; L141-V190 HydrophobicContact CB-CG2 4.38Å; L141-F476 HydrophobicContact CD2-CB 4.4Å
142	V	98.9	Very high	98.6	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.024	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-55.8	175	169.7	0	0	0	0	110.7	V112 D138 L139 K144 C145 L146 L189 V190 A193	V112-V142 HydrophobicContact CG1-CG1 3.83Å; D138-V142 VanDerWaalsContact O-CG2 3.27Å; D138-V142 WeakPolarHBondContact O-CG2 3.48Å; D138-V142 PolarHBondContact O-N 3.47Å; L139-V142 WeakPolarHBondContact O-CB 3.44Å; L139-V142 PolarHBondContact O-N 3.14Å; V142-K144 VanDerWaalsContact C-N 3.34Å; V142-K144 PolarHBondContact O-N 2.93Å; V142-C145 PolarHBondContact O-N 3.47Å; V142-C145 VanDerWaalsContact O-N 3.14Å; V142-L146 HydrophobicContact CG1-CD1 4.08Å; V142-L146 WeakPolarHBondContact O-CG 3.26Å; V142-L146 PolarHBondContact O-N 2.79Å; V142-L189 HydrophobicContact CG2-CB 3.73Å; V142-V190 HydrophobicContact CG2-CB 4.45Å; V142-V190 HydrophobicContact CG2-CG2 4.06Å; V142-A193 HydrophobicContact CB-CB 4.28Å; V142-A193 HydrophobicContact CG1-CB 3.97Å; V142-A193 HydrophobicContact CG2-CB 4.28Å
143	V	98.9	Very high	98.6	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-44.3	-177.5	171.8	0	0	0	0	110.7	A109 V112 E113 L139 C145 R147	A109-V143 HydrophobicContact CB-CG1 4.43Å; V112-V143 HydrophobicContact CG1-CG2 4Å; E113-V143 HydrophobicContact CB-CG1 4.46Å; E113-V143 HydrophobicContact CB-CG2 4.03Å; L139-V143 WeakPolarHBondContact O-CG2 3.25Å; L139-V143 PolarHBondContact O-N 2.97Å; V143-C145 PolarHBondContact O-N 2.8Å; V143-R147 HydrophobicContact CG1-CG 4.47Å; V143-R147 VanDerWaalsContact CG1-CZ 3.47Å; V143-R147 WeakPolarHBondContact O-CB 3.15Å; V143-R147 VanDerWaalsContact O-CG 3.28Å; V143-R147 WeakPolarHBondContact O-CG 3.33Å; V143-R147 PolarHBondContact O-N 2.89Å
144	K	98.9	Very high	98.6	Very high	124 Å²	124	29.1 Å²	29.1	54%	0.539	15%	0.147	S	C	.	.	H	α-helix	trans	-62.8	-40.6	175.8	-74.8	172	-178	173.6	0	112.3	P140 V142 Y148	P140-K144 VanDerWaalsContact O-CB 3.23Å; P140-K144 WeakPolarHBondContact O-CB 3.39Å; P140-K144 WeakPolarHBondContact O-CD 3.42Å; P140-K144 WeakPolarHBondContact O-CG 3.13Å; P140-K144 PolarHBondContact O-N 2.97Å; V142-K144 VanDerWaalsContact C-N 3.34Å; V142-K144 PolarHBondContact O-N 2.93Å; K144-Y148 WeakPolarHBondContact O-CB 3.08Å; K144-Y148 PolarHBondContact O-N 3.05Å
145	C	98.9	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-47.6	178.9	-176	0	0	0	0	111.9	L141 V142 V143 Y148 Y149 A193 S478	L141-C145 WeakPolarHBondContact O-CB 3.35Å; L141-C145 PolarHBondContact O-N 3.34Å; V142-C145 PolarHBondContact O-N 3.47Å; V142-C145 VanDerWaalsContact O-N 3.14Å; V143-C145 PolarHBondContact O-N 2.8Å; C145-Y148 PolarHBondContact O-N 3.17Å; C145-Y149 PolarHBondContact O-N 3.21Å; C145-A193 HydrophobicContact CB-CB 4.3Å; C145-S478 VanDerWaalsContact CA-OG 3.29Å; C145-S478 WeakPolarHBondContact CA-OG 3.39Å; C145-S478 PolarHBondContact N-OG 2.92Å
146	L	98.9	Very high	98.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-47.2	177.3	-67.2	175.1	0	0	0	111.4	L105 L108 A109 V112 V142 Y148 Y149 A150 A193	L105-L146 HydrophobicContact CD2-CD2 4.23Å; L108-L146 HydrophobicContact CD2-CD1 4.29Å; L108-L146 HydrophobicContact CD2-CD2 4.3Å; L108-L146 HydrophobicContact CG-CD1 4.13Å; A109-L146 HydrophobicContact CB-CB 3.81Å; A109-L146 HydrophobicContact CB-CD1 4.31Å; V112-L146 HydrophobicContact CG2-CD1 4.4Å; V142-L146 HydrophobicContact CG1-CD1 4.08Å; V142-L146 WeakPolarHBondContact O-CG 3.26Å; V142-L146 PolarHBondContact O-N 2.79Å; L146-Y148 VanDerWaalsContact C-N 3.35Å; L146-Y148 PolarHBondContact O-N 2.89Å; L146-Y149 PolarHBondContact O-N 3.28Å; L146-A150 WeakPolarHBondContact O-CB 3.49Å; L146-A150 PolarHBondContact O-N 3.17Å; L146-A193 HydrophobicContact CD2-CB 4.36Å; L146-A193 HydrophobicContact CG-CB 4.31Å
147	R	98.9	Very high	98.7	Very high	72 Å²	72	40.1 Å²	40.1	27%	0.272	19%	0.194	S	C	.	.	H	α-helix	trans	-63.2	-39.4	177.1	-72.1	179.1	171	150.9	-1.9	112.3	Y106 A109 D110 E113 V143 A150 G151	Y106-R147 HydrophobicContact CD1-CB 4.3Å; Y106-R147 HydrophobicContact CD1-CG 3.93Å; Y106-R147 HydrophobicContact CE1-CB 3.93Å; Y106-R147 HydrophobicContact CE1-CG 4.01Å; A109-R147 HydrophobicContact CB-CG 3.63Å; D110-R147 IonicContact OD1-CZ 3.55Å; D110-R147 IonicContact OD1-NE 2.89Å; D110-R147 IonicContact OD1-NH2 3.24Å; D110-R147 PolarHBondContact OD1-NH2 3.06Å; E113-R147 IonicContact OE1-CZ 3.87Å; E113-R147 IonicContact OE1-NH1 3.31Å; E113-R147 PolarHBondContact OE1-NH1 3.01Å; E113-R147 IonicContact OE1-NH2 3.97Å; E113-R147 IonicContact OE2-CZ 2.76Å; E113-R147 IonicContact OE2-NH1 3.77Å; E113-R147 PolarHBondContact OE2-NH1 3.24Å; E113-R147 IonicContact OE2-NH2 2.69Å; E113-R147 PolarHBondContact OE2-NH2 3.01Å; V143-R147 HydrophobicContact CG1-CG 4.47Å; V143-R147 VanDerWaalsContact CG1-CZ 3.47Å; V143-R147 WeakPolarHBondContact O-CB 3.15Å; V143-R147 VanDerWaalsContact O-CG 3.28Å; V143-R147 WeakPolarHBondContact O-CG 3.33Å; V143-R147 PolarHBondContact O-N 2.89Å; R147-A150 WeakPolarHBondContact O-CB 3.4Å; R147-A150 PolarHBondContact O-N 3.19Å; R147-G151 PolarHBondContact O-N 3.04Å
148	Y	98.9	Very high	98.8	Very high	41 Å²	41	40.3 Å²	40.3	16%	0.161	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-51.3	176.2	174.2	-99.8	0	0	0	111.2	K144 C145 L146 G151 W152 S478 Q479 G495 E496	K144-Y148 WeakPolarHBondContact O-CB 3.08Å; K144-Y148 PolarHBondContact O-N 3.05Å; C145-Y148 PolarHBondContact O-N 3.17Å; L146-Y148 VanDerWaalsContact C-N 3.35Å; L146-Y148 PolarHBondContact O-N 2.89Å; Y148-G151 PolarHBondContact O-N 3.22Å; Y148-W152 AromaticContact CE1-CD1 3.57Å; Y148-W152 AromaticContact CE1-NE1 3.4Å; Y148-W152 AromaticContact CE2-NE1 3.5Å; Y148-W152 AromaticContact CZ-CD1 3.66Å; Y148-W152 AromaticContact CZ-NE1 3Å; Y148-W152 PolarHBondContact OH-NE1 3.48Å; Y148-S478 WeakPolarHBondContact CD1-O 3.41Å; Y148-S478 WeakPolarHBondContact CE1-O 3.31Å; Y148-Q479 HydrophobicContact CD2-CG 3.96Å; Y148-Q479 HydrophobicContact CE2-CB 4.08Å; Y148-Q479 HydrophobicContact CE2-CG 3.7Å; Y148-G495 VanDerWaalsContact OH-CA 3.27Å; Y148-G495 WeakPolarHBondContact OH-CA 3.29Å; Y148-E496 PolarHBondContact OH-N 2.62Å
149	Y	98.9	Very high	98.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-73.6	-26.4	-179.8	-80.1	-60.7	0	0	0	113.9	C145 L146 G151 W152 A153 G197 P198 A201 L494 G495 L499	C145-Y149 PolarHBondContact O-N 3.21Å; L146-Y149 PolarHBondContact O-N 3.28Å; Y149-G151 PolarHBondContact O-N 2.97Å; Y149-W152 HydrophobicContact CD1-CB 4.45Å; Y149-W152 PolarHBondContact O-N 3.49Å; Y149-A153 PolarHBondContact O-N 3.41Å; Y149-G197 VanDerWaalsContact CB-C 3.48Å; Y149-P198 HydrophobicContact CD1-CB 4.01Å; Y149-P198 HydrophobicContact CD2-CB 4.46Å; Y149-P198 HydrophobicContact CD2-CG 4.47Å; Y149-P198 HydrophobicContact CE1-CB 3.67Å; Y149-P198 HydrophobicContact CE1-CG 4.46Å; Y149-P198 HydrophobicContact CE2-CB 4.12Å; Y149-P198 HydrophobicContact CE2-CG 4.02Å; Y149-P198 HydrophobicContact CG-CB 4.39Å; Y149-A201 VanDerWaalsContact O-CB 3.26Å; Y149-A201 WeakPolarHBondContact O-CB 3.2Å; Y149-L494 HydrophobicContact CE2-CD2 4.39Å; Y149-L494 WeakPolarHBondContact OH-CA 3.23Å; Y149-L494 PolarHBondContact OH-N 3.13Å; Y149-L494 PolarHBondContact OH-O 3.32Å; Y149-G495 WeakPolarHBondContact CE1-O 3.37Å; Y149-G495 PolarHBondContact OH-O 3.48Å; Y149-G495 VanDerWaalsContact OH-O 3.06Å; Y149-L499 HydrophobicContact CD1-CD2 3.74Å; Y149-L499 HydrophobicContact CE1-CD2 3.64Å; Y149-L499 HydrophobicContact CE1-CG 4.13Å
150	A	98.9	Very high	98.8	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-40	168.3	0	0	0	0	0	111.5	G102 L105 Y106 L146 R147 W152	G102-A150 VanDerWaalsContact CA-O 3.32Å; G102-A150 WeakPolarHBondContact CA-O 3.44Å; G102-A150 WeakPolarHBondContact O-CB 3.32Å; L105-A150 HydrophobicContact CB-CB 3.59Å; Y106-A150 HydrophobicContact CD1-CB 3.98Å; Y106-A150 HydrophobicContact CD2-CB 3.51Å; Y106-A150 HydrophobicContact CE1-CB 3.99Å; Y106-A150 HydrophobicContact CE2-CB 3.53Å; Y106-A150 HydrophobicContact CG-CB 3.72Å; L146-A150 WeakPolarHBondContact O-CB 3.49Å; L146-A150 PolarHBondContact O-N 3.17Å; R147-A150 WeakPolarHBondContact O-CB 3.4Å; R147-A150 PolarHBondContact O-N 3.19Å; A150-W152 VanDerWaalsContact C-N 3.29Å; A150-W152 PolarHBondContact O-N 3.43Å
151	G	98.8	Very high	98.8	Very high	18 Å²	18	53 Å²	53	19%	0.186	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-23.1	176.1	0	0	0	0	0	114.9	R147 Y148 Y149 K155	R147-G151 PolarHBondContact O-N 3.04Å; Y148-G151 PolarHBondContact O-N 3.22Å; Y149-G151 PolarHBondContact O-N 2.97Å; G151-K155 VanDerWaalsContact O-CD 3.3Å; G151-K155 WeakPolarHBondContact O-CD 3.47Å; G151-K155 WeakPolarHBondContact O-CE 3.42Å; G151-K155 PolarHBondContact O-NZ 3.31Å
152	W	98.9	Very high	98.8	Very high	49 Å²	49	56.4 Å²	56.4	19%	0.186	29%	0.286	C	S	.	.	H	α-helix	trans	-87.6	-15.1	-178.8	-82.5	107.8	0	0	0	114.7	Y148 Y149 A150 D154 K155 W156 E496 L499	Y148-W152 AromaticContact CE1-CD1 3.57Å; Y148-W152 AromaticContact CE1-NE1 3.4Å; Y148-W152 AromaticContact CE2-NE1 3.5Å; Y148-W152 AromaticContact CZ-CD1 3.66Å; Y148-W152 AromaticContact CZ-NE1 3Å; Y148-W152 PolarHBondContact OH-NE1 3.48Å; Y149-W152 HydrophobicContact CD1-CB 4.45Å; Y149-W152 PolarHBondContact O-N 3.49Å; A150-W152 VanDerWaalsContact C-N 3.29Å; A150-W152 PolarHBondContact O-N 3.43Å; W152-D154 PolarHBondContact O-N 3.34Å; W152-K155 HydrophobicContact CE3-CB 3.96Å; W152-K155 HydrophobicContact CZ3-CB 4.28Å; W152-K155 PolarHBondContact O-N 2.72Å; W152-W156 HydrophobicContact CZ3-CE3 4.32Å; W152-E496 HydrophobicContact CH2-CB 3.9Å; W152-E496 HydrophobicContact CH2-CG 3.63Å; W152-E496 WeakPolarHBondContact CH2-OE2 3.43Å; W152-E496 HydrophobicContact CZ2-CB 3.78Å; W152-E496 HydrophobicContact CZ2-CG 4.04Å; W152-E496 HydrophobicContact CZ3-CG 4.11Å; W152-L499 HydrophobicContact CB-CD1 3.97Å; W152-L499 HydrophobicContact CB-CD2 4.22Å; W152-L499 HydrophobicContact CD2-CD1 3.65Å; W152-L499 HydrophobicContact CE3-CD1 3.62Å; W152-L499 HydrophobicContact CG-CD1 3.82Å; W152-L499 HydrophobicContact CZ3-CD1 4.32Å
153	A	98.9	Very high	98.7	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.1	-168.2	0	0	0	0	0	114.1	A98 R101 Y149 A201	A98-A153 WeakPolarHBondContact CB-O 3.38Å; A98-A153 VanDerWaalsContact O-CB 3.23Å; A98-A153 WeakPolarHBondContact O-CB 3.23Å; R101-A153 HydrophobicContact CB-CB 4.3Å; R101-A153 PolarHBondContact NH2-O 2.98Å; Y149-A153 PolarHBondContact O-N 3.41Å; A153-A201 WeakPolarHBondContact CA-O 3.38Å; A153-A201 HydrophobicContact CB-CB 4.19Å
154	D	98.8	Very high	98.7	Very high	76 Å²	76	65.1 Å²	65.1	41%	0.406	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	15.1	179.8	64.2	-14.5	0	0	0	114.3	A98 W152	A98-D154 HydrophobicContact CB-CB 3.78Å; W152-D154 PolarHBondContact O-N 3.34Å
155	K	98.8	Very high	98.7	Very high	110 Å²	110	61.3 Å²	61.3	48%	0.478	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	4.6	-174.8	-62.8	177.4	-168.6	62.7	0	114.4	G151 W152 E157	G151-K155 VanDerWaalsContact O-CD 3.3Å; G151-K155 WeakPolarHBondContact O-CD 3.47Å; G151-K155 WeakPolarHBondContact O-CE 3.42Å; G151-K155 PolarHBondContact O-NZ 3.31Å; W152-K155 HydrophobicContact CE3-CB 3.96Å; W152-K155 HydrophobicContact CZ3-CB 4.28Å; W152-K155 PolarHBondContact O-N 2.72Å; K155-E157 PolarHBondContact O-N 3.02Å
156	W	98.3	Very high	98.7	Very high	63 Å²	63	64 Å²	64	24%	0.239	34%	0.344	C	S	.	.			trans	-92.1	75.3	176.1	-165.9	-121.8	0	0	0	111.7	W152 H173 E496 L499 T503	W152-W156 HydrophobicContact CZ3-CE3 4.32Å; W156-H173 AromaticContact CD1-ND1 3.48Å; W156-H173 AromaticContact CE2-ND1 3.82Å; W156-H173 AromaticContact NE1-ND1 3.35Å; W156-H173 PolarHBondContact NE1-ND1 3.37Å; W156-E496 HydrophobicContact CE3-CG 4.02Å; W156-E496 HydrophobicContact CH2-CG 3.9Å; W156-E496 HydrophobicContact CZ3-CG 3.24Å; W156-E496 VanDerWaalsContact CZ3-OE1 3.28Å; W156-E496 WeakPolarHBondContact CZ3-OE1 3.48Å; W156-L499 HydrophobicContact CB-CD1 4.19Å; W156-L499 HydrophobicContact CD2-CB 3.93Å; W156-L499 HydrophobicContact CD2-CD1 3.8Å; W156-L499 HydrophobicContact CE3-CB 4.39Å; W156-L499 HydrophobicContact CE3-CD1 3.66Å; W156-L499 HydrophobicContact CG-CB 4.2Å; W156-L499 HydrophobicContact CG-CD1 4.06Å; W156-L499 HydrophobicContact CZ2-CB 4.29Å; W156-L499 HydrophobicContact CZ3-CD1 4.36Å; W156-T503 VanDerWaalsContact CD1-OG1 3.31Å; W156-T503 PolarHBondContact NE1-OG1 2.87Å
157	E	98.6	Very high	98.7	Very high	147 Å²	147	68.5 Å²	68.5	69%	0.687	36%	0.361	S	S	*	.			trans	-79.2	152.5	-169	-61.6	175.7	-175	0	0	113.9	K155 H173	K155-E157 PolarHBondContact O-N 3.02Å; E157-H173 PolarHBondContact O-CE1 3.29Å; E157-H173 PolarHBondContact O-ND1 2.77Å
158	G	98.4	Very high	98.6	Very high	32 Å²	32	69.6 Å²	69.6	33%	0.33	37%	0.368	S	S	.	.			trans	-76.5	-162.5	166.2	0	0	0	0	0	112.6	T171	G158-T171 WeakPolarHBondContact CA-OG1 3.26Å
159	K	98.8	Very high	98.6	Very high	140 Å²	140	67.8 Å²	67.8	61%	0.609	36%	0.361	S	S	*	.			trans	-133.7	147.2	-178.2	-58.2	-175.7	-172.7	-62.9	0	110.9	I161 Y170 T171	K159-I161 HydrophobicContact CB-CG1 4.2Å; K159-Y170 CarbonylContact O-C 3.54Å; K159-Y170 WeakPolarHBondContact O-CA 3.42Å; K159-Y170 WeakPolarHBondContact O-CB 3.3Å; K159-T171 PolarHBondContact N-OG1 2.89Å; K159-T171 PolarHBondContact O-N 3.33Å
160	T	98.8	Very high	98.6	Very high	110 Å²	110	70.9 Å²	70.9	68%	0.675	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	159.8	53.2	0	0	0	0	108.7	F168	T160-F168 HydrophobicContact CG2-CE2 4.18Å
161	I	98.8	Very high	98.6	Very high	64 Å²	64	71.6 Å²	71.6	33%	0.328	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.5	-168.5	-54.6	175.8	0	0	0	110	K159 V163 T169 T171	K159-I161 HydrophobicContact CB-CG1 4.2Å; I161-V163 HydrophobicContact CB-CG1 4.26Å; I161-V163 HydrophobicContact CG2-CG1 3.72Å; I161-V163 PolarHBondContact O-N 3.38Å; I161-T169 HydrophobicContact CB-CG2 4.2Å; I161-T169 HydrophobicContact CD1-CG2 4.38Å; I161-T169 PolarHBondContact N-O 3.01Å; I161-T171 HydrophobicContact CD1-CG2 3.85Å
162	P	98.1	Very high	98.6	Very high	116 Å²	116	76.7 Å²	76.7	75%	0.753	39%	0.391	S	S	*	.			trans	-79	68.5	178.8	34	-35.9	0	0	0	111.1
163	V	98.4	Very high	98.6	Very high	42 Å²	42	76.8 Å²	76.8	26%	0.255	39%	0.393	S	S	.	.			trans	-67.8	157.7	178.6	-61.2	0	0	0	0	112	I161 T169 K515	I161-V163 HydrophobicContact CB-CG1 4.26Å; I161-V163 HydrophobicContact CG2-CG1 3.72Å; I161-V163 PolarHBondContact O-N 3.38Å; V163-T169 HydrophobicContact CG1-CG2 4.02Å; V163-T169 VanDerWaalsContact CG2-OG1 3.23Å; V163-T169 WeakPolarHBondContact CG2-OG1 3.4Å; V163-K515 PolarHBondContact O-NZ 3.48Å
164	D	98.5	Very high	98.6	Very high	150 Å²	150	78.1 Å²	78.1	80%	0.802	40%	0.398	S	S	*	.	S	Bend	trans	-64.7	152.6	175.1	-65.7	-27.8	0	0	0	112.7
165	G	98.1	Very high	98.6	Very high	43 Å²	43	75.6 Å²	75.6	44%	0.443	39%	0.386	S	S	.	.	S	Bend	trans	75.3	-176.2	-178.2	0	0	0	0	0	115.1	Y167 K515	G165-Y167 VanDerWaalsContact C-N 3.3Å; G165-Y167 PolarHBondContact O-N 3.46Å; G165-K515 WeakPolarHBondContact O-CD 3.46Å; G165-K515 WeakPolarHBondContact O-CE 3.36Å; G165-K515 PolarHBondContact O-NZ 2.78Å
166	D	98.6	Very high	98.6	Very high	58 Å²	58	71.2 Å²	71.2	31%	0.31	37%	0.368	S	S	.	.	S	Bend	trans	-84.1	68.9	-178.2	-57.1	-58.5	0	0	0	112.1	V512 Q514 K515	D166-V512 VanDerWaalsContact C-CG2 3.44Å; D166-V512 HydrophobicContact CB-CG2 4.23Å; D166-V512 WeakPolarHBondContact CB-O 3.45Å; D166-V512 WeakPolarHBondContact O-CG2 3.45Å; D166-V512 PolarHBondContact O-N 3.48Å; D166-Q514 WeakPolarHBondContact OD1-CA 3.21Å; D166-K515 PolarHBondContact OD1-N 2.86Å
167	Y	98.7	Very high	98.7	Very high	97 Å²	97	68.2 Å²	68.2	38%	0.38	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.3	177.5	-57.6	-83.3	0	0	0	111.9	G165 T509 I510 K511	G165-Y167 VanDerWaalsContact C-N 3.3Å; G165-Y167 PolarHBondContact O-N 3.46Å; Y167-T509 HydrophobicContact CD1-CG2 3.83Å; Y167-T509 HydrophobicContact CG-CG2 3.98Å; Y167-I510 CarbonylContact C-O 3.52Å; Y167-I510 VanDerWaalsContact CA-O 3.28Å; Y167-I510 WeakPolarHBondContact CA-O 3.27Å; Y167-K511 HydrophobicContact CD1-CB 4.18Å; Y167-K511 HydrophobicContact CD1-CD 4.13Å; Y167-K511 HydrophobicContact CE1-CB 4.05Å; Y167-K511 HydrophobicContact CE1-CD 3.62Å; Y167-K511 HydrophobicContact CE1-CG 4.44Å
168	F	98.7	Very high	98.7	Very high	96 Å²	96	61.2 Å²	61.2	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.9	164.2	172.2	-137.7	0	0	0	108.7	T160 Y170 I510 V512	T160-F168 HydrophobicContact CG2-CE2 4.18Å; F168-Y170 HydrophobicContact CD1-CD1 4.41Å; F168-Y170 AromaticContact CE1-CD1 3.83Å; F168-Y170 HydrophobicContact CE1-CD1 3.83Å; F168-Y170 HydrophobicContact CE1-CE1 4.24Å; F168-Y170 HydrophobicContact CE2-CD1 4.47Å; F168-Y170 AromaticContact CZ-CD1 3.86Å; F168-Y170 HydrophobicContact CZ-CD1 3.86Å; F168-Y170 HydrophobicContact CZ-CG 4.41Å; F168-I510 HydrophobicContact CD1-CD1 4.24Å; F168-I510 PolarHBondContact N-O 3Å; F168-I510 PolarHBondContact O-N 3.42Å; F168-V512 HydrophobicContact CB-CG1 3.8Å
169	T	98.8	Very high	98.7	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.1	179.9	-62.9	0	0	0	0	110.9	I161 V163 T507 V508 T509	I161-T169 HydrophobicContact CB-CG2 4.2Å; I161-T169 HydrophobicContact CD1-CG2 4.38Å; I161-T169 PolarHBondContact N-O 3.01Å; V163-T169 HydrophobicContact CG1-CG2 4.02Å; V163-T169 VanDerWaalsContact CG2-OG1 3.23Å; V163-T169 WeakPolarHBondContact CG2-OG1 3.4Å; T169-T507 HydrophobicContact CG2-CG2 3.6Å; T169-V508 VanDerWaalsContact CA-O 3.31Å; T169-V508 WeakPolarHBondContact CA-O 3.49Å; T169-T509 WeakPolarHBondContact CG2-OG1 3.3Å; T169-T509 WeakPolarHBondContact OG1-CG2 3.16Å; T169-T509 PolarHBondContact OG1-OG1 3Å
170	Y	98.9	Very high	98.7	Very high	66 Å²	66	53 Å²	53	26%	0.259	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.4	171.2	68.1	-85	0	0	0	111.4	K159 F168 R172 V508 I510	K159-Y170 CarbonylContact O-C 3.54Å; K159-Y170 WeakPolarHBondContact O-CA 3.42Å; K159-Y170 WeakPolarHBondContact O-CB 3.3Å; F168-Y170 HydrophobicContact CD1-CD1 4.41Å; F168-Y170 AromaticContact CE1-CD1 3.83Å; F168-Y170 HydrophobicContact CE1-CD1 3.83Å; F168-Y170 HydrophobicContact CE1-CE1 4.24Å; F168-Y170 HydrophobicContact CE2-CD1 4.47Å; F168-Y170 AromaticContact CZ-CD1 3.86Å; F168-Y170 HydrophobicContact CZ-CD1 3.86Å; F168-Y170 HydrophobicContact CZ-CG 4.41Å; Y170-R172 HydrophobicContact CD2-CG 4.27Å; Y170-R172 HydrophobicContact CE2-CG 3.75Å; Y170-V508 HydrophobicContact CD1-CB 4.22Å; Y170-V508 HydrophobicContact CE1-CB 3.71Å; Y170-V508 HydrophobicContact CE1-CG1 3.72Å; Y170-V508 HydrophobicContact CE2-CB 4.08Å; Y170-V508 HydrophobicContact CE2-CG2 4.11Å; Y170-V508 PolarHBondContact N-O 2.74Å; Y170-V508 PolarHBondContact O-N 2.84Å; Y170-I510 HydrophobicContact CE1-CD1 4.07Å
171	T	98.9	Very high	98.7	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.104	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.3	172	60.9	0	0	0	0	111.6	G158 K159 I161 V505 K506	G158-T171 WeakPolarHBondContact CA-OG1 3.26Å; K159-T171 PolarHBondContact N-OG1 2.89Å; K159-T171 PolarHBondContact O-N 3.33Å; I161-T171 HydrophobicContact CD1-CG2 3.85Å; T171-V505 HydrophobicContact CG2-CG1 3.93Å; T171-K506 CarbonylContact C-O 3.51Å; T171-K506 VanDerWaalsContact CA-O 3.27Å; T171-K506 WeakPolarHBondContact CA-O 3.28Å
172	R	98.9	Very high	98.7	Very high	125 Å²	125	45.2 Å²	45.2	47%	0.472	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.3	164.2	-62.8	172.5	59.8	93.1	7.4	108	Y170 E174 K506	Y170-R172 HydrophobicContact CD2-CG 4.27Å; Y170-R172 HydrophobicContact CE2-CG 3.75Å; R172-E174 HydrophobicContact CB-CG 4Å; R172-E174 IonicContact CZ-OE1 3.04Å; R172-E174 IonicContact NE-OE1 3.2Å; R172-E174 PolarHBondContact NE-OE1 2.77Å; R172-E174 IonicContact NH2-OE1 3.61Å; R172-E174 PolarHBondContact O-N 2.69Å; R172-K506 HydrophobicContact CB-CB 4.36Å; R172-K506 PolarHBondContact N-O 2.87Å; R172-K506 PolarHBondContact O-N 3.42Å
173	H	98.8	Very high	98.8	Very high	52 Å²	52	40 Å²	40	24%	0.241	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	96.8	166.3	-73.3	-171.6	0	0	0	107.5	W156 E157 T503	W156-H173 AromaticContact CD1-ND1 3.48Å; W156-H173 AromaticContact CE2-ND1 3.82Å; W156-H173 AromaticContact NE1-ND1 3.35Å; W156-H173 PolarHBondContact NE1-ND1 3.37Å; E157-H173 PolarHBondContact O-CE1 3.29Å; E157-H173 PolarHBondContact O-ND1 2.77Å; H173-T503 HydrophobicContact CB-CG2 3.54Å
174	E	98.9	Very high	98.8	Very high	34 Å²	34	38.8 Å²	38.8	16%	0.159	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	153.8	178.1	-60.4	-169.6	170.8	0	0	109.8	R172 T503 E504 K506	R172-E174 HydrophobicContact CB-CG 4Å; R172-E174 IonicContact CZ-OE1 3.04Å; R172-E174 IonicContact NE-OE1 3.2Å; R172-E174 PolarHBondContact NE-OE1 2.77Å; R172-E174 IonicContact NH2-OE1 3.61Å; R172-E174 PolarHBondContact O-N 2.69Å; E174-T503 CarbonylContact O-C 3.46Å; E174-T503 WeakPolarHBondContact O-CA 3.46Å; E174-E504 PolarHBondContact N-O 3.05Å; E174-E504 PolarHBondContact O-N 2.86Å; E174-K506 WeakPolarHBondContact OE1-CE 3.3Å; E174-K506 IonicContact OE1-NZ 3.17Å; E174-K506 PolarHBondContact OE1-NZ 2.88Å; E174-K506 WeakPolarHBondContact OE2-CE 3.41Å; E174-K506 IonicContact OE2-NZ 2.89Å; E174-K506 PolarHBondContact OE2-NZ 3.08Å
175	P	98.9	Very high	98.8	Very high	24 Å²	24	33 Å²	33	16%	0.156	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	143.9	168.8	-3.5	13.1	0	0	0	109.8	F87 G177 T202 G203 N204	F87-P175 HydrophobicContact CE2-CB 3.74Å; F87-P175 HydrophobicContact CE2-CG 3.85Å; F87-P175 HydrophobicContact CZ-CB 4.02Å; F87-P175 HydrophobicContact CZ-CG 4.17Å; P175-G177 VanDerWaalsContact C-N 3.31Å; P175-G177 PolarHBondContact O-N 2.96Å; P175-T202 VanDerWaalsContact CB-O 3.3Å; P175-T202 WeakPolarHBondContact CB-O 2.96Å; P175-T202 VanDerWaalsContact CG-O 3.23Å; P175-T202 WeakPolarHBondContact CG-O 3.01Å; P175-G203 WeakPolarHBondContact CB-O 3.23Å; P175-G203 WeakPolarHBondContact CG-O 3.27Å; P175-N204 VanDerWaalsContact CB-OD1 3.31Å; P175-N204 WeakPolarHBondContact CB-OD1 3.44Å
176	V	98.8	Very high	98.8	Very high	17 Å²	17	31.2 Å²	31.2	10%	0.103	14%	0.141	C	C	.	.			trans	-61.8	-35.9	176.7	65.9	0	0	0	0	113	C179 N204 D256 K257 K281 Y502	V176-C179 WeakPolarHBondContact CG1-SG 3.4Å; V176-N204 WeakPolarHBondContact CG1-OD1 3.5Å; V176-N204 PolarHBondContact N-OD1 2.62Å; V176-D256 HydrophobicContact CG2-CB 4.21Å; V176-K257 HydrophobicContact CG1-CB 3.84Å; V176-K257 HydrophobicContact CG1-CD 3.86Å; V176-K257 HydrophobicContact CG1-CG 4.48Å; V176-K257 HydrophobicContact CG2-CB 4.07Å; V176-K281 HydrophobicContact CG2-CD 4.03Å; V176-Y502 PolarHBondContact N-O 3.02Å
177	G	98.8	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.			trans	134.7	-124.9	176.3	0	0	0	0	0	114.5	P175 N204 T205 D256	P175-G177 VanDerWaalsContact C-N 3.31Å; P175-G177 PolarHBondContact O-N 2.96Å; G177-N204 PolarHBondContact N-OD1 3.08Å; G177-N204 PolarHBondContact O-OD1 3.29Å; G177-T205 PolarHBondContact O-N 3.19Å; G177-T205 PolarHBondContact O-OG1 2.96Å; G177-D256 WeakPolarHBondContact CA-OD2 3.15Å
178	V	98.9	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.6	174.1	-177.7	0	0	0	0	109.2	V80 A83 H84 V207 V255 D256 K257	V80-V178 HydrophobicContact CG1-CG1 4.42Å; A83-V178 HydrophobicContact CB-CG1 3.8Å; A83-V178 HydrophobicContact CB-CG2 4.08Å; H84-V178 HydrophobicContact CB-CG2 4.17Å; V178-V207 HydrophobicContact CG1-CG2 4.19Å; V178-V255 HydrophobicContact CG1-CG2 4.31Å; V178-D256 PolarHBondContact N-OD2 3.45Å; V178-D256 PolarHBondContact O-N 3.3Å; V178-K257 PolarHBondContact O-N 3.03Å
179	C	99	Very high	98.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.4	179.4	-67.1	0	0	0	0	110.9	V176 Q181 T205 V206 V207 K257 Y502	V176-C179 WeakPolarHBondContact CG1-SG 3.4Å; C179-Q181 HydrophobicContact CB-CG 4.32Å; C179-T205 WeakPolarHBondContact CB-O 3.47Å; C179-T205 PolarHBondContact N-O 3.48Å; C179-V206 HydrophobicContact CB-CG2 4.48Å; C179-V206 WeakPolarHBondContact O-CA 3.47Å; C179-V207 PolarHBondContact O-N 3.31Å; C179-K257 CarbonylContact C-O 3.59Å; C179-K257 WeakPolarHBondContact CA-O 3.32Å; C179-Y502 HydrophobicContact CB-CE1 4.33Å
180	G	98.9	Very high	98.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.1	163.3	0	0	0	0	0	110.6	V207 I249 K257 V258 A259	G180-V207 CarbonylContact C-O 3.59Å; G180-V207 WeakPolarHBondContact CA-O 3.47Å; G180-I249 VanDerWaalsContact CA-CG2 3.46Å; G180-K257 PolarHBondContact N-O 3.25Å; G180-V258 CarbonylContact O-C 3.53Å; G180-V258 VanDerWaalsContact O-CA 3.25Å; G180-V258 WeakPolarHBondContact O-CA 3.34Å; G180-A259 PolarHBondContact O-N 3.27Å
181	Q	98.9	Very high	98.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.5	-177.9	-63.5	-175.9	-34.9	0	0	109.9	C179 K195 V206 V207 M208 K209 A259 Y502	C179-Q181 HydrophobicContact CB-CG 4.32Å; Q181-K195 HydrophobicContact CB-CB 4.33Å; Q181-K195 HydrophobicContact CB-CG 4.49Å; Q181-K195 HydrophobicContact CG-CB 4.35Å; Q181-K195 PolarHBondContact NE2-O 3.36Å; Q181-V206 HydrophobicContact CB-CG1 4.34Å; Q181-V206 HydrophobicContact CG-CG1 4.13Å; Q181-V207 PolarHBondContact N-O 3.21Å; Q181-M208 HydrophobicContact CB-CB 4.45Å; Q181-M208 HydrophobicContact CB-CE 4.06Å; Q181-M208 HydrophobicContact CB-CG 4.47Å; Q181-M208 CarbonylContact O-C 3.42Å; Q181-M208 WeakPolarHBondContact O-CA 3.2Å; Q181-K209 PolarHBondContact O-N 3.38Å; Q181-A259 WeakPolarHBondContact CA-O 3.4Å; Q181-Y502 PolarHBondContact NE2-OH 3.22Å
182	I	98.9	Very high	98.9	Very high	10 Å²	10	17.3 Å²	17.3	5%	0.051	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.2	-175.8	-57.3	167.6	0	0	0	107.8	K209 I249 A259 F260 T261 I270	I182-K209 HydrophobicContact CG1-CB 4.26Å; I182-K209 HydrophobicContact CG2-CD 4.16Å; I182-I249 HydrophobicContact CD1-CB 4.48Å; I182-I249 HydrophobicContact CD1-CG2 4.39Å; I182-I249 HydrophobicContact CG1-CG2 4.49Å; I182-A259 PolarHBondContact N-O 2.88Å; I182-F260 HydrophobicContact CB-CD2 3.84Å; I182-F260 HydrophobicContact CD1-CD2 4.5Å; I182-F260 HydrophobicContact CG2-CD2 3.66Å; I182-F260 HydrophobicContact CG2-CE2 3.96Å; I182-T261 PolarHBondContact O-N 3.35Å; I182-I270 HydrophobicContact CD1-CD1 3.76Å
183	I	98.9	Very high	98.9	Very high	7 Å²	7	11.5 Å²	11.5	4%	0.036	6%	0.059	C	C	.	.			trans	-117	151.1	-171.6	63.4	170.7	0	0	0	112.8	M191 Q192 K195 M208 K209 V210 A211	I183-M191 HydrophobicContact CB-CB 4.04Å; I183-M191 HydrophobicContact CD1-CB 4.44Å; I183-M191 HydrophobicContact CG2-CB 4.2Å; I183-Q192 HydrophobicContact CD1-CB 4Å; I183-K195 HydrophobicContact CG2-CG 3.62Å; I183-M208 HydrophobicContact CD1-SD 3.98Å; I183-K209 PolarHBondContact N-O 2.88Å; I183-K209 VanDerWaalsContact N-O 3.14Å; I183-V210 HydrophobicContact CD1-CG1 4.14Å; I183-V210 HydrophobicContact CG1-CG1 4.4Å; I183-A211 PolarHBondContact O-N 3.03Å
184	P	98.8	Very high	98.9	Very high	17 Å²	17	9.7 Å²	9.7	11%	0.11	5%	0.05	C	C	.	.			trans	-85.5	179.7	179.2	39.4	-40.2	0	0	0	111.1	N186 M191 T261	P184-N186 VanDerWaalsContact CG-OD1 3.24Å; P184-N186 WeakPolarHBondContact CG-OD1 3.45Å; P184-M191 HydrophobicContact CG-CG 3.89Å; P184-M191 HydrophobicContact CG-SD 4.39Å; P184-T261 WeakPolarHBondContact CD-O 3.37Å; P184-T261 HydrophobicContact CG-CG2 3.83Å
185	W	98.8	Very high	98.9	Very high	27 Å²	27	8 Å²	8	10%	0.102	4%	0.042	C	C	.	.	S	Bend	trans	-95.6	-8.7	-174.4	48.2	-104.9	0	0	0	115	N127 P188 A211 Q213 T214 Q317 V362 Q366 F418	N127-W185 PolarHBondContact ND2-O 3.16Å; W185-P188 WeakPolarHBondContact O-CD 3.16Å; W185-P188 WeakPolarHBondContact O-CG 3.35Å; W185-A211 HydrophobicContact CB-CB 3.62Å; W185-A211 HydrophobicContact CG-CB 4.41Å; W185-Q213 HydrophobicContact CB-CB 3.88Å; W185-Q213 VanDerWaalsContact CD1-OE1 3.29Å; W185-Q213 HydrophobicContact CG-CB 4.25Å; W185-Q213 HydrophobicContact CG-CG 4.37Å; W185-T214 VanDerWaalsContact CA-OG1 3.25Å; W185-T214 WeakPolarHBondContact CA-OG1 3.44Å; W185-T214 HydrophobicContact CB-CG2 3.9Å; W185-T214 WeakPolarHBondContact CB-OG1 3.23Å; W185-Q317 HydrophobicContact CH2-CB 3.91Å; W185-Q317 HydrophobicContact CH2-CG 3.91Å; W185-Q317 HydrophobicContact CZ3-CB 3.73Å; W185-Q317 HydrophobicContact CZ3-CG 3.89Å; W185-V362 HydrophobicContact CB-CG2 4.33Å; W185-V362 HydrophobicContact CD2-CB 4.1Å; W185-V362 HydrophobicContact CD2-CG1 3.66Å; W185-V362 HydrophobicContact CD2-CG2 4.02Å; W185-V362 HydrophobicContact CE3-CB 3.52Å; W185-V362 HydrophobicContact CE3-CG1 3.52Å; W185-V362 HydrophobicContact CE3-CG2 3.62Å; W185-V362 HydrophobicContact CG-CG1 4.42Å; W185-V362 HydrophobicContact CG-CG2 4.32Å; W185-V362 HydrophobicContact CH2-CB 4.12Å; W185-V362 HydrophobicContact CH2-CG1 3.53Å; W185-V362 HydrophobicContact CZ2-CG1 3.7Å; W185-V362 HydrophobicContact CZ3-CB 3.55Å; W185-V362 HydrophobicContact CZ3-CG1 3.47Å; W185-V362 VanDerWaalsContact CZ3-CG1 3.47Å; W185-V362 HydrophobicContact CZ3-CG2 4.19Å; W185-Q366 HydrophobicContact CH2-CG 4.04Å; W185-Q366 HydrophobicContact CZ2-CG 3.69Å; W185-F418 AromaticContact CH2-CD1 3.44Å; W185-F418 HydrophobicContact CH2-CD1 3.44Å; W185-F418 VanDerWaalsContact CH2-CD1 3.44Å; W185-F418 AromaticContact CH2-CE1 3.3Å; W185-F418 HydrophobicContact CH2-CE1 3.3Å; W185-F418 AromaticContact CZ2-CD1 3.7Å; W185-F418 HydrophobicContact CZ2-CD1 3.7Å; W185-F418 AromaticContact CZ2-CE1 3.55Å; W185-F418 HydrophobicContact CZ2-CE1 3.55Å; W185-F418 HydrophobicContact CZ3-CD1 4.42Å; W185-F418 AromaticContact CZ3-CE1 3.95Å; W185-F418 HydrophobicContact CZ3-CE1 3.95Å
186	N	98.7	Very high	98.9	Very high	7 Å²	7	7 Å²	7	4%	0.037	4%	0.035	C	C	.	.	S	Bend	trans	-79.5	-34.8	-168.2	64.2	-35	0	0	0	113.8	K129 P184 N314 Q317 F418	K129-N186 PolarHBondContact NZ-O 3.45Å; K129-N186 VanDerWaalsContact NZ-O 3.08Å; P184-N186 VanDerWaalsContact CG-OD1 3.24Å; P184-N186 WeakPolarHBondContact CG-OD1 3.45Å; N186-N314 PolarHBondContact O-ND2 2.8Å; N186-Q317 HydrophobicContact CB-CB 4.24Å; N186-Q317 VanDerWaalsContact CB-O 3.27Å; N186-Q317 WeakPolarHBondContact CB-O 3.25Å; N186-Q317 PolarHBondContact ND2-O 2.8Å; N186-F418 HydrophobicContact CB-CE1 4.06Å; N186-F418 HydrophobicContact CB-CZ 4.07Å
187	F	98.8	Very high	98.9	Very high	17 Å²	17	6.2 Å²	6.2	8%	0.075	3%	0.03	C	C	.	.	S	Bend	trans	-130.6	69.1	168.2	-57.5	-89.3	0	0	0	111.1	D138 L189 V190 M191 F313 N314 C318	D138-F187 WeakPolarHBondContact OD2-CD1 3.26Å; F187-L189 PolarHBondContact O-N 3.45Å; F187-V190 HydrophobicContact CB-CB 3.81Å; F187-V190 HydrophobicContact CB-CG2 4.09Å; F187-V190 PolarHBondContact O-N 3.34Å; F187-M191 HydrophobicContact CB-CG 4.24Å; F187-M191 WeakPolarHBondContact O-CB 3.4Å; F187-M191 VanDerWaalsContact O-CG 3.23Å; F187-M191 WeakPolarHBondContact O-CG 3.29Å; F187-M191 PolarHBondContact O-N 2.86Å; F187-F313 AromaticContact CE1-CE1 3.57Å; F187-F313 HydrophobicContact CE1-CE1 3.57Å; F187-F313 AromaticContact CE1-CZ 3.89Å; F187-F313 HydrophobicContact CE1-CZ 3.89Å; F187-F313 HydrophobicContact CZ-CD1 4.13Å; F187-F313 AromaticContact CZ-CE1 3.5Å; F187-F313 HydrophobicContact CZ-CE1 3.5Å; F187-F313 VanDerWaalsContact CZ-CE1 3.5Å; F187-F313 HydrophobicContact CZ-CZ 4.28Å; F187-N314 HydrophobicContact CE1-CB 3.92Å; F187-N314 HydrophobicContact CE2-CB 4.46Å; F187-N314 HydrophobicContact CZ-CB 3.58Å; F187-N314 WeakPolarHBondContact CZ-ND2 3.17Å; F187-C318 HydrophobicContact CE2-CB 4.37Å
188	P	98.9	Very high	98.9	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-48.4	-55.5	-170.7	-27	29.6	0	0	0	113.8	E123 W185 Q192 T214	E123-P188 WeakPolarHBondContact OE1-CD 3.43Å; E123-P188 WeakPolarHBondContact OE1-CG 3.49Å; W185-P188 WeakPolarHBondContact O-CD 3.16Å; W185-P188 WeakPolarHBondContact O-CG 3.35Å; P188-Q192 WeakPolarHBondContact O-CB 3.35Å; P188-Q192 PolarHBondContact O-N 2.94Å; P188-T214 HydrophobicContact CG-CG2 3.94Å; P188-T214 WeakPolarHBondContact CG-OG1 3.35Å
189	L	98.9	Very high	98.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67.7	-43.3	-179.5	-75.1	169.2	0	0	0	112.7	L119 E123 L139 V142 F187 M191 Q192 A193 T217 V221	L119-L189 HydrophobicContact CB-CD1 4.16Å; L119-L189 HydrophobicContact CD2-CD1 4.31Å; L119-L189 HydrophobicContact CD2-CD2 4.19Å; E123-L189 HydrophobicContact CB-CD1 4.37Å; E123-L189 HydrophobicContact CG-CD1 4.46Å; E123-L189 PolarHBondContact OE1-N 2.94Å; E123-L189 WeakPolarHBondContact OE2-CG 3.49Å; L139-L189 HydrophobicContact CD1-CD1 4.24Å; L139-L189 HydrophobicContact CD2-CD1 3.85Å; V142-L189 HydrophobicContact CG2-CB 3.73Å; F187-L189 PolarHBondContact O-N 3.45Å; L189-M191 PolarHBondContact O-N 3.13Å; L189-Q192 PolarHBondContact O-N 2.98Å; L189-A193 PolarHBondContact O-N 2.99Å; L189-T217 HydrophobicContact CD1-CG2 4.32Å; L189-T217 HydrophobicContact CG-CG2 4.47Å; L189-V221 HydrophobicContact CD2-CG2 3.49Å; L189-V221 VanDerWaalsContact CD2-CG2 3.49Å
190	V	98.9	Very high	98.9	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.024	3%	0.031	C	C	.	.	H	α-helix	trans	-63.6	-44.8	-178.4	-176	0	0	0	0	110.4	D138 L141 V142 F187 A193 W194	D138-V190 HydrophobicContact CB-CG2 3.88Å; L141-V190 HydrophobicContact CB-CG1 4.42Å; L141-V190 HydrophobicContact CB-CG2 4.38Å; V142-V190 HydrophobicContact CG2-CB 4.45Å; V142-V190 HydrophobicContact CG2-CG2 4.06Å; F187-V190 HydrophobicContact CB-CB 3.81Å; F187-V190 HydrophobicContact CB-CG2 4.09Å; F187-V190 PolarHBondContact O-N 3.34Å; V190-A193 PolarHBondContact O-N 3.21Å; V190-W194 HydrophobicContact CG1-CZ2 4.43Å; V190-W194 VanDerWaalsContact CG1-NE1 3.28Å; V190-W194 PolarHBondContact O-N 3.42Å
191	M	98.9	Very high	98.9	Very high	15 Å²	15	6.3 Å²	6.3	7%	0.074	3%	0.031	C	C	.	.	H	α-helix	trans	-66.4	-38.1	178.8	-66.3	-62.5	98.8	0	0	111.7	I183 P184 F187 L189 W194 K195 T261	I183-M191 HydrophobicContact CB-CB 4.04Å; I183-M191 HydrophobicContact CD1-CB 4.44Å; I183-M191 HydrophobicContact CG2-CB 4.2Å; P184-M191 HydrophobicContact CG-CG 3.89Å; P184-M191 HydrophobicContact CG-SD 4.39Å; F187-M191 HydrophobicContact CB-CG 4.24Å; F187-M191 WeakPolarHBondContact O-CB 3.4Å; F187-M191 VanDerWaalsContact O-CG 3.23Å; F187-M191 WeakPolarHBondContact O-CG 3.29Å; F187-M191 PolarHBondContact O-N 2.86Å; L189-M191 PolarHBondContact O-N 3.13Å; M191-W194 HydrophobicContact CE-CD2 3.84Å; M191-W194 HydrophobicContact CE-CE3 3.9Å; M191-W194 HydrophobicContact CE-CG 4.27Å; M191-W194 HydrophobicContact CE-CH2 4.46Å; M191-W194 HydrophobicContact CE-CZ2 4.39Å; M191-W194 HydrophobicContact CE-CZ3 4.23Å; M191-W194 PolarHBondContact O-N 3.24Å; M191-K195 VanDerWaalsContact O-CG 3.23Å; M191-K195 WeakPolarHBondContact O-CG 3.46Å; M191-K195 PolarHBondContact O-N 2.73Å; M191-T261 HydrophobicContact SD-CG2 4.01Å
192	Q	98.9	Very high	98.9	Very high	4 Å²	4	7 Å²	7	2%	0.019	4%	0.035	C	C	.	.	H	α-helix	trans	-59	-47.3	171.1	179.9	179.9	49	0	0	111.1	I183 P188 L189 W194 K195 L196 M208 A218 V221 I237	I183-Q192 HydrophobicContact CD1-CB 4Å; P188-Q192 WeakPolarHBondContact O-CB 3.35Å; P188-Q192 PolarHBondContact O-N 2.94Å; L189-Q192 PolarHBondContact O-N 2.98Å; Q192-W194 PolarHBondContact O-N 2.92Å; Q192-K195 PolarHBondContact O-N 3.43Å; Q192-L196 HydrophobicContact CG-CD1 3.66Å; Q192-L196 HydrophobicContact CG-CG 4.12Å; Q192-L196 WeakPolarHBondContact O-CB 3.46Å; Q192-L196 WeakPolarHBondContact O-CG 3.4Å; Q192-L196 PolarHBondContact O-N 2.7Å; Q192-M208 HydrophobicContact CB-SD 4.3Å; Q192-M208 HydrophobicContact CG-CE 4.16Å; Q192-M208 HydrophobicContact CG-SD 3.8Å; Q192-A218 PolarHBondContact NE2-O 2.83Å; Q192-V221 VanDerWaalsContact OE1-CB 3.26Å; Q192-I237 VanDerWaalsContact NE2-CD1 3.33Å
193	A	98.9	Very high	98.9	Very high	3 Å²	3	6.7 Å²	6.7	3%	0.025	3%	0.034	C	C	.	.	H	α-helix	trans	-63.4	-42.6	179.7	0	0	0	0	0	112.9	V142 C145 L146 L189 V190 K195 L196 G197	V142-A193 HydrophobicContact CB-CB 4.28Å; V142-A193 HydrophobicContact CG1-CB 3.97Å; V142-A193 HydrophobicContact CG2-CB 4.28Å; C145-A193 HydrophobicContact CB-CB 4.3Å; L146-A193 HydrophobicContact CD2-CB 4.36Å; L146-A193 HydrophobicContact CG-CB 4.31Å; L189-A193 PolarHBondContact O-N 2.99Å; V190-A193 PolarHBondContact O-N 3.21Å; A193-K195 PolarHBondContact O-N 2.85Å; A193-L196 PolarHBondContact O-N 3.03Å; A193-G197 PolarHBondContact O-N 3.21Å
194	W	98.8	Very high	98.9	Very high	14 Å²	14	6.3 Å²	6.3	5%	0.053	3%	0.033	C	C	.	.	H	α-helix	trans	-61.6	-28.9	177.6	-77.1	31.1	0	0	0	112.7	V190 M191 Q192 P198 F476 F482 E493 L494	V190-W194 HydrophobicContact CG1-CZ2 4.43Å; V190-W194 VanDerWaalsContact CG1-NE1 3.28Å; V190-W194 PolarHBondContact O-N 3.42Å; M191-W194 HydrophobicContact CE-CD2 3.84Å; M191-W194 HydrophobicContact CE-CE3 3.9Å; M191-W194 HydrophobicContact CE-CG 4.27Å; M191-W194 HydrophobicContact CE-CH2 4.46Å; M191-W194 HydrophobicContact CE-CZ2 4.39Å; M191-W194 HydrophobicContact CE-CZ3 4.23Å; M191-W194 PolarHBondContact O-N 3.24Å; Q192-W194 PolarHBondContact O-N 2.92Å; W194-P198 WeakPolarHBondContact O-CD 3.41Å; W194-P198 WeakPolarHBondContact O-CG 3.42Å; W194-F476 AromaticContact CH2-CD1 3.98Å; W194-F476 HydrophobicContact CH2-CD1 3.98Å; W194-F476 HydrophobicContact CH2-CE1 4.11Å; W194-F476 HydrophobicContact CZ2-CD1 4.19Å; W194-F482 HydrophobicContact CH2-CB 4.26Å; W194-F482 HydrophobicContact CH2-CD1 4.01Å; W194-F482 HydrophobicContact CH2-CG 4.18Å; W194-F482 HydrophobicContact CZ3-CB 4.21Å; W194-F482 AromaticContact CZ3-CD1 3.7Å; W194-F482 HydrophobicContact CZ3-CD1 3.7Å; W194-F482 HydrophobicContact CZ3-CE1 4.41Å; W194-F482 HydrophobicContact CZ3-CG 4.2Å; W194-E493 HydrophobicContact CE3-CB 4.2Å; W194-L494 HydrophobicContact CD2-CD1 4.25Å; W194-L494 HydrophobicContact CD2-CD2 3.77Å; W194-L494 HydrophobicContact CD2-CG 3.95Å; W194-L494 HydrophobicContact CE3-CD1 4.42Å; W194-L494 HydrophobicContact CE3-CD2 4.37Å; W194-L494 HydrophobicContact CE3-CG 4.09Å; W194-L494 HydrophobicContact CG-CD2 3.89Å; W194-L494 HydrophobicContact CH2-CD1 3.68Å; W194-L494 HydrophobicContact CH2-CG 4.23Å; W194-L494 HydrophobicContact CZ2-CD1 3.46Å; W194-L494 VanDerWaalsContact CZ2-CD1 3.46Å; W194-L494 HydrophobicContact CZ2-CD2 4.39Å; W194-L494 HydrophobicContact CZ2-CG 4.11Å; W194-L494 HydrophobicContact CZ3-CD1 4.16Å; W194-L494 HydrophobicContact CZ3-CG 4.21Å
195	K	98.9	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-86.4	-49	177.6	-66.4	-64.8	179.8	-67.8	0	112.1	Q181 I183 M191 Q192 A193 A199 M208 A259 T261 E493	Q181-K195 HydrophobicContact CB-CB 4.33Å; Q181-K195 HydrophobicContact CB-CG 4.49Å; Q181-K195 HydrophobicContact CG-CB 4.35Å; Q181-K195 PolarHBondContact NE2-O 3.36Å; I183-K195 HydrophobicContact CG2-CG 3.62Å; M191-K195 VanDerWaalsContact O-CG 3.23Å; M191-K195 WeakPolarHBondContact O-CG 3.46Å; M191-K195 PolarHBondContact O-N 2.73Å; Q192-K195 PolarHBondContact O-N 3.43Å; A193-K195 PolarHBondContact O-N 2.85Å; K195-A199 VanDerWaalsContact O-CB 3.29Å; K195-A199 WeakPolarHBondContact O-CB 3.44Å; K195-M208 HydrophobicContact CB-CE 3.75Å; K195-A259 HydrophobicContact CD-CB 3.96Å; K195-T261 WeakPolarHBondContact CE-OG1 3.36Å; K195-T261 PolarHBondContact NZ-OG1 2.86Å; K195-E493 VanDerWaalsContact CD-OE1 3.26Å; K195-E493 WeakPolarHBondContact CD-OE1 3.35Å; K195-E493 WeakPolarHBondContact CE-OE1 3.27Å; K195-E493 IonicContact NZ-OE1 3.28Å; K195-E493 PolarHBondContact NZ-OE1 3.03Å; K195-E493 IonicContact NZ-OE2 2.74Å; K195-E493 PolarHBondContact NZ-OE2 3.15Å
196	L	98.9	Very high	98.9	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-68.6	-42.8	-176.8	-68.5	-176	0	0	0	112.2	Q192 A193 A199 L200 V206 M208 I225 V235	Q192-L196 HydrophobicContact CG-CD1 3.66Å; Q192-L196 HydrophobicContact CG-CG 4.12Å; Q192-L196 WeakPolarHBondContact O-CB 3.46Å; Q192-L196 WeakPolarHBondContact O-CG 3.4Å; Q192-L196 PolarHBondContact O-N 2.7Å; A193-L196 PolarHBondContact O-N 3.03Å; L196-A199 PolarHBondContact O-N 3.02Å; L196-L200 HydrophobicContact CB-CD1 4.03Å; L196-L200 HydrophobicContact CD2-CD1 4.45Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.26Å; L196-L200 VanDerWaalsContact O-CG 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.27Å; L196-L200 PolarHBondContact O-N 2.93Å; L196-V206 HydrophobicContact CD2-CB 4.31Å; L196-V206 HydrophobicContact CD2-CG1 3.97Å; L196-V206 HydrophobicContact CD2-CG2 4.16Å; L196-M208 HydrophobicContact CD2-CE 3.78Å; L196-M208 HydrophobicContact CG-CE 3.84Å; L196-I225 HydrophobicContact CD1-CD1 3.85Å; L196-V235 HydrophobicContact CD2-CG1 4.04Å; L196-V235 HydrophobicContact CD2-CG2 4.32Å
197	G	98.9	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-49.1	-65.7	-177.7	0	0	0	0	0	113.6	Y149 A193 A199 A201	Y149-G197 VanDerWaalsContact CB-C 3.48Å; A193-G197 PolarHBondContact O-N 3.21Å; G197-A199 PolarHBondContact O-N 3.08Å; G197-A201 VanDerWaalsContact O-CB 3.25Å; G197-A201 WeakPolarHBondContact O-CB 3.42Å; G197-A201 PolarHBondContact O-N 3.33Å
198	P	98.9	Very high	98.9	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.006	2%	0.017	C	C	.	.	H	α-helix	trans	-66.9	-36.9	-177.6	24.9	-31	0	0	0	112.4	Y149 W194 T202 L499 Y502	Y149-P198 HydrophobicContact CD1-CB 4.01Å; Y149-P198 HydrophobicContact CD2-CB 4.46Å; Y149-P198 HydrophobicContact CD2-CG 4.47Å; Y149-P198 HydrophobicContact CE1-CB 3.67Å; Y149-P198 HydrophobicContact CE1-CG 4.46Å; Y149-P198 HydrophobicContact CE2-CB 4.12Å; Y149-P198 HydrophobicContact CE2-CG 4.02Å; Y149-P198 HydrophobicContact CG-CB 4.39Å; W194-P198 WeakPolarHBondContact O-CD 3.41Å; W194-P198 WeakPolarHBondContact O-CG 3.42Å; P198-T202 WeakPolarHBondContact O-CB 3.39Å; P198-T202 WeakPolarHBondContact O-CG2 3.43Å; P198-T202 PolarHBondContact O-N 3.38Å; P198-T202 PolarHBondContact O-OG1 3.26Å; P198-L499 HydrophobicContact CB-CD2 4.26Å; P198-Y502 HydrophobicContact CB-CD2 3.79Å; P198-Y502 HydrophobicContact CB-CE2 3.93Å; P198-Y502 HydrophobicContact CG-CD2 4.05Å; P198-Y502 HydrophobicContact CG-CE2 3.64Å
199	A	98.9	Very high	98.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-63.6	-47.1	-179.4	0	0	0	0	0	112.1	K195 L196 G197 T202 G203 N204 V206 Y502	K195-A199 VanDerWaalsContact O-CB 3.29Å; K195-A199 WeakPolarHBondContact O-CB 3.44Å; L196-A199 PolarHBondContact O-N 3.02Å; G197-A199 PolarHBondContact O-N 3.08Å; A199-T202 PolarHBondContact O-OG1 3.01Å; A199-G203 PolarHBondContact O-N 3.48Å; A199-N204 HydrophobicContact CB-CB 4.39Å; A199-N204 VanDerWaalsContact O-CB 3.3Å; A199-N204 WeakPolarHBondContact O-CB 3.26Å; A199-N204 PolarHBondContact O-N 3.25Å; A199-N204 PolarHBondContact O-ND2 2.88Å; A199-V206 HydrophobicContact CB-CG2 3.99Å; A199-Y502 HydrophobicContact CB-CD1 3.7Å; A199-Y502 HydrophobicContact CB-CE1 3.61Å; A199-Y502 HydrophobicContact CB-CG 4.36Å
200	L	98.9	Very high	98.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-74.3	-37.4	-178.7	-64.1	175.2	0	0	0	111.8	W93 R101 L105 L196 T202 G203 F230 V234 V235	W93-L200 HydrophobicContact CH2-CD2 4.42Å; W93-L200 HydrophobicContact CZ2-CB 4.49Å; W93-L200 HydrophobicContact CZ2-CD2 4.03Å; R101-L200 WeakPolarHBondContact CD-O 3.33Å; L105-L200 HydrophobicContact CD1-CB 4.28Å; L105-L200 HydrophobicContact CD2-CB 4.1Å; L105-L200 HydrophobicContact CD2-CD1 4.05Å; L105-L200 HydrophobicContact CG-CB 4.38Å; L196-L200 HydrophobicContact CB-CD1 4.03Å; L196-L200 HydrophobicContact CD2-CD1 4.45Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.26Å; L196-L200 VanDerWaalsContact O-CG 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.27Å; L196-L200 PolarHBondContact O-N 2.93Å; L200-T202 VanDerWaalsContact C-N 3.26Å; L200-T202 PolarHBondContact O-N 3.16Å; L200-G203 PolarHBondContact O-N 3.28Å; L200-F230 HydrophobicContact CB-CE1 4.43Å; L200-F230 HydrophobicContact CD1-CE1 3.81Å; L200-F230 HydrophobicContact CD1-CZ 4.03Å; L200-F230 HydrophobicContact CD2-CE1 4.32Å; L200-F230 HydrophobicContact CG-CE1 4.42Å; L200-V234 HydrophobicContact CD2-CG1 3.61Å; L200-V235 HydrophobicContact CD1-CG2 4.06Å; L200-V235 HydrophobicContact CD2-CG2 3.84Å
201	A	98.9	Very high	98.9	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.008	2%	0.018	C	C	.	.	H	α-helix	trans	-57.8	-42.3	175.8	0	0	0	0	0	111.5	R101 L105 Y149 A153 G197 G203	R101-A201 PolarHBondContact NE-O 3.29Å; R101-A201 PolarHBondContact NH2-O 3.19Å; L105-A201 HydrophobicContact CD1-CB 3.92Å; Y149-A201 VanDerWaalsContact O-CB 3.26Å; Y149-A201 WeakPolarHBondContact O-CB 3.2Å; A153-A201 WeakPolarHBondContact CA-O 3.38Å; A153-A201 HydrophobicContact CB-CB 4.19Å; G197-A201 VanDerWaalsContact O-CB 3.25Å; G197-A201 WeakPolarHBondContact O-CB 3.42Å; G197-A201 PolarHBondContact O-N 3.33Å; A201-G203 VanDerWaalsContact C-N 3.28Å; A201-G203 PolarHBondContact O-N 3.02Å
202	T	98.9	Very high	98.9	Very high	15 Å²	15	5 Å²	5	9%	0.092	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.4	178	50.9	0	0	0	0	114.1	P175 P198 A199 L200 N204 L499 Y502	P175-T202 VanDerWaalsContact CB-O 3.3Å; P175-T202 WeakPolarHBondContact CB-O 2.96Å; P175-T202 VanDerWaalsContact CG-O 3.23Å; P175-T202 WeakPolarHBondContact CG-O 3.01Å; P198-T202 WeakPolarHBondContact O-CB 3.39Å; P198-T202 WeakPolarHBondContact O-CG2 3.43Å; P198-T202 PolarHBondContact O-N 3.38Å; P198-T202 PolarHBondContact O-OG1 3.26Å; A199-T202 PolarHBondContact O-OG1 3.01Å; L200-T202 VanDerWaalsContact C-N 3.26Å; L200-T202 PolarHBondContact O-N 3.16Å; T202-N204 PolarHBondContact OG1-ND2 3.19Å; T202-L499 HydrophobicContact CG2-CB 4.23Å; T202-L499 HydrophobicContact CG2-CD2 3.83Å; T202-Y502 WeakPolarHBondContact OG1-CB 3.45Å
203	G	98.9	Very high	98.9	Very high	3 Å²	3	6.4 Å²	6.4	3%	0.031	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	22.3	173.3	0	0	0	0	0	115.2	W93 P175 A199 L200 A201	W93-G203 PolarHBondContact NE1-O 3.46Å; W93-G203 VanDerWaalsContact NE1-O 3.08Å; P175-G203 WeakPolarHBondContact CB-O 3.23Å; P175-G203 WeakPolarHBondContact CG-O 3.27Å; A199-G203 PolarHBondContact O-N 3.48Å; L200-G203 PolarHBondContact O-N 3.28Å; A201-G203 VanDerWaalsContact C-N 3.28Å; A201-G203 PolarHBondContact O-N 3.02Å
204	N	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.			trans	-78.3	167.5	174.3	-65.7	-77.4	0	0	0	111.9	W93 P175 V176 G177 A199 T202 Y502	W93-N204 PolarHBondContact NE1-O 3.3Å; P175-N204 VanDerWaalsContact CB-OD1 3.31Å; P175-N204 WeakPolarHBondContact CB-OD1 3.44Å; V176-N204 WeakPolarHBondContact CG1-OD1 3.5Å; V176-N204 PolarHBondContact N-OD1 2.62Å; G177-N204 PolarHBondContact N-OD1 3.08Å; G177-N204 PolarHBondContact O-OD1 3.29Å; A199-N204 HydrophobicContact CB-CB 4.39Å; A199-N204 VanDerWaalsContact O-CB 3.3Å; A199-N204 WeakPolarHBondContact O-CB 3.26Å; A199-N204 PolarHBondContact O-N 3.25Å; A199-N204 PolarHBondContact O-ND2 2.88Å; T202-N204 PolarHBondContact OG1-ND2 3.19Å; N204-Y502 PolarHBondContact ND2-O 3.38Å
205	T	99	Very high	98.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	154.6	166	58.3	0	0	0	0	109.2	A83 A86 F87 G177 C179 V234	A83-T205 PolarHBondContact O-OG1 3.34Å; A86-T205 HydrophobicContact CB-CG2 4.01Å; F87-T205 HydrophobicContact CB-CG2 3.86Å; F87-T205 HydrophobicContact CD2-CG2 4.18Å; F87-T205 HydrophobicContact CG-CG2 4.49Å; G177-T205 PolarHBondContact O-N 3.19Å; G177-T205 PolarHBondContact O-OG1 2.96Å; C179-T205 WeakPolarHBondContact CB-O 3.47Å; C179-T205 PolarHBondContact N-O 3.48Å; T205-V234 CarbonylContact C-O 3.42Å; T205-V234 WeakPolarHBondContact CA-O 3.19Å
206	V	98.9	Very high	98.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.6	-168.4	173.7	0	0	0	0	111.5	C179 Q181 L196 A199 M208 V234 N236	C179-V206 HydrophobicContact CB-CG2 4.48Å; C179-V206 WeakPolarHBondContact O-CA 3.47Å; Q181-V206 HydrophobicContact CB-CG1 4.34Å; Q181-V206 HydrophobicContact CG-CG1 4.13Å; L196-V206 HydrophobicContact CD2-CB 4.31Å; L196-V206 HydrophobicContact CD2-CG1 3.97Å; L196-V206 HydrophobicContact CD2-CG2 4.16Å; A199-V206 HydrophobicContact CB-CG2 3.99Å; V206-M208 HydrophobicContact CG1-CB 3.89Å; V206-V234 PolarHBondContact N-O 3.26Å; V206-N236 PolarHBondContact O-N 3.11Å; V206-N236 PolarHBondContact O-ND2 3.49Å
207	V	99	Very high	98.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	104	160	-179.1	0	0	0	0	107.3	A79 V80 A83 V178 C179 G180 Q181 L238 I249	A79-V207 HydrophobicContact CB-CG1 3.85Å; A79-V207 HydrophobicContact CB-CG2 4.13Å; V80-V207 HydrophobicContact CG2-CG2 3.97Å; A83-V207 HydrophobicContact CB-CG2 3.93Å; V178-V207 HydrophobicContact CG1-CG2 4.19Å; C179-V207 PolarHBondContact O-N 3.31Å; G180-V207 CarbonylContact C-O 3.59Å; G180-V207 WeakPolarHBondContact CA-O 3.47Å; Q181-V207 PolarHBondContact N-O 3.21Å; V207-L238 HydrophobicContact CG1-CD1 3.81Å; V207-L238 HydrophobicContact CG1-CG 4.48Å; V207-I249 HydrophobicContact CG1-CD1 4.03Å; V207-I249 HydrophobicContact CG1-CG1 4.2Å
208	M	98.9	Very high	98.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.8	-174.8	-179.5	171.1	-74.8	0	0	111.1	Q181 I183 Q192 K195 L196 V206 V210 N236 I237 L238	Q181-M208 HydrophobicContact CB-CB 4.45Å; Q181-M208 HydrophobicContact CB-CE 4.06Å; Q181-M208 HydrophobicContact CB-CG 4.47Å; Q181-M208 CarbonylContact O-C 3.42Å; Q181-M208 WeakPolarHBondContact O-CA 3.2Å; I183-M208 HydrophobicContact CD1-SD 3.98Å; Q192-M208 HydrophobicContact CB-SD 4.3Å; Q192-M208 HydrophobicContact CG-CE 4.16Å; Q192-M208 HydrophobicContact CG-SD 3.8Å; K195-M208 HydrophobicContact CB-CE 3.75Å; L196-M208 HydrophobicContact CD2-CE 3.78Å; L196-M208 HydrophobicContact CG-CE 3.84Å; V206-M208 HydrophobicContact CG1-CB 3.89Å; M208-V210 HydrophobicContact CG-CG1 4.13Å; M208-V210 HydrophobicContact SD-CG1 4.27Å; M208-N236 PolarHBondContact N-O 3.37Å; M208-I237 HydrophobicContact CB-CG1 4.44Å; M208-I237 CarbonylContact O-C 3.42Å; M208-I237 WeakPolarHBondContact O-CA 3.31Å; M208-L238 PolarHBondContact O-N 3.38Å
209	K	98.9	Very high	98.9	Very high	5 Å²	5	5.8 Å²	5.8	2%	0.022	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.7	165.6	-173	-86.1	174.6	-154.9	0	109.4	Q181 I182 I183 E212 L238 G240 A245 I249	Q181-K209 PolarHBondContact O-N 3.38Å; I182-K209 HydrophobicContact CG1-CB 4.26Å; I182-K209 HydrophobicContact CG2-CD 4.16Å; I183-K209 PolarHBondContact N-O 2.88Å; I183-K209 VanDerWaalsContact N-O 3.14Å; K209-E212 IonicContact NZ-OE2 3.34Å; K209-E212 PolarHBondContact NZ-OE2 3.34Å; K209-L238 WeakPolarHBondContact CA-O 3.38Å; K209-G240 WeakPolarHBondContact CE-O 3.22Å; K209-G240 PolarHBondContact NZ-O 2.87Å; K209-A245 HydrophobicContact CG-CB 4.06Å; K209-I249 HydrophobicContact CB-CD1 3.64Å
210	V	98.9	Very high	98.9	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	149.2	177.1	-58.9	0	0	0	0	110.1	I183 M208 P215 A218 I237 L238 P239	I183-V210 HydrophobicContact CD1-CG1 4.14Å; I183-V210 HydrophobicContact CG1-CG1 4.4Å; M208-V210 HydrophobicContact CG-CG1 4.13Å; M208-V210 HydrophobicContact SD-CG1 4.27Å; V210-P215 HydrophobicContact CG2-CB 3.85Å; V210-A218 HydrophobicContact CB-CB 4.3Å; V210-A218 HydrophobicContact CG1-CB 3.52Å; V210-I237 HydrophobicContact CG1-CG2 3.58Å; V210-L238 PolarHBondContact N-O 3.38Å; V210-P239 HydrophobicContact CG2-CB 3.97Å
211	A	98.6	Very high	98.9	Very high	4 Å²	4	7.5 Å²	7.5	3%	0.033	4%	0.037	C	C	.	.	P	Polyproline II helix	trans	-59.7	139.1	179.6	0	0	0	0	0	111.5	I183 W185 Q213 T214	I183-A211 PolarHBondContact O-N 3.03Å; W185-A211 HydrophobicContact CB-CB 3.62Å; W185-A211 HydrophobicContact CG-CB 4.41Å; A211-Q213 PolarHBondContact O-N 3.07Å; A211-T214 CarbonylContact O-C 3.56Å; A211-T214 PolarHBondContact O-N 2.86Å
212	E	98.4	Very high	98.9	Very high	51 Å²	51	7.4 Å²	7.4	24%	0.238	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.9	-179.3	54.7	-90.2	-144.1	0	0	112.5	F54 K209 M241	F54-E212 HydrophobicContact CE2-CB 4.03Å; F54-E212 VanDerWaalsContact CE2-O 3.26Å; F54-E212 WeakPolarHBondContact CE2-O 3.33Å; F54-E212 HydrophobicContact CZ-CB 4.37Å; K209-E212 IonicContact NZ-OE2 3.34Å; K209-E212 PolarHBondContact NZ-OE2 3.34Å; E212-M241 HydrophobicContact CB-CE 4.43Å; E212-M241 HydrophobicContact CB-SD 3.68Å; E212-M241 HydrophobicContact CG-SD 3.76Å
213	Q	98.8	Very high	98.9	Very high	35 Å²	35	7.6 Å²	7.6	16%	0.164	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.8	176.2	-62.9	82.5	-3.5	0	0	113.5	T56 W185 A211 V362 D363	T56-Q213 PolarHBondContact OG1-O 3.1Å; W185-Q213 HydrophobicContact CB-CB 3.88Å; W185-Q213 VanDerWaalsContact CD1-OE1 3.29Å; W185-Q213 HydrophobicContact CG-CB 4.25Å; W185-Q213 HydrophobicContact CG-CG 4.37Å; A211-Q213 PolarHBondContact O-N 3.07Å; Q213-V362 HydrophobicContact CB-CG2 3.8Å; Q213-V362 HydrophobicContact CG-CG1 4.43Å; Q213-V362 HydrophobicContact CG-CG2 4.28Å; Q213-D363 HydrophobicContact CG-CB 4.38Å; Q213-D363 VanDerWaalsContact CG-OD2 3.31Å; Q213-D363 WeakPolarHBondContact CG-OD2 3.25Å; Q213-D363 PolarHBondContact NE2-OD2 2.81Å; Q213-D363 VanDerWaalsContact NE2-OD2 3.17Å
214	T	98.8	Very high	98.9	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.012	4%	0.037	C	C	.	.	S	Bend	trans	-143.4	57.5	-168.6	59.6	0	0	0	0	113	D126 N127 W185 P188 A211 V362	D126-T214 WeakPolarHBondContact OD2-CA 3.45Å; N127-T214 HydrophobicContact CB-CG2 3.93Å; W185-T214 VanDerWaalsContact CA-OG1 3.25Å; W185-T214 WeakPolarHBondContact CA-OG1 3.44Å; W185-T214 HydrophobicContact CB-CG2 3.9Å; W185-T214 WeakPolarHBondContact CB-OG1 3.23Å; P188-T214 HydrophobicContact CG-CG2 3.94Å; P188-T214 WeakPolarHBondContact CG-OG1 3.35Å; A211-T214 CarbonylContact O-C 3.56Å; A211-T214 PolarHBondContact O-N 2.86Å; T214-V362 HydrophobicContact CG2-CG2 4.04Å
215	P	98.9	Very high	98.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.			trans	-78.4	-24	-175.3	31.3	-35	0	0	0	113.5	F54 V68 D126 V210 T217 A218 L219 P239	F54-P215 HydrophobicContact CE2-CG 4.43Å; F54-P215 HydrophobicContact CZ-CG 4.41Å; V68-P215 HydrophobicContact CB-CG 4.46Å; V68-P215 HydrophobicContact CG1-CB 4.3Å; V68-P215 HydrophobicContact CG1-CG 4.19Å; V68-P215 HydrophobicContact CG2-CG 3.89Å; D126-P215 WeakPolarHBondContact OD2-CD 3.38Å; V210-P215 HydrophobicContact CG2-CB 3.85Å; P215-T217 PolarHBondContact O-N 2.75Å; P215-A218 PolarHBondContact O-N 3.06Å; P215-L219 HydrophobicContact CB-CD1 4.47Å; P215-L219 WeakPolarHBondContact O-CG 3.37Å; P215-L219 PolarHBondContact O-N 3.25Å; P215-P239 HydrophobicContact CB-CB 3.95Å
216	L	98.9	Very high	98.9	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-70.6	-43.5	-154.7	-60.5	-177.5	0	0	0	114.1	V34 T56 I65 V68 L122 D126 A218 L219 Y220	V34-L216 HydrophobicContact CG1-CD1 4.24Å; V34-L216 HydrophobicContact CG1-CD2 3.89Å; V34-L216 HydrophobicContact CG2-CD1 3.87Å; T56-L216 HydrophobicContact CG2-CD1 3.8Å; T56-L216 HydrophobicContact CG2-CD2 4.08Å; T56-L216 HydrophobicContact CG2-CG 3.97Å; I65-L216 HydrophobicContact CD1-CD1 4.46Å; I65-L216 HydrophobicContact CG2-CD1 3.92Å; V68-L216 HydrophobicContact CG2-CD2 3.88Å; L122-L216 HydrophobicContact CD1-CB 3.99Å; L122-L216 HydrophobicContact CD1-CD1 3.96Å; L122-L216 HydrophobicContact CD2-CB 4.01Å; L122-L216 HydrophobicContact CG-CB 4.05Å; D126-L216 HydrophobicContact CB-CD1 4.35Å; D126-L216 WeakPolarHBondContact OD2-CB 3.3Å; D126-L216 VanDerWaalsContact OD2-CG 3.28Å; D126-L216 WeakPolarHBondContact OD2-CG 3.29Å; D126-L216 PolarHBondContact OD2-N 2.81Å; L216-A218 PolarHBondContact O-N 3.25Å; L216-L219 PolarHBondContact O-N 2.87Å; L216-Y220 PolarHBondContact O-N 3.28Å
217	T	98.9	Very high	98.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-67.5	-38	-178.6	51	0	0	0	0	112.4	L122 E123 L189 P215 L219 Y220 V221	L122-T217 HydrophobicContact CB-CG2 3.82Å; L122-T217 HydrophobicContact CD2-CG2 3.89Å; L122-T217 HydrophobicContact CG-CG2 3.68Å; E123-T217 HydrophobicContact CB-CG2 3.94Å; E123-T217 VanDerWaalsContact N-CG2 3.31Å; E123-T217 VanDerWaalsContact OE2-CB 3.27Å; E123-T217 WeakPolarHBondContact OE2-CB 3.37Å; E123-T217 WeakPolarHBondContact OE2-CG2 3.38Å; E123-T217 PolarHBondContact OE2-OG1 3.14Å; L189-T217 HydrophobicContact CD1-CG2 4.32Å; L189-T217 HydrophobicContact CG-CG2 4.47Å; P215-T217 PolarHBondContact O-N 2.75Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.26Å; T217-Y220 PolarHBondContact O-N 3.01Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 3.44Å
218	A	98.9	Very high	98.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-34	176	0	0	0	0	0	112.5	Q192 V210 P215 L216 V221 A222	Q192-A218 PolarHBondContact NE2-O 2.83Å; V210-A218 HydrophobicContact CB-CB 4.3Å; V210-A218 HydrophobicContact CG1-CB 3.52Å; P215-A218 PolarHBondContact O-N 3.06Å; L216-A218 PolarHBondContact O-N 3.25Å; A218-V221 PolarHBondContact O-N 3.04Å; A218-A222 PolarHBondContact O-N 2.8Å
219	L	98.9	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.5	-39.8	172.7	-62.1	177.1	0	0	0	111.6	F36 W45 V68 P215 L216 T217 V221 A222 S223 I237 P239	F36-L219 HydrophobicContact CB-CB 4.05Å; W45-L219 HydrophobicContact CH2-CB 4Å; W45-L219 HydrophobicContact CH2-CD2 4.49Å; W45-L219 VanDerWaalsContact CH2-O 3.26Å; W45-L219 WeakPolarHBondContact CH2-O 3.5Å; W45-L219 HydrophobicContact CZ3-CB 4.28Å; W45-L219 HydrophobicContact CZ3-CD2 4.12Å; V68-L219 HydrophobicContact CG1-CD1 4.19Å; P215-L219 HydrophobicContact CB-CD1 4.47Å; P215-L219 WeakPolarHBondContact O-CG 3.37Å; P215-L219 PolarHBondContact O-N 3.25Å; L216-L219 PolarHBondContact O-N 2.87Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.26Å; L219-V221 VanDerWaalsContact C-N 3.33Å; L219-V221 PolarHBondContact O-N 3.46Å; L219-A222 WeakPolarHBondContact O-CA 3.34Å; L219-A222 WeakPolarHBondContact O-CB 3.5Å; L219-A222 PolarHBondContact O-N 3.07Å; L219-S223 PolarHBondContact O-N 3.42Å; L219-I237 HydrophobicContact CD2-CB 4.45Å; L219-I237 HydrophobicContact CD2-CG2 3.98Å; L219-P239 HydrophobicContact CD1-CG 4.21Å; L219-P239 HydrophobicContact CD2-CG 4.24Å
220	Y	98.9	Very high	98.8	Very high	30 Å²	30	20.2 Å²	20.2	12%	0.118	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-41.8	172.8	-170.7	-87.9	0	0	0	112	F36 D115 Y118 L119 L216 T217 A222 S223 L224	F36-Y220 AromaticContact CD2-CD2 3.74Å; F36-Y220 HydrophobicContact CD2-CD2 3.74Å; F36-Y220 HydrophobicContact CD2-CG 4.36Å; F36-Y220 AromaticContact CE2-CD2 3.65Å; F36-Y220 HydrophobicContact CE2-CD2 3.65Å; F36-Y220 HydrophobicContact CE2-CE2 4.04Å; F36-Y220 HydrophobicContact CE2-CG 4.44Å; D115-Y220 HydrophobicContact CB-CE1 3.95Å; D115-Y220 WeakPolarHBondContact OD2-CE1 3.44Å; D115-Y220 PolarHBondContact OD2-OH 3.1Å; Y118-Y220 HydrophobicContact CD1-CD1 4.31Å; Y118-Y220 HydrophobicContact CD1-CD2 4.14Å; Y118-Y220 HydrophobicContact CD1-CE1 4Å; Y118-Y220 AromaticContact CD1-CE2 3.81Å; Y118-Y220 HydrophobicContact CD1-CE2 3.81Å; Y118-Y220 HydrophobicContact CD1-CG 4.36Å; Y118-Y220 AromaticContact CD1-CZ 3.74Å; Y118-Y220 HydrophobicContact CE1-CD1 4.06Å; Y118-Y220 AromaticContact CE1-CD2 3.26Å; Y118-Y220 HydrophobicContact CE1-CD2 3.26Å; Y118-Y220 HydrophobicContact CE1-CE1 4.07Å; Y118-Y220 AromaticContact CE1-CE2 3.27Å; Y118-Y220 HydrophobicContact CE1-CE2 3.27Å; Y118-Y220 AromaticContact CE1-CG 3.66Å; Y118-Y220 HydrophobicContact CE1-CG 3.66Å; Y118-Y220 AromaticContact CE1-CZ 3.7Å; Y118-Y220 AromaticContact CZ-CD2 3.88Å; Y118-Y220 AromaticContact CZ-CE2 3.89Å; L119-Y220 HydrophobicContact CD2-CD1 3.56Å; L119-Y220 HydrophobicContact CD2-CE1 4.3Å; L119-Y220 HydrophobicContact CD2-CG 4.17Å; L119-Y220 HydrophobicContact CG-CD1 4.04Å; L119-Y220 HydrophobicContact CG-CE1 4.3Å; L216-Y220 PolarHBondContact O-N 3.28Å; T217-Y220 PolarHBondContact O-N 3.01Å; Y220-A222 PolarHBondContact O-N 2.93Å; Y220-S223 PolarHBondContact O-N 2.9Å; Y220-S223 PolarHBondContact O-OG 3.05Å; Y220-L224 HydrophobicContact CD1-CD1 4.19Å; Y220-L224 HydrophobicContact CD1-CG 4.26Å; Y220-L224 HydrophobicContact CE1-CD1 3.99Å; Y220-L224 HydrophobicContact CE1-CD2 4Å; Y220-L224 HydrophobicContact CE1-CG 4.06Å; Y220-L224 PolarHBondContact O-N 3.08Å
221	V	98.9	Very high	98.8	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.036	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-30.6	173.4	173.4	0	0	0	0	111.9	L108 V112 L119 L189 Q192 T217 A218 L219 S223 L224 I225	L108-V221 HydrophobicContact CD1-CG1 4.46Å; V112-V221 HydrophobicContact CG2-CG2 4.46Å; L119-V221 HydrophobicContact CD2-CG2 4.37Å; L189-V221 HydrophobicContact CD2-CG2 3.49Å; L189-V221 VanDerWaalsContact CD2-CG2 3.49Å; Q192-V221 VanDerWaalsContact OE1-CB 3.26Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 3.44Å; A218-V221 PolarHBondContact O-N 3.04Å; L219-V221 VanDerWaalsContact C-N 3.33Å; L219-V221 PolarHBondContact O-N 3.46Å; V221-S223 VanDerWaalsContact C-N 3.31Å; V221-S223 PolarHBondContact O-N 2.99Å; V221-L224 WeakPolarHBondContact O-CB 3.47Å; V221-L224 PolarHBondContact O-N 2.82Å; V221-L224 VanDerWaalsContact O-N 3.13Å; V221-I225 HydrophobicContact CG1-CD1 4.19Å; V221-I225 HydrophobicContact CG1-CG1 4.38Å; V221-I225 WeakPolarHBondContact O-CG1 3.39Å; V221-I225 PolarHBondContact O-N 2.83Å
222	A	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-37.8	173.9	0	0	0	0	0	112.7	F40 W45 A218 L219 Y220 L224 I225 K226 I237	F40-A222 HydrophobicContact CB-CB 4.03Å; F40-A222 HydrophobicContact CD1-CB 3.77Å; F40-A222 HydrophobicContact CD2-CB 3.78Å; F40-A222 HydrophobicContact CE1-CB 4.07Å; F40-A222 HydrophobicContact CE2-CB 4.07Å; F40-A222 WeakPolarHBondContact CE2-O 3.29Å; F40-A222 HydrophobicContact CG-CB 3.59Å; F40-A222 HydrophobicContact CZ-CB 4.18Å; F40-A222 WeakPolarHBondContact CZ-O 3.45Å; W45-A222 HydrophobicContact CH2-CB 3.97Å; W45-A222 HydrophobicContact CZ2-CB 4.41Å; A218-A222 PolarHBondContact O-N 2.8Å; L219-A222 WeakPolarHBondContact O-CA 3.34Å; L219-A222 WeakPolarHBondContact O-CB 3.5Å; L219-A222 PolarHBondContact O-N 3.07Å; Y220-A222 PolarHBondContact O-N 2.93Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 3.02Å; A222-I225 WeakPolarHBondContact O-CB 3.31Å; A222-I225 PolarHBondContact O-N 3.42Å; A222-K226 PolarHBondContact O-N 3.22Å; A222-K226 VanDerWaalsContact O-N 3.15Å; A222-I237 HydrophobicContact CB-CD1 3.81Å; A222-I237 HydrophobicContact CB-CG1 4.34Å
223	S	98.9	Very high	98.9	Very high	19 Å²	19	25.1 Å²	25.1	13%	0.133	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-36.6	174.4	72.9	0	0	0	0	111.7	F36 L219 Y220 V221 K226 E227	F36-S223 VanDerWaalsContact CE2-CB 3.43Å; F36-S223 WeakPolarHBondContact CE2-OG 3.46Å; L219-S223 PolarHBondContact O-N 3.42Å; Y220-S223 PolarHBondContact O-N 2.9Å; Y220-S223 PolarHBondContact O-OG 3.05Å; V221-S223 VanDerWaalsContact C-N 3.31Å; V221-S223 PolarHBondContact O-N 2.99Å; S223-K226 WeakPolarHBondContact O-CB 3.49Å; S223-K226 PolarHBondContact O-N 2.94Å; S223-E227 WeakPolarHBondContact O-CB 3.38Å; S223-E227 PolarHBondContact O-N 3.39Å
224	L	98.9	Very high	98.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-37.7	175.4	-55.7	-177	0	0	0	111.8	L108 A111 V112 D115 Y220 V221 A222 K226 E227 V228	L108-L224 HydrophobicContact CD1-CB 3.9Å; A111-L224 HydrophobicContact CB-CB 4.29Å; A111-L224 HydrophobicContact CB-CD1 4.34Å; A111-L224 HydrophobicContact CB-CD2 4.36Å; V112-L224 HydrophobicContact CG2-CD1 3.85Å; D115-L224 WeakPolarHBondContact OD2-CD2 3.29Å; Y220-L224 HydrophobicContact CD1-CD1 4.19Å; Y220-L224 HydrophobicContact CD1-CG 4.26Å; Y220-L224 HydrophobicContact CE1-CD1 3.99Å; Y220-L224 HydrophobicContact CE1-CD2 4Å; Y220-L224 HydrophobicContact CE1-CG 4.06Å; Y220-L224 PolarHBondContact O-N 3.08Å; V221-L224 WeakPolarHBondContact O-CB 3.47Å; V221-L224 PolarHBondContact O-N 2.82Å; V221-L224 VanDerWaalsContact O-N 3.13Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 3.02Å; L224-K226 VanDerWaalsContact C-N 3.3Å; L224-K226 PolarHBondContact O-N 3.43Å; L224-E227 WeakPolarHBondContact CD2-OE2 3.25Å; L224-E227 WeakPolarHBondContact O-CB 3.35Å; L224-E227 PolarHBondContact O-N 3.31Å; L224-E227 VanDerWaalsContact O-N 3.17Å; L224-V228 WeakPolarHBondContact O-CG1 3.37Å; L224-V228 WeakPolarHBondContact O-CG2 3.45Å; L224-V228 PolarHBondContact O-N 2.86Å
225	I	98.9	Very high	98.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-44	173.7	-71.4	169.2	0	0	0	110.8	L108 L196 V221 A222 G229 F230 V235	L108-I225 HydrophobicContact CD1-CG1 3.77Å; L108-I225 HydrophobicContact CD2-CG1 3.89Å; L196-I225 HydrophobicContact CD1-CD1 3.85Å; V221-I225 HydrophobicContact CG1-CD1 4.19Å; V221-I225 HydrophobicContact CG1-CG1 4.38Å; V221-I225 WeakPolarHBondContact O-CG1 3.39Å; V221-I225 PolarHBondContact O-N 2.83Å; A222-I225 WeakPolarHBondContact O-CB 3.31Å; A222-I225 PolarHBondContact O-N 3.42Å; I225-G229 PolarHBondContact O-N 3.29Å; I225-F230 HydrophobicContact CB-CD2 4.41Å; I225-F230 HydrophobicContact CG2-CB 3.71Å; I225-F230 HydrophobicContact CG2-CD2 3.78Å; I225-F230 HydrophobicContact CG2-CG 3.89Å; I225-F230 PolarHBondContact O-N 2.78Å; I225-V235 HydrophobicContact CD1-CB 4.25Å; I225-V235 HydrophobicContact CD1-CG1 3.9Å; I225-V235 HydrophobicContact CD1-CG2 4.26Å; I225-V235 HydrophobicContact CG2-CB 4.17Å; I225-V235 HydrophobicContact CG2-CG2 4.2Å
226	K	98.8	Very high	98.9	Very high	102 Å²	102	23.4 Å²	23.4	44%	0.443	13%	0.125	S	C	.	.	H	α-helix	trans	-63.1	-48	172.7	176.9	179	-172.3	162.2	0	111.6	F40 N43 A222 S223 L224 V228 G229	F40-K226 HydrophobicContact CE2-CB 4.38Å; F40-K226 HydrophobicContact CZ-CB 4.12Å; N43-K226 HydrophobicContact CB-CB 4.33Å; N43-K226 HydrophobicContact CB-CD 4.12Å; N43-K226 HydrophobicContact CB-CG 4.05Å; N43-K226 WeakPolarHBondContact O-CD 3.15Å; N43-K226 WeakPolarHBondContact O-CE 3.33Å; N43-K226 PolarHBondContact O-NZ 2.91Å; A222-K226 PolarHBondContact O-N 3.22Å; A222-K226 VanDerWaalsContact O-N 3.15Å; S223-K226 WeakPolarHBondContact O-CB 3.49Å; S223-K226 PolarHBondContact O-N 2.94Å; L224-K226 VanDerWaalsContact C-N 3.3Å; L224-K226 PolarHBondContact O-N 3.43Å; K226-V228 VanDerWaalsContact C-N 3.31Å; K226-V228 PolarHBondContact O-N 2.77Å; K226-G229 PolarHBondContact O-N 2.96Å; K226-G229 VanDerWaalsContact O-N 3.17Å
227	E	98.8	Very high	98.9	Very high	107 Å²	107	23.3 Å²	23.3	50%	0.5	12%	0.124	S	C	.	.	H	α-helix	trans	-55.6	-44.8	-177.4	-169.8	-165.2	141.9	0	0	112	R114 S223 L224 G229	R114-E227 IonicContact CZ-OE1 2.64Å; R114-E227 IonicContact CZ-OE2 3.81Å; R114-E227 IonicContact NH1-OE1 3.43Å; R114-E227 PolarHBondContact NH1-OE1 2.89Å; R114-E227 IonicContact NH1-OE2 2.8Å; R114-E227 IonicContact NH2-OE1 2.64Å; R114-E227 PolarHBondContact NH2-OE1 3.2Å; R114-E227 IonicContact NH2-OE2 3.5Å; R114-E227 PolarHBondContact NH2-OE2 3.03Å; S223-E227 WeakPolarHBondContact O-CB 3.38Å; S223-E227 PolarHBondContact O-N 3.39Å; L224-E227 WeakPolarHBondContact CD2-OE2 3.25Å; L224-E227 WeakPolarHBondContact O-CB 3.35Å; L224-E227 PolarHBondContact O-N 3.31Å; L224-E227 VanDerWaalsContact O-N 3.17Å; E227-G229 VanDerWaalsContact C-N 3.27Å; E227-G229 PolarHBondContact O-N 2.9Å
228	V	98.8	Very high	98.9	Very high	18 Å²	18	23.3 Å²	23.3	11%	0.109	12%	0.124	C	C	.	.	H	α-helix	trans	-80.4	-7.4	-176.1	-56.2	0	0	0	0	113.9	L104 K107 L108 A111 L224 K226 F230	L104-V228 VanDerWaalsContact CD2-O 3.25Å; L104-V228 WeakPolarHBondContact CD2-O 3.16Å; K107-V228 HydrophobicContact CB-CB 3.88Å; K107-V228 HydrophobicContact CB-CG1 4Å; L108-V228 HydrophobicContact CB-CG2 4.23Å; A111-V228 HydrophobicContact CB-CG1 3.92Å; L224-V228 WeakPolarHBondContact O-CG1 3.37Å; L224-V228 WeakPolarHBondContact O-CG2 3.45Å; L224-V228 PolarHBondContact O-N 2.86Å; K226-V228 VanDerWaalsContact C-N 3.31Å; K226-V228 PolarHBondContact O-N 2.77Å; V228-F230 HydrophobicContact CG2-CD2 3.61Å; V228-F230 HydrophobicContact CG2-CE2 3.69Å
229	G	98.7	Very high	98.9	Very high	44 Å²	44	23.2 Å²	23.2	45%	0.454	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	29.6	167.9	0	0	0	0	0	115.8	I225 K226 E227	I225-G229 PolarHBondContact O-N 3.29Å; K226-G229 PolarHBondContact O-N 2.96Å; K226-G229 VanDerWaalsContact O-N 3.17Å; E227-G229 VanDerWaalsContact C-N 3.27Å; E227-G229 PolarHBondContact O-N 2.9Å
230	F	98.9	Very high	98.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-62.2	136	166.8	-79.1	-92.4	0	0	0	110.2	N43 W93 L104 L105 L108 L200 I225 V228 V234	N43-F230 PolarHBondContact ND2-O 2.85Å; W93-F230 HydrophobicContact CH2-CD1 4.08Å; W93-F230 AromaticContact CH2-CE1 3.91Å; W93-F230 HydrophobicContact CH2-CE1 3.91Å; W93-F230 HydrophobicContact CZ3-CD1 4.04Å; W93-F230 HydrophobicContact CZ3-CE1 4.21Å; L104-F230 HydrophobicContact CB-CD1 4.45Å; L104-F230 HydrophobicContact CB-CD2 4.34Å; L104-F230 HydrophobicContact CB-CE1 3.91Å; L104-F230 HydrophobicContact CB-CE2 3.79Å; L104-F230 HydrophobicContact CB-CZ 3.55Å; L104-F230 HydrophobicContact CD1-CD1 4.07Å; L104-F230 HydrophobicContact CD1-CE1 4.21Å; L104-F230 HydrophobicContact CD1-CG 4.33Å; L105-F230 HydrophobicContact CD2-CZ 4.27Å; L105-F230 HydrophobicContact CG-CZ 4.34Å; L108-F230 HydrophobicContact CB-CE2 4.25Å; L108-F230 HydrophobicContact CD2-CE2 4.29Å; L200-F230 HydrophobicContact CB-CE1 4.43Å; L200-F230 HydrophobicContact CD1-CE1 3.81Å; L200-F230 HydrophobicContact CD1-CZ 4.03Å; L200-F230 HydrophobicContact CD2-CE1 4.32Å; L200-F230 HydrophobicContact CG-CE1 4.42Å; I225-F230 HydrophobicContact CB-CD2 4.41Å; I225-F230 HydrophobicContact CG2-CB 3.71Å; I225-F230 HydrophobicContact CG2-CD2 3.78Å; I225-F230 HydrophobicContact CG2-CG 3.89Å; I225-F230 PolarHBondContact O-N 2.78Å; V228-F230 HydrophobicContact CG2-CD2 3.61Å; V228-F230 HydrophobicContact CG2-CE2 3.69Å; F230-V234 HydrophobicContact CD1-CG1 4.19Å
231	P	98.9	Very high	98.7	Very high	27 Å²	27	24.5 Å²	24.5	18%	0.175	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-58.4	148.7	177.5	-23.2	32.1	0	0	0	112.6	P92 W93 M96 G233 V234	P92-P231 HydrophobicContact CB-CG 4.45Å; W93-P231 HydrophobicContact CB-CG 4.43Å; W93-P231 HydrophobicContact CE3-CG 4.12Å; M96-P231 HydrophobicContact CE-CG 3.96Å; P231-G233 PolarHBondContact O-N 2.78Å; P231-V234 HydrophobicContact CB-CG2 3.83Å; P231-V234 HydrophobicContact CG-CG2 4.17Å; P231-V234 WeakPolarHBondContact O-CB 3.41Å; P231-V234 VanDerWaalsContact O-CG2 3.31Å; P231-V234 WeakPolarHBondContact O-CG2 3.24Å; P231-V234 PolarHBondContact O-N 2.87Å
232	E	98.8	Very high	98.7	Very high	132 Å²	132	25.6 Å²	25.6	62%	0.617	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	134.7	177.4	-61.1	170.3	-161.1	0	0	111.1	N42 N43 A86 V234	N42-E232 HydrophobicContact CB-CB 4.3Å; N43-E232 HydrophobicContact CB-CG 4.25Å; A86-E232 WeakPolarHBondContact CB-O 3.17Å; E232-V234 PolarHBondContact O-N 2.65Å
233	G	98.8	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-9.1	176.8	0	0	0	0	0	114.1	N42 A83 P231 V235 N236	N42-G233 WeakPolarHBondContact OD1-CA 3.26Å; N42-G233 PolarHBondContact OD1-N 2.87Å; A83-G233 VanDerWaalsContact CA-O 3.28Å; A83-G233 WeakPolarHBondContact CA-O 3.34Å; P231-G233 PolarHBondContact O-N 2.78Å; G233-V235 VanDerWaalsContact C-N 3.33Å; G233-V235 PolarHBondContact O-N 3.08Å; G233-N236 PolarHBondContact O-ND2 2.83Å
234	V	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-64.4	-39.1	177	173.6	0	0	0	0	111.6	A86 W93 L200 T205 V206 F230 P231 E232	A86-V234 HydrophobicContact CB-CG2 4.14Å; W93-V234 HydrophobicContact CB-CG2 3.78Å; W93-V234 HydrophobicContact CD2-CB 4.47Å; W93-V234 HydrophobicContact CD2-CG1 3.88Å; W93-V234 HydrophobicContact CD2-CG2 3.66Å; W93-V234 HydrophobicContact CE3-CG1 4.24Å; W93-V234 HydrophobicContact CE3-CG2 4.04Å; W93-V234 HydrophobicContact CG-CG1 4.4Å; W93-V234 HydrophobicContact CG-CG2 3.53Å; W93-V234 HydrophobicContact CH2-CG1 4.16Å; W93-V234 HydrophobicContact CZ2-CG1 3.77Å; W93-V234 HydrophobicContact CZ3-CG1 4.37Å; L200-V234 HydrophobicContact CD2-CG1 3.61Å; T205-V234 CarbonylContact C-O 3.42Å; T205-V234 WeakPolarHBondContact CA-O 3.19Å; V206-V234 PolarHBondContact N-O 3.26Å; F230-V234 HydrophobicContact CD1-CG1 4.19Å; P231-V234 HydrophobicContact CB-CG2 3.83Å; P231-V234 HydrophobicContact CG-CG2 4.17Å; P231-V234 WeakPolarHBondContact O-CB 3.41Å; P231-V234 VanDerWaalsContact O-CG2 3.31Å; P231-V234 WeakPolarHBondContact O-CG2 3.24Å; P231-V234 PolarHBondContact O-N 2.87Å; E232-V234 PolarHBondContact O-N 2.65Å
235	V	98.9	Very high	98.6	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127	171.8	-176	0	0	0	0	109	F40 L196 L200 I225 G233 I237	F40-V235 WeakPolarHBondContact CE1-O 3.34Å; L196-V235 HydrophobicContact CD2-CG1 4.04Å; L196-V235 HydrophobicContact CD2-CG2 4.32Å; L200-V235 HydrophobicContact CD1-CG2 4.06Å; L200-V235 HydrophobicContact CD2-CG2 3.84Å; I225-V235 HydrophobicContact CD1-CB 4.25Å; I225-V235 HydrophobicContact CD1-CG1 3.9Å; I225-V235 HydrophobicContact CD1-CG2 4.26Å; I225-V235 HydrophobicContact CG2-CB 4.17Å; I225-V235 HydrophobicContact CG2-CG2 4.2Å; G233-V235 VanDerWaalsContact C-N 3.33Å; G233-V235 PolarHBondContact O-N 3.08Å; V235-I237 HydrophobicContact CG1-CD1 4.15Å; V235-I237 HydrophobicContact CG1-CG1 3.87Å
236	N	98.9	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.4	174.3	-47.7	-89.1	0	0	0	107.7	F40 N42 A79 V206 M208 G233	F40-N236 CarbonylContact O-C 3.57Å; F40-N236 WeakPolarHBondContact O-CA 3.32Å; N42-N236 PolarHBondContact N-OD1 3.07Å; A79-N236 HydrophobicContact CB-CB 3.92Å; V206-N236 PolarHBondContact O-N 3.11Å; V206-N236 PolarHBondContact O-ND2 3.49Å; M208-N236 PolarHBondContact N-O 3.37Å; G233-N236 PolarHBondContact O-ND2 2.83Å
237	I	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.2	-174.5	-50	-165.7	0	0	0	109.6	F40 Q192 M208 V210 L219 A222 V235	F40-I237 HydrophobicContact CB-CB 4.22Å; F40-I237 PolarHBondContact N-O 2.81Å; F40-I237 PolarHBondContact O-N 2.8Å; Q192-I237 VanDerWaalsContact NE2-CD1 3.33Å; M208-I237 HydrophobicContact CB-CG1 4.44Å; M208-I237 CarbonylContact O-C 3.42Å; M208-I237 WeakPolarHBondContact O-CA 3.31Å; V210-I237 HydrophobicContact CG1-CG2 3.58Å; L219-I237 HydrophobicContact CD2-CB 4.45Å; L219-I237 HydrophobicContact CD2-CG2 3.98Å; A222-I237 HydrophobicContact CB-CD1 3.81Å; A222-I237 HydrophobicContact CB-CG1 4.34Å; V235-I237 HydrophobicContact CG1-CD1 4.15Å; V235-I237 HydrophobicContact CG1-CG1 3.87Å
238	L	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	103	-172.7	-59	-178.6	0	0	0	109.9	L39 I41 A71 V76 A79 V207 M208 K209 V210	L39-L238 HydrophobicContact CB-CD2 4.18Å; L39-L238 HydrophobicContact CD1-CD2 4.33Å; L39-L238 HydrophobicContact CD2-CD2 4.39Å; I41-L238 HydrophobicContact CD1-CD2 3.96Å; I41-L238 HydrophobicContact CG1-CD2 4.03Å; A71-L238 HydrophobicContact CB-CB 3.91Å; A71-L238 HydrophobicContact CB-CD2 4.46Å; V76-L238 HydrophobicContact CB-CD1 4.29Å; V76-L238 HydrophobicContact CG2-CD1 3.69Å; A79-L238 HydrophobicContact CB-CD1 3.81Å; A79-L238 HydrophobicContact CB-CD2 4.21Å; A79-L238 HydrophobicContact CB-CG 4.28Å; V207-L238 HydrophobicContact CG1-CD1 3.81Å; V207-L238 HydrophobicContact CG1-CG 4.48Å; M208-L238 PolarHBondContact O-N 3.38Å; K209-L238 WeakPolarHBondContact CA-O 3.38Å; V210-L238 PolarHBondContact N-O 3.38Å
239	P	98.7	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.5	162.3	28.4	-31.1	0	0	0	109.4	L39 F54 V68 A69 A71 V210 P215 L219	L39-P239 HydrophobicContact CD2-CG 3.86Å; F54-P239 HydrophobicContact CE1-CB 4.17Å; F54-P239 HydrophobicContact CZ-CB 4.04Å; V68-P239 HydrophobicContact CG1-CB 3.53Å; V68-P239 HydrophobicContact CG1-CG 3.59Å; A69-P239 WeakPolarHBondContact O-CG 3.23Å; A71-P239 WeakPolarHBondContact CB-O 3.41Å; A71-P239 PolarHBondContact N-O 2.94Å; V210-P239 HydrophobicContact CG2-CB 3.97Å; P215-P239 HydrophobicContact CB-CB 3.95Å; L219-P239 HydrophobicContact CD1-CG 4.21Å; L219-P239 HydrophobicContact CD2-CG 4.24Å
240	G	96.4	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	175	-178.7	-178.5	0	0	0	0	0	111.5	K209	K209-G240 WeakPolarHBondContact CE-O 3.22Å; K209-G240 PolarHBondContact NZ-O 2.87Å
241	M	98.4	Very high	98.6	Very high	57 Å²	57	24.2 Å²	24.2	28%	0.281	15%	0.152	S	C	.	.			trans	-84.7	154.1	-178.5	-56.3	-61.4	174.8	0	0	111.8	F54 E212 T244 A245 G246	F54-M241 HydrophobicContact CB-CE 3.67Å; F54-M241 HydrophobicContact CD1-CE 4.3Å; F54-M241 HydrophobicContact CD2-CE 4.1Å; F54-M241 HydrophobicContact CG-CE 3.76Å; E212-M241 HydrophobicContact CB-CE 4.43Å; E212-M241 HydrophobicContact CB-SD 3.68Å; E212-M241 HydrophobicContact CG-SD 3.76Å; M241-T244 WeakPolarHBondContact CB-OG1 3.5Å; M241-T244 PolarHBondContact O-N 3.49Å; M241-T244 PolarHBondContact O-OG1 2.99Å; M241-A245 PolarHBondContact O-N 2.99Å; M241-A245 VanDerWaalsContact O-N 3.13Å; M241-G246 PolarHBondContact O-N 2.93Å
242	G	97.9	Very high	98.6	Very high	29 Å²	29	24.2 Å²	24.2	30%	0.299	15%	0.15	S	C	.	.	I	π-helix	trans	-56.2	-54.8	174.7	0	0	0	0	0	113.6	T244 G246 A247	G242-T244 PolarHBondContact O-N 3.06Å; G242-G246 CarbonylContact O-C 3.53Å; G242-G246 VanDerWaalsContact O-CA 3.23Å; G242-G246 WeakPolarHBondContact O-CA 3.44Å; G242-G246 PolarHBondContact O-N 3.26Å; G242-A247 PolarHBondContact O-N 3.3Å
243	P	98.2	Very high	98.6	Very high	113 Å²	113	23.4 Å²	23.4	73%	0.734	15%	0.147	S	C	*	.	I	π-helix	trans	-65.6	-17.7	-178	-25.5	36	0	0	0	115.9	A247	P243-A247 VanDerWaalsContact O-CB 3.26Å; P243-A247 WeakPolarHBondContact O-CB 3.44Å
244	T	98.4	Very high	98.6	Very high	40 Å²	40	28 Å²	28	25%	0.245	17%	0.172	C	C	.	.	I	π-helix	trans	-102	-80.1	179.7	54.6	0	0	0	0	110.6	D72 M241 G242 G246 A248	D72-T244 WeakPolarHBondContact OD1-CB 3.28Å; M241-T244 WeakPolarHBondContact CB-OG1 3.5Å; M241-T244 PolarHBondContact O-N 3.49Å; M241-T244 PolarHBondContact O-OG1 2.99Å; G242-T244 PolarHBondContact O-N 3.06Å; T244-G246 PolarHBondContact O-N 3.18Å; T244-A248 WeakPolarHBondContact O-CB 3.23Å; T244-A248 PolarHBondContact O-N 3.28Å
245	A	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-63.4	-43.9	-178	0	0	0	0	0	112.5	A71 V76 K209 M241 A248 I249	A71-A245 HydrophobicContact CB-CB 4.18Å; V76-A245 HydrophobicContact CG2-CB 4.25Å; K209-A245 HydrophobicContact CG-CB 4.06Å; M241-A245 PolarHBondContact O-N 2.99Å; M241-A245 VanDerWaalsContact O-N 3.13Å; A245-A248 PolarHBondContact O-N 3.31Å; A245-I249 WeakPolarHBondContact O-CG1 3.36Å; A245-I249 PolarHBondContact O-N 2.78Å
246	G	98.7	Very high	98.6	Very high	3 Å²	3	31 Å²	31	3%	0.031	19%	0.188	C	C	.	.	I	π-helix	trans	-64	-48.5	179.6	0	0	0	0	0	112.6	M241 G242 T244 A248 I249 A250	M241-G246 PolarHBondContact O-N 2.93Å; G242-G246 CarbonylContact O-C 3.53Å; G242-G246 VanDerWaalsContact O-CA 3.23Å; G242-G246 WeakPolarHBondContact O-CA 3.44Å; G242-G246 PolarHBondContact O-N 3.26Å; T244-G246 PolarHBondContact O-N 3.18Å; G246-A248 VanDerWaalsContact C-N 3.34Å; G246-A248 PolarHBondContact O-N 3.14Å; G246-I249 PolarHBondContact O-N 2.91Å; G246-A250 PolarHBondContact O-N 3.36Å
247	A	98.8	Very high	98.6	Very high	43 Å²	43	31.1 Å²	31.1	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-65.2	-36.4	177	0	0	0	0	0	112.5	G242 P243 A250 S251	G242-A247 PolarHBondContact O-N 3.3Å; P243-A247 VanDerWaalsContact O-CB 3.26Å; P243-A247 WeakPolarHBondContact O-CB 3.44Å; A247-A250 PolarHBondContact O-N 3.09Å; A247-S251 WeakPolarHBondContact O-CB 3.15Å; A247-S251 PolarHBondContact O-N 3.04Å; A247-S251 PolarHBondContact O-OG 2.93Å
248	A	98.9	Very high	98.6	Very high	7 Å²	7	31.1 Å²	31.1	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-47.2	173.7	0	0	0	0	0	111.1	K73 V76 T244 A245 G246 A250 S251 H252	K73-A248 HydrophobicContact CB-CB 3.97Å; K73-A248 HydrophobicContact CG-CB 4.02Å; V76-A248 HydrophobicContact CB-CB 4.1Å; V76-A248 HydrophobicContact CG1-CB 4.17Å; V76-A248 HydrophobicContact CG2-CB 3.98Å; T244-A248 WeakPolarHBondContact O-CB 3.23Å; T244-A248 PolarHBondContact O-N 3.28Å; A245-A248 PolarHBondContact O-N 3.31Å; G246-A248 VanDerWaalsContact C-N 3.34Å; G246-A248 PolarHBondContact O-N 3.14Å; A248-A250 PolarHBondContact O-N 2.93Å; A248-S251 PolarHBondContact O-N 3.33Å; A248-S251 PolarHBondContact O-OG 3.41Å; A248-H252 VanDerWaalsContact O-CB 3.3Å; A248-H252 WeakPolarHBondContact O-CB 3.41Å; A248-H252 PolarHBondContact O-N 3.47Å
249	I	98.9	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-46.7	174.7	-68.7	168.1	0	0	0	111.2	V76 G180 I182 V207 K209 A245 G246 S251 H252 V258	V76-I249 HydrophobicContact CB-CG1 4.5Å; V76-I249 HydrophobicContact CG1-CG1 3.61Å; V76-I249 HydrophobicContact CG2-CG1 4.01Å; G180-I249 VanDerWaalsContact CA-CG2 3.46Å; I182-I249 HydrophobicContact CD1-CB 4.48Å; I182-I249 HydrophobicContact CD1-CG2 4.39Å; I182-I249 HydrophobicContact CG1-CG2 4.49Å; V207-I249 HydrophobicContact CG1-CD1 4.03Å; V207-I249 HydrophobicContact CG1-CG1 4.2Å; K209-I249 HydrophobicContact CB-CD1 3.64Å; A245-I249 WeakPolarHBondContact O-CG1 3.36Å; A245-I249 PolarHBondContact O-N 2.78Å; G246-I249 PolarHBondContact O-N 2.91Å; I249-S251 VanDerWaalsContact C-N 3.28Å; I249-S251 PolarHBondContact O-N 2.96Å; I249-H252 PolarHBondContact O-N 2.85Å; I249-V258 HydrophobicContact CG2-CG2 4.1Å
250	A	98.8	Very high	98.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-33	-177	0	0	0	0	0	113.4	G246 A247 A248 I270 A273 K280	G246-A250 PolarHBondContact O-N 3.36Å; A247-A250 PolarHBondContact O-N 3.09Å; A248-A250 PolarHBondContact O-N 2.93Å; A250-I270 HydrophobicContact CB-CD1 3.63Å; A250-A273 HydrophobicContact CB-CB 3.83Å; A250-K280 WeakPolarHBondContact O-CE 3.32Å; A250-K280 PolarHBondContact O-NZ 3.38Å
251	S	98.8	Very high	98.7	Very high	56 Å²	56	32.3 Å²	32.3	39%	0.392	20%	0.195	S	C	.	.	H	α-helix	trans	-98.4	-6.6	-179.2	60.8	0	0	0	0	114.5	A247 A248 I249 S277	A247-S251 WeakPolarHBondContact O-CB 3.15Å; A247-S251 PolarHBondContact O-N 3.04Å; A247-S251 PolarHBondContact O-OG 2.93Å; A248-S251 PolarHBondContact O-N 3.33Å; A248-S251 PolarHBondContact O-OG 3.41Å; I249-S251 VanDerWaalsContact C-N 3.28Å; I249-S251 PolarHBondContact O-N 2.96Å; S251-S277 VanDerWaalsContact O-CB 3.3Å; S251-S277 WeakPolarHBondContact O-CB 3.25Å
252	H	98.9	Very high	98.7	Very high	26 Å²	26	30.6 Å²	30.6	12%	0.12	19%	0.192	C	C	.	.			trans	-63.1	136.9	-177.1	-161.7	-75.9	0	0	0	111.4	D77 V80 A248 I249 D254 V255 K280	D77-H252 IonicContact OD1-CD2 3.15Å; D77-H252 PolarHBondContact OD1-CD2 3.42Å; D77-H252 VanDerWaalsContact OD1-CD2 3.24Å; D77-H252 IonicContact OD1-NE2 2.78Å; D77-H252 PolarHBondContact OD1-NE2 2.97Å; V80-H252 VanDerWaalsContact CG1-CE1 3.42Å; V80-H252 WeakPolarHBondContact CG1-CE1 3.48Å; A248-H252 VanDerWaalsContact O-CB 3.3Å; A248-H252 WeakPolarHBondContact O-CB 3.41Å; A248-H252 PolarHBondContact O-N 3.47Å; I249-H252 PolarHBondContact O-N 2.85Å; H252-D254 IonicContact CE1-OD2 3.76Å; H252-D254 PolarHBondContact ND1-N 3.31Å; H252-V255 HydrophobicContact CB-CB 4.27Å; H252-V255 HydrophobicContact CB-CG2 3.74Å; H252-K280 WeakPolarHBondContact O-CE 3.43Å; H252-K280 PolarHBondContact O-NZ 3.04Å
253	M	98.8	Very high	98.8	Very high	115 Å²	115	31.6 Å²	31.6	57%	0.567	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-27.1	-175.2	-69.1	-58.9	-65.7	0	0	113.7	N278	M253-N278 HydrophobicContact CE-CB 3.78Å; M253-N278 PolarHBondContact O-ND2 3.33Å; M253-N278 HydrophobicContact SD-CB 3.99Å
254	D	98.8	Very high	98.8	Very high	98 Å²	98	26.7 Å²	26.7	52%	0.524	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	23.8	178.4	-51.7	-39.8	0	0	0	113.5	V80 H252	V80-D254 HydrophobicContact CG1-CB 3.9Å; V80-D254 WeakPolarHBondContact CG1-O 3.3Å; H252-D254 IonicContact CE1-OD2 3.76Å; H252-D254 PolarHBondContact ND1-N 3.31Å
255	V	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.			trans	-103.7	118.6	168.4	169.3	0	0	0	0	107.7	V80 V178 H252 K257 V258 N278 K280	V80-V255 HydrophobicContact CG1-CG2 4.3Å; V80-V255 HydrophobicContact CG2-CG2 3.67Å; V178-V255 HydrophobicContact CG1-CG2 4.31Å; H252-V255 HydrophobicContact CB-CB 4.27Å; H252-V255 HydrophobicContact CB-CG2 3.74Å; V255-K257 WeakPolarHBondContact CG1-O 3.43Å; V255-V258 HydrophobicContact CG1-CG2 4.02Å; V255-N278 PolarHBondContact O-ND2 3.33Å; V255-K280 HydrophobicContact CG1-CD 4.13Å; V255-K280 WeakPolarHBondContact O-CB 3.19Å; V255-K280 WeakPolarHBondContact O-CE 3.3Å
256	D	98.9	Very high	98.8	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	20%	0.201	S	C	.	.			trans	-81.3	-27.5	-173.4	-56.3	-62.3	0	0	0	112.5	V176 G177 V178 K280 K281	V176-D256 HydrophobicContact CG2-CB 4.21Å; G177-D256 WeakPolarHBondContact CA-OD2 3.15Å; V178-D256 PolarHBondContact N-OD2 3.45Å; V178-D256 PolarHBondContact O-N 3.3Å; D256-K280 WeakPolarHBondContact O-CA 3.29Å; D256-K280 WeakPolarHBondContact O-CB 3.32Å; D256-K281 PolarHBondContact O-N 3.19Å; D256-K281 VanDerWaalsContact O-N 3.07Å
257	K	98.9	Very high	98.8	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144	-179.2	167.1	173.4	176.5	50.2	0	111.7	V176 V178 C179 G180 V255 K281 T283 A501 Y502	V176-K257 HydrophobicContact CG1-CB 3.84Å; V176-K257 HydrophobicContact CG1-CD 3.86Å; V176-K257 HydrophobicContact CG1-CG 4.48Å; V176-K257 HydrophobicContact CG2-CB 4.07Å; V178-K257 PolarHBondContact O-N 3.03Å; C179-K257 CarbonylContact C-O 3.59Å; C179-K257 WeakPolarHBondContact CA-O 3.32Å; G180-K257 PolarHBondContact N-O 3.25Å; V255-K257 WeakPolarHBondContact CG1-O 3.43Å; K257-K281 CarbonylContact C-O 3.55Å; K257-K281 VanDerWaalsContact CA-O 3.31Å; K257-K281 WeakPolarHBondContact CA-O 3.45Å; K257-K281 HydrophobicContact CB-CB 4.3Å; K257-K281 HydrophobicContact CG-CB 4.39Å; K257-T283 PolarHBondContact NZ-OG1 3.24Å; K257-A501 WeakPolarHBondContact CD-O 3.26Å; K257-A501 WeakPolarHBondContact CE-O 3.23Å; K257-Y502 HydrophobicContact CD-CD1 3.9Å; K257-Y502 HydrophobicContact CD-CE1 4Å; K257-Y502 VanDerWaalsContact CE-CE1 3.45Å
258	V	98.9	Very high	98.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.6	161	163.3	0	0	0	0	111.8	G180 I249 V255 F260 I270 K280 K281 V282 T283	G180-V258 CarbonylContact O-C 3.53Å; G180-V258 VanDerWaalsContact O-CA 3.25Å; G180-V258 WeakPolarHBondContact O-CA 3.34Å; I249-V258 HydrophobicContact CG2-CG2 4.1Å; V255-V258 HydrophobicContact CG1-CG2 4.02Å; V258-F260 HydrophobicContact CG1-CB 4.43Å; V258-I270 HydrophobicContact CG1-CG2 3.59Å; V258-K280 HydrophobicContact CB-CD 4.19Å; V258-K280 HydrophobicContact CG2-CD 3.61Å; V258-K281 PolarHBondContact N-O 3.43Å; V258-V282 WeakPolarHBondContact O-CA 3.35Å; V258-T283 PolarHBondContact O-N 3Å; V258-T283 VanDerWaalsContact O-N 3.07Å
259	A	98.9	Very high	98.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.1	164.7	0	0	0	0	0	108.5	G180 Q181 I182 K195 T283	G180-A259 PolarHBondContact O-N 3.27Å; Q181-A259 WeakPolarHBondContact CA-O 3.4Å; I182-A259 PolarHBondContact N-O 2.88Å; K195-A259 HydrophobicContact CD-CB 3.96Å; A259-T283 WeakPolarHBondContact CA-O 3.5Å
260	F	98.9	Very high	98.7	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.057	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.3	-178.1	170.1	-95	0	0	0	110.5	I182 V258 V266 I270 T283 L284 E285 L286	I182-F260 HydrophobicContact CB-CD2 3.84Å; I182-F260 HydrophobicContact CD1-CD2 4.5Å; I182-F260 HydrophobicContact CG2-CD2 3.66Å; I182-F260 HydrophobicContact CG2-CE2 3.96Å; V258-F260 HydrophobicContact CG1-CB 4.43Å; F260-V266 HydrophobicContact CD2-CG1 4.43Å; F260-V266 HydrophobicContact CE1-CB 4.23Å; F260-V266 HydrophobicContact CE1-CG1 4.17Å; F260-V266 HydrophobicContact CE2-CB 4.31Å; F260-V266 HydrophobicContact CE2-CG1 3.53Å; F260-V266 HydrophobicContact CZ-CB 3.63Å; F260-V266 HydrophobicContact CZ-CG1 3.37Å; F260-I270 HydrophobicContact CB-CG1 4.09Å; F260-I270 HydrophobicContact CB-CG2 4.16Å; F260-I270 HydrophobicContact CD1-CG1 4.29Å; F260-I270 HydrophobicContact CD2-CD1 4.19Å; F260-I270 HydrophobicContact CD2-CG1 3.85Å; F260-I270 HydrophobicContact CE2-CG1 4.41Å; F260-I270 HydrophobicContact CG-CG1 3.81Å; F260-T283 PolarHBondContact N-O 2.94Å; F260-L284 HydrophobicContact CB-CD2 3.88Å; F260-L284 HydrophobicContact CD1-CD2 4.07Å; F260-L284 HydrophobicContact CG-CD2 4.4Å; F260-L284 WeakPolarHBondContact O-CA 3.32Å; F260-E285 PolarHBondContact O-N 3.39Å; F260-L286 HydrophobicContact CD1-CD2 3.7Å; F260-L286 HydrophobicContact CE1-CD2 3.61Å
261	T	98.9	Very high	98.7	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	166.7	-57	0	0	0	0	109.5	I182 P184 M191 K195 E285	I182-T261 PolarHBondContact O-N 3.35Å; P184-T261 WeakPolarHBondContact CD-O 3.37Å; P184-T261 HydrophobicContact CG-CG2 3.83Å; M191-T261 HydrophobicContact SD-CG2 4.01Å; K195-T261 WeakPolarHBondContact CE-OG1 3.36Å; K195-T261 PolarHBondContact NZ-OG1 2.86Å; T261-E285 WeakPolarHBondContact CA-O 3.49Å; T261-E285 HydrophobicContact CG2-CB 3.89Å; T261-E285 WeakPolarHBondContact CG2-O 3.43Å; T261-E285 WeakPolarHBondContact OG1-CB 3.48Å
262	G	98.4	Very high	98.7	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	26%	0.257	C	S	.	.	S	Bend	trans	162.6	-151.6	-178.3	0	0	0	0	0	113.4	E285 L286 G287	G262-E285 PolarHBondContact N-O 2.99Å; G262-L286 VanDerWaalsContact O-CA 3.27Å; G262-L286 WeakPolarHBondContact O-CA 3.25Å; G262-G287 PolarHBondContact O-N 3.26Å
263	S	98.4	Very high	98.7	Very high	51 Å²	51	49.6 Å²	49.6	36%	0.357	26%	0.262	S	S	.	.			trans	-70.2	149	-176.5	74.3	0	0	0	0	112.2	E265 V266 G267	S263-E265 PolarHBondContact O-N 3.28Å; S263-V266 PolarHBondContact O-N 2.91Å; S263-V266 WeakPolarHBondContact OG-CG2 3.4Å; S263-V266 PolarHBondContact OG-N 3.5Å; S263-G267 PolarHBondContact O-N 3.48Å
264	T	98.4	Very high	98.7	Very high	10 Å²	10	44.2 Å²	44.2	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-35.6	175.5	-60.7	0	0	0	0	112.5	G267 H268 L286 Y442 A487	T264-G267 PolarHBondContact O-N 3.41Å; T264-H268 PolarHBondContact O-CD2 2.9Å; T264-H268 PolarHBondContact O-N 3.03Å; T264-H268 VanDerWaalsContact O-N 3.15Å; T264-L286 HydrophobicContact CG2-CD1 4.34Å; T264-Y442 WeakPolarHBondContact OG1-CE1 3.38Å; T264-A487 HydrophobicContact CG2-CB 3.99Å; T264-A487 WeakPolarHBondContact CG2-O 3.29Å; T264-A487 PolarHBondContact OG1-O 3.47Å
265	E	98.3	Very high	98.7	Very high	151 Å²	151	41.6 Å²	41.6	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-58.6	-51.3	176.2	-178.3	-178.6	173.4	0	0	111.7	S263 G267 H268 L269	S263-E265 PolarHBondContact O-N 3.28Å; E265-G267 VanDerWaalsContact C-N 3.3Å; E265-G267 PolarHBondContact O-N 3.05Å; E265-H268 WeakPolarHBondContact O-CB 3.43Å; E265-H268 PolarHBondContact O-N 2.93Å; E265-L269 PolarHBondContact O-N 3.26Å
266	V	98.6	Very high	98.7	Very high	56 Å²	56	46.9 Å²	46.9	34%	0.339	27%	0.269	S	S	.	.	H	α-helix	trans	-68.4	-33.5	178.1	177.3	0	0	0	0	110.8	F260 S263 H268 L269 I270	F260-V266 HydrophobicContact CD2-CG1 4.43Å; F260-V266 HydrophobicContact CE1-CB 4.23Å; F260-V266 HydrophobicContact CE1-CG1 4.17Å; F260-V266 HydrophobicContact CE2-CB 4.31Å; F260-V266 HydrophobicContact CE2-CG1 3.53Å; F260-V266 HydrophobicContact CZ-CB 3.63Å; F260-V266 HydrophobicContact CZ-CG1 3.37Å; S263-V266 PolarHBondContact O-N 2.91Å; S263-V266 WeakPolarHBondContact OG-CG2 3.4Å; S263-V266 PolarHBondContact OG-N 3.5Å; V266-H268 VanDerWaalsContact C-N 3.26Å; V266-H268 PolarHBondContact O-N 3.42Å; V266-L269 WeakPolarHBondContact O-CA 3.46Å; V266-L269 WeakPolarHBondContact O-CB 3.22Å; V266-L269 PolarHBondContact O-N 3.04Å; V266-I270 HydrophobicContact CG1-CG1 4.25Å; V266-I270 WeakPolarHBondContact O-CG1 3.46Å; V266-I270 PolarHBondContact O-N 3.47Å
267	G	98.7	Very high	98.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-54.2	-39.8	172.8	0	0	0	0	0	113.5	S263 T264 E265 I270 Q271	S263-G267 PolarHBondContact O-N 3.48Å; T264-G267 PolarHBondContact O-N 3.41Å; E265-G267 VanDerWaalsContact C-N 3.3Å; E265-G267 PolarHBondContact O-N 3.05Å; G267-I270 PolarHBondContact O-N 3.18Å; G267-Q271 PolarHBondContact O-N 3.21Å; G267-Q271 VanDerWaalsContact O-N 3.08Å
268	H	98.6	Very high	98.7	Very high	112 Å²	112	47.3 Å²	47.3	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-43	173.1	-73.7	-67.8	0	0	0	112.3	T264 E265 V266 I270 Q271 Q272	T264-H268 PolarHBondContact O-CD2 2.9Å; T264-H268 PolarHBondContact O-N 3.03Å; T264-H268 VanDerWaalsContact O-N 3.15Å; E265-H268 WeakPolarHBondContact O-CB 3.43Å; E265-H268 PolarHBondContact O-N 2.93Å; V266-H268 VanDerWaalsContact C-N 3.26Å; V266-H268 PolarHBondContact O-N 3.42Å; H268-I270 VanDerWaalsContact C-N 3.34Å; H268-I270 PolarHBondContact O-N 2.97Å; H268-Q271 PolarHBondContact O-N 2.83Å; H268-Q272 WeakPolarHBondContact O-CB 3.22Å; H268-Q272 VanDerWaalsContact O-CG 3.26Å; H268-Q272 WeakPolarHBondContact O-CG 3.23Å; H268-Q272 PolarHBondContact O-N 2.65Å
269	L	98.8	Very high	98.7	Very high	98 Å²	98	54 Å²	54	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-39.7	177.8	-59.5	177.7	0	0	0	111.7	E265 V266 Q272 A273	E265-L269 PolarHBondContact O-N 3.26Å; V266-L269 WeakPolarHBondContact O-CA 3.46Å; V266-L269 WeakPolarHBondContact O-CB 3.22Å; V266-L269 PolarHBondContact O-N 3.04Å; L269-Q272 PolarHBondContact O-N 3.17Å; L269-A273 WeakPolarHBondContact O-CB 3.07Å; L269-A273 PolarHBondContact O-N 2.85Å
270	I	98.8	Very high	98.7	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-48.7	175.5	-65.4	-63.9	0	0	0	110.8	I182 A250 V258 F260 V266 G267 H268 Q272 A273 A274 V282 L284	I182-I270 HydrophobicContact CD1-CD1 3.76Å; A250-I270 HydrophobicContact CB-CD1 3.63Å; V258-I270 HydrophobicContact CG1-CG2 3.59Å; F260-I270 HydrophobicContact CB-CG1 4.09Å; F260-I270 HydrophobicContact CB-CG2 4.16Å; F260-I270 HydrophobicContact CD1-CG1 4.29Å; F260-I270 HydrophobicContact CD2-CD1 4.19Å; F260-I270 HydrophobicContact CD2-CG1 3.85Å; F260-I270 HydrophobicContact CE2-CG1 4.41Å; F260-I270 HydrophobicContact CG-CG1 3.81Å; V266-I270 HydrophobicContact CG1-CG1 4.25Å; V266-I270 WeakPolarHBondContact O-CG1 3.46Å; V266-I270 PolarHBondContact O-N 3.47Å; G267-I270 PolarHBondContact O-N 3.18Å; H268-I270 VanDerWaalsContact C-N 3.34Å; H268-I270 PolarHBondContact O-N 2.97Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 2.9Å; I270-A273 PolarHBondContact O-N 2.9Å; I270-A274 WeakPolarHBondContact O-CB 3.27Å; I270-A274 PolarHBondContact O-N 3.09Å; I270-V282 HydrophobicContact CG2-CG1 4.11Å; I270-L284 HydrophobicContact CB-CD2 4.16Å; I270-L284 HydrophobicContact CG2-CD2 3.88Å
271	Q	98.8	Very high	98.6	Very high	87 Å²	87	57.5 Å²	57.5	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-40.7	179.2	-171.3	69.4	31.7	0	0	111.7	G267 H268 G275 V282 L284	G267-Q271 PolarHBondContact O-N 3.21Å; G267-Q271 VanDerWaalsContact O-N 3.08Å; H268-Q271 PolarHBondContact O-N 2.83Å; Q271-G275 PolarHBondContact O-N 2.67Å; Q271-V282 VanDerWaalsContact OE1-CG1 3.29Å; Q271-L284 HydrophobicContact CB-CD1 4.44Å
272	Q	98.8	Very high	98.6	Very high	116 Å²	116	58 Å²	58	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-47.9	175.6	-73.4	171	-6.4	0	0	111.4	H268 L269 I270 A274 G275 S276	H268-Q272 WeakPolarHBondContact O-CB 3.22Å; H268-Q272 VanDerWaalsContact O-CG 3.26Å; H268-Q272 WeakPolarHBondContact O-CG 3.23Å; H268-Q272 PolarHBondContact O-N 2.65Å; L269-Q272 PolarHBondContact O-N 3.17Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 2.9Å; Q272-A274 VanDerWaalsContact C-N 3.32Å; Q272-A274 PolarHBondContact O-N 2.78Å; Q272-G275 PolarHBondContact O-N 2.93Å; Q272-G275 VanDerWaalsContact O-N 3.14Å; Q272-S276 WeakPolarHBondContact O-CB 3.24Å; Q272-S276 PolarHBondContact O-N 2.79Å; Q272-S276 PolarHBondContact O-OG 2.9Å
273	A	98.8	Very high	98.7	Very high	26 Å²	26	57.8 Å²	57.8	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-41	178.7	0	0	0	0	0	112.2	A250 L269 I270 S276 S277	A250-A273 HydrophobicContact CB-CB 3.83Å; L269-A273 WeakPolarHBondContact O-CB 3.07Å; L269-A273 PolarHBondContact O-N 2.85Å; I270-A273 PolarHBondContact O-N 2.9Å; A273-S276 PolarHBondContact O-N 2.7Å; A273-S277 VanDerWaalsContact O-CB 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.17Å; A273-S277 PolarHBondContact O-N 2.8Å; A273-S277 VanDerWaalsContact O-N 3.11Å; A273-S277 PolarHBondContact O-OG 2.98Å
274	A	98.8	Very high	98.7	Very high	3 Å²	3	56 Å²	56	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-46.1	173.6	0	0	0	0	0	111.8	I270 Q272 S276 S277 L279 K280 V282	I270-A274 WeakPolarHBondContact O-CB 3.27Å; I270-A274 PolarHBondContact O-N 3.09Å; Q272-A274 VanDerWaalsContact C-N 3.32Å; Q272-A274 PolarHBondContact O-N 2.78Å; A274-S276 PolarHBondContact O-N 3.2Å; A274-S277 PolarHBondContact O-N 2.83Å; A274-S277 PolarHBondContact O-OG 3.46Å; A274-L279 WeakPolarHBondContact O-CA 3.23Å; A274-L279 PolarHBondContact O-N 2.74Å; A274-K280 HydrophobicContact CB-CD 4.29Å; A274-K280 HydrophobicContact CB-CG 3.62Å; A274-V282 HydrophobicContact CB-CG2 3.31Å
275	G	98.7	Very high	98.7	Very high	43 Å²	43	56 Å²	56	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-39	177.6	0	0	0	0	0	113.8	Q271 Q272 L279	Q271-G275 PolarHBondContact O-N 2.67Å; Q272-G275 PolarHBondContact O-N 2.93Å; Q272-G275 VanDerWaalsContact O-N 3.14Å; G275-L279 WeakPolarHBondContact O-CD2 3.36Å
276	S	98.6	Very high	98.7	Very high	110 Å²	110	49.2 Å²	49.2	77%	0.769	28%	0.276	S	S	*	.	H	α-helix	trans	-84.1	-8.7	-178.8	-61.5	0	0	0	0	114.5	Q272 A273 A274	Q272-S276 WeakPolarHBondContact O-CB 3.24Å; Q272-S276 PolarHBondContact O-N 2.79Å; Q272-S276 PolarHBondContact O-OG 2.9Å; A273-S276 PolarHBondContact O-N 2.7Å; A274-S276 PolarHBondContact O-N 3.2Å
277	S	98.8	Very high	98.7	Very high	30 Å²	30	46.6 Å²	46.6	21%	0.21	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-99.4	179.5	54.1	0	0	0	0	111.6	S251 A273 A274 K280	S251-S277 VanDerWaalsContact O-CB 3.3Å; S251-S277 WeakPolarHBondContact O-CB 3.25Å; A273-S277 VanDerWaalsContact O-CB 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.17Å; A273-S277 PolarHBondContact O-N 2.8Å; A273-S277 VanDerWaalsContact O-N 3.11Å; A273-S277 PolarHBondContact O-OG 2.98Å; A274-S277 PolarHBondContact O-N 2.83Å; A274-S277 PolarHBondContact O-OG 3.46Å; S277-K280 PolarHBondContact OG-NZ 3.42Å
278	N	98.6	Very high	98.7	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	11.8	-171.1	69.3	-14.8	0	0	0	113.5	M253 V255 K280	M253-N278 HydrophobicContact CE-CB 3.78Å; M253-N278 PolarHBondContact O-ND2 3.33Å; M253-N278 HydrophobicContact SD-CB 3.99Å; V255-N278 PolarHBondContact O-ND2 3.33Å; N278-K280 PolarHBondContact O-N 2.93Å; N278-K280 WeakPolarHBondContact OD1-CB 3.46Å; N278-K280 VanDerWaalsContact OD1-CE 3.24Å; N278-K280 WeakPolarHBondContact OD1-CE 3.23Å; N278-K280 WeakPolarHBondContact OD1-CG 3.49Å; N278-K280 PolarHBondContact OD1-N 3.19Å; N278-K280 VanDerWaalsContact OD1-N 3.08Å; N278-K280 PolarHBondContact OD1-NZ 2.93Å
279	L	98.7	Very high	98.7	Very high	142 Å²	142	41.4 Å²	41.4	74%	0.743	24%	0.236	S	C	*	.			trans	58.5	27.3	-176.3	-55	175.7	0	0	0	113.8	A274 G275	A274-L279 WeakPolarHBondContact O-CA 3.23Å; A274-L279 PolarHBondContact O-N 2.74Å; G275-L279 WeakPolarHBondContact O-CD2 3.36Å
280	K	98.7	Very high	98.7	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.048	21%	0.212	C	C	.	.			trans	-47.6	145.7	174.9	57.6	178.9	68.6	64.5	0	112.2	A250 H252 V255 D256 V258 A274 S277 N278 V282	A250-K280 WeakPolarHBondContact O-CE 3.32Å; A250-K280 PolarHBondContact O-NZ 3.38Å; H252-K280 WeakPolarHBondContact O-CE 3.43Å; H252-K280 PolarHBondContact O-NZ 3.04Å; V255-K280 HydrophobicContact CG1-CD 4.13Å; V255-K280 WeakPolarHBondContact O-CB 3.19Å; V255-K280 WeakPolarHBondContact O-CE 3.3Å; D256-K280 WeakPolarHBondContact O-CA 3.29Å; D256-K280 WeakPolarHBondContact O-CB 3.32Å; V258-K280 HydrophobicContact CB-CD 4.19Å; V258-K280 HydrophobicContact CG2-CD 3.61Å; A274-K280 HydrophobicContact CB-CD 4.29Å; A274-K280 HydrophobicContact CB-CG 3.62Å; S277-K280 PolarHBondContact OG-NZ 3.42Å; N278-K280 PolarHBondContact O-N 2.93Å; N278-K280 WeakPolarHBondContact OD1-CB 3.46Å; N278-K280 VanDerWaalsContact OD1-CE 3.24Å; N278-K280 WeakPolarHBondContact OD1-CE 3.23Å; N278-K280 WeakPolarHBondContact OD1-CG 3.49Å; N278-K280 PolarHBondContact OD1-N 3.19Å; N278-K280 VanDerWaalsContact OD1-N 3.08Å; N278-K280 PolarHBondContact OD1-NZ 2.93Å; K280-V282 WeakPolarHBondContact O-CG2 3.25Å; K280-V282 PolarHBondContact O-N 3.49Å
281	K	98.7	Very high	98.7	Very high	75 Å²	75	36.8 Å²	36.8	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	138.6	176.1	-69.6	-173.5	-176.9	173.9	0	109.9	V176 D256 K257 V258 T503 E504	V176-K281 HydrophobicContact CG2-CD 4.03Å; D256-K281 PolarHBondContact O-N 3.19Å; D256-K281 VanDerWaalsContact O-N 3.07Å; K257-K281 CarbonylContact C-O 3.55Å; K257-K281 VanDerWaalsContact CA-O 3.31Å; K257-K281 WeakPolarHBondContact CA-O 3.45Å; K257-K281 HydrophobicContact CB-CB 4.3Å; K257-K281 HydrophobicContact CG-CB 4.39Å; V258-K281 PolarHBondContact N-O 3.43Å; K281-T503 PolarHBondContact NZ-O 3.46Å; K281-E504 WeakPolarHBondContact CE-OE2 3.4Å; K281-E504 VanDerWaalsContact NZ-CD 3.26Å; K281-E504 IonicContact NZ-OE1 3.12Å; K281-E504 PolarHBondContact NZ-OE1 3.1Å; K281-E504 IonicContact NZ-OE2 3.51Å; K281-E504 PolarHBondContact NZ-OE2 2.91Å
282	V	98.9	Very high	98.7	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.127	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133	-179.8	-175.1	0	0	0	0	110.8	V258 I270 Q271 A274 K280 L284 N490	V258-V282 WeakPolarHBondContact O-CA 3.35Å; I270-V282 HydrophobicContact CG2-CG1 4.11Å; Q271-V282 VanDerWaalsContact OE1-CG1 3.29Å; A274-V282 HydrophobicContact CB-CG2 3.31Å; K280-V282 WeakPolarHBondContact O-CG2 3.25Å; K280-V282 PolarHBondContact O-N 3.49Å; V282-L284 HydrophobicContact CG1-CD1 4.45Å; V282-L284 HydrophobicContact CG1-CD2 3.56Å; V282-L284 HydrophobicContact CG1-CG 3.8Å; V282-N490 PolarHBondContact O-ND2 3Å
283	T	98.8	Very high	98.7	Very high	17 Å²	17	27.1 Å²	27.1	10%	0.104	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136	162.2	49.8	0	0	0	0	109.8	K257 V258 A259 F260 N490 A501	K257-T283 PolarHBondContact NZ-OG1 3.24Å; V258-T283 PolarHBondContact O-N 3Å; V258-T283 VanDerWaalsContact O-N 3.07Å; A259-T283 WeakPolarHBondContact CA-O 3.5Å; F260-T283 PolarHBondContact N-O 2.94Å; T283-N490 WeakPolarHBondContact CA-O 3.4Å; T283-A501 HydrophobicContact CG2-CB 3.55Å
284	L	98.9	Very high	98.7	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.068	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.4	-176.4	-54.7	174.9	0	0	0	109.8	F260 I270 Q271 V282 L286 G489 N490	F260-L284 HydrophobicContact CB-CD2 3.88Å; F260-L284 HydrophobicContact CD1-CD2 4.07Å; F260-L284 HydrophobicContact CG-CD2 4.4Å; F260-L284 WeakPolarHBondContact O-CA 3.32Å; I270-L284 HydrophobicContact CB-CD2 4.16Å; I270-L284 HydrophobicContact CG2-CD2 3.88Å; Q271-L284 HydrophobicContact CB-CD1 4.44Å; V282-L284 HydrophobicContact CG1-CD1 4.45Å; V282-L284 HydrophobicContact CG1-CD2 3.56Å; V282-L284 HydrophobicContact CG1-CG 3.8Å; L284-L286 HydrophobicContact CB-CD1 3.95Å; L284-L286 HydrophobicContact CB-CD2 3.91Å; L284-L286 HydrophobicContact CB-CG 3.83Å; L284-L286 HydrophobicContact CD1-CD1 4.13Å; L284-G489 CarbonylContact O-C 3.56Å; L284-G489 WeakPolarHBondContact O-CA 3.36Å; L284-N490 WeakPolarHBondContact CB-OD1 3.43Å; L284-N490 WeakPolarHBondContact CG-OD1 3.43Å; L284-N490 PolarHBondContact N-O 3.28Å; L284-N490 PolarHBondContact N-OD1 2.84Å; L284-N490 PolarHBondContact O-N 3.47Å
285	E	98.7	Very high	98.7	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.047	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	105.1	168.6	-77.2	-60.6	140.7	0	0	108.3	F260 T261 G262 G483 E493	F260-E285 PolarHBondContact O-N 3.39Å; T261-E285 WeakPolarHBondContact CA-O 3.49Å; T261-E285 HydrophobicContact CG2-CB 3.89Å; T261-E285 WeakPolarHBondContact CG2-O 3.43Å; T261-E285 WeakPolarHBondContact OG1-CB 3.48Å; G262-E285 PolarHBondContact N-O 2.99Å; E285-G483 WeakPolarHBondContact OE1-CA 3.21Å; E285-G483 VanDerWaalsContact OE2-CA 3.29Å; E285-G483 WeakPolarHBondContact OE2-CA 3.02Å; E285-E493 HydrophobicContact CG-CG 3.91Å
286	L	98.7	Very high	98.7	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.047	15%	0.15	C	C	.	.			trans	-115	-177	-164.6	-50.7	175.6	0	0	0	112.2	F260 G262 T264 L284 A487 S488	F260-L286 HydrophobicContact CD1-CD2 3.7Å; F260-L286 HydrophobicContact CE1-CD2 3.61Å; G262-L286 VanDerWaalsContact O-CA 3.27Å; G262-L286 WeakPolarHBondContact O-CA 3.25Å; T264-L286 HydrophobicContact CG2-CD1 4.34Å; L284-L286 HydrophobicContact CB-CD1 3.95Å; L284-L286 HydrophobicContact CB-CD2 3.91Å; L284-L286 HydrophobicContact CB-CG 3.83Å; L284-L286 HydrophobicContact CD1-CD1 4.13Å; L286-A487 WeakPolarHBondContact CD1-O 3.39Å; L286-S488 WeakPolarHBondContact CA-O 3.26Å; L286-S488 PolarHBondContact N-O 2.9Å
287	G	97.7	Very high	98.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	12%	0.123	C	C	.	.			trans	-64.1	173.9	-178.9	0	0	0	0	0	114.8	G262 E416 Y442 S488	G262-G287 PolarHBondContact O-N 3.26Å; G287-E416 WeakPolarHBondContact CA-OE1 3.14Å; G287-E416 WeakPolarHBondContact CA-OE2 3.17Å; G287-Y442 WeakPolarHBondContact O-CD1 3.48Å; G287-S488 WeakPolarHBondContact O-CB 3.44Å; G287-S488 PolarHBondContact O-OG 3.1Å
288	G	98.2	Very high	98.7	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	12%	0.119	C	C	.	.			trans	-145.4	167.5	-177.1	0	0	0	0	0	114.9	C319 E416	G288-C319 WeakPolarHBondContact CA-O 3.16Å; G288-C319 PolarHBondContact N-O 2.87Å; G288-E416 PolarHBondContact N-OE1 2.9Å; G288-E416 WeakPolarHBondContact O-CB 3.46Å
289	K	98.7	Very high	98.7	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.132	C	C	.	.			trans	-141.6	58.1	166.8	-163.3	75.4	-170.6	179.2	0	109.4	S323 R324 I412 A413 E415 Y442	K289-S323 WeakPolarHBondContact CD-OG 3Å; K289-S323 WeakPolarHBondContact CE-OG 3.2Å; K289-R324 HydrophobicContact CG-CG 3.93Å; K289-R324 PolarHBondContact O-NE 3.07Å; K289-R324 PolarHBondContact O-NH2 2.8Å; K289-I412 WeakPolarHBondContact CE-O 3.25Å; K289-I412 PolarHBondContact NZ-O 3.42Å; K289-A413 WeakPolarHBondContact CE-O 3.07Å; K289-A413 WeakPolarHBondContact CG-O 3.18Å; K289-E415 VanDerWaalsContact CD-O 3.26Å; K289-E415 WeakPolarHBondContact CD-O 3.25Å; K289-E415 WeakPolarHBondContact CE-O 3.19Å; K289-E415 PolarHBondContact NZ-O 2.69Å; K289-Y442 HydrophobicContact CB-CD2 3.65Å; K289-Y442 HydrophobicContact CB-CE2 4.3Å; K289-Y442 HydrophobicContact CB-CG 4.35Å
290	S	98.8	Very high	98.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	10%	0.102	C	C	.	.			trans	-62.8	129.1	-165.5	-74.4	0	0	0	0	112.6	A321 G322 S323 R324 A445 Y473	S290-A321 WeakPolarHBondContact CB-O 3.42Å; S290-G322 CarbonylContact O-C 3.39Å; S290-S323 PolarHBondContact O-N 3.41Å; S290-R324 PolarHBondContact O-N 3.1Å; S290-A445 WeakPolarHBondContact CA-O 3.35Å; S290-A445 WeakPolarHBondContact CB-O 3.3Å; S290-A445 VanDerWaalsContact OG-C 3.3Å; S290-A445 PolarHBondContact OG-N 2.72Å; S290-A445 PolarHBondContact OG-O 2.88Å; S290-Y473 VanDerWaalsContact CB-OH 3.26Å; S290-Y473 WeakPolarHBondContact CB-OH 3.44Å
291	P	98.8	Very high	98.6	Very high	9 Å²	9	23.3 Å²	23.3	6%	0.058	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.8	175	32.1	-30.4	0	0	0	110.9	R324 F326 A437 A445 A446 S447 L463	P291-R324 CarbonylContact C-O 3.57Å; P291-R324 WeakPolarHBondContact CA-O 3Å; P291-F326 HydrophobicContact CB-CD2 3.97Å; P291-F326 HydrophobicContact CB-CE2 3.8Å; P291-A437 HydrophobicContact CB-CB 3.73Å; P291-A437 HydrophobicContact CG-CB 3.78Å; P291-A445 WeakPolarHBondContact CD-O 3.33Å; P291-A446 HydrophobicContact CG-CB 3.79Å; P291-A446 CarbonylContact O-C 3.5Å; P291-A446 WeakPolarHBondContact O-CA 3.35Å; P291-S447 PolarHBondContact O-N 3.07Å; P291-L463 HydrophobicContact CG-CD2 4.31Å
292	N	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.6	172.6	174.8	12.1	0	0	0	108.7	I294 S307 R324 V325 F326 S447 F449 Y473	N292-I294 WeakPolarHBondContact OD1-CD1 3.45Å; N292-S307 WeakPolarHBondContact ND2-CA 3.39Å; N292-S307 WeakPolarHBondContact ND2-CB 3.4Å; N292-S307 PolarHBondContact ND2-OG 2.89Å; N292-R324 PolarHBondContact N-O 3.26Å; N292-V325 HydrophobicContact CB-CG2 4.48Å; N292-V325 CarbonylContact O-C 3.48Å; N292-V325 WeakPolarHBondContact O-CA 3.09Å; N292-F326 PolarHBondContact O-N 2.98Å; N292-S447 WeakPolarHBondContact CA-OG 3.37Å; N292-S447 WeakPolarHBondContact CB-OG 3.49Å; N292-S447 PolarHBondContact OD1-OG 2.63Å; N292-F449 WeakPolarHBondContact OD1-CD2 3.15Å; N292-F449 WeakPolarHBondContact OD1-CE2 3.33Å; N292-Y473 HydrophobicContact CB-CE2 3.93Å
293	I	98.9	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.2	-168.2	-60.5	170.9	0	0	0	110.4	L295 F326 F427 V433 A437 S447 V448 F449 V459 L463	I293-L295 HydrophobicContact CG2-CD2 3.69Å; I293-F326 CarbonylContact C-O 3.27Å; I293-F326 WeakPolarHBondContact CA-O 3.48Å; I293-F326 HydrophobicContact CG1-CB 4.29Å; I293-F326 HydrophobicContact CG1-CD2 4.45Å; I293-F427 HydrophobicContact CG2-CE1 4.17Å; I293-F427 HydrophobicContact CG2-CZ 4.04Å; I293-V433 HydrophobicContact CD1-CG1 4.28Å; I293-V433 HydrophobicContact CD1-CG2 3.93Å; I293-V433 HydrophobicContact CG1-CG2 3.88Å; I293-V433 HydrophobicContact CG2-CG1 4.13Å; I293-V433 HydrophobicContact CG2-CG2 4.04Å; I293-A437 HydrophobicContact CD1-CB 4.14Å; I293-S447 PolarHBondContact N-O 2.96Å; I293-V448 HydrophobicContact CG2-CG2 4.49Å; I293-V448 CarbonylContact O-C 3.57Å; I293-V448 WeakPolarHBondContact O-CA 3.47Å; I293-F449 PolarHBondContact O-N 3.39Å; I293-V459 HydrophobicContact CD1-CG1 3.97Å; I293-L463 HydrophobicContact CD1-CD1 4.28Å; I293-L463 HydrophobicContact CD1-CD2 4.01Å
294	I	98.9	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.6	179.9	-43.8	-53	0	0	0	109.1	N292 A298 A303 V325 F326 V327 Q328 F335 F449	N292-I294 WeakPolarHBondContact OD1-CD1 3.45Å; I294-A298 HydrophobicContact CG2-CB 4.02Å; I294-A303 HydrophobicContact CD1-CB 4.1Å; I294-A303 HydrophobicContact CG2-CB 3.82Å; I294-V325 HydrophobicContact CG1-CG1 4.16Å; I294-F326 PolarHBondContact N-O 3.41Å; I294-V327 HydrophobicContact CB-CB 4.5Å; I294-V327 HydrophobicContact CB-CG1 4.28Å; I294-V327 HydrophobicContact CB-CG2 4.27Å; I294-V327 HydrophobicContact CG1-CG2 4.1Å; I294-Q328 PolarHBondContact O-N 2.83Å; I294-F335 HydrophobicContact CD1-CE2 4.41Å; I294-F335 HydrophobicContact CG1-CD2 4.42Å; I294-F335 HydrophobicContact CG1-CE2 3.84Å; I294-F335 HydrophobicContact CG1-CZ 4.14Å; I294-F335 HydrophobicContact CG2-CD2 4.26Å; I294-F335 HydrophobicContact CG2-CE2 4.32Å; I294-F449 HydrophobicContact CD1-CB 3.92Å; I294-F449 HydrophobicContact CD1-CD2 3.37Å; I294-F449 HydrophobicContact CD1-CE2 4.11Å; I294-F449 HydrophobicContact CD1-CG 3.79Å
295	L	98.9	Very high	98.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.126	C	C	.	.			trans	-84.1	158.5	176.4	-53	-165.7	0	0	0	111	I293 D297 A298 F427 L430 V448 F449 T450 K455	I293-L295 HydrophobicContact CG2-CD2 3.69Å; L295-D297 PolarHBondContact O-N 3.24Å; L295-A298 WeakPolarHBondContact O-CB 3.34Å; L295-A298 PolarHBondContact O-N 2.91Å; L295-F427 HydrophobicContact CD2-CE2 4.23Å; L295-F427 HydrophobicContact CD2-CZ 3.67Å; L295-L430 HydrophobicContact CD1-CD2 3.81Å; L295-L430 HydrophobicContact CD2-CD2 3.57Å; L295-L430 HydrophobicContact CG-CD2 4.39Å; L295-V448 HydrophobicContact CD1-CG2 4.35Å; L295-V448 HydrophobicContact CG-CG2 4.27Å; L295-F449 WeakPolarHBondContact CB-O 3.46Å; L295-F449 WeakPolarHBondContact CG-O 3.42Å; L295-F449 PolarHBondContact N-O 3.27Å; L295-T450 HydrophobicContact CD1-CG2 4.44Å; L295-K455 HydrophobicContact CD1-CB 3.74Å; L295-K455 HydrophobicContact CD1-CD 3.53Å; L295-K455 HydrophobicContact CD1-CG 4.24Å
296	S	98.7	Very high	98.5	Very high	44 Å²	44	24.8 Å²	24.8	31%	0.308	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	-176.8	58.6	0	0	0	0	114.1	Q328	S296-Q328 PolarHBondContact OG-OE1 3.15Å; S296-Q328 VanDerWaalsContact OG-OE1 3.14Å
297	D	98.6	Very high	98.5	Very high	39 Å²	39	24.3 Å²	24.3	21%	0.209	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.8	175	68.2	-70.5	0	0	0	113.6	L295 T450 T451 D452 K455	L295-D297 PolarHBondContact O-N 3.24Å; D297-T450 PolarHBondContact OD2-OG1 2.99Å; D297-T450 VanDerWaalsContact OD2-OG1 3.05Å; D297-T451 VanDerWaalsContact O-CG2 3.28Å; D297-T451 WeakPolarHBondContact O-CG2 3.46Å; D297-T451 PolarHBondContact O-OG1 3.44Å; D297-T451 PolarHBondContact OD2-N 3.24Å; D297-T451 PolarHBondContact OD2-OG1 2.79Å; D297-D452 PolarHBondContact OD2-N 2.65Å; D297-K455 IonicContact OD1-NZ 2.79Å; D297-K455 PolarHBondContact OD1-NZ 3.28Å; D297-K455 IonicContact OD2-NZ 3.86Å
298	A	98.6	Very high	98.6	Very high	15 Å²	15	24.6 Å²	24.6	12%	0.124	13%	0.131	C	C	.	.	S	Bend	trans	-64.1	149.6	175.8	0	0	0	0	0	111.8	I294 L295 L300 A303 F449	I294-A298 HydrophobicContact CG2-CB 4.02Å; L295-A298 WeakPolarHBondContact O-CB 3.34Å; L295-A298 PolarHBondContact O-N 2.91Å; A298-L300 PolarHBondContact O-N 3.34Å; A298-A303 HydrophobicContact CB-CB 4.44Å; A298-F449 HydrophobicContact CB-CB 3.89Å
299	N	98.3	Very high	98.6	Very high	94 Å²	94	27.8 Å²	27.8	50%	0.503	15%	0.147	S	C	.	.			trans	-65.6	102.9	160.4	178.6	-33.9	0	0	0	108.4	E301 N302 A303	N299-E301 VanDerWaalsContact C-N 3.34Å; N299-E301 PolarHBondContact O-N 2.96Å; N299-E301 PolarHBondContact OD1-N 3.47Å; N299-N302 HydrophobicContact CB-CB 4.19Å; N299-N302 PolarHBondContact O-N 3.42Å; N299-N302 PolarHBondContact OD1-N 3.08Å; N299-N302 VanDerWaalsContact OD1-N 3.08Å; N299-A303 WeakPolarHBondContact O-CB 3.27Å; N299-A303 PolarHBondContact O-N 3.22Å
300	L	97.8	Very high	98.5	Very high	21 Å²	21	27.8 Å²	27.8	11%	0.11	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-36	-170.6	-164.9	66.4	0	0	0	113.2	A298 A303 V304 V331 E334 F335	A298-L300 PolarHBondContact O-N 3.34Å; L300-A303 PolarHBondContact O-N 3.32Å; L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.39Å; L300-V304 PolarHBondContact O-N 3.43Å; L300-V331 HydrophobicContact CD1-CB 4.33Å; L300-V331 HydrophobicContact CD1-CG2 4.48Å; L300-E334 HydrophobicContact CD2-CB 3.99Å; L300-E334 HydrophobicContact CD2-CG 3.58Å; L300-E334 WeakPolarHBondContact CD2-OE1 3.36Å; L300-F335 HydrophobicContact CD1-CB 4.05Å; L300-F335 HydrophobicContact CD1-CD2 3.7Å; L300-F335 HydrophobicContact CD1-CG 4.37Å
301	E	97.9	Very high	98.5	Very high	116 Å²	116	27.9 Å²	27.9	54%	0.542	15%	0.147	S	C	.	.	H	α-helix	trans	-62.5	-49.5	176.6	-176.9	178.8	179.1	0	0	110.9	N299 V304 E305	N299-E301 VanDerWaalsContact C-N 3.34Å; N299-E301 PolarHBondContact O-N 2.96Å; N299-E301 PolarHBondContact OD1-N 3.47Å; E301-V304 PolarHBondContact O-N 2.87Å; E301-E305 PolarHBondContact O-N 3.4Å; E301-E305 VanDerWaalsContact O-N 3.16Å
302	N	98.3	Very high	98.5	Very high	56 Å²	56	27.4 Å²	27.4	30%	0.299	14%	0.144	S	C	.	.	H	α-helix	trans	-63.7	-42.3	175.6	-178.7	61.8	0	0	0	111.8	N299 V304 E305 Q306 N471	N299-N302 HydrophobicContact CB-CB 4.19Å; N299-N302 PolarHBondContact O-N 3.42Å; N299-N302 PolarHBondContact OD1-N 3.08Å; N299-N302 VanDerWaalsContact OD1-N 3.08Å; N302-V304 VanDerWaalsContact C-N 3.35Å; N302-V304 PolarHBondContact O-N 3.48Å; N302-E305 PolarHBondContact O-N 2.96Å; N302-Q306 VanDerWaalsContact O-CB 3.3Å; N302-Q306 WeakPolarHBondContact O-CB 3.45Å; N302-Q306 VanDerWaalsContact O-CG 3.25Å; N302-Q306 WeakPolarHBondContact O-CG 3.42Å; N302-Q306 PolarHBondContact O-N 3.47Å; N302-N471 PolarHBondContact ND2-O 3.48Å
303	A	98.7	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-42	179.3	0	0	0	0	0	112.1	I294 A298 N299 L300 S307 F335 F449	I294-A303 HydrophobicContact CD1-CB 4.1Å; I294-A303 HydrophobicContact CG2-CB 3.82Å; A298-A303 HydrophobicContact CB-CB 4.44Å; N299-A303 WeakPolarHBondContact O-CB 3.27Å; N299-A303 PolarHBondContact O-N 3.22Å; L300-A303 PolarHBondContact O-N 3.32Å; A303-S307 WeakPolarHBondContact O-CB 3.48Å; A303-S307 PolarHBondContact O-N 3.39Å; A303-S307 PolarHBondContact O-OG 3.11Å; A303-F335 HydrophobicContact CB-CE2 4.34Å; A303-F449 HydrophobicContact CB-CB 4.26Å; A303-F449 HydrophobicContact CB-CD1 4Å; A303-F449 HydrophobicContact CB-CG 4.16Å
304	V	98.8	Very high	98.4	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-54.7	175.4	170	0	0	0	0	110.1	L300 E301 N302 Q306 S307 H308 F335 R338 R342	L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.39Å; L300-V304 PolarHBondContact O-N 3.43Å; E301-V304 PolarHBondContact O-N 2.87Å; N302-V304 VanDerWaalsContact C-N 3.35Å; N302-V304 PolarHBondContact O-N 3.48Å; V304-Q306 PolarHBondContact O-N 3.04Å; V304-S307 PolarHBondContact O-N 3.17Å; V304-S307 VanDerWaalsContact O-N 3.14Å; V304-H308 PolarHBondContact O-CD2 3.48Å; V304-H308 PolarHBondContact O-N 3.42Å; V304-F335 HydrophobicContact CB-CE2 4.4Å; V304-F335 HydrophobicContact CG2-CD2 3.59Å; V304-F335 HydrophobicContact CG2-CE2 3.65Å; V304-F335 HydrophobicContact CG2-CG 4.27Å; V304-F335 HydrophobicContact CG2-CZ 4.37Å; V304-R338 HydrophobicContact CG1-CB 4.23Å; V304-R338 HydrophobicContact CG2-CB 3.87Å; V304-R342 HydrophobicContact CG1-CB 4.4Å
305	E	98.6	Very high	98.4	Very high	66 Å²	66	29.8 Å²	29.8	31%	0.308	16%	0.155	S	C	.	.	H	α-helix	trans	-61.2	-42.3	-177.6	-69.4	-55.9	138.6	0	0	112.6	E301 N302 H308 I309 R342	E301-E305 PolarHBondContact O-N 3.4Å; E301-E305 VanDerWaalsContact O-N 3.16Å; N302-E305 PolarHBondContact O-N 2.96Å; E305-H308 WeakPolarHBondContact O-CB 3.31Å; E305-H308 PolarHBondContact O-N 3.14Å; E305-I309 WeakPolarHBondContact O-CG1 3.33Å; E305-I309 PolarHBondContact O-N 3.01Å; E305-R342 VanDerWaalsContact OE1-CD 3.26Å; E305-R342 WeakPolarHBondContact OE1-CD 3.42Å; E305-R342 IonicContact OE1-NE 3.63Å; E305-R342 IonicContact OE2-CZ 2.86Å; E305-R342 IonicContact OE2-NE 2.62Å; E305-R342 PolarHBondContact OE2-NE 2.96Å; E305-R342 IonicContact OE2-NH2 2.73Å
306	Q	98.6	Very high	98.4	Very high	39 Å²	39	29.9 Å²	29.9	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-32.1	177.3	-67.2	-67.5	-47.2	0	0	112.6	N302 V304 H308 I309 G310 F449 Y473	N302-Q306 VanDerWaalsContact O-CB 3.3Å; N302-Q306 WeakPolarHBondContact O-CB 3.45Å; N302-Q306 VanDerWaalsContact O-CG 3.25Å; N302-Q306 WeakPolarHBondContact O-CG 3.42Å; N302-Q306 PolarHBondContact O-N 3.47Å; V304-Q306 PolarHBondContact O-N 3.04Å; Q306-H308 VanDerWaalsContact C-N 3.32Å; Q306-I309 PolarHBondContact O-N 3.34Å; Q306-G310 PolarHBondContact O-N 2.78Å; Q306-F449 HydrophobicContact CB-CE1 3.54Å; Q306-F449 HydrophobicContact CB-CZ 3.38Å; Q306-F449 HydrophobicContact CG-CE1 3.86Å; Q306-F449 HydrophobicContact CG-CZ 4.1Å; Q306-Y473 VanDerWaalsContact OE1-N 3.13Å
307	S	98.8	Very high	98.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.9	-36.8	172.6	-61.3	0	0	0	0	111.6	N292 A303 V304 G310 L311 M422	N292-S307 WeakPolarHBondContact ND2-CA 3.39Å; N292-S307 WeakPolarHBondContact ND2-CB 3.4Å; N292-S307 PolarHBondContact ND2-OG 2.89Å; A303-S307 WeakPolarHBondContact O-CB 3.48Å; A303-S307 PolarHBondContact O-N 3.39Å; A303-S307 PolarHBondContact O-OG 3.11Å; V304-S307 PolarHBondContact O-N 3.17Å; V304-S307 VanDerWaalsContact O-N 3.14Å; S307-G310 PolarHBondContact O-N 2.83Å; S307-L311 PolarHBondContact O-N 3.15Å; S307-M422 WeakPolarHBondContact O-CE 3.4Å
308	H	98.6	Very high	98.4	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-43.2	174.3	-84	-109.2	0	0	0	112.2	V304 E305 Q306 G310 L311 F312 S339 R342 A343	V304-H308 PolarHBondContact O-CD2 3.48Å; V304-H308 PolarHBondContact O-N 3.42Å; E305-H308 WeakPolarHBondContact O-CB 3.31Å; E305-H308 PolarHBondContact O-N 3.14Å; Q306-H308 VanDerWaalsContact C-N 3.32Å; H308-G310 VanDerWaalsContact C-N 3.32Å; H308-L311 PolarHBondContact O-N 3.34Å; H308-F312 HydrophobicContact CB-CD2 4.19Å; H308-F312 AromaticContact CE1-CE2 3.7Å; H308-F312 AromaticContact ND1-CD2 3.61Å; H308-F312 AromaticContact ND1-CE2 3.48Å; H308-F312 WeakPolarHBondContact ND1-CE2 3.26Å; H308-F312 WeakPolarHBondContact O-CB 3.46Å; H308-F312 PolarHBondContact O-N 2.81Å; H308-S339 PolarHBondContact CE1-O 2.91Å; H308-S339 VanDerWaalsContact NE2-CA 3.26Å; H308-S339 WeakPolarHBondContact NE2-CA 3.48Å; H308-S339 WeakPolarHBondContact NE2-CB 3.5Å; H308-S339 PolarHBondContact NE2-O 3.09Å; H308-S339 VanDerWaalsContact NE2-O 3.13Å; H308-R342 HydrophobicContact CB-CG 4.27Å; H308-R342 VanDerWaalsContact ND1-CG 3.29Å; H308-R342 WeakPolarHBondContact ND1-CG 3.5Å; H308-A343 PolarHBondContact CE1-N 3.21Å
309	I	97.5	Very high	98.4	Very high	70 Å²	70	26.9 Å²	26.9	36%	0.359	14%	0.137	S	C	.	.	H	α-helix	trans	-60.5	-45.7	171	-68.7	165.8	0	0	0	110	E305 Q306 L311 F313 N474	E305-I309 WeakPolarHBondContact O-CG1 3.33Å; E305-I309 PolarHBondContact O-N 3.01Å; Q306-I309 PolarHBondContact O-N 3.34Å; I309-L311 PolarHBondContact O-N 2.84Å; I309-F313 WeakPolarHBondContact O-CB 3.47Å; I309-F313 PolarHBondContact O-N 2.99Å; I309-N474 PolarHBondContact O-ND2 2.95Å
310	G	97.9	Very high	98.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-27.6	-176.9	0	0	0	0	0	113.8	Q306 S307 H308 A321 G322	Q306-G310 PolarHBondContact O-N 2.78Å; S307-G310 PolarHBondContact O-N 2.83Å; H308-G310 VanDerWaalsContact C-N 3.32Å; G310-A321 CarbonylContact O-C 3.52Å; G310-A321 VanDerWaalsContact O-CA 3.27Å; G310-A321 WeakPolarHBondContact O-CA 3.49Å; G310-G322 PolarHBondContact O-N 2.76Å
311	L	98.8	Very high	98.4	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-103.1	-56.8	178.3	-176.9	92.9	0	0	0	113.7	S307 H308 I309 F313 G316 M422	S307-L311 PolarHBondContact O-N 3.15Å; H308-L311 PolarHBondContact O-N 3.34Å; I309-L311 PolarHBondContact O-N 2.84Å; L311-F313 VanDerWaalsContact C-N 3.32Å; L311-F313 PolarHBondContact O-N 2.92Å; L311-G316 VanDerWaalsContact O-CA 3.23Å; L311-G316 WeakPolarHBondContact O-CA 3.4Å; L311-M422 HydrophobicContact CB-CE 3.99Å; L311-M422 HydrophobicContact CD2-CB 3.26Å; L311-M422 HydrophobicContact CD2-CE 3.9Å; L311-M422 HydrophobicContact CD2-CG 3.73Å; L311-M422 HydrophobicContact CD2-SD 4.48Å
312	F	98.8	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-82.8	-7.9	-166.8	-64	-76.8	0	0	0	113.7	H308 Q315 A343 R346 P400 V402 P420 M422	H308-F312 HydrophobicContact CB-CD2 4.19Å; H308-F312 AromaticContact CE1-CE2 3.7Å; H308-F312 AromaticContact ND1-CD2 3.61Å; H308-F312 AromaticContact ND1-CE2 3.48Å; H308-F312 WeakPolarHBondContact ND1-CE2 3.26Å; H308-F312 WeakPolarHBondContact O-CB 3.46Å; H308-F312 PolarHBondContact O-N 2.81Å; F312-Q315 PolarHBondContact O-N 2.96Å; F312-A343 HydrophobicContact CZ-CB 4.31Å; F312-R346 PolarHBondContact O-NH2 3.07Å; F312-P400 HydrophobicContact CD1-CB 4.22Å; F312-P400 HydrophobicContact CE1-CB 3.79Å; F312-P400 HydrophobicContact CZ-CB 4.34Å; F312-V402 HydrophobicContact CZ-CG2 4.13Å; F312-P420 HydrophobicContact CD1-CB 3.8Å; F312-P420 HydrophobicContact CE1-CB 4.17Å; F312-P420 WeakPolarHBondContact CE1-O 3.28Å; F312-M422 HydrophobicContact CE2-CE 4.02Å; F312-M422 HydrophobicContact CE2-SD 4.44Å; F312-M422 HydrophobicContact CZ-CB 4.14Å
313	F	98.2	Very high	98.4	Very high	45 Å²	45	14.2 Å²	14.2	20%	0.197	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-55.8	139.9	174.6	176.5	-111.9	0	0	0	111.4	I133 F187 I309 L311 Q315 G316	I133-F313 HydrophobicContact CG2-CE2 3.77Å; I133-F313 HydrophobicContact CG2-CZ 4.32Å; F187-F313 AromaticContact CE1-CE1 3.57Å; F187-F313 HydrophobicContact CE1-CE1 3.57Å; F187-F313 AromaticContact CE1-CZ 3.89Å; F187-F313 HydrophobicContact CE1-CZ 3.89Å; F187-F313 HydrophobicContact CZ-CD1 4.13Å; F187-F313 AromaticContact CZ-CE1 3.5Å; F187-F313 HydrophobicContact CZ-CE1 3.5Å; F187-F313 VanDerWaalsContact CZ-CE1 3.5Å; F187-F313 HydrophobicContact CZ-CZ 4.28Å; I309-F313 WeakPolarHBondContact O-CB 3.47Å; I309-F313 PolarHBondContact O-N 2.99Å; L311-F313 VanDerWaalsContact C-N 3.32Å; L311-F313 PolarHBondContact O-N 2.92Å; F313-Q315 PolarHBondContact O-N 3.06Å; F313-G316 PolarHBondContact O-N 3.42Å
314	N	98	Very high	98.4	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.021	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	50.4	44	-175.5	-163.4	42.5	0	0	0	113	N186 F187 G316 Q317	N186-N314 PolarHBondContact O-ND2 2.8Å; F187-N314 HydrophobicContact CE1-CB 3.92Å; F187-N314 HydrophobicContact CE2-CB 4.46Å; F187-N314 HydrophobicContact CZ-CB 3.58Å; F187-N314 WeakPolarHBondContact CZ-ND2 3.17Å; N314-G316 PolarHBondContact O-N 3.38Å; N314-G316 VanDerWaalsContact O-N 3.09Å; N314-Q317 PolarHBondContact ND2-O 2.9Å; N314-Q317 VanDerWaalsContact O-CB 3.22Å; N314-Q317 WeakPolarHBondContact O-CB 3.44Å; N314-Q317 WeakPolarHBondContact O-CG 3.38Å; N314-Q317 PolarHBondContact O-N 3.25Å
315	Q	98.4	Very high	98.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	58.6	18.3	-176.6	-54.3	74.5	-106	0	0	114.8	F312 F313 Q317 Q358 G359 P360 Q361 G419 P420	F312-Q315 PolarHBondContact O-N 2.96Å; F313-Q315 PolarHBondContact O-N 3.06Å; Q315-Q317 VanDerWaalsContact C-N 3.31Å; Q315-Q317 HydrophobicContact CB-CG 4.25Å; Q315-Q358 HydrophobicContact CB-CG 4.36Å; Q315-Q358 HydrophobicContact CG-CG 3.91Å; Q315-G359 VanDerWaalsContact CG-O 3.26Å; Q315-G359 WeakPolarHBondContact CG-O 3.47Å; Q315-P360 WeakPolarHBondContact CG-O 3.43Å; Q315-Q361 PolarHBondContact O-OE1 2.87Å; Q315-G419 CarbonylContact O-C 3.53Å; Q315-G419 WeakPolarHBondContact O-CA 3.41Å; Q315-P420 WeakPolarHBondContact O-CD 3.42Å
316	G	98.4	Very high	98.5	Very high	2 Å²	2	11.2 Å²	11.2	2%	0.021	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	82.9	4.9	-172.4	0	0	0	0	0	114.9	L311 F313 N314 C318 F418 G419	L311-G316 VanDerWaalsContact O-CA 3.23Å; L311-G316 WeakPolarHBondContact O-CA 3.4Å; F313-G316 PolarHBondContact O-N 3.42Å; N314-G316 PolarHBondContact O-N 3.38Å; N314-G316 VanDerWaalsContact O-N 3.09Å; G316-C318 PolarHBondContact O-N 3.02Å; G316-F418 CarbonylContact O-C 3.58Å; G316-F418 VanDerWaalsContact O-C 3.27Å; G316-F418 WeakPolarHBondContact O-CA 3.28Å; G316-G419 PolarHBondContact O-N 3.34Å
317	Q	98.7	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.			trans	-87.4	56.1	-179.4	-50.4	174.8	132.7	0	0	110	W185 N186 N314 Q315 F418	W185-Q317 HydrophobicContact CH2-CB 3.91Å; W185-Q317 HydrophobicContact CH2-CG 3.91Å; W185-Q317 HydrophobicContact CZ3-CB 3.73Å; W185-Q317 HydrophobicContact CZ3-CG 3.89Å; N186-Q317 HydrophobicContact CB-CB 4.24Å; N186-Q317 VanDerWaalsContact CB-O 3.27Å; N186-Q317 WeakPolarHBondContact CB-O 3.25Å; N186-Q317 PolarHBondContact ND2-O 2.8Å; N314-Q317 PolarHBondContact ND2-O 2.9Å; N314-Q317 VanDerWaalsContact O-CB 3.22Å; N314-Q317 WeakPolarHBondContact O-CB 3.44Å; N314-Q317 WeakPolarHBondContact O-CG 3.38Å; N314-Q317 PolarHBondContact O-N 3.25Å; Q315-Q317 VanDerWaalsContact C-N 3.31Å; Q315-Q317 HydrophobicContact CB-CG 4.25Å; Q317-F418 VanDerWaalsContact C-CZ 3.43Å; Q317-F418 HydrophobicContact CB-CD1 3.87Å; Q317-F418 HydrophobicContact CB-CE1 3.7Å; Q317-F418 HydrophobicContact CB-CZ 4.32Å; Q317-F418 HydrophobicContact CG-CD1 4.32Å
318	C	98.5	Very high	98.5	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.034	6%	0.058	C	C	.	.			trans	-131.4	127.3	-178.2	-166.8	0	0	0	0	109.9	F187 G316 C320 A321 F418	F187-C318 HydrophobicContact CE2-CB 4.37Å; G316-C318 PolarHBondContact O-N 3.02Å; C318-C320 PolarHBondContact O-N 3.06Å; C318-C320 PolarHBondContact SG-SG 2.81Å; C318-A321 HydrophobicContact CB-CB 4.35Å; C318-A321 WeakPolarHBondContact O-CB 3.3Å; C318-A321 PolarHBondContact O-N 3.38Å; C318-F418 VanDerWaalsContact C-CE2 3.47Å
319	C	97.9	Very high	98.5	Very high	31 Å²	31	12.4 Å²	12.4	21%	0.209	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.6	-175.9	50.3	0	0	0	0	112.5	G288 L444	G288-C319 WeakPolarHBondContact CA-O 3.16Å; G288-C319 PolarHBondContact N-O 2.87Å; C319-L444 VanDerWaalsContact C-CD2 3.43Å; C319-L444 HydrophobicContact CB-CD2 3.54Å; C319-L444 WeakPolarHBondContact O-CD2 3.45Å; C319-L444 VanDerWaalsContact SG-CD2 3.58Å
320	C	98.4	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	14.3	177.9	62	0	0	0	0	113.8	C318 G322 L444 A445 W469 Y473 N474 F476 F482	C318-C320 PolarHBondContact O-N 3.06Å; C318-C320 PolarHBondContact SG-SG 2.81Å; C320-G322 PolarHBondContact O-N 2.86Å; C320-L444 HydrophobicContact CB-CD2 4.04Å; C320-L444 HydrophobicContact CB-CG 4.37Å; C320-A445 HydrophobicContact CB-CB 3.68Å; C320-W469 HydrophobicContact CB-CH2 4.19Å; C320-Y473 VanDerWaalsContact O-CE1 3.29Å; C320-Y473 WeakPolarHBondContact O-CE1 3.19Å; C320-Y473 PolarHBondContact O-OH 3.37Å; C320-N474 PolarHBondContact SG-OD1 3.07Å; C320-F476 VanDerWaalsContact SG-CZ 3.56Å; C320-F482 HydrophobicContact CB-CE2 4.34Å; C320-F482 HydrophobicContact CB-CZ 4.08Å
321	A	98.7	Very high	98.5	Very high	10 Å²	10	16.2 Å²	16.2	8%	0.083	9%	0.093	C	C	.	.			trans	-51.9	130.7	-178.5	0	0	0	0	0	111.1	S290 G310 C318 S323	S290-A321 WeakPolarHBondContact CB-O 3.42Å; G310-A321 CarbonylContact O-C 3.52Å; G310-A321 VanDerWaalsContact O-CA 3.27Å; G310-A321 WeakPolarHBondContact O-CA 3.49Å; C318-A321 HydrophobicContact CB-CB 4.35Å; C318-A321 WeakPolarHBondContact O-CB 3.3Å; C318-A321 PolarHBondContact O-N 3.38Å; A321-S323 PolarHBondContact O-N 3.4Å; A321-S323 PolarHBondContact O-OG 2.91Å
322	G	98.5	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.			trans	-70	56.8	179.2	0	0	0	0	0	112.4	S290 G310 C320 R324 V325 Y473	S290-G322 CarbonylContact O-C 3.39Å; G310-G322 PolarHBondContact O-N 2.76Å; C320-G322 PolarHBondContact O-N 2.86Å; G322-R324 VanDerWaalsContact C-N 3.31Å; G322-R324 PolarHBondContact O-N 3.12Å; G322-V325 WeakPolarHBondContact O-CG2 3.42Å; G322-Y473 VanDerWaalsContact CA-CZ 3.5Å; G322-Y473 WeakPolarHBondContact CA-OH 3.08Å; G322-Y473 PolarHBondContact N-OH 3.12Å
323	S	98.2	Very high	98.5	Very high	11 Å²	11	21.8 Å²	21.8	8%	0.077	12%	0.122	C	C	.	.			trans	-76.3	-15.8	-168.1	49.7	0	0	0	0	113.4	K289 S290 A321 Q423	K289-S323 WeakPolarHBondContact CD-OG 3Å; K289-S323 WeakPolarHBondContact CE-OG 3.2Å; S290-S323 PolarHBondContact O-N 3.41Å; A321-S323 PolarHBondContact O-N 3.4Å; A321-S323 PolarHBondContact O-OG 2.91Å; S323-Q423 WeakPolarHBondContact O-CB 3.38Å; S323-Q423 PolarHBondContact O-OE1 3.33Å
324	R	98.8	Very high	98.6	Very high	8 Å²	8	23.8 Å²	23.8	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	95	168.1	-63.9	-177.8	-65.4	145.9	1.3	110.7	K289 S290 P291 N292 G322 F326 A413 F425 R436 A437	K289-R324 HydrophobicContact CG-CG 3.93Å; K289-R324 PolarHBondContact O-NE 3.07Å; K289-R324 PolarHBondContact O-NH2 2.8Å; S290-R324 PolarHBondContact O-N 3.1Å; P291-R324 CarbonylContact C-O 3.57Å; P291-R324 WeakPolarHBondContact CA-O 3Å; N292-R324 PolarHBondContact N-O 3.26Å; G322-R324 VanDerWaalsContact C-N 3.31Å; G322-R324 PolarHBondContact O-N 3.12Å; R324-F326 HydrophobicContact CB-CD2 4.19Å; R324-F326 HydrophobicContact CB-CE2 3.56Å; R324-F326 HydrophobicContact CB-CZ 4.17Å; R324-F326 WeakPolarHBondContact O-CD2 3.46Å; R324-F326 PolarHBondContact O-N 3.35Å; R324-A413 WeakPolarHBondContact CD-O 3.15Å; R324-F425 HydrophobicContact CB-CD2 4.21Å; R324-F425 HydrophobicContact CB-CE2 3.74Å; R324-F425 HydrophobicContact CB-CZ 4.42Å; R324-F425 HydrophobicContact CG-CE2 3.76Å; R324-F425 HydrophobicContact CG-CZ 4Å; R324-R436 PolarHBondContact NH1-O 2.87Å; R324-A437 PolarHBondContact NH1-O 3.02Å; R324-A437 PolarHBondContact NH2-O 2.95Å
325	V	98.9	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	103	177.9	-170.7	0	0	0	0	108.9	N292 I294 G322 V327 F335 M422 Q423 I424 F425	N292-V325 HydrophobicContact CB-CG2 4.48Å; N292-V325 CarbonylContact O-C 3.48Å; N292-V325 WeakPolarHBondContact O-CA 3.09Å; I294-V325 HydrophobicContact CG1-CG1 4.16Å; G322-V325 WeakPolarHBondContact O-CG2 3.42Å; V325-V327 HydrophobicContact CG1-CG2 3.9Å; V325-F335 HydrophobicContact CG1-CE1 3.72Å; V325-F335 HydrophobicContact CG1-CZ 3.71Å; V325-M422 HydrophobicContact CG2-CE 4.05Å; V325-M422 HydrophobicContact CG2-CG 4.06Å; V325-M422 HydrophobicContact CG2-SD 4.29Å; V325-Q423 PolarHBondContact N-O 2.89Å; V325-I424 HydrophobicContact CB-CG1 4.44Å; V325-I424 CarbonylContact O-C 3.56Å; V325-I424 WeakPolarHBondContact O-CA 3.1Å; V325-F425 PolarHBondContact O-N 2.79Å
326	F	98.9	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.4	175.7	-68	-85.4	0	0	0	109.1	P291 N292 I293 I294 R324 F425 F427 V433 R436	P291-F326 HydrophobicContact CB-CD2 3.97Å; P291-F326 HydrophobicContact CB-CE2 3.8Å; N292-F326 PolarHBondContact O-N 2.98Å; I293-F326 CarbonylContact C-O 3.27Å; I293-F326 WeakPolarHBondContact CA-O 3.48Å; I293-F326 HydrophobicContact CG1-CB 4.29Å; I293-F326 HydrophobicContact CG1-CD2 4.45Å; I294-F326 PolarHBondContact N-O 3.41Å; R324-F326 HydrophobicContact CB-CD2 4.19Å; R324-F326 HydrophobicContact CB-CE2 3.56Å; R324-F326 HydrophobicContact CB-CZ 4.17Å; R324-F326 WeakPolarHBondContact O-CD2 3.46Å; R324-F326 PolarHBondContact O-N 3.35Å; F326-F425 HydrophobicContact CD1-CB 3.54Å; F326-F425 HydrophobicContact CD1-CG 4.06Å; F326-F425 HydrophobicContact CE1-CB 3.79Å; F326-F425 HydrophobicContact CE1-CD1 4.09Å; F326-F425 HydrophobicContact CE1-CD2 4.38Å; F326-F425 AromaticContact CE1-CG 3.85Å; F326-F425 HydrophobicContact CE1-CG 3.85Å; F326-F425 HydrophobicContact CG-CB 4.25Å; F326-F425 HydrophobicContact CZ-CG 4.36Å; F326-F427 HydrophobicContact CB-CD1 3.74Å; F326-F427 HydrophobicContact CB-CE1 4.05Å; F326-F427 WeakPolarHBondContact O-CE1 3.47Å; F326-V433 HydrophobicContact CB-CG2 3.56Å; F326-V433 HydrophobicContact CD1-CG2 4.03Å; F326-V433 HydrophobicContact CD2-CG2 4.36Å; F326-V433 HydrophobicContact CG-CG2 3.74Å; F326-R436 HydrophobicContact CE1-CB 4.1Å; F326-R436 HydrophobicContact CZ-CB 4.33Å
327	V	98.9	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.8	-178.2	-172	0	0	0	0	110	I294 V325 V331 Y332 F335 I424 F425 K426 F427	I294-V327 HydrophobicContact CB-CB 4.5Å; I294-V327 HydrophobicContact CB-CG1 4.28Å; I294-V327 HydrophobicContact CB-CG2 4.27Å; I294-V327 HydrophobicContact CG1-CG2 4.1Å; V325-V327 HydrophobicContact CG1-CG2 3.9Å; V327-V331 HydrophobicContact CG1-CG2 3.87Å; V327-Y332 HydrophobicContact CB-CD2 4.03Å; V327-F335 HydrophobicContact CG1-CB 3.78Å; V327-F335 HydrophobicContact CG1-CD1 4.4Å; V327-F335 HydrophobicContact CG1-CD2 4.46Å; V327-F335 HydrophobicContact CG1-CG 3.96Å; V327-F335 HydrophobicContact CG2-CB 4.43Å; V327-F335 HydrophobicContact CG2-CD1 3.5Å; V327-F335 VanDerWaalsContact CG2-CD1 3.5Å; V327-F335 HydrophobicContact CG2-CD2 4.36Å; V327-F335 HydrophobicContact CG2-CE1 3.74Å; V327-F335 HydrophobicContact CG2-CG 3.84Å; V327-F335 HydrophobicContact CG2-CZ 4.27Å; V327-I424 HydrophobicContact CG2-CG2 3.77Å; V327-F425 PolarHBondContact N-O 2.89Å; V327-K426 WeakPolarHBondContact O-CA 3.23Å; V327-F427 WeakPolarHBondContact O-CD1 3.46Å; V327-F427 PolarHBondContact O-N 3.06Å; V327-F427 VanDerWaalsContact O-N 3.11Å
328	Q	98.8	Very high	98.7	Very high	27 Å²	27	35.6 Å²	35.6	13%	0.126	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.6	-177.8	-161.4	167.1	10.6	0	0	110.8	I294 S296 D330 V331 Y332 F427 K428	I294-Q328 PolarHBondContact O-N 2.83Å; S296-Q328 PolarHBondContact OG-OE1 3.15Å; S296-Q328 VanDerWaalsContact OG-OE1 3.14Å; Q328-D330 PolarHBondContact O-N 3.11Å; Q328-V331 PolarHBondContact O-N 2.91Å; Q328-V331 VanDerWaalsContact O-N 3.08Å; Q328-Y332 PolarHBondContact O-N 3.46Å; Q328-Y332 VanDerWaalsContact O-N 3.13Å; Q328-F427 CarbonylContact C-O 3.57Å; Q328-F427 WeakPolarHBondContact CA-O 3.4Å; Q328-F427 HydrophobicContact CB-CE1 3.93Å; Q328-F427 HydrophobicContact CB-CE2 3.99Å; Q328-F427 HydrophobicContact CB-CZ 3.56Å; Q328-F427 HydrophobicContact CG-CD2 4.47Å; Q328-F427 HydrophobicContact CG-CE2 3.89Å; Q328-F427 HydrophobicContact CG-CZ 4Å; Q328-K428 PolarHBondContact NE2-O 3.1Å
329	S	98.4	Very high	98.7	Very high	43 Å²	43	35.3 Å²	35.3	30%	0.301	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-47	-40	-171.8	53.5	0	0	0	0	114.7	V331 Y332 F427	S329-V331 VanDerWaalsContact C-N 3.27Å; S329-V331 PolarHBondContact O-N 2.89Å; S329-Y332 PolarHBondContact O-N 2.82Å; S329-F427 PolarHBondContact N-O 2.97Å
330	D	98.5	Very high	98.7	Very high	127 Å²	127	34.7 Å²	34.7	68%	0.679	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-71.4	-22	-171.3	-57.3	-9.2	0	0	0	113.1	Q328	Q328-D330 PolarHBondContact O-N 3.11Å
331	V	98.7	Very high	98.7	Very high	24 Å²	24	36.4 Å²	36.4	15%	0.145	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-120.2	5	-179.2	-62	0	0	0	0	112.8	L300 V327 Q328 S329 F335	L300-V331 HydrophobicContact CD1-CB 4.33Å; L300-V331 HydrophobicContact CD1-CG2 4.48Å; V327-V331 HydrophobicContact CG1-CG2 3.87Å; Q328-V331 PolarHBondContact O-N 2.91Å; Q328-V331 VanDerWaalsContact O-N 3.08Å; S329-V331 VanDerWaalsContact C-N 3.27Å; S329-V331 PolarHBondContact O-N 2.89Å; V331-F335 VanDerWaalsContact O-CB 3.28Å; V331-F335 WeakPolarHBondContact O-CB 3.27Å; V331-F335 PolarHBondContact O-N 3.37Å
332	Y	98.9	Very high	98.7	Very high	6 Å²	6	37.8 Å²	37.8	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-51.5	-173.1	176.5	-86.6	0	0	0	113.1	V327 Q328 S329 E334 F335 V336 D405 I424 K426	V327-Y332 HydrophobicContact CB-CD2 4.03Å; Q328-Y332 PolarHBondContact O-N 3.46Å; Q328-Y332 VanDerWaalsContact O-N 3.13Å; S329-Y332 PolarHBondContact O-N 2.82Å; Y332-E334 VanDerWaalsContact C-N 3.34Å; Y332-E334 PolarHBondContact O-N 3.22Å; Y332-F335 PolarHBondContact O-N 3.18Å; Y332-V336 HydrophobicContact CD1-CG2 4.06Å; Y332-V336 HydrophobicContact CD2-CG2 4.42Å; Y332-V336 HydrophobicContact CE1-CG2 3.77Å; Y332-V336 HydrophobicContact CE2-CG2 4.07Å; Y332-V336 HydrophobicContact CG-CG2 4.41Å; Y332-V336 VanDerWaalsContact O-CG2 3.31Å; Y332-V336 WeakPolarHBondContact O-CG2 3.17Å; Y332-V336 PolarHBondContact O-N 3.41Å; Y332-D405 WeakPolarHBondContact OH-CA 3.42Å; Y332-D405 PolarHBondContact OH-N 3.4Å; Y332-D405 PolarHBondContact OH-OD1 2.89Å; Y332-I424 HydrophobicContact CD2-CG2 4.4Å; Y332-I424 HydrophobicContact CE2-CG2 3.82Å; Y332-K426 HydrophobicContact CD1-CD 4.44Å; Y332-K426 HydrophobicContact CD2-CB 3.66Å; Y332-K426 HydrophobicContact CD2-CD 4.43Å; Y332-K426 HydrophobicContact CD2-CG 3.9Å; Y332-K426 HydrophobicContact CE2-CB 3.7Å; Y332-K426 HydrophobicContact CE2-CG 4.4Å; Y332-K426 HydrophobicContact CG-CB 4.31Å; Y332-K426 HydrophobicContact CG-CD 4.23Å; Y332-K426 HydrophobicContact CG-CG 4.11Å
333	D	98.7	Very high	98.7	Very high	113 Å²	113	37.9 Å²	37.9	60%	0.604	19%	0.194	S	C	*	.	H	α-helix	trans	-64.7	-42.8	-173.2	-64.3	-28.8	0	0	0	110.5	V336 E337 K426	D333-V336 PolarHBondContact O-N 2.88Å; D333-E337 PolarHBondContact O-N 3.22Å; D333-K426 IonicContact OD1-NZ 2.84Å
334	E	98.7	Very high	98.8	Very high	87 Å²	87	43.9 Å²	43.9	41%	0.407	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-41.6	176.1	-170.2	-177.3	166.9	0	0	112.2	L300 Y332 E337 R338	L300-E334 HydrophobicContact CD2-CB 3.99Å; L300-E334 HydrophobicContact CD2-CG 3.58Å; L300-E334 WeakPolarHBondContact CD2-OE1 3.36Å; Y332-E334 VanDerWaalsContact C-N 3.34Å; Y332-E334 PolarHBondContact O-N 3.22Å; E334-E337 PolarHBondContact O-N 3.28Å; E334-R338 WeakPolarHBondContact O-CB 3.29Å; E334-R338 WeakPolarHBondContact O-CG 2.99Å; E334-R338 PolarHBondContact O-N 3.14Å; E334-R338 IonicContact OE1-CZ 2.86Å; E334-R338 IonicContact OE1-NE 3.73Å; E334-R338 PolarHBondContact OE1-NE 3.07Å; E334-R338 IonicContact OE1-NH2 3.73Å; E334-R338 PolarHBondContact OE1-NH2 3.44Å
335	F	98.9	Very high	98.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-46.5	175.6	-176.1	-86.5	0	0	0	111.6	I294 L300 A303 V304 V325 V327 V331 Y332 R338 S339 I424	I294-F335 HydrophobicContact CD1-CE2 4.41Å; I294-F335 HydrophobicContact CG1-CD2 4.42Å; I294-F335 HydrophobicContact CG1-CE2 3.84Å; I294-F335 HydrophobicContact CG1-CZ 4.14Å; I294-F335 HydrophobicContact CG2-CD2 4.26Å; I294-F335 HydrophobicContact CG2-CE2 4.32Å; L300-F335 HydrophobicContact CD1-CB 4.05Å; L300-F335 HydrophobicContact CD1-CD2 3.7Å; L300-F335 HydrophobicContact CD1-CG 4.37Å; A303-F335 HydrophobicContact CB-CE2 4.34Å; V304-F335 HydrophobicContact CB-CE2 4.4Å; V304-F335 HydrophobicContact CG2-CD2 3.59Å; V304-F335 HydrophobicContact CG2-CE2 3.65Å; V304-F335 HydrophobicContact CG2-CG 4.27Å; V304-F335 HydrophobicContact CG2-CZ 4.37Å; V325-F335 HydrophobicContact CG1-CE1 3.72Å; V325-F335 HydrophobicContact CG1-CZ 3.71Å; V327-F335 HydrophobicContact CG1-CB 3.78Å; V327-F335 HydrophobicContact CG1-CD1 4.4Å; V327-F335 HydrophobicContact CG1-CD2 4.46Å; V327-F335 HydrophobicContact CG1-CG 3.96Å; V327-F335 HydrophobicContact CG2-CB 4.43Å; V327-F335 HydrophobicContact CG2-CD1 3.5Å; V327-F335 VanDerWaalsContact CG2-CD1 3.5Å; V327-F335 HydrophobicContact CG2-CD2 4.36Å; V327-F335 HydrophobicContact CG2-CE1 3.74Å; V327-F335 HydrophobicContact CG2-CG 3.84Å; V327-F335 HydrophobicContact CG2-CZ 4.27Å; V331-F335 VanDerWaalsContact O-CB 3.28Å; V331-F335 WeakPolarHBondContact O-CB 3.27Å; V331-F335 PolarHBondContact O-N 3.37Å; Y332-F335 PolarHBondContact O-N 3.18Å; F335-R338 PolarHBondContact O-N 2.88Å; F335-S339 WeakPolarHBondContact CD1-OG 3.48Å; F335-S339 WeakPolarHBondContact CE1-OG 3.25Å; F335-S339 VanDerWaalsContact O-CB 3.25Å; F335-S339 WeakPolarHBondContact O-CB 3.27Å; F335-S339 PolarHBondContact O-N 3.49Å; F335-S339 PolarHBondContact O-OG 2.69Å; F335-I424 HydrophobicContact CD1-CD1 4.3Å; F335-I424 HydrophobicContact CD1-CG2 4.34Å; F335-I424 HydrophobicContact CE1-CD1 4.13Å; F335-I424 HydrophobicContact CE1-CG2 4.46Å
336	V	98.9	Very high	98.7	Very high	10 Å²	10	53 Å²	53	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-47.3	179.9	170.2	0	0	0	0	110.3	Y332 D333 R338 S339 V340 M385 I424	Y332-V336 HydrophobicContact CD1-CG2 4.06Å; Y332-V336 HydrophobicContact CD2-CG2 4.42Å; Y332-V336 HydrophobicContact CE1-CG2 3.77Å; Y332-V336 HydrophobicContact CE2-CG2 4.07Å; Y332-V336 HydrophobicContact CG-CG2 4.41Å; Y332-V336 VanDerWaalsContact O-CG2 3.31Å; Y332-V336 WeakPolarHBondContact O-CG2 3.17Å; Y332-V336 PolarHBondContact O-N 3.41Å; D333-V336 PolarHBondContact O-N 2.88Å; V336-R338 PolarHBondContact O-N 2.92Å; V336-S339 PolarHBondContact O-N 2.69Å; V336-V340 HydrophobicContact CG1-CG2 4.36Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.41Å; V336-V340 PolarHBondContact O-N 2.6Å; V336-M385 HydrophobicContact CG1-CE 3.72Å; V336-M385 HydrophobicContact CG1-CG 4.36Å; V336-M385 HydrophobicContact CG1-SD 4.47Å; V336-I424 HydrophobicContact CG2-CB 4.45Å; V336-I424 HydrophobicContact CG2-CD1 4.03Å; V336-I424 HydrophobicContact CG2-CG2 3.9Å
337	E	98.8	Very high	98.7	Very high	142 Å²	142	56 Å²	56	66%	0.664	27%	0.273	S	S	*	.	H	α-helix	trans	-56.9	-51.2	178.2	-176.9	-177.5	176.9	0	0	111.7	D333 E334 S339 V340 A341	D333-E337 PolarHBondContact O-N 3.22Å; E334-E337 PolarHBondContact O-N 3.28Å; E337-S339 VanDerWaalsContact C-N 3.31Å; E337-S339 PolarHBondContact O-N 3.31Å; E337-V340 PolarHBondContact O-N 3.15Å; E337-A341 PolarHBondContact O-N 3.05Å
338	R	98.8	Very high	98.7	Very high	103 Å²	103	58 Å²	58	39%	0.389	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-38.5	178.7	-70.1	175.2	179.7	-118.2	5.5	112.1	V304 E334 F335 V336 A341 R342	V304-R338 HydrophobicContact CG1-CB 4.23Å; V304-R338 HydrophobicContact CG2-CB 3.87Å; E334-R338 WeakPolarHBondContact O-CB 3.29Å; E334-R338 WeakPolarHBondContact O-CG 2.99Å; E334-R338 PolarHBondContact O-N 3.14Å; E334-R338 IonicContact OE1-CZ 2.86Å; E334-R338 IonicContact OE1-NE 3.73Å; E334-R338 PolarHBondContact OE1-NE 3.07Å; E334-R338 IonicContact OE1-NH2 3.73Å; E334-R338 PolarHBondContact OE1-NH2 3.44Å; F335-R338 PolarHBondContact O-N 2.88Å; V336-R338 PolarHBondContact O-N 2.92Å; R338-A341 PolarHBondContact O-N 2.92Å; R338-R342 WeakPolarHBondContact O-CB 3.34Å; R338-R342 PolarHBondContact O-N 3.39Å
339	S	98.8	Very high	98.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-42.8	179.4	-59.2	0	0	0	0	111.5	H308 F335 V336 E337 R342 A343	H308-S339 PolarHBondContact CE1-O 2.91Å; H308-S339 VanDerWaalsContact NE2-CA 3.26Å; H308-S339 WeakPolarHBondContact NE2-CA 3.48Å; H308-S339 WeakPolarHBondContact NE2-CB 3.5Å; H308-S339 PolarHBondContact NE2-O 3.09Å; H308-S339 VanDerWaalsContact NE2-O 3.13Å; F335-S339 WeakPolarHBondContact CD1-OG 3.48Å; F335-S339 WeakPolarHBondContact CE1-OG 3.25Å; F335-S339 VanDerWaalsContact O-CB 3.25Å; F335-S339 WeakPolarHBondContact O-CB 3.27Å; F335-S339 PolarHBondContact O-N 3.49Å; F335-S339 PolarHBondContact O-OG 2.69Å; V336-S339 PolarHBondContact O-N 2.69Å; E337-S339 VanDerWaalsContact C-N 3.31Å; E337-S339 PolarHBondContact O-N 3.31Å; S339-R342 PolarHBondContact O-N 2.71Å; S339-A343 WeakPolarHBondContact O-CB 3.5Å; S339-A343 PolarHBondContact O-N 3.24Å
340	V	98.9	Very high	98.7	Very high	18 Å²	18	59.9 Å²	59.9	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-50.2	174.3	171.7	0	0	0	0	110.5	V336 E337 R342 A343 E344 M385 C386 V402	V336-V340 HydrophobicContact CG1-CG2 4.36Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.41Å; V336-V340 PolarHBondContact O-N 2.6Å; E337-V340 PolarHBondContact O-N 3.15Å; V340-R342 PolarHBondContact O-N 2.92Å; V340-A343 PolarHBondContact O-N 2.89Å; V340-A343 VanDerWaalsContact O-N 3.07Å; V340-E344 HydrophobicContact CG1-CG 4.36Å; V340-E344 WeakPolarHBondContact O-CG 3.48Å; V340-E344 PolarHBondContact O-N 2.93Å; V340-M385 HydrophobicContact CG2-CB 3.47Å; V340-M385 VanDerWaalsContact CG2-CB 3.47Å; V340-M385 HydrophobicContact CG2-CE 4.35Å; V340-M385 HydrophobicContact CG2-CG 4.25Å; V340-C386 HydrophobicContact CG1-CB 3.99Å; V340-V402 HydrophobicContact CG2-CG1 4.3Å
341	A	98.8	Very high	98.7	Very high	36 Å²	36	53.9 Å²	53.9	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-30.8	178.4	0	0	0	0	0	113	E337 R338 R345	E337-A341 PolarHBondContact O-N 3.05Å; R338-A341 PolarHBondContact O-N 2.92Å; A341-R345 WeakPolarHBondContact O-CG 3.1Å; A341-R345 PolarHBondContact O-N 3.26Å; A341-R345 PolarHBondContact O-NE 3Å
342	R	98.7	Very high	98.7	Very high	39 Å²	39	53.8 Å²	53.8	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-76.6	-35.9	174.9	177.3	59.3	-176.4	96.9	-6.4	112.5	V304 E305 H308 R338 S339 V340 R346 E357	V304-R342 HydrophobicContact CG1-CB 4.4Å; E305-R342 VanDerWaalsContact OE1-CD 3.26Å; E305-R342 WeakPolarHBondContact OE1-CD 3.42Å; E305-R342 IonicContact OE1-NE 3.63Å; E305-R342 IonicContact OE2-CZ 2.86Å; E305-R342 IonicContact OE2-NE 2.62Å; E305-R342 PolarHBondContact OE2-NE 2.96Å; E305-R342 IonicContact OE2-NH2 2.73Å; H308-R342 HydrophobicContact CB-CG 4.27Å; H308-R342 VanDerWaalsContact ND1-CG 3.29Å; H308-R342 WeakPolarHBondContact ND1-CG 3.5Å; R338-R342 WeakPolarHBondContact O-CB 3.34Å; R338-R342 PolarHBondContact O-N 3.39Å; S339-R342 PolarHBondContact O-N 2.71Å; V340-R342 PolarHBondContact O-N 2.92Å; R342-R346 PolarHBondContact O-N 2.9Å; R342-E357 IonicContact CZ-OE2 2.66Å; R342-E357 IonicContact NH1-OE1 3.52Å; R342-E357 IonicContact NH1-OE2 3.49Å; R342-E357 PolarHBondContact NH1-OE2 2.81Å; R342-E357 VanDerWaalsContact NH1-OE2 3.15Å; R342-E357 IonicContact NH2-OE2 2.96Å; R342-E357 PolarHBondContact NH2-OE2 3.25Å
343	A	98.8	Very high	98.6	Very high	2 Å²	2	57.2 Å²	57.2	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-43.6	176.2	0	0	0	0	0	111.4	H308 F312 S339 V340 R345 R346 P400 V402	H308-A343 PolarHBondContact CE1-N 3.21Å; F312-A343 HydrophobicContact CZ-CB 4.31Å; S339-A343 WeakPolarHBondContact O-CB 3.5Å; S339-A343 PolarHBondContact O-N 3.24Å; V340-A343 PolarHBondContact O-N 2.89Å; V340-A343 VanDerWaalsContact O-N 3.07Å; A343-R345 VanDerWaalsContact C-N 3.26Å; A343-R345 PolarHBondContact O-N 3.23Å; A343-R346 VanDerWaalsContact O-CB 3.25Å; A343-R346 WeakPolarHBondContact O-CB 3.1Å; A343-R346 PolarHBondContact O-N 2.93Å; A343-R346 VanDerWaalsContact O-N 3.11Å; A343-P400 HydrophobicContact CB-CB 4.26Å; A343-V402 HydrophobicContact CB-CG2 3.73Å
344	E	98.5	Very high	98.6	Very high	136 Å²	136	56.8 Å²	56.8	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-65.3	-28.9	178.8	-69.8	177.7	154.5	0	0	113.1	V340 R346 C386	V340-E344 HydrophobicContact CG1-CG 4.36Å; V340-E344 WeakPolarHBondContact O-CG 3.48Å; V340-E344 PolarHBondContact O-N 2.93Å; E344-R346 VanDerWaalsContact C-N 3.34Å; E344-C386 HydrophobicContact CG-CB 3.89Å
345	R	98.2	Very high	98.5	Very high	169 Å²	169	60.2 Å²	60.2	64%	0.638	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.5	175.8	-73.3	-176.9	-68.6	172.5	3.3	113.9	A341 A343 V347	A341-R345 WeakPolarHBondContact O-CG 3.1Å; A341-R345 PolarHBondContact O-N 3.26Å; A341-R345 PolarHBondContact O-NE 3Å; A343-R345 VanDerWaalsContact C-N 3.26Å; A343-R345 PolarHBondContact O-N 3.23Å; R345-V347 PolarHBondContact O-N 2.9Å
346	R	98.5	Very high	98.5	Very high	30 Å²	30	60.8 Å²	60.8	11%	0.113	29%	0.292	C	S	.	.			trans	-70.6	118.4	-177.1	-179.2	172.4	178.8	68.6	1.4	110.2	F312 R342 A343 E344 V348 E357 P400	F312-R346 PolarHBondContact O-NH2 3.07Å; R342-R346 PolarHBondContact O-N 2.9Å; A343-R346 VanDerWaalsContact O-CB 3.25Å; A343-R346 WeakPolarHBondContact O-CB 3.1Å; A343-R346 PolarHBondContact O-N 2.93Å; A343-R346 VanDerWaalsContact O-N 3.11Å; E344-R346 VanDerWaalsContact C-N 3.34Å; R346-V348 PolarHBondContact O-N 2.98Å; R346-E357 WeakPolarHBondContact CA-OE1 3.48Å; R346-E357 HydrophobicContact CG-CB 4.04Å; R346-E357 IonicContact NH1-OE2 2.77Å; R346-E357 PolarHBondContact NH1-OE2 3.28Å; R346-E357 PolarHBondContact NH2-O 2.98Å; R346-P400 HydrophobicContact CB-CG 4.02Å; R346-P400 HydrophobicContact CG-CG 4.16Å
347	V	98.7	Very high	98.5	Very high	64 Å²	64	63.1 Å²	63.1	39%	0.388	30%	0.303	S	S	.	.			trans	-74.8	115.4	-177	-175.7	0	0	0	0	110.7	R345 K355 E357 Q358	R345-V347 PolarHBondContact O-N 2.9Å; V347-K355 WeakPolarHBondContact CB-O 3.32Å; V347-E357 PolarHBondContact N-OE1 3.37Å; V347-E357 PolarHBondContact O-N 3.15Å; V347-Q358 PolarHBondContact O-N 3.13Å
348	V	98.9	Very high	98.5	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.248	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-101.7	129.8	171.1	-174.2	0	0	0	0	108.9	R346 Q358 A391 F397 P400	R346-V348 PolarHBondContact O-N 2.98Å; V348-Q358 WeakPolarHBondContact CA-O 3.4Å; V348-Q358 HydrophobicContact CG2-CB 4.15Å; V348-Q358 HydrophobicContact CG2-CG 4.4Å; V348-A391 HydrophobicContact CG1-CB 4Å; V348-F397 HydrophobicContact CG1-CB 4.16Å; V348-F397 HydrophobicContact CG1-CD1 3.72Å; V348-F397 HydrophobicContact CG1-CG 4.37Å; V348-P400 HydrophobicContact CG2-CG 3.85Å
349	G	98.4	Very high	98.5	Very high	21 Å²	21	51.4 Å²	51.4	22%	0.216	25%	0.253	C	S	.	.	S	Bend	trans	176.6	-164.6	-177.6	0	0	0	0	0	114	T356 Q358 F397	G349-T356 WeakPolarHBondContact O-CG2 3.29Å; G349-Q358 PolarHBondContact N-O 3.43Å; G349-F397 WeakPolarHBondContact O-CE1 2.94Å
350	D	98.5	Very high	98.5	Very high	90 Å²	90	51.4 Å²	51.4	48%	0.481	25%	0.253	S	S	.	.			trans	-53.2	121	176.4	-177.6	-12.4	0	0	0	110.1	F352 D353 T356	D350-F352 PolarHBondContact O-N 3.45Å; D350-F352 VanDerWaalsContact O-N 3.14Å; D350-F352 PolarHBondContact OD1-N 3.07Å; D350-D353 PolarHBondContact O-N 2.95Å; D350-T356 VanDerWaalsContact O-CB 3.26Å; D350-T356 WeakPolarHBondContact O-CB 3.26Å; D350-T356 PolarHBondContact O-OG1 3.3Å
351	P	98.6	Very high	98.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12	-177.1	29.8	-37.6	0	0	0	114	S60 T124 G128 P130 Y131	S60-P351 WeakPolarHBondContact OG-CD 3.44Å; S60-P351 WeakPolarHBondContact OG-CG 3.43Å; T124-P351 HydrophobicContact CG2-CB 3.71Å; T124-P351 HydrophobicContact CG2-CG 3.8Å; G128-P351 WeakPolarHBondContact O-CB 3.38Å; P130-P351 CarbonylContact C-O 3.58Å; P130-P351 WeakPolarHBondContact CA-O 3.07Å; Y131-P351 PolarHBondContact N-O 3.21Å
352	F	98.5	Very high	98.5	Very high	21 Å²	21	49.1 Å²	49.1	9%	0.092	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.9	171.6	-70.8	-77.2	0	0	0	113.8	P28 S29 A30 E121 T124 L125 D350	P28-F352 HydrophobicContact CB-CD1 3.81Å; P28-F352 HydrophobicContact CB-CE1 4.17Å; P28-F352 HydrophobicContact CG-CD1 3.94Å; S29-F352 WeakPolarHBondContact O-CE1 3.48Å; A30-F352 HydrophobicContact CB-CB 4.32Å; A30-F352 HydrophobicContact CB-CD1 4.36Å; A30-F352 HydrophobicContact CB-CD2 3.86Å; A30-F352 HydrophobicContact CB-CE2 4.2Å; A30-F352 HydrophobicContact CB-CG 3.93Å; E121-F352 HydrophobicContact CB-CE1 4.37Å; T124-F352 HydrophobicContact CG2-CD1 4.11Å; T124-F352 HydrophobicContact CG2-CD2 4.02Å; T124-F352 HydrophobicContact CG2-CE1 3.82Å; T124-F352 HydrophobicContact CG2-CE2 3.72Å; T124-F352 HydrophobicContact CG2-CG 4.22Å; T124-F352 HydrophobicContact CG2-CZ 3.61Å; L125-F352 HydrophobicContact CB-CZ 4.38Å; D350-F352 PolarHBondContact O-N 3.45Å; D350-F352 VanDerWaalsContact O-N 3.14Å; D350-F352 PolarHBondContact OD1-N 3.07Å
353	D	98.1	Very high	98.5	Very high	79 Å²	79	48.4 Å²	48.4	42%	0.422	23%	0.234	S	C	.	.	S	Bend	trans	-74.9	125.4	169.7	-173	-21	0	0	0	110	D350 K355 T356	D350-D353 PolarHBondContact O-N 2.95Å; D353-K355 PolarHBondContact O-N 3.35Å; D353-K355 VanDerWaalsContact O-N 3.08Å; D353-K355 WeakPolarHBondContact OD1-CB 3.25Å; D353-K355 PolarHBondContact OD1-N 2.78Å; D353-T356 VanDerWaalsContact O-CB 3.3Å; D353-T356 WeakPolarHBondContact O-CB 3.48Å; D353-T356 PolarHBondContact O-N 3.36Å
354	F	97.1	Very high	98.5	Very high	103 Å²	103	52.4 Å²	52.4	45%	0.452	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.4	179.4	-77	-110.7	0	0	0	113.9	V25 P28 Y131 V132	V25-F354 HydrophobicContact CB-CE1 3.94Å; V25-F354 HydrophobicContact CG1-CE1 3.66Å; V25-F354 HydrophobicContact CG1-CZ 4.12Å; P28-F354 VanDerWaalsContact CD-CE2 3.49Å; P28-F354 HydrophobicContact CG-CE2 4.14Å; Y131-F354 HydrophobicContact CE1-CZ 4.45Å; V132-F354 HydrophobicContact CG2-CB 4.46Å; V132-F354 HydrophobicContact CG2-CD1 3.76Å; V132-F354 HydrophobicContact CG2-CE1 4.25Å; V132-F354 HydrophobicContact CG2-CG 4.17Å
355	K	97.6	Very high	98.5	Very high	159 Å²	159	52.4 Å²	52.4	69%	0.691	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.8	175.2	-63.8	177.9	-176.8	173.3	0	113	V347 D353 E357	V347-K355 WeakPolarHBondContact CB-O 3.32Å; D353-K355 PolarHBondContact O-N 3.35Å; D353-K355 VanDerWaalsContact O-N 3.08Å; D353-K355 WeakPolarHBondContact OD1-CB 3.25Å; D353-K355 PolarHBondContact OD1-N 2.78Å; K355-E357 PolarHBondContact O-N 3.18Å
356	T	98.6	Very high	98.5	Very high	12 Å²	12	45.4 Å²	45.4	7%	0.074	23%	0.227	C	C	.	.			trans	-69.5	123.9	-176.4	-66.2	0	0	0	0	110.5	P130 G349 D350 D353 Q358	P130-T356 HydrophobicContact CG-CG2 4.25Å; G349-T356 WeakPolarHBondContact O-CG2 3.29Å; D350-T356 VanDerWaalsContact O-CB 3.26Å; D350-T356 WeakPolarHBondContact O-CB 3.26Å; D350-T356 PolarHBondContact O-OG1 3.3Å; D353-T356 VanDerWaalsContact O-CB 3.3Å; D353-T356 WeakPolarHBondContact O-CB 3.48Å; D353-T356 PolarHBondContact O-N 3.36Å; T356-Q358 VanDerWaalsContact CG2-O 3.29Å; T356-Q358 WeakPolarHBondContact CG2-O 3.4Å
357	E	98.6	Very high	98.5	Very high	59 Å²	59	44.9 Å²	44.9	28%	0.276	23%	0.225	S	C	.	.	S	Bend	trans	-95.1	-21.2	172.8	-65.2	179.7	-109.6	0	0	112.3	R342 R346 V347 K355	R342-E357 IonicContact CZ-OE2 2.66Å; R342-E357 IonicContact NH1-OE1 3.52Å; R342-E357 IonicContact NH1-OE2 3.49Å; R342-E357 PolarHBondContact NH1-OE2 2.81Å; R342-E357 VanDerWaalsContact NH1-OE2 3.15Å; R342-E357 IonicContact NH2-OE2 2.96Å; R342-E357 PolarHBondContact NH2-OE2 3.25Å; R346-E357 WeakPolarHBondContact CA-OE1 3.48Å; R346-E357 HydrophobicContact CG-CB 4.04Å; R346-E357 IonicContact NH1-OE2 2.77Å; R346-E357 PolarHBondContact NH1-OE2 3.28Å; R346-E357 PolarHBondContact NH2-O 2.98Å; V347-E357 PolarHBondContact N-OE1 3.37Å; V347-E357 PolarHBondContact O-N 3.15Å; K355-E357 PolarHBondContact O-N 3.18Å
358	Q	98.8	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-141.8	117.9	-174.9	-174.2	173.2	-66.1	0	0	111.4	Q315 V347 V348 G349 T356 I398	Q315-Q358 HydrophobicContact CB-CG 4.36Å; Q315-Q358 HydrophobicContact CG-CG 3.91Å; V347-Q358 PolarHBondContact O-N 3.13Å; V348-Q358 WeakPolarHBondContact CA-O 3.4Å; V348-Q358 HydrophobicContact CG2-CB 4.15Å; V348-Q358 HydrophobicContact CG2-CG 4.4Å; G349-Q358 PolarHBondContact N-O 3.43Å; T356-Q358 VanDerWaalsContact CG2-O 3.29Å; T356-Q358 WeakPolarHBondContact CG2-O 3.4Å; Q358-I398 PolarHBondContact NE2-O 3.24Å
359	G	98.8	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.			trans	-84.6	-164.6	169.7	0	0	0	0	0	113.6	G128 Q315	G128-G359 WeakPolarHBondContact O-CA 3.42Å; Q315-G359 VanDerWaalsContact CG-O 3.26Å; Q315-G359 WeakPolarHBondContact CG-O 3.47Å
360	P	98.9	Very high	98.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.			trans	-75.5	166.9	176.3	36.1	-40.8	0	0	0	112.5	P59 S60 G128 Q315 Y396 F397	P59-P360 HydrophobicContact CB-CB 4.12Å; P59-P360 HydrophobicContact CB-CG 3.65Å; P59-P360 HydrophobicContact CG-CG 3.8Å; P59-P360 WeakPolarHBondContact O-CB 3.47Å; S60-P360 WeakPolarHBondContact OG-CG 3.45Å; G128-P360 WeakPolarHBondContact O-CD 3.48Å; Q315-P360 WeakPolarHBondContact CG-O 3.43Å; P360-Y396 WeakPolarHBondContact CA-O 3.26Å; P360-F397 HydrophobicContact CB-CD1 3.96Å; P360-F397 HydrophobicContact CB-CD2 4.16Å; P360-F397 HydrophobicContact CB-CE1 3.86Å; P360-F397 HydrophobicContact CB-CE2 4.07Å; P360-F397 HydrophobicContact CB-CG 4.12Å; P360-F397 HydrophobicContact CB-CZ 3.92Å; P360-F397 HydrophobicContact CG-CE1 4.12Å; P360-F397 HydrophobicContact CG-CZ 4.07Å; P360-F397 VanDerWaalsContact N-CE1 3.31Å
361	Q	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.			trans	-69.5	155.2	163.7	-50.6	-48.7	-79.2	0	0	109.9	P59 Q315 D363 I370 Y396 I398	P59-Q361 WeakPolarHBondContact CB-O 3.31Å; Q315-Q361 PolarHBondContact O-OE1 2.87Å; Q361-D363 VanDerWaalsContact C-N 3.32Å; Q361-D363 PolarHBondContact O-N 2.78Å; Q361-I370 HydrophobicContact CB-CD1 4.46Å; Q361-I370 HydrophobicContact CG-CD1 3.71Å; Q361-Y396 WeakPolarHBondContact CG-O 3.21Å; Q361-Y396 PolarHBondContact N-O 3.29Å; Q361-Y396 WeakPolarHBondContact O-CB 3.43Å; Q361-Y396 WeakPolarHBondContact O-CD2 3.41Å; Q361-I398 HydrophobicContact CG-CD1 3.82Å; Q361-I398 HydrophobicContact CG-CG1 4.14Å
362	V	98.8	Very high	98.6	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.03	23%	0.232	C	C	.	.	S	Bend	trans	-61.7	-34.1	-170	74.3	0	0	0	0	114.5	P59 W185 Q213 T214 Q366	P59-V362 WeakPolarHBondContact CB-O 3.26Å; W185-V362 HydrophobicContact CB-CG2 4.33Å; W185-V362 HydrophobicContact CD2-CB 4.1Å; W185-V362 HydrophobicContact CD2-CG1 3.66Å; W185-V362 HydrophobicContact CD2-CG2 4.02Å; W185-V362 HydrophobicContact CE3-CB 3.52Å; W185-V362 HydrophobicContact CE3-CG1 3.52Å; W185-V362 HydrophobicContact CE3-CG2 3.62Å; W185-V362 HydrophobicContact CG-CG1 4.42Å; W185-V362 HydrophobicContact CG-CG2 4.32Å; W185-V362 HydrophobicContact CH2-CB 4.12Å; W185-V362 HydrophobicContact CH2-CG1 3.53Å; W185-V362 HydrophobicContact CZ2-CG1 3.7Å; W185-V362 HydrophobicContact CZ3-CB 3.55Å; W185-V362 HydrophobicContact CZ3-CG1 3.47Å; W185-V362 VanDerWaalsContact CZ3-CG1 3.47Å; W185-V362 HydrophobicContact CZ3-CG2 4.19Å; Q213-V362 HydrophobicContact CB-CG2 3.8Å; Q213-V362 HydrophobicContact CG-CG1 4.43Å; Q213-V362 HydrophobicContact CG-CG2 4.28Å; T214-V362 HydrophobicContact CG2-CG2 4.04Å; V362-Q366 HydrophobicContact CG1-CB 4.35Å; V362-Q366 HydrophobicContact CG1-CG 3.87Å
363	D	98.6	Very high	98.6	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.134	23%	0.233	C	C	.	.	S	Bend	trans	-155.1	173.8	-177.2	68.4	23	0	0	0	112.3	Q213 Q361 E365 Q366 F367	Q213-D363 HydrophobicContact CG-CB 4.38Å; Q213-D363 VanDerWaalsContact CG-OD2 3.31Å; Q213-D363 WeakPolarHBondContact CG-OD2 3.25Å; Q213-D363 PolarHBondContact NE2-OD2 2.81Å; Q213-D363 VanDerWaalsContact NE2-OD2 3.17Å; Q361-D363 VanDerWaalsContact C-N 3.32Å; Q361-D363 PolarHBondContact O-N 2.78Å; D363-E365 VanDerWaalsContact C-N 3.29Å; D363-E365 PolarHBondContact O-N 3.22Å; D363-E365 PolarHBondContact OD1-N 3.28Å; D363-Q366 WeakPolarHBondContact OD1-CG 3.4Å; D363-Q366 PolarHBondContact OD1-N 3.01Å; D363-F367 WeakPolarHBondContact O-CB 3.27Å; D363-F367 PolarHBondContact O-N 3.18Å
364	Q	98.5	Very high	98.6	Very high	85 Å²	85	43.5 Å²	43.5	40%	0.397	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-31.1	179.9	-175.5	61.9	79.6	0	0	112.8	F367 N368 Y396	Q364-F367 VanDerWaalsContact NE2-CD1 3.34Å; Q364-N368 PolarHBondContact NE2-ND2 3.23Å; Q364-N368 PolarHBondContact NE2-OD1 2.83Å; Q364-N368 WeakPolarHBondContact O-CB 3.33Å; Q364-N368 PolarHBondContact O-N 3.22Å; Q364-N368 PolarHBondContact O-ND2 2.83Å; Q364-N368 VanDerWaalsContact O-ND2 3.17Å; Q364-Y396 HydrophobicContact CB-CE1 3.83Å; Q364-Y396 HydrophobicContact CG-CE1 4.43Å
365	E	98.5	Very high	98.7	Very high	137 Å²	137	41.9 Å²	41.9	64%	0.64	22%	0.215	S	C	*	.	H	α-helix	trans	-69.3	-50.4	-179.5	-173.6	-176.1	151.3	0	0	110.4	D363 F367 N368 K369	D363-E365 VanDerWaalsContact C-N 3.29Å; D363-E365 PolarHBondContact O-N 3.22Å; D363-E365 PolarHBondContact OD1-N 3.28Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-F367 PolarHBondContact O-N 2.94Å; E365-N368 PolarHBondContact O-N 2.86Å; E365-K369 WeakPolarHBondContact O-CB 3.44Å; E365-K369 PolarHBondContact O-N 2.87Å
366	Q	98.8	Very high	98.7	Very high	21 Å²	21	34.5 Å²	34.5	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-43.5	174.8	-69.6	-54	-42.2	0	0	111.4	W185 V362 D363 N368 K369 I370	W185-Q366 HydrophobicContact CH2-CG 4.04Å; W185-Q366 HydrophobicContact CZ2-CG 3.69Å; V362-Q366 HydrophobicContact CG1-CB 4.35Å; V362-Q366 HydrophobicContact CG1-CG 3.87Å; D363-Q366 WeakPolarHBondContact OD1-CG 3.4Å; D363-Q366 PolarHBondContact OD1-N 3.01Å; Q366-N368 VanDerWaalsContact C-N 3.35Å; Q366-N368 PolarHBondContact O-N 3.21Å; Q366-K369 PolarHBondContact O-N 2.75Å; Q366-I370 WeakPolarHBondContact O-CD1 3.29Å; Q366-I370 VanDerWaalsContact O-CG1 3.25Å; Q366-I370 WeakPolarHBondContact O-CG1 3.41Å; Q366-I370 PolarHBondContact O-N 2.89Å
367	F	98.8	Very high	98.7	Very high	20 Å²	20	34 Å²	34	9%	0.088	18%	0.18	C	C	.	.	H	α-helix	trans	-53.6	-51.2	175.8	-179.1	-98.5	0	0	0	112.2	D363 Q364 E365 I370 L371 V390 Y396 I398	D363-F367 WeakPolarHBondContact O-CB 3.27Å; D363-F367 PolarHBondContact O-N 3.18Å; Q364-F367 VanDerWaalsContact NE2-CD1 3.34Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-F367 PolarHBondContact O-N 2.94Å; F367-I370 PolarHBondContact O-N 3.04Å; F367-L371 HydrophobicContact CD1-CD1 3.87Å; F367-L371 HydrophobicContact CE1-CD1 3.42Å; F367-L371 VanDerWaalsContact CE1-CD1 3.42Å; F367-L371 HydrophobicContact CE1-CG 4.48Å; F367-L371 HydrophobicContact CE2-CD1 4.41Å; F367-L371 HydrophobicContact CZ-CD1 3.75Å; F367-L371 WeakPolarHBondContact O-CG 3.48Å; F367-L371 PolarHBondContact O-N 2.84Å; F367-L371 VanDerWaalsContact O-N 3.1Å; F367-V390 HydrophobicContact CE1-CG2 4.36Å; F367-V390 HydrophobicContact CE2-CG1 4.32Å; F367-V390 HydrophobicContact CE2-CG2 4.41Å; F367-V390 HydrophobicContact CZ-CB 4.32Å; F367-V390 HydrophobicContact CZ-CG1 3.88Å; F367-V390 HydrophobicContact CZ-CG2 3.61Å; F367-Y396 HydrophobicContact CB-CD1 4.38Å; F367-Y396 HydrophobicContact CB-CG 4.4Å; F367-Y396 VanDerWaalsContact CD2-C 3.49Å; F367-Y396 HydrophobicContact CG-CD1 4.41Å; F367-I398 HydrophobicContact CD2-CD1 3.78Å; F367-I398 HydrophobicContact CD2-CG1 3.57Å; F367-I398 HydrophobicContact CE2-CD1 4.2Å; F367-I398 HydrophobicContact CE2-CG1 3.57Å; F367-I398 HydrophobicContact CG-CD1 4.44Å
368	N	98.8	Very high	98.7	Very high	89 Å²	89	35.8 Å²	35.8	48%	0.476	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-40.7	179.3	-71.9	-24.4	0	0	0	112	Q364 E365 Q366 I370 L371 G372	Q364-N368 PolarHBondContact NE2-ND2 3.23Å; Q364-N368 PolarHBondContact NE2-OD1 2.83Å; Q364-N368 WeakPolarHBondContact O-CB 3.33Å; Q364-N368 PolarHBondContact O-N 3.22Å; Q364-N368 PolarHBondContact O-ND2 2.83Å; Q364-N368 VanDerWaalsContact O-ND2 3.17Å; E365-N368 PolarHBondContact O-N 2.86Å; Q366-N368 VanDerWaalsContact C-N 3.35Å; Q366-N368 PolarHBondContact O-N 3.21Å; N368-I370 PolarHBondContact O-N 3.1Å; N368-L371 PolarHBondContact O-N 3.31Å; N368-G372 PolarHBondContact O-N 2.82Å
369	K	98.7	Very high	98.7	Very high	93 Å²	93	45.1 Å²	45.1	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-46.3	177.7	-175.9	176.7	-179.9	177.9	0	111.5	E365 Q366 G372 Y373	E365-K369 WeakPolarHBondContact O-CB 3.44Å; E365-K369 PolarHBondContact O-N 2.87Å; Q366-K369 PolarHBondContact O-N 2.75Å; K369-G372 WeakPolarHBondContact O-CA 3.27Å; K369-G372 PolarHBondContact O-N 3.49Å; K369-Y373 HydrophobicContact CD-CE2 4.3Å; K369-Y373 HydrophobicContact CG-CD2 4.14Å; K369-Y373 HydrophobicContact CG-CE2 3.76Å; K369-Y373 WeakPolarHBondContact O-CD2 3.28Å; K369-Y373 PolarHBondContact O-N 2.82Å
370	I	98.9	Very high	98.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-44.4	179.7	-65.6	157.5	0	0	0	111.1	Q361 Q366 F367 N368 G372 Y373 I374 I398 I417 V421	Q361-I370 HydrophobicContact CB-CD1 4.46Å; Q361-I370 HydrophobicContact CG-CD1 3.71Å; Q366-I370 WeakPolarHBondContact O-CD1 3.29Å; Q366-I370 VanDerWaalsContact O-CG1 3.25Å; Q366-I370 WeakPolarHBondContact O-CG1 3.41Å; Q366-I370 PolarHBondContact O-N 2.89Å; F367-I370 PolarHBondContact O-N 3.04Å; N368-I370 PolarHBondContact O-N 3.1Å; I370-G372 PolarHBondContact O-N 2.84Å; I370-Y373 PolarHBondContact O-N 3.23Å; I370-Y373 VanDerWaalsContact O-N 3.1Å; I370-I374 HydrophobicContact CG2-CD1 4.1Å; I370-I374 WeakPolarHBondContact O-CG1 3.41Å; I370-I374 PolarHBondContact O-N 2.72Å; I370-I398 HydrophobicContact CB-CD1 3.62Å; I370-I398 HydrophobicContact CD1-CD1 4.15Å; I370-I398 HydrophobicContact CG2-CD1 3.49Å; I370-I398 VanDerWaalsContact CG2-CD1 3.49Å; I370-I398 HydrophobicContact CG2-CG2 4.36Å; I370-I417 HydrophobicContact CG1-CG2 4.23Å; I370-I417 HydrophobicContact CG2-CG2 4.2Å; I370-V421 HydrophobicContact CG2-CG2 3.83Å
371	L	98.8	Very high	98.6	Very high	37 Å²	37	51 Å²	51	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-34.7	174.2	-68.6	178.6	0	0	0	112.1	F367 N368 I374 S375 V390 I398	F367-L371 HydrophobicContact CD1-CD1 3.87Å; F367-L371 HydrophobicContact CE1-CD1 3.42Å; F367-L371 VanDerWaalsContact CE1-CD1 3.42Å; F367-L371 HydrophobicContact CE1-CG 4.48Å; F367-L371 HydrophobicContact CE2-CD1 4.41Å; F367-L371 HydrophobicContact CZ-CD1 3.75Å; F367-L371 WeakPolarHBondContact O-CG 3.48Å; F367-L371 PolarHBondContact O-N 2.84Å; F367-L371 VanDerWaalsContact O-N 3.1Å; N368-L371 PolarHBondContact O-N 3.31Å; L371-I374 HydrophobicContact CD2-CD1 4.32Å; L371-I374 PolarHBondContact O-N 3.35Å; L371-S375 WeakPolarHBondContact O-CB 3.18Å; L371-S375 PolarHBondContact O-N 3.41Å; L371-S375 PolarHBondContact O-OG 3.07Å; L371-V390 HydrophobicContact CD1-CG2 3.96Å; L371-V390 HydrophobicContact CD2-CG2 4.29Å; L371-I398 HydrophobicContact CD2-CD1 4.3Å; L371-I398 HydrophobicContact CD2-CG1 4.41Å; L371-I398 HydrophobicContact CG-CD1 4.22Å
372	G	98.8	Very high	98.6	Very high	40 Å²	40	51.3 Å²	51.3	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-47.2	170.6	0	0	0	0	0	112.7	N368 K369 I370 S375 S376	N368-G372 PolarHBondContact O-N 2.82Å; K369-G372 WeakPolarHBondContact O-CA 3.27Å; K369-G372 PolarHBondContact O-N 3.49Å; I370-G372 PolarHBondContact O-N 2.84Å; G372-S375 WeakPolarHBondContact O-CB 3.35Å; G372-S375 PolarHBondContact O-N 2.98Å; G372-S376 PolarHBondContact O-N 3.43Å
373	Y	98.9	Very high	98.6	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-41.5	175.6	-78.1	-59.5	0	0	0	113	K369 I370 S375 S376 G377 I411 I412 E415 I417	K369-Y373 HydrophobicContact CD-CE2 4.3Å; K369-Y373 HydrophobicContact CG-CD2 4.14Å; K369-Y373 HydrophobicContact CG-CE2 3.76Å; K369-Y373 WeakPolarHBondContact O-CD2 3.28Å; K369-Y373 PolarHBondContact O-N 2.82Å; I370-Y373 PolarHBondContact O-N 3.23Å; I370-Y373 VanDerWaalsContact O-N 3.1Å; Y373-S375 PolarHBondContact O-N 3.37Å; Y373-S376 PolarHBondContact O-N 3Å; Y373-G377 PolarHBondContact O-N 2.85Å; Y373-I411 HydrophobicContact CD1-CG2 3.86Å; Y373-I411 HydrophobicContact CE1-CG2 3.62Å; Y373-I412 VanDerWaalsContact O-CG2 3.25Å; Y373-I412 WeakPolarHBondContact O-CG2 3.34Å; Y373-E415 HydrophobicContact CE1-CB 3.83Å; Y373-E415 VanDerWaalsContact CE1-OE2 3.25Å; Y373-E415 WeakPolarHBondContact CE1-OE2 3.36Å; Y373-E415 PolarHBondContact OH-OE2 3.18Å; Y373-I417 HydrophobicContact CD1-CG1 4.27Å; Y373-I417 HydrophobicContact CD2-CB 4.08Å; Y373-I417 HydrophobicContact CD2-CG1 4.02Å; Y373-I417 HydrophobicContact CD2-CG2 3.84Å; Y373-I417 HydrophobicContact CG-CB 4.39Å; Y373-I417 HydrophobicContact CG-CG1 3.87Å; Y373-I417 HydrophobicContact CG-CG2 4.18Å
374	I	98.9	Very high	98.6	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-42.1	174.3	-68.2	168.6	0	0	0	110.2	I370 L371 G377 K378 G388 I398 T401 F403 V421	I370-I374 HydrophobicContact CG2-CD1 4.1Å; I370-I374 WeakPolarHBondContact O-CG1 3.41Å; I370-I374 PolarHBondContact O-N 2.72Å; L371-I374 HydrophobicContact CD2-CD1 4.32Å; L371-I374 PolarHBondContact O-N 3.35Å; I374-G377 PolarHBondContact O-N 3.33Å; I374-K378 WeakPolarHBondContact O-CG 3.32Å; I374-K378 PolarHBondContact O-N 2.83Å; I374-G388 WeakPolarHBondContact CG2-O 3.31Å; I374-I398 HydrophobicContact CD1-CG2 3.89Å; I374-T401 HydrophobicContact CG1-CG2 4.39Å; I374-F403 HydrophobicContact CG2-CE2 4.49Å; I374-F403 HydrophobicContact CG2-CZ 4.36Å; I374-V421 HydrophobicContact CD1-CG2 3.95Å; I374-V421 HydrophobicContact CG1-CG1 4.28Å; I374-V421 HydrophobicContact CG1-CG2 3.73Å
375	S	98.7	Very high	98.6	Very high	69 Å²	69	57 Å²	57	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-40.7	177.6	-58.1	0	0	0	0	112.4	L371 G372 Y373 K378 R379	L371-S375 WeakPolarHBondContact O-CB 3.18Å; L371-S375 PolarHBondContact O-N 3.41Å; L371-S375 PolarHBondContact O-OG 3.07Å; G372-S375 WeakPolarHBondContact O-CB 3.35Å; G372-S375 PolarHBondContact O-N 2.98Å; Y373-S375 PolarHBondContact O-N 3.37Å; S375-K378 PolarHBondContact O-N 2.96Å; S375-R379 WeakPolarHBondContact O-CB 3.5Å; S375-R379 PolarHBondContact O-N 3.48Å; S375-R379 VanDerWaalsContact O-N 3.09Å
376	S	98.6	Very high	98.6	Very high	5 Å²	5	51.1 Å²	51.1	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-44.8	173.3	149.9	0	0	0	0	111.7	G372 Y373 K378 R379 E380 I411	G372-S376 PolarHBondContact O-N 3.43Å; Y373-S376 PolarHBondContact O-N 3Å; S376-K378 PolarHBondContact O-N 2.97Å; S376-R379 PolarHBondContact O-N 2.74Å; S376-R379 VanDerWaalsContact O-N 3.08Å; S376-E380 WeakPolarHBondContact O-CB 3.41Å; S376-E380 PolarHBondContact O-N 2.9Å; S376-E380 PolarHBondContact OG-OE1 3.47Å; S376-I411 WeakPolarHBondContact OG-CB 3.09Å
377	G	98.6	Very high	98.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.2	-47.6	176.6	0	0	0	0	0	112.9	Y373 I374 R379 E380 G381 A382	Y373-G377 PolarHBondContact O-N 2.85Å; I374-G377 PolarHBondContact O-N 3.33Å; G377-R379 PolarHBondContact O-N 3.47Å; G377-E380 PolarHBondContact O-N 3.39Å; G377-G381 PolarHBondContact O-N 2.87Å; G377-A382 WeakPolarHBondContact O-CB 3.36Å; G377-A382 PolarHBondContact O-N 3.24Å
378	K	98.4	Very high	98.6	Very high	98 Å²	98	51 Å²	51	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-44.9	174.8	-68.3	169.9	-178.5	172.5	0	111.9	I374 S375 S376 G381 L384 G388 F403	I374-K378 WeakPolarHBondContact O-CG 3.32Å; I374-K378 PolarHBondContact O-N 2.83Å; S375-K378 PolarHBondContact O-N 2.96Å; S376-K378 PolarHBondContact O-N 2.97Å; K378-G381 PolarHBondContact O-N 3.09Å; K378-L384 VanDerWaalsContact CE-CD2 3.46Å; K378-G388 PolarHBondContact NZ-O 3.47Å; K378-F403 HydrophobicContact CG-CE1 4.11Å; K378-F403 HydrophobicContact CG-CZ 4.06Å
379	R	98.4	Very high	98.6	Very high	195 Å²	195	47.8 Å²	47.8	74%	0.736	27%	0.266	S	S	*	.	H	α-helix	trans	-69.2	-33.1	-176.6	-179.5	175.6	55.7	-166.8	-5.8	113.1	S375 S376 G377 G381	S375-R379 WeakPolarHBondContact O-CB 3.5Å; S375-R379 PolarHBondContact O-N 3.48Å; S375-R379 VanDerWaalsContact O-N 3.09Å; S376-R379 PolarHBondContact O-N 2.74Å; S376-R379 VanDerWaalsContact O-N 3.08Å; G377-R379 PolarHBondContact O-N 3.47Å; R379-G381 PolarHBondContact O-N 2.69Å
380	E	98.3	Very high	98.6	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.8	179.5	-72.9	163.9	-144.7	0	0	113.3	S376 G377 M410 I411	S376-E380 WeakPolarHBondContact O-CB 3.41Å; S376-E380 PolarHBondContact O-N 2.9Å; S376-E380 PolarHBondContact OG-OE1 3.47Å; G377-E380 PolarHBondContact O-N 3.39Å; E380-M410 HydrophobicContact CB-CG 4.22Å; E380-M410 WeakPolarHBondContact OE2-CA 3.47Å; E380-M410 WeakPolarHBondContact OE2-CB 3.48Å; E380-I411 WeakPolarHBondContact OE1-CD1 3.35Å; E380-I411 VanDerWaalsContact OE1-CG1 3.24Å; E380-I411 WeakPolarHBondContact OE1-CG1 3.34Å; E380-I411 PolarHBondContact OE2-N 3.14Å
381	G	97.8	Very high	98.5	Very high	59 Å²	59	48.6 Å²	48.6	61%	0.608	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	12.3	173.2	0	0	0	0	0	114.8	G377 K378 R379	G377-G381 PolarHBondContact O-N 2.87Å; K378-G381 PolarHBondContact O-N 3.09Å; R379-G381 PolarHBondContact O-N 2.69Å
382	A	98.4	Very high	98.5	Very high	8 Å²	8	48.7 Å²	48.7	7%	0.066	29%	0.289	C	S	.	.			trans	-65.3	138.3	168.8	0	0	0	0	0	109.9	G377 L384 F403 V406 M410 I412	G377-A382 WeakPolarHBondContact O-CB 3.36Å; G377-A382 PolarHBondContact O-N 3.24Å; A382-L384 PolarHBondContact O-N 3.05Å; A382-F403 HydrophobicContact CB-CB 4.21Å; A382-F403 HydrophobicContact CB-CD1 3.52Å; A382-F403 HydrophobicContact CB-CE1 4.14Å; A382-F403 HydrophobicContact CB-CG 4.07Å; A382-V406 HydrophobicContact CB-CG2 4.34Å; A382-M410 HydrophobicContact CB-CE 4.22Å; A382-M410 HydrophobicContact CB-SD 3.79Å; A382-I412 HydrophobicContact CB-CD1 3.75Å
383	K	98.6	Very high	98.3	Very high	114 Å²	114	55.6 Å²	55.6	50%	0.496	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	108	-176.9	-170.8	-179.7	175.1	-174.3	0	109.8	M385 F403 G404 D405	K383-M385 HydrophobicContact CB-SD 4.28Å; K383-M385 HydrophobicContact CD-SD 3.54Å; K383-M385 VanDerWaalsContact CD-SD 3.54Å; K383-M385 HydrophobicContact CG-SD 3.66Å; K383-M385 PolarHBondContact O-N 3.41Å; K383-F403 CarbonylContact O-C 3.5Å; K383-F403 VanDerWaalsContact O-CA 3.32Å; K383-F403 WeakPolarHBondContact O-CA 3.38Å; K383-G404 WeakPolarHBondContact CB-O 3.41Å; K383-G404 PolarHBondContact N-O 3.36Å; K383-G404 PolarHBondContact O-N 3.04Å; K383-D405 HydrophobicContact CB-CB 4.49Å
384	L	98.8	Very high	98.2	Very high	63 Å²	63	60.4 Å²	60.4	33%	0.33	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	114.6	173.1	179.3	65.9	0	0	0	109.3	K378 A382 C386 T401 F403	K378-L384 VanDerWaalsContact CE-CD2 3.46Å; A382-L384 PolarHBondContact O-N 3.05Å; L384-C386 VanDerWaalsContact CD1-O 3.28Å; L384-C386 WeakPolarHBondContact CD1-O 3.22Å; L384-T401 HydrophobicContact CD1-CG2 3.66Å; L384-F403 HydrophobicContact CB-CD1 4.21Å; L384-F403 HydrophobicContact CB-CE1 3.79Å; L384-F403 HydrophobicContact CB-CZ 4.49Å; L384-F403 HydrophobicContact CD1-CD1 4.42Å; L384-F403 HydrophobicContact CD1-CE1 4.01Å; L384-F403 HydrophobicContact CD1-CE2 4.37Å; L384-F403 HydrophobicContact CD1-CZ 3.98Å
385	M	98.7	Very high	98.1	Very high	57 Å²	57	61.1 Å²	61.1	28%	0.281	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-38.6	-177	-58.3	-60	-60.7	0	0	112.6	V336 V340 K383 V402	V336-M385 HydrophobicContact CG1-CE 3.72Å; V336-M385 HydrophobicContact CG1-CG 4.36Å; V336-M385 HydrophobicContact CG1-SD 4.47Å; V340-M385 HydrophobicContact CG2-CB 3.47Å; V340-M385 VanDerWaalsContact CG2-CB 3.47Å; V340-M385 HydrophobicContact CG2-CE 4.35Å; V340-M385 HydrophobicContact CG2-CG 4.25Å; K383-M385 HydrophobicContact CB-SD 4.28Å; K383-M385 HydrophobicContact CD-SD 3.54Å; K383-M385 VanDerWaalsContact CD-SD 3.54Å; K383-M385 HydrophobicContact CG-SD 3.66Å; K383-M385 PolarHBondContact O-N 3.41Å; M385-V402 HydrophobicContact CB-CB 4.3Å; M385-V402 HydrophobicContact CB-CG1 4.24Å; M385-V402 WeakPolarHBondContact CB-O 3.34Å; M385-V402 HydrophobicContact CG-CG1 4.41Å; M385-V402 PolarHBondContact N-O 2.98Å
386	C	98.8	Very high	98.1	Very high	13 Å²	13	59 Å²	59	9%	0.088	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.9	172.6	62.5	0	0	0	0	111.2	V340 E344 L384 T401 V402	V340-C386 HydrophobicContact CG1-CB 3.99Å; E344-C386 HydrophobicContact CG-CB 3.89Å; L384-C386 VanDerWaalsContact CD1-O 3.28Å; L384-C386 WeakPolarHBondContact CD1-O 3.22Å; C386-T401 WeakPolarHBondContact O-CA 3.21Å; C386-V402 PolarHBondContact O-N 3.16Å
387	G	98.7	Very high	98.1	Very high	32 Å²	32	59.4 Å²	59.4	33%	0.33	33%	0.325	S	S	.	.			trans	67.4	-135	179.8	0	0	0	0	0	112.9	Q399	G387-Q399 VanDerWaalsContact C-OE1 3.28Å
388	G	98.1	Very high	98.1	Very high	8 Å²	8	59.4 Å²	59.4	8%	0.082	33%	0.325	C	S	.	.			trans	88.4	23.6	174	0	0	0	0	0	115.1	I374 K378 T401	I374-G388 WeakPolarHBondContact CG2-O 3.31Å; K378-G388 PolarHBondContact NZ-O 3.47Å; G388-T401 WeakPolarHBondContact CA-OG1 3.37Å; G388-T401 PolarHBondContact N-OG1 3.35Å
389	G	98.3	Very high	98.2	Very high	20 Å²	20	58.2 Å²	58.2	21%	0.206	32%	0.321	C	S	.	.	S	Bend	trans	-155.3	-171.6	176.9	0	0	0	0	0	113.6	Q399	G389-Q399 WeakPolarHBondContact O-CG 3.47Å; G389-Q399 PolarHBondContact O-N 3.46Å
390	V	98.4	Very high	98.2	Very high	69 Å²	69	49.7 Å²	49.7	42%	0.418	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-72	142.4	175.7	-176.2	0	0	0	0	109.7	F367 L371 A392	F367-V390 HydrophobicContact CE1-CG2 4.36Å; F367-V390 HydrophobicContact CE2-CG1 4.32Å; F367-V390 HydrophobicContact CE2-CG2 4.41Å; F367-V390 HydrophobicContact CZ-CB 4.32Å; F367-V390 HydrophobicContact CZ-CG1 3.88Å; F367-V390 HydrophobicContact CZ-CG2 3.61Å; L371-V390 HydrophobicContact CD1-CG2 3.96Å; L371-V390 HydrophobicContact CD2-CG2 4.29Å; V390-A392 WeakPolarHBondContact CG1-O 3.28Å
391	A	98.3	Very high	98.2	Very high	42 Å²	42	46.6 Å²	46.6	35%	0.347	28%	0.276	S	S	.	.	S	Bend	trans	-103.1	-13.4	-177.3	0	0	0	0	0	114.5	V348 F397 Q399	V348-A391 HydrophobicContact CG1-CB 4Å; A391-F397 HydrophobicContact CB-CB 3.94Å; A391-F397 PolarHBondContact N-O 3.37Å; A391-Q399 HydrophobicContact CB-CG 3.83Å
392	A	97.2	Very high	98.3	Very high	38 Å²	38	43.8 Å²	43.8	31%	0.314	25%	0.247	S	C	.	.			trans	-150.1	153.7	177.9	0	0	0	0	0	111.6	V390 R394 F397	V390-A392 WeakPolarHBondContact CG1-O 3.28Å; A392-R394 PolarHBondContact O-N 3.37Å; A392-F397 HydrophobicContact CB-CB 4Å; A392-F397 HydrophobicContact CB-CD2 3.77Å; A392-F397 HydrophobicContact CB-CG 4.11Å
393	D	94.8	Very high	98.3	Very high	185 Å²	185	43.4 Å²	43.4	99%	0.989	24%	0.244	S	C	*	.	S	Bend	trans	-73.8	-13.6	177.8	-61.3	-40.6	0	0	0	113.3
394	R	96.6	Very high	98.3	Very high	128 Å²	128	38 Å²	38	48%	0.483	22%	0.221	S	C	.	.	S	Bend	trans	-136.3	142.2	-178	-174.9	179.3	-176.6	-177.3	6.4	110.4	T61 E63 A392 F397	T61-R394 PolarHBondContact O-NE 2.88Å; T61-R394 PolarHBondContact O-NH2 3.08Å; E63-R394 VanDerWaalsContact CG-NH2 3.28Å; E63-R394 IonicContact OE1-CZ 2.93Å; E63-R394 IonicContact OE1-NH2 3.91Å; E63-R394 PolarHBondContact OE1-NH2 2.74Å; E63-R394 IonicContact OE2-NH2 3.46Å; E63-R394 PolarHBondContact OE2-NH2 2.9Å; A392-R394 PolarHBondContact O-N 3.37Å; R394-F397 VanDerWaalsContact O-CD2 3.24Å; R394-F397 WeakPolarHBondContact O-CD2 3.46Å; R394-F397 WeakPolarHBondContact O-CE2 3.46Å
395	G	98.1	Very high	98.3	Very high	16 Å²	16	38.1 Å²	38.1	17%	0.165	22%	0.222	C	C	.	.	S	Bend	trans	76.1	174.8	-175.3	0	0	0	0	0	112.4	P59 S60 F397	P59-G395 CarbonylContact O-C 3.56Å; P59-G395 WeakPolarHBondContact O-CA 3.32Å; S60-G395 WeakPolarHBondContact O-CA 3.44Å; G395-F397 VanDerWaalsContact C-N 3.32Å; G395-F397 PolarHBondContact O-N 3.05Å
396	Y	98.8	Very high	98.3	Very high	25 Å²	25	35.4 Å²	35.4	10%	0.098	21%	0.209	C	C	.	.	S	Bend	trans	-93.9	48.4	-169.5	-50.1	-48	0	0	0	112.8	P59 P360 Q361 Q364 F367	P59-Y396 HydrophobicContact CB-CD2 3.63Å; P59-Y396 HydrophobicContact CB-CE2 4.1Å; P59-Y396 PolarHBondContact O-N 3.42Å; P360-Y396 WeakPolarHBondContact CA-O 3.26Å; Q361-Y396 WeakPolarHBondContact CG-O 3.21Å; Q361-Y396 PolarHBondContact N-O 3.29Å; Q361-Y396 WeakPolarHBondContact O-CB 3.43Å; Q361-Y396 WeakPolarHBondContact O-CD2 3.41Å; Q364-Y396 HydrophobicContact CB-CE1 3.83Å; Q364-Y396 HydrophobicContact CG-CE1 4.43Å; F367-Y396 HydrophobicContact CB-CD1 4.38Å; F367-Y396 HydrophobicContact CB-CG 4.4Å; F367-Y396 VanDerWaalsContact CD2-C 3.49Å; F367-Y396 HydrophobicContact CG-CD1 4.41Å
397	F	98.9	Very high	98.3	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.057	23%	0.227	C	C	.	.			trans	-87.2	127	-174.9	-61.1	-90.2	0	0	0	112.6	S60 V348 G349 P360 A391 A392 R394 G395	S60-F397 WeakPolarHBondContact O-CE2 3.48Å; V348-F397 HydrophobicContact CG1-CB 4.16Å; V348-F397 HydrophobicContact CG1-CD1 3.72Å; V348-F397 HydrophobicContact CG1-CG 4.37Å; G349-F397 WeakPolarHBondContact O-CE1 2.94Å; P360-F397 HydrophobicContact CB-CD1 3.96Å; P360-F397 HydrophobicContact CB-CD2 4.16Å; P360-F397 HydrophobicContact CB-CE1 3.86Å; P360-F397 HydrophobicContact CB-CE2 4.07Å; P360-F397 HydrophobicContact CB-CG 4.12Å; P360-F397 HydrophobicContact CB-CZ 3.92Å; P360-F397 HydrophobicContact CG-CE1 4.12Å; P360-F397 HydrophobicContact CG-CZ 4.07Å; P360-F397 VanDerWaalsContact N-CE1 3.31Å; A391-F397 HydrophobicContact CB-CB 3.94Å; A391-F397 PolarHBondContact N-O 3.37Å; A392-F397 HydrophobicContact CB-CB 4Å; A392-F397 HydrophobicContact CB-CD2 3.77Å; A392-F397 HydrophobicContact CB-CG 4.11Å; R394-F397 VanDerWaalsContact O-CD2 3.24Å; R394-F397 WeakPolarHBondContact O-CD2 3.46Å; R394-F397 WeakPolarHBondContact O-CE2 3.46Å; G395-F397 VanDerWaalsContact C-N 3.32Å; G395-F397 PolarHBondContact O-N 3.05Å
398	I	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-116.1	140.4	176.8	-62.6	-179.1	0	0	0	109.3	Q358 Q361 F367 I370 L371 I374 P420	Q358-I398 PolarHBondContact NE2-O 3.24Å; Q361-I398 HydrophobicContact CG-CD1 3.82Å; Q361-I398 HydrophobicContact CG-CG1 4.14Å; F367-I398 HydrophobicContact CD2-CD1 3.78Å; F367-I398 HydrophobicContact CD2-CG1 3.57Å; F367-I398 HydrophobicContact CE2-CD1 4.2Å; F367-I398 HydrophobicContact CE2-CG1 3.57Å; F367-I398 HydrophobicContact CG-CD1 4.44Å; I370-I398 HydrophobicContact CB-CD1 3.62Å; I370-I398 HydrophobicContact CD1-CD1 4.15Å; I370-I398 HydrophobicContact CG2-CD1 3.49Å; I370-I398 VanDerWaalsContact CG2-CD1 3.49Å; I370-I398 HydrophobicContact CG2-CG2 4.36Å; L371-I398 HydrophobicContact CD2-CD1 4.3Å; L371-I398 HydrophobicContact CD2-CG1 4.41Å; L371-I398 HydrophobicContact CG-CD1 4.22Å; I374-I398 HydrophobicContact CD1-CG2 3.89Å; I398-P420 HydrophobicContact CB-CG 4.03Å; I398-P420 HydrophobicContact CG2-CG 3.95Å
399	Q	98.9	Very high	98.2	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.341	25%	0.251	S	S	.	.			trans	-64.7	141.1	177.4	-66.8	176	-32.6	0	0	111.1	G387 G389 A391 T401	G387-Q399 VanDerWaalsContact C-OE1 3.28Å; G389-Q399 WeakPolarHBondContact O-CG 3.47Å; G389-Q399 PolarHBondContact O-N 3.46Å; A391-Q399 HydrophobicContact CB-CG 3.83Å; Q399-T401 PolarHBondContact O-N 2.88Å; Q399-T401 PolarHBondContact O-OG1 3.39Å
400	P	98.8	Very high	98.2	Very high	16 Å²	16	45.5 Å²	45.5	10%	0.104	24%	0.244	C	C	.	.			trans	-57.3	113.8	169	-20.3	33.4	0	0	0	108.8	F312 A343 R346 V348	F312-P400 HydrophobicContact CD1-CB 4.22Å; F312-P400 HydrophobicContact CE1-CB 3.79Å; F312-P400 HydrophobicContact CZ-CB 4.34Å; A343-P400 HydrophobicContact CB-CB 4.26Å; R346-P400 HydrophobicContact CB-CG 4.02Å; R346-P400 HydrophobicContact CG-CG 4.16Å; V348-P400 HydrophobicContact CG2-CG 3.85Å
401	T	98.9	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.8	-169.2	-59.5	0	0	0	0	109.7	I374 L384 C386 G388 Q399 F403 P420 V421 M422	I374-T401 HydrophobicContact CG1-CG2 4.39Å; L384-T401 HydrophobicContact CD1-CG2 3.66Å; C386-T401 WeakPolarHBondContact O-CA 3.21Å; G388-T401 WeakPolarHBondContact CA-OG1 3.37Å; G388-T401 PolarHBondContact N-OG1 3.35Å; Q399-T401 PolarHBondContact O-N 2.88Å; Q399-T401 PolarHBondContact O-OG1 3.39Å; T401-F403 HydrophobicContact CG2-CD2 4.15Å; T401-F403 HydrophobicContact CG2-CE2 3.84Å; T401-P420 PolarHBondContact N-O 2.82Å; T401-V421 HydrophobicContact CG2-CG1 4.04Å; T401-V421 CarbonylContact O-C 3.57Å; T401-V421 WeakPolarHBondContact O-CA 3.33Å; T401-M422 PolarHBondContact O-N 2.87Å
402	V	98.9	Very high	98.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.1	175.7	179.7	0	0	0	0	109.7	F312 V340 A343 M385 C386 M422 I424	F312-V402 HydrophobicContact CZ-CG2 4.13Å; V340-V402 HydrophobicContact CG2-CG1 4.3Å; A343-V402 HydrophobicContact CB-CG2 3.73Å; M385-V402 HydrophobicContact CB-CB 4.3Å; M385-V402 HydrophobicContact CB-CG1 4.24Å; M385-V402 WeakPolarHBondContact CB-O 3.34Å; M385-V402 HydrophobicContact CG-CG1 4.41Å; M385-V402 PolarHBondContact N-O 2.98Å; C386-V402 PolarHBondContact O-N 3.16Å; V402-M422 HydrophobicContact CB-CB 4.39Å; V402-M422 HydrophobicContact CG1-CB 4.32Å; V402-M422 HydrophobicContact CG2-CB 4.07Å; V402-I424 HydrophobicContact CG1-CD1 3.68Å; V402-I424 HydrophobicContact CG1-CG1 4.27Å
403	F	98.9	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.5	167.2	-76.6	-78.6	0	0	0	110.4	I374 K378 A382 K383 L384 T401 V406 I412 V421 M422 I424	I374-F403 HydrophobicContact CG2-CE2 4.49Å; I374-F403 HydrophobicContact CG2-CZ 4.36Å; K378-F403 HydrophobicContact CG-CE1 4.11Å; K378-F403 HydrophobicContact CG-CZ 4.06Å; A382-F403 HydrophobicContact CB-CB 4.21Å; A382-F403 HydrophobicContact CB-CD1 3.52Å; A382-F403 HydrophobicContact CB-CE1 4.14Å; A382-F403 HydrophobicContact CB-CG 4.07Å; K383-F403 CarbonylContact O-C 3.5Å; K383-F403 VanDerWaalsContact O-CA 3.32Å; K383-F403 WeakPolarHBondContact O-CA 3.38Å; L384-F403 HydrophobicContact CB-CD1 4.21Å; L384-F403 HydrophobicContact CB-CE1 3.79Å; L384-F403 HydrophobicContact CB-CZ 4.49Å; L384-F403 HydrophobicContact CD1-CD1 4.42Å; L384-F403 HydrophobicContact CD1-CE1 4.01Å; L384-F403 HydrophobicContact CD1-CE2 4.37Å; L384-F403 HydrophobicContact CD1-CZ 3.98Å; T401-F403 HydrophobicContact CG2-CD2 4.15Å; T401-F403 HydrophobicContact CG2-CE2 3.84Å; F403-V406 HydrophobicContact CB-CG2 3.76Å; F403-I412 HydrophobicContact CB-CD1 4.19Å; F403-I412 HydrophobicContact CD2-CD1 3.99Å; F403-I412 HydrophobicContact CG-CD1 3.99Å; F403-V421 HydrophobicContact CD2-CG1 3.82Å; F403-V421 HydrophobicContact CE2-CG1 3.94Å; F403-M422 PolarHBondContact N-O 3.45Å; F403-I424 PolarHBondContact O-N 3.13Å
404	G	98.6	Very high	98.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	168.9	167.9	0	0	0	0	0	111.8	K383 V406	K383-G404 WeakPolarHBondContact CB-O 3.41Å; K383-G404 PolarHBondContact N-O 3.36Å; K383-G404 PolarHBondContact O-N 3.04Å; G404-V406 PolarHBondContact O-N 2.91Å; G404-V406 VanDerWaalsContact O-N 3.17Å
405	D	98.2	Very high	98.5	Very high	64 Å²	64	34 Å²	34	34%	0.342	17%	0.17	S	C	.	.	S	Bend	trans	56.1	30.3	176.4	-56.4	-38.6	0	0	0	113.3	Y332 K383 Q407 I424	Y332-D405 WeakPolarHBondContact OH-CA 3.42Å; Y332-D405 PolarHBondContact OH-N 3.4Å; Y332-D405 PolarHBondContact OH-OD1 2.89Å; K383-D405 HydrophobicContact CB-CB 4.49Å; D405-Q407 PolarHBondContact O-NE2 3.06Å; D405-I424 PolarHBondContact N-O 3.25Å
406	V	98.8	Very high	98.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.169	C	C	.	.			trans	-67.9	138.6	-177.9	-172.4	0	0	0	0	110	A382 F403 G404 M410 I412 A413 Q423 I424 F425	A382-V406 HydrophobicContact CB-CG2 4.34Å; F403-V406 HydrophobicContact CB-CG2 3.76Å; G404-V406 PolarHBondContact O-N 2.91Å; G404-V406 VanDerWaalsContact O-N 3.17Å; V406-M410 HydrophobicContact CB-SD 4.36Å; V406-M410 HydrophobicContact CG1-SD 3.71Å; V406-I412 HydrophobicContact CG1-CD1 4.2Å; V406-I412 HydrophobicContact CG1-CG1 4.25Å; V406-I412 HydrophobicContact CG2-CD1 4.33Å; V406-A413 HydrophobicContact CG1-CB 4.03Å; V406-Q423 HydrophobicContact CB-CB 4.28Å; V406-Q423 HydrophobicContact CG1-CB 4.14Å; V406-Q423 HydrophobicContact CG1-CG 4.27Å; V406-Q423 HydrophobicContact CG2-CB 3.89Å; V406-Q423 HydrophobicContact CG2-CG 4.28Å; V406-I424 PolarHBondContact N-O 3.19Å; V406-F425 HydrophobicContact CB-CD1 4.06Å; V406-F425 HydrophobicContact CB-CD2 4.44Å; V406-F425 HydrophobicContact CB-CE1 3.78Å; V406-F425 HydrophobicContact CB-CE2 4.16Å; V406-F425 HydrophobicContact CB-CG 4.38Å; V406-F425 HydrophobicContact CB-CZ 3.82Å; V406-F425 HydrophobicContact CG1-CD1 4.25Å; V406-F425 HydrophobicContact CG1-CE1 3.47Å; V406-F425 VanDerWaalsContact CG1-CE1 3.47Å; V406-F425 HydrophobicContact CG1-CE2 4.1Å; V406-F425 HydrophobicContact CG1-CZ 3.37Å; V406-F425 WeakPolarHBondContact O-CD1 3.26Å
407	Q	98.5	Very high	98.5	Very high	100 Å²	100	33.9 Å²	33.9	47%	0.467	17%	0.166	S	C	.	.			trans	-107.8	149.6	177.7	-55.9	-55.5	-53.2	0	0	110.8	D405 N409 M410 A413	D405-Q407 PolarHBondContact O-NE2 3.06Å; Q407-N409 WeakPolarHBondContact CB-OD1 3.15Å; Q407-N409 PolarHBondContact O-N 3.48Å; Q407-N409 VanDerWaalsContact O-N 3.13Å; Q407-M410 HydrophobicContact CB-CE 3.91Å; Q407-M410 HydrophobicContact CB-CG 4.27Å; Q407-M410 HydrophobicContact CB-SD 4.27Å; Q407-M410 HydrophobicContact CG-CE 3.8Å; Q407-M410 PolarHBondContact N-SD 2.82Å; Q407-M410 WeakPolarHBondContact O-CB 3.47Å; Q407-M410 WeakPolarHBondContact O-CG 3.24Å; Q407-M410 PolarHBondContact O-N 3.47Å; Q407-M410 VanDerWaalsContact O-N 3.11Å; Q407-A413 VanDerWaalsContact O-CB 3.3Å; Q407-A413 WeakPolarHBondContact O-CB 3.39Å
408	D	98.1	Very high	98.5	Very high	36 Å²	36	35 Å²	35	19%	0.193	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.6	-171.4	-62.4	-17.5	0	0	0	113.2	M410 R414 R436	D408-M410 VanDerWaalsContact C-N 3.32Å; D408-R414 WeakPolarHBondContact O-CG 3.38Å; D408-R414 PolarHBondContact O-NE 2.86Å; D408-R414 PolarHBondContact O-NH2 2.69Å; D408-R436 IonicContact OD1-CZ 3.75Å; D408-R436 IonicContact OD1-NE 3.83Å; D408-R436 PolarHBondContact OD1-NE 3.17Å; D408-R436 IonicContact OD1-NH2 3.7Å; D408-R436 PolarHBondContact OD1-NH2 3.18Å; D408-R436 WeakPolarHBondContact OD2-CG 3.17Å; D408-R436 IonicContact OD2-CZ 3.36Å; D408-R436 IonicContact OD2-NE 2.75Å; D408-R436 PolarHBondContact OD2-NE 2.62Å; D408-R436 IonicContact OD2-NH2 2.77Å; D408-R436 PolarHBondContact OD2-NH2 3.47Å
409	N	97.2	Very high	98.5	Very high	135 Å²	135	35.1 Å²	35.1	72%	0.722	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.6	-179.3	67.1	-41.7	0	0	0	114.1	Q407	Q407-N409 WeakPolarHBondContact CB-OD1 3.15Å; Q407-N409 PolarHBondContact O-N 3.48Å; Q407-N409 VanDerWaalsContact O-N 3.13Å
410	M	98.6	Very high	98.5	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.064	16%	0.156	C	C	.	.	S	Bend	trans	-70.1	147.6	179.5	-63.7	173.6	175.4	0	0	111.2	E380 A382 V406 Q407 D408 I412 A413 R414	E380-M410 HydrophobicContact CB-CG 4.22Å; E380-M410 WeakPolarHBondContact OE2-CA 3.47Å; E380-M410 WeakPolarHBondContact OE2-CB 3.48Å; A382-M410 HydrophobicContact CB-CE 4.22Å; A382-M410 HydrophobicContact CB-SD 3.79Å; V406-M410 HydrophobicContact CB-SD 4.36Å; V406-M410 HydrophobicContact CG1-SD 3.71Å; Q407-M410 HydrophobicContact CB-CE 3.91Å; Q407-M410 HydrophobicContact CB-CG 4.27Å; Q407-M410 HydrophobicContact CB-SD 4.27Å; Q407-M410 HydrophobicContact CG-CE 3.8Å; Q407-M410 PolarHBondContact N-SD 2.82Å; Q407-M410 WeakPolarHBondContact O-CB 3.47Å; Q407-M410 WeakPolarHBondContact O-CG 3.24Å; Q407-M410 PolarHBondContact O-N 3.47Å; Q407-M410 VanDerWaalsContact O-N 3.11Å; D408-M410 VanDerWaalsContact C-N 3.32Å; M410-I412 VanDerWaalsContact C-N 3.3Å; M410-I412 HydrophobicContact CB-CG1 4.05Å; M410-I412 PolarHBondContact O-N 2.93Å; M410-A413 HydrophobicContact CB-CB 4.23Å; M410-A413 WeakPolarHBondContact O-CA 3.3Å; M410-A413 VanDerWaalsContact O-CB 3.29Å; M410-A413 WeakPolarHBondContact O-CB 3.27Å; M410-A413 PolarHBondContact O-N 2.83Å; M410-R414 PolarHBondContact O-N 3.17Å
411	I	98.6	Very high	98.5	Very high	60 Å²	60	31 Å²	31	31%	0.308	15%	0.152	S	C	.	.	H	α-helix	trans	-58.5	-45.7	177.1	-66.4	-179.5	0	0	0	110	Y373 S376 E380 A413 R414 E415	Y373-I411 HydrophobicContact CD1-CG2 3.86Å; Y373-I411 HydrophobicContact CE1-CG2 3.62Å; S376-I411 WeakPolarHBondContact OG-CB 3.09Å; E380-I411 WeakPolarHBondContact OE1-CD1 3.35Å; E380-I411 VanDerWaalsContact OE1-CG1 3.24Å; E380-I411 WeakPolarHBondContact OE1-CG1 3.34Å; E380-I411 PolarHBondContact OE2-N 3.14Å; I411-A413 PolarHBondContact O-N 3.21Å; I411-A413 VanDerWaalsContact O-N 3.09Å; I411-R414 PolarHBondContact O-N 3Å; I411-E415 HydrophobicContact CG2-CB 4.38Å; I411-E415 HydrophobicContact CG2-CG 4.16Å; I411-E415 PolarHBondContact O-N 2.9Å
412	I	98.6	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-17.7	177.4	60.4	165.4	0	0	0	113.2	K289 Y373 A382 F403 V406 M410 I417 Q423	K289-I412 WeakPolarHBondContact CE-O 3.25Å; K289-I412 PolarHBondContact NZ-O 3.42Å; Y373-I412 VanDerWaalsContact O-CG2 3.25Å; Y373-I412 WeakPolarHBondContact O-CG2 3.34Å; A382-I412 HydrophobicContact CB-CD1 3.75Å; F403-I412 HydrophobicContact CB-CD1 4.19Å; F403-I412 HydrophobicContact CD2-CD1 3.99Å; F403-I412 HydrophobicContact CG-CD1 3.99Å; V406-I412 HydrophobicContact CG1-CD1 4.2Å; V406-I412 HydrophobicContact CG1-CG1 4.25Å; V406-I412 HydrophobicContact CG2-CD1 4.33Å; M410-I412 VanDerWaalsContact C-N 3.3Å; M410-I412 HydrophobicContact CB-CG1 4.05Å; M410-I412 PolarHBondContact O-N 2.93Å; I412-I417 HydrophobicContact CB-CD1 4.03Å; I412-I417 HydrophobicContact CG2-CD1 4.13Å; I412-Q423 HydrophobicContact CB-CG 4.17Å; I412-Q423 HydrophobicContact CD1-CG 4.02Å; I412-Q423 HydrophobicContact CG1-CG 4.18Å; I412-Q423 WeakPolarHBondContact O-CG 3.33Å; I412-Q423 PolarHBondContact O-OE1 3.11Å; I412-Q423 VanDerWaalsContact O-OE1 3.1Å
413	A	98.4	Very high	98.5	Very high	2 Å²	2	31 Å²	31	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-87.1	-23.3	173.9	0	0	0	0	0	113.1	K289 R324 V406 Q407 M410 I411 F425	K289-A413 WeakPolarHBondContact CE-O 3.07Å; K289-A413 WeakPolarHBondContact CG-O 3.18Å; R324-A413 WeakPolarHBondContact CD-O 3.15Å; V406-A413 HydrophobicContact CG1-CB 4.03Å; Q407-A413 VanDerWaalsContact O-CB 3.3Å; Q407-A413 WeakPolarHBondContact O-CB 3.39Å; M410-A413 HydrophobicContact CB-CB 4.23Å; M410-A413 WeakPolarHBondContact O-CA 3.3Å; M410-A413 VanDerWaalsContact O-CB 3.29Å; M410-A413 WeakPolarHBondContact O-CB 3.27Å; M410-A413 PolarHBondContact O-N 2.83Å; I411-A413 PolarHBondContact O-N 3.21Å; I411-A413 VanDerWaalsContact O-N 3.09Å; A413-F425 HydrophobicContact CB-CE1 3.73Å; A413-F425 HydrophobicContact CB-CZ 3.5Å
414	R	98.3	Very high	98.5	Very high	79 Å²	79	31 Å²	31	30%	0.298	15%	0.152	S	C	.	.	H	α-helix	trans	-108	-32.9	-171.6	-66.7	-68.4	179.5	160.4	3.5	114	D408 M410 I411 D439	D408-R414 WeakPolarHBondContact O-CG 3.38Å; D408-R414 PolarHBondContact O-NE 2.86Å; D408-R414 PolarHBondContact O-NH2 2.69Å; M410-R414 PolarHBondContact O-N 3.17Å; I411-R414 PolarHBondContact O-N 3Å; R414-D439 IonicContact CZ-OD2 3.29Å; R414-D439 VanDerWaalsContact CZ-OD2 3.28Å; R414-D439 PolarHBondContact NH1-O 2.88Å; R414-D439 IonicContact NH1-OD1 2.69Å; R414-D439 PolarHBondContact NH1-OD1 2.88Å; R414-D439 IonicContact NH1-OD2 3.44Å; R414-D439 PolarHBondContact NH1-OD2 3.19Å; R414-D439 IonicContact NH2-OD2 3.76Å; R414-D439 PolarHBondContact NH2-OD2 2.95Å
415	E	98.4	Very high	98.5	Very high	81 Å²	81	30.9 Å²	30.9	38%	0.379	15%	0.151	S	C	.	.	S	Bend	trans	-99.5	147.4	-175.2	-62.9	-171.1	-167.1	0	0	112.5	K289 Y373 I411 I417	K289-E415 VanDerWaalsContact CD-O 3.26Å; K289-E415 WeakPolarHBondContact CD-O 3.25Å; K289-E415 WeakPolarHBondContact CE-O 3.19Å; K289-E415 PolarHBondContact NZ-O 2.69Å; Y373-E415 HydrophobicContact CE1-CB 3.83Å; Y373-E415 VanDerWaalsContact CE1-OE2 3.25Å; Y373-E415 WeakPolarHBondContact CE1-OE2 3.36Å; Y373-E415 PolarHBondContact OH-OE2 3.18Å; I411-E415 HydrophobicContact CG2-CB 4.38Å; I411-E415 HydrophobicContact CG2-CG 4.16Å; I411-E415 PolarHBondContact O-N 2.9Å; E415-I417 PolarHBondContact O-N 3.01Å
416	E	98.4	Very high	98.5	Very high	32 Å²	32	32 Å²	32	15%	0.15	15%	0.153	C	C	.	.			trans	-73.5	110.3	174.5	-176.4	175.8	-127.6	0	0	109.6	G287 G288 F418	G287-E416 WeakPolarHBondContact CA-OE1 3.14Å; G287-E416 WeakPolarHBondContact CA-OE2 3.17Å; G288-E416 PolarHBondContact N-OE1 2.9Å; G288-E416 WeakPolarHBondContact O-CB 3.46Å; E416-F418 HydrophobicContact CG-CB 4.33Å; E416-F418 HydrophobicContact CG-CD2 4.01Å
417	I	98.6	Very high	98.6	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	15%	0.154	C	C	.	.			trans	-78.4	-37.6	-178.7	-60	168.6	0	0	0	110.9	I370 Y373 I412 E415 G419 V421 Q423	I370-I417 HydrophobicContact CG1-CG2 4.23Å; I370-I417 HydrophobicContact CG2-CG2 4.2Å; Y373-I417 HydrophobicContact CD1-CG1 4.27Å; Y373-I417 HydrophobicContact CD2-CB 4.08Å; Y373-I417 HydrophobicContact CD2-CG1 4.02Å; Y373-I417 HydrophobicContact CD2-CG2 3.84Å; Y373-I417 HydrophobicContact CG-CB 4.39Å; Y373-I417 HydrophobicContact CG-CG1 3.87Å; Y373-I417 HydrophobicContact CG-CG2 4.18Å; I412-I417 HydrophobicContact CB-CD1 4.03Å; I412-I417 HydrophobicContact CG2-CD1 4.13Å; E415-I417 PolarHBondContact O-N 3.01Å; I417-G419 VanDerWaalsContact C-N 3.31Å; I417-G419 PolarHBondContact O-N 3.23Å; I417-V421 HydrophobicContact CD1-CB 4.09Å; I417-V421 HydrophobicContact CD1-CG1 4.16Å; I417-V421 HydrophobicContact CG2-CB 4.2Å; I417-V421 HydrophobicContact CG2-CG2 3.94Å; I417-Q423 VanDerWaalsContact CD1-NE2 3.29Å
418	F	98.6	Very high	98.6	Very high	35 Å²	35	34.4 Å²	34.4	15%	0.154	16%	0.162	C	C	.	.			trans	58.5	38.1	180	-140.9	-114	0	0	0	114.3	W185 N186 G316 Q317 C318 E416	W185-F418 AromaticContact CH2-CD1 3.44Å; W185-F418 HydrophobicContact CH2-CD1 3.44Å; W185-F418 VanDerWaalsContact CH2-CD1 3.44Å; W185-F418 AromaticContact CH2-CE1 3.3Å; W185-F418 HydrophobicContact CH2-CE1 3.3Å; W185-F418 AromaticContact CZ2-CD1 3.7Å; W185-F418 HydrophobicContact CZ2-CD1 3.7Å; W185-F418 AromaticContact CZ2-CE1 3.55Å; W185-F418 HydrophobicContact CZ2-CE1 3.55Å; W185-F418 HydrophobicContact CZ3-CD1 4.42Å; W185-F418 AromaticContact CZ3-CE1 3.95Å; W185-F418 HydrophobicContact CZ3-CE1 3.95Å; N186-F418 HydrophobicContact CB-CE1 4.06Å; N186-F418 HydrophobicContact CB-CZ 4.07Å; G316-F418 CarbonylContact O-C 3.58Å; G316-F418 VanDerWaalsContact O-C 3.27Å; G316-F418 WeakPolarHBondContact O-CA 3.28Å; Q317-F418 VanDerWaalsContact C-CZ 3.43Å; Q317-F418 HydrophobicContact CB-CD1 3.87Å; Q317-F418 HydrophobicContact CB-CE1 3.7Å; Q317-F418 HydrophobicContact CB-CZ 4.32Å; Q317-F418 HydrophobicContact CG-CD1 4.32Å; C318-F418 VanDerWaalsContact C-CE2 3.47Å; E416-F418 HydrophobicContact CG-CB 4.33Å; E416-F418 HydrophobicContact CG-CD2 4.01Å
419	G	98.7	Very high	98.6	Very high	4 Å²	4	35.4 Å²	35.4	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	-153.8	-179	-179.4	0	0	0	0	0	112.1	Q315 G316 I417 V421	Q315-G419 CarbonylContact O-C 3.53Å; Q315-G419 WeakPolarHBondContact O-CA 3.41Å; G316-G419 PolarHBondContact O-N 3.34Å; I417-G419 VanDerWaalsContact C-N 3.31Å; I417-G419 PolarHBondContact O-N 3.23Å; G419-V421 PolarHBondContact O-N 3.44Å
420	P	98.8	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-81.3	60.1	-168.9	34.7	-36.5	0	0	0	111.8	F312 Q315 I398 T401	F312-P420 HydrophobicContact CD1-CB 3.8Å; F312-P420 HydrophobicContact CE1-CB 4.17Å; F312-P420 WeakPolarHBondContact CE1-O 3.28Å; Q315-P420 WeakPolarHBondContact O-CD 3.42Å; I398-P420 HydrophobicContact CB-CG 4.03Å; I398-P420 HydrophobicContact CG2-CG 3.95Å; T401-P420 PolarHBondContact N-O 2.82Å
421	V	98.9	Very high	98.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	110.1	-174.8	-167.2	0	0	0	0	110	I370 I374 T401 F403 I417 G419 Q423	I370-V421 HydrophobicContact CG2-CG2 3.83Å; I374-V421 HydrophobicContact CD1-CG2 3.95Å; I374-V421 HydrophobicContact CG1-CG1 4.28Å; I374-V421 HydrophobicContact CG1-CG2 3.73Å; T401-V421 HydrophobicContact CG2-CG1 4.04Å; T401-V421 CarbonylContact O-C 3.57Å; T401-V421 WeakPolarHBondContact O-CA 3.33Å; F403-V421 HydrophobicContact CD2-CG1 3.82Å; F403-V421 HydrophobicContact CE2-CG1 3.94Å; I417-V421 HydrophobicContact CD1-CB 4.09Å; I417-V421 HydrophobicContact CD1-CG1 4.16Å; I417-V421 HydrophobicContact CG2-CB 4.2Å; I417-V421 HydrophobicContact CG2-CG2 3.94Å; G419-V421 PolarHBondContact O-N 3.44Å; V421-Q423 VanDerWaalsContact C-NE2 3.29Å; V421-Q423 PolarHBondContact O-NE2 3.46Å
422	M	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.8	-180	-166.1	168.1	-102.4	0	0	110.7	S307 L311 F312 V325 T401 V402 F403 I424	S307-M422 WeakPolarHBondContact O-CE 3.4Å; L311-M422 HydrophobicContact CB-CE 3.99Å; L311-M422 HydrophobicContact CD2-CB 3.26Å; L311-M422 HydrophobicContact CD2-CE 3.9Å; L311-M422 HydrophobicContact CD2-CG 3.73Å; L311-M422 HydrophobicContact CD2-SD 4.48Å; F312-M422 HydrophobicContact CE2-CE 4.02Å; F312-M422 HydrophobicContact CE2-SD 4.44Å; F312-M422 HydrophobicContact CZ-CB 4.14Å; V325-M422 HydrophobicContact CG2-CE 4.05Å; V325-M422 HydrophobicContact CG2-CG 4.06Å; V325-M422 HydrophobicContact CG2-SD 4.29Å; T401-M422 PolarHBondContact O-N 2.87Å; V402-M422 HydrophobicContact CB-CB 4.39Å; V402-M422 HydrophobicContact CG1-CB 4.32Å; V402-M422 HydrophobicContact CG2-CB 4.07Å; F403-M422 PolarHBondContact N-O 3.45Å; M422-I424 HydrophobicContact CG-CG1 3.95Å; M422-I424 HydrophobicContact SD-CD1 4.01Å; M422-I424 HydrophobicContact SD-CG1 4.02Å
423	Q	98.9	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119	168.8	-61.9	77.7	68.5	0	0	109.3	S323 V325 V406 I412 I417 V421 F425	S323-Q423 WeakPolarHBondContact O-CB 3.38Å; S323-Q423 PolarHBondContact O-OE1 3.33Å; V325-Q423 PolarHBondContact N-O 2.89Å; V406-Q423 HydrophobicContact CB-CB 4.28Å; V406-Q423 HydrophobicContact CG1-CB 4.14Å; V406-Q423 HydrophobicContact CG1-CG 4.27Å; V406-Q423 HydrophobicContact CG2-CB 3.89Å; V406-Q423 HydrophobicContact CG2-CG 4.28Å; I412-Q423 HydrophobicContact CB-CG 4.17Å; I412-Q423 HydrophobicContact CD1-CG 4.02Å; I412-Q423 HydrophobicContact CG1-CG 4.18Å; I412-Q423 WeakPolarHBondContact O-CG 3.33Å; I412-Q423 PolarHBondContact O-OE1 3.11Å; I412-Q423 VanDerWaalsContact O-OE1 3.1Å; I417-Q423 VanDerWaalsContact CD1-NE2 3.29Å; V421-Q423 VanDerWaalsContact C-NE2 3.29Å; V421-Q423 PolarHBondContact O-NE2 3.46Å; Q423-F425 HydrophobicContact CB-CD2 4.37Å; Q423-F425 HydrophobicContact CB-CE2 3.48Å; Q423-F425 VanDerWaalsContact CB-CE2 3.48Å; Q423-F425 HydrophobicContact CB-CZ 4.01Å
424	I	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.4	178	-49.3	178	0	0	0	109.4	V325 V327 Y332 F335 V336 V402 F403 D405 V406 M422	V325-I424 HydrophobicContact CB-CG1 4.44Å; V325-I424 CarbonylContact O-C 3.56Å; V325-I424 WeakPolarHBondContact O-CA 3.1Å; V327-I424 HydrophobicContact CG2-CG2 3.77Å; Y332-I424 HydrophobicContact CD2-CG2 4.4Å; Y332-I424 HydrophobicContact CE2-CG2 3.82Å; F335-I424 HydrophobicContact CD1-CD1 4.3Å; F335-I424 HydrophobicContact CD1-CG2 4.34Å; F335-I424 HydrophobicContact CE1-CD1 4.13Å; F335-I424 HydrophobicContact CE1-CG2 4.46Å; V336-I424 HydrophobicContact CG2-CB 4.45Å; V336-I424 HydrophobicContact CG2-CD1 4.03Å; V336-I424 HydrophobicContact CG2-CG2 3.9Å; V402-I424 HydrophobicContact CG1-CD1 3.68Å; V402-I424 HydrophobicContact CG1-CG1 4.27Å; F403-I424 PolarHBondContact O-N 3.13Å; D405-I424 PolarHBondContact N-O 3.25Å; V406-I424 PolarHBondContact N-O 3.19Å; M422-I424 HydrophobicContact CG-CG1 3.95Å; M422-I424 HydrophobicContact SD-CD1 4.01Å; M422-I424 HydrophobicContact SD-CG1 4.02Å
425	F	98.8	Very high	98.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.4	-177.9	-59.5	-104.2	0	0	0	109.2	R324 V325 F326 V327 V406 A413 Q423	R324-F425 HydrophobicContact CB-CD2 4.21Å; R324-F425 HydrophobicContact CB-CE2 3.74Å; R324-F425 HydrophobicContact CB-CZ 4.42Å; R324-F425 HydrophobicContact CG-CE2 3.76Å; R324-F425 HydrophobicContact CG-CZ 4Å; V325-F425 PolarHBondContact O-N 2.79Å; F326-F425 HydrophobicContact CD1-CB 3.54Å; F326-F425 HydrophobicContact CD1-CG 4.06Å; F326-F425 HydrophobicContact CE1-CB 3.79Å; F326-F425 HydrophobicContact CE1-CD1 4.09Å; F326-F425 HydrophobicContact CE1-CD2 4.38Å; F326-F425 AromaticContact CE1-CG 3.85Å; F326-F425 HydrophobicContact CE1-CG 3.85Å; F326-F425 HydrophobicContact CG-CB 4.25Å; F326-F425 HydrophobicContact CZ-CG 4.36Å; V327-F425 PolarHBondContact N-O 2.89Å; V406-F425 HydrophobicContact CB-CD1 4.06Å; V406-F425 HydrophobicContact CB-CD2 4.44Å; V406-F425 HydrophobicContact CB-CE1 3.78Å; V406-F425 HydrophobicContact CB-CE2 4.16Å; V406-F425 HydrophobicContact CB-CG 4.38Å; V406-F425 HydrophobicContact CB-CZ 3.82Å; V406-F425 HydrophobicContact CG1-CD1 4.25Å; V406-F425 HydrophobicContact CG1-CE1 3.47Å; V406-F425 VanDerWaalsContact CG1-CE1 3.47Å; V406-F425 HydrophobicContact CG1-CE2 4.1Å; V406-F425 HydrophobicContact CG1-CZ 3.37Å; V406-F425 WeakPolarHBondContact O-CD1 3.26Å; A413-F425 HydrophobicContact CB-CE1 3.73Å; A413-F425 HydrophobicContact CB-CZ 3.5Å; Q423-F425 HydrophobicContact CB-CD2 4.37Å; Q423-F425 HydrophobicContact CB-CE2 3.48Å; Q423-F425 VanDerWaalsContact CB-CE2 3.48Å; Q423-F425 HydrophobicContact CB-CZ 4.01Å
426	K	98.8	Very high	98.7	Very high	86 Å²	86	34.4 Å²	34.4	37%	0.374	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.5	170.9	-167.5	172.3	-68.3	-173	0	109.7	V327 Y332 D333 R436	V327-K426 WeakPolarHBondContact O-CA 3.23Å; Y332-K426 HydrophobicContact CD1-CD 4.44Å; Y332-K426 HydrophobicContact CD2-CB 3.66Å; Y332-K426 HydrophobicContact CD2-CD 4.43Å; Y332-K426 HydrophobicContact CD2-CG 3.9Å; Y332-K426 HydrophobicContact CE2-CB 3.7Å; Y332-K426 HydrophobicContact CE2-CG 4.4Å; Y332-K426 HydrophobicContact CG-CB 4.31Å; Y332-K426 HydrophobicContact CG-CD 4.23Å; Y332-K426 HydrophobicContact CG-CG 4.11Å; D333-K426 IonicContact OD1-NZ 2.84Å; K426-R436 PolarHBondContact O-NH1 3.43Å
427	F	98.8	Very high	98.7	Very high	5 Å²	5	33 Å²	33	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.4	170.5	77.8	-87.9	0	0	0	111	I293 L295 F326 V327 Q328 S329 T429 V433	I293-F427 HydrophobicContact CG2-CE1 4.17Å; I293-F427 HydrophobicContact CG2-CZ 4.04Å; L295-F427 HydrophobicContact CD2-CE2 4.23Å; L295-F427 HydrophobicContact CD2-CZ 3.67Å; F326-F427 HydrophobicContact CB-CD1 3.74Å; F326-F427 HydrophobicContact CB-CE1 4.05Å; F326-F427 WeakPolarHBondContact O-CE1 3.47Å; V327-F427 WeakPolarHBondContact O-CD1 3.46Å; V327-F427 PolarHBondContact O-N 3.06Å; V327-F427 VanDerWaalsContact O-N 3.11Å; Q328-F427 CarbonylContact C-O 3.57Å; Q328-F427 WeakPolarHBondContact CA-O 3.4Å; Q328-F427 HydrophobicContact CB-CE1 3.93Å; Q328-F427 HydrophobicContact CB-CE2 3.99Å; Q328-F427 HydrophobicContact CB-CZ 3.56Å; Q328-F427 HydrophobicContact CG-CD2 4.47Å; Q328-F427 HydrophobicContact CG-CE2 3.89Å; Q328-F427 HydrophobicContact CG-CZ 4Å; S329-F427 PolarHBondContact N-O 2.97Å; F427-T429 WeakPolarHBondContact CD2-O 3.09Å; F427-V433 HydrophobicContact CB-CB 4.21Å; F427-V433 HydrophobicContact CB-CG2 4.37Å; F427-V433 HydrophobicContact CD1-CB 4.22Å; F427-V433 HydrophobicContact CD1-CG2 3.84Å; F427-V433 HydrophobicContact CD2-CB 3.54Å; F427-V433 HydrophobicContact CD2-CG1 3.97Å; F427-V433 HydrophobicContact CD2-CG2 4.1Å; F427-V433 HydrophobicContact CE1-CB 4.48Å; F427-V433 HydrophobicContact CE1-CG2 4.08Å; F427-V433 HydrophobicContact CE2-CB 3.88Å; F427-V433 HydrophobicContact CE2-CG1 3.81Å; F427-V433 HydrophobicContact CE2-CG2 4.35Å; F427-V433 HydrophobicContact CG-CB 3.73Å; F427-V433 HydrophobicContact CG-CG2 3.84Å; F427-V433 HydrophobicContact CZ-CB 4.34Å; F427-V433 HydrophobicContact CZ-CG1 4.25Å; F427-V433 HydrophobicContact CZ-CG2 4.34Å
428	K	98.5	Very high	98.7	Very high	147 Å²	147	34.3 Å²	34.3	64%	0.639	17%	0.169	S	C	*	.			trans	-114.8	-48.8	-178.8	-170.4	175.7	180	178.7	0	114.2	Q328 E432	Q328-K428 PolarHBondContact NE2-O 3.1Å; K428-E432 PolarHBondContact N-OE2 3.42Å
429	T	98.6	Very high	98.7	Very high	57 Å²	57	36.6 Å²	36.6	35%	0.35	18%	0.183	S	C	.	.			trans	-117.2	161.8	-174.5	86.1	0	0	0	0	113.1	F427 E431 E432 V433	F427-T429 WeakPolarHBondContact CD2-O 3.09Å; T429-E431 WeakPolarHBondContact CB-OE2 3.46Å; T429-E431 PolarHBondContact OG1-OE2 2.69Å; T429-E432 PolarHBondContact N-OE2 3.38Å; T429-E432 PolarHBondContact O-N 3.05Å; T429-E432 PolarHBondContact OG1-N 3.45Å; T429-V433 PolarHBondContact O-N 3.2Å; T429-V433 VanDerWaalsContact O-N 3.1Å
430	L	98.4	Very high	98.7	Very high	31 Å²	31	37.3 Å²	37.3	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-39.3	179.7	-62.3	-178.5	0	0	0	111.8	L295 E432 V433 I434 K455 Y458 V459	L295-L430 HydrophobicContact CD1-CD2 3.81Å; L295-L430 HydrophobicContact CD2-CD2 3.57Å; L295-L430 HydrophobicContact CG-CD2 4.39Å; L430-E432 VanDerWaalsContact C-N 3.33Å; L430-E432 PolarHBondContact O-N 2.89Å; L430-V433 WeakPolarHBondContact O-CG1 3.18Å; L430-V433 PolarHBondContact O-N 2.75Å; L430-I434 WeakPolarHBondContact O-CB 3.5Å; L430-I434 WeakPolarHBondContact O-CD1 3.34Å; L430-I434 WeakPolarHBondContact O-CG1 3.37Å; L430-I434 PolarHBondContact O-N 2.66Å; L430-K455 HydrophobicContact CD1-CB 4.35Å; L430-K455 HydrophobicContact CD1-CD 4.29Å; L430-K455 HydrophobicContact CD1-CG 3.92Å; L430-Y458 HydrophobicContact CB-CD1 4.44Å; L430-Y458 HydrophobicContact CB-CE1 4.2Å; L430-Y458 HydrophobicContact CD1-CD1 4.35Å; L430-V459 HydrophobicContact CD2-CG2 4.16Å
431	E	98.4	Very high	98.6	Very high	106 Å²	106	43.3 Å²	43.3	50%	0.495	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-41.2	179.2	-57.2	72.4	-157.2	0	0	110.8	T429 T435	T429-E431 WeakPolarHBondContact CB-OE2 3.46Å; T429-E431 PolarHBondContact OG1-OE2 2.69Å; E431-T435 WeakPolarHBondContact O-CB 3.33Å; E431-T435 PolarHBondContact O-N 3.39Å; E431-T435 VanDerWaalsContact O-N 3.1Å; E431-T435 PolarHBondContact O-OG1 3.39Å
432	E	98.4	Very high	98.6	Very high	64 Å²	64	44.1 Å²	44.1	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-54.2	175	-174.8	-150.6	146.2	0	0	110.6	K428 T429 L430 I434 T435 R436	K428-E432 PolarHBondContact N-OE2 3.42Å; T429-E432 PolarHBondContact N-OE2 3.38Å; T429-E432 PolarHBondContact O-N 3.05Å; T429-E432 PolarHBondContact OG1-N 3.45Å; L430-E432 VanDerWaalsContact C-N 3.33Å; L430-E432 PolarHBondContact O-N 2.89Å; E432-I434 PolarHBondContact O-N 2.96Å; E432-T435 WeakPolarHBondContact O-CB 3.44Å; E432-T435 PolarHBondContact O-N 2.93Å; E432-R436 WeakPolarHBondContact O-CG 3.35Å; E432-R436 PolarHBondContact O-N 3.44Å; E432-R436 WeakPolarHBondContact OE1-CD 3.44Å; E432-R436 IonicContact OE1-CZ 3.38Å; E432-R436 IonicContact OE1-NH1 2.62Å; E432-R436 PolarHBondContact OE1-NH1 3.26Å
433	V	98.7	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-35.8	-175.2	73.7	0	0	0	0	112.2	I293 F326 F427 T429 L430 T435 R436 A437	I293-V433 HydrophobicContact CD1-CG1 4.28Å; I293-V433 HydrophobicContact CD1-CG2 3.93Å; I293-V433 HydrophobicContact CG1-CG2 3.88Å; I293-V433 HydrophobicContact CG2-CG1 4.13Å; I293-V433 HydrophobicContact CG2-CG2 4.04Å; F326-V433 HydrophobicContact CB-CG2 3.56Å; F326-V433 HydrophobicContact CD1-CG2 4.03Å; F326-V433 HydrophobicContact CD2-CG2 4.36Å; F326-V433 HydrophobicContact CG-CG2 3.74Å; F427-V433 HydrophobicContact CB-CB 4.21Å; F427-V433 HydrophobicContact CB-CG2 4.37Å; F427-V433 HydrophobicContact CD1-CB 4.22Å; F427-V433 HydrophobicContact CD1-CG2 3.84Å; F427-V433 HydrophobicContact CD2-CB 3.54Å; F427-V433 HydrophobicContact CD2-CG1 3.97Å; F427-V433 HydrophobicContact CD2-CG2 4.1Å; F427-V433 HydrophobicContact CE1-CB 4.48Å; F427-V433 HydrophobicContact CE1-CG2 4.08Å; F427-V433 HydrophobicContact CE2-CB 3.88Å; F427-V433 HydrophobicContact CE2-CG1 3.81Å; F427-V433 HydrophobicContact CE2-CG2 4.35Å; F427-V433 HydrophobicContact CG-CB 3.73Å; F427-V433 HydrophobicContact CG-CG2 3.84Å; F427-V433 HydrophobicContact CZ-CB 4.34Å; F427-V433 HydrophobicContact CZ-CG1 4.25Å; F427-V433 HydrophobicContact CZ-CG2 4.34Å; T429-V433 PolarHBondContact O-N 3.2Å; T429-V433 VanDerWaalsContact O-N 3.1Å; L430-V433 WeakPolarHBondContact O-CG1 3.18Å; L430-V433 PolarHBondContact O-N 2.75Å; V433-T435 VanDerWaalsContact C-N 3.34Å; V433-R436 PolarHBondContact O-N 3.08Å; V433-A437 WeakPolarHBondContact O-CA 3.21Å; V433-A437 WeakPolarHBondContact O-CB 3.41Å; V433-A437 PolarHBondContact O-N 3.23Å
434	I	98.8	Very high	98.6	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.077	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-42.7	175.1	-69.8	166.4	0	0	0	110.3	L430 E432 N438 Y458 V459	L430-I434 WeakPolarHBondContact O-CB 3.5Å; L430-I434 WeakPolarHBondContact O-CD1 3.34Å; L430-I434 WeakPolarHBondContact O-CG1 3.37Å; L430-I434 PolarHBondContact O-N 2.66Å; E432-I434 PolarHBondContact O-N 2.96Å; I434-N438 VanDerWaalsContact O-CB 3.29Å; I434-N438 WeakPolarHBondContact O-CB 3.06Å; I434-N438 PolarHBondContact O-N 3.39Å; I434-N438 PolarHBondContact O-ND2 2.96Å; I434-Y458 HydrophobicContact CD1-CD1 3.76Å; I434-Y458 HydrophobicContact CD1-CE1 3.41Å; I434-Y458 VanDerWaalsContact CD1-CE1 3.41Å; I434-V459 HydrophobicContact CD1-CG2 4.25Å
435	T	98.7	Very high	98.6	Very high	98 Å²	98	44.5 Å²	44.5	60%	0.601	22%	0.22	S	C	*	.	H	α-helix	trans	-60.9	-49.8	177.2	-59.1	0	0	0	0	110.8	E431 E432 V433 N438 D439	E431-T435 WeakPolarHBondContact O-CB 3.33Å; E431-T435 PolarHBondContact O-N 3.39Å; E431-T435 VanDerWaalsContact O-N 3.1Å; E431-T435 PolarHBondContact O-OG1 3.39Å; E432-T435 WeakPolarHBondContact O-CB 3.44Å; E432-T435 PolarHBondContact O-N 2.93Å; V433-T435 VanDerWaalsContact C-N 3.34Å; T435-N438 PolarHBondContact O-N 2.92Å; T435-D439 PolarHBondContact O-N 2.9Å
436	R	98.7	Very high	98.6	Very high	36 Å²	36	44.5 Å²	44.5	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-39.5	179.9	-65.6	174	66	-166.6	-4.7	112.8	R324 F326 D408 K426 E432 V433 N438 D439	R324-R436 PolarHBondContact NH1-O 2.87Å; F326-R436 HydrophobicContact CE1-CB 4.1Å; F326-R436 HydrophobicContact CZ-CB 4.33Å; D408-R436 IonicContact OD1-CZ 3.75Å; D408-R436 IonicContact OD1-NE 3.83Å; D408-R436 PolarHBondContact OD1-NE 3.17Å; D408-R436 IonicContact OD1-NH2 3.7Å; D408-R436 PolarHBondContact OD1-NH2 3.18Å; D408-R436 WeakPolarHBondContact OD2-CG 3.17Å; D408-R436 IonicContact OD2-CZ 3.36Å; D408-R436 IonicContact OD2-NE 2.75Å; D408-R436 PolarHBondContact OD2-NE 2.62Å; D408-R436 IonicContact OD2-NH2 2.77Å; D408-R436 PolarHBondContact OD2-NH2 3.47Å; K426-R436 PolarHBondContact O-NH1 3.43Å; E432-R436 WeakPolarHBondContact O-CG 3.35Å; E432-R436 PolarHBondContact O-N 3.44Å; E432-R436 WeakPolarHBondContact OE1-CD 3.44Å; E432-R436 IonicContact OE1-CZ 3.38Å; E432-R436 IonicContact OE1-NH1 2.62Å; E432-R436 PolarHBondContact OE1-NH1 3.26Å; V433-R436 PolarHBondContact O-N 3.08Å; R436-N438 VanDerWaalsContact C-N 3.28Å; R436-N438 PolarHBondContact O-N 3.31Å; R436-D439 PolarHBondContact O-N 2.93Å
437	A	98.8	Very high	98.6	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-39.8	175.2	0	0	0	0	0	111.2	P291 I293 R324 V433 L463	P291-A437 HydrophobicContact CB-CB 3.73Å; P291-A437 HydrophobicContact CG-CB 3.78Å; I293-A437 HydrophobicContact CD1-CB 4.14Å; R324-A437 PolarHBondContact NH1-O 3.02Å; R324-A437 PolarHBondContact NH2-O 2.95Å; V433-A437 WeakPolarHBondContact O-CA 3.21Å; V433-A437 WeakPolarHBondContact O-CB 3.41Å; V433-A437 PolarHBondContact O-N 3.23Å; A437-L463 HydrophobicContact CB-CD2 3.58Å
438	N	98.8	Very high	98.6	Very high	33 Å²	33	40.2 Å²	40.2	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-81.5	-18.6	178.3	-75	-31	0	0	0	114.5	I434 T435 R436 T440 G462 R464 K486	I434-N438 VanDerWaalsContact O-CB 3.29Å; I434-N438 WeakPolarHBondContact O-CB 3.06Å; I434-N438 PolarHBondContact O-N 3.39Å; I434-N438 PolarHBondContact O-ND2 2.96Å; T435-N438 PolarHBondContact O-N 2.92Å; R436-N438 VanDerWaalsContact C-N 3.28Å; R436-N438 PolarHBondContact O-N 3.31Å; N438-T440 PolarHBondContact O-N 3.27Å; N438-G462 PolarHBondContact ND2-O 2.83Å; N438-R464 WeakPolarHBondContact OD1-CB 3.29Å; N438-R464 PolarHBondContact OD1-N 3.44Å; N438-K486 PolarHBondContact O-NZ 2.96Å
439	D	98.6	Very high	98.6	Very high	84 Å²	84	33.2 Å²	33.2	45%	0.449	17%	0.171	S	C	.	.			trans	-73.7	73.9	175.4	-177.5	27.1	0	0	0	111.3	R414 T435 R436	R414-D439 IonicContact CZ-OD2 3.29Å; R414-D439 VanDerWaalsContact CZ-OD2 3.28Å; R414-D439 PolarHBondContact NH1-O 2.88Å; R414-D439 IonicContact NH1-OD1 2.69Å; R414-D439 PolarHBondContact NH1-OD1 2.88Å; R414-D439 IonicContact NH1-OD2 3.44Å; R414-D439 PolarHBondContact NH1-OD2 3.19Å; R414-D439 IonicContact NH2-OD2 3.76Å; R414-D439 PolarHBondContact NH2-OD2 2.95Å; T435-D439 PolarHBondContact O-N 2.9Å; R436-D439 PolarHBondContact O-N 2.93Å
440	T	98.3	Very high	98.6	Very high	18 Å²	18	30.6 Å²	30.6	11%	0.11	15%	0.154	C	C	.	.	S	Bend	trans	-160.2	153.6	174.4	176.3	0	0	0	0	109.2	N438 Y442 K486	N438-T440 PolarHBondContact O-N 3.27Å; T440-Y442 WeakPolarHBondContact CG2-O 3.42Å; T440-Y442 PolarHBondContact O-N 2.83Å; T440-Y442 PolarHBondContact OG1-N 2.91Å; T440-K486 PolarHBondContact O-NZ 3.42Å
441	K	97.8	Very high	98.6	Very high	126 Å²	126	34.3 Å²	34.3	55%	0.548	18%	0.178	S	C	.	.	S	Bend	trans	-69	-20.2	171.1	67.8	-178.7	-178.2	-177.8	0	112.6	K486 A487	K441-K486 WeakPolarHBondContact O-CB 3.37Å; K441-A487 HydrophobicContact CB-CB 4.49Å; K441-A487 WeakPolarHBondContact O-CB 3.48Å; K441-A487 PolarHBondContact O-N 3.43Å
442	Y	98.8	Very high	98.6	Very high	18 Å²	18	32 Å²	32	7%	0.071	17%	0.169	C	C	.	.			trans	-87.1	166.7	-178.5	-62.2	-68.8	0	0	0	112.8	T264 G287 K289 T440 K486 S488	T264-Y442 WeakPolarHBondContact OG1-CE1 3.38Å; G287-Y442 WeakPolarHBondContact O-CD1 3.48Å; K289-Y442 HydrophobicContact CB-CD2 3.65Å; K289-Y442 HydrophobicContact CB-CE2 4.3Å; K289-Y442 HydrophobicContact CB-CG 4.35Å; T440-Y442 WeakPolarHBondContact CG2-O 3.42Å; T440-Y442 PolarHBondContact O-N 2.83Å; T440-Y442 PolarHBondContact OG1-N 2.91Å; Y442-K486 WeakPolarHBondContact O-CD 3.42Å; Y442-K486 PolarHBondContact O-NZ 2.77Å; Y442-S488 WeakPolarHBondContact CA-OG 3.45Å; Y442-S488 WeakPolarHBondContact CB-OG 3.48Å
443	G	98.4	Very high	98.7	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	18%	0.184	C	C	.	.			trans	-169.4	38.9	178.5	0	0	0	0	0	113.2	A465 G466 Y485 S488	G443-A465 WeakPolarHBondContact O-CA 3.31Å; G443-G466 PolarHBondContact O-N 3.34Å; G443-Y485 WeakPolarHBondContact O-CB 3.39Å; G443-Y485 PolarHBondContact O-N 2.79Å; G443-S488 PolarHBondContact N-OG 2.81Å
444	L	98.6	Very high	98.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.215	C	C	.	.	S	Bend	trans	-73	-67.4	-175.9	-169.3	58.7	0	0	0	112.4	C319 C320 G466 T467 F482 S488	C319-L444 VanDerWaalsContact C-CD2 3.43Å; C319-L444 HydrophobicContact CB-CD2 3.54Å; C319-L444 WeakPolarHBondContact O-CD2 3.45Å; C319-L444 VanDerWaalsContact SG-CD2 3.58Å; C320-L444 HydrophobicContact CB-CD2 4.04Å; C320-L444 HydrophobicContact CB-CG 4.37Å; L444-G466 VanDerWaalsContact O-CA 3.29Å; L444-G466 WeakPolarHBondContact O-CA 3.48Å; L444-G466 PolarHBondContact O-N 3.22Å; L444-T467 PolarHBondContact O-N 3.03Å; L444-F482 HydrophobicContact CD1-CE1 3.78Å; L444-F482 HydrophobicContact CD1-CZ 3.75Å; L444-F482 HydrophobicContact CD2-CE1 4.22Å; L444-F482 HydrophobicContact CD2-CZ 3.82Å; L444-F482 HydrophobicContact CG-CE1 4.19Å; L444-F482 HydrophobicContact CG-CE2 4.43Å; L444-F482 HydrophobicContact CG-CZ 3.69Å; L444-S488 PolarHBondContact N-OG 3.41Å
445	A	98.8	Very high	98.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	169.6	177.6	0	0	0	0	0	111.9	S290 P291 C320 T467 W469	S290-A445 WeakPolarHBondContact CA-O 3.35Å; S290-A445 WeakPolarHBondContact CB-O 3.3Å; S290-A445 VanDerWaalsContact OG-C 3.3Å; S290-A445 PolarHBondContact OG-N 2.72Å; S290-A445 PolarHBondContact OG-O 2.88Å; P291-A445 WeakPolarHBondContact CD-O 3.33Å; C320-A445 HydrophobicContact CB-CB 3.68Å; A445-T467 CarbonylContact C-O 3.37Å; A445-T467 WeakPolarHBondContact CA-O 3.42Å; A445-W469 HydrophobicContact CB-CE3 4.39Å; A445-W469 HydrophobicContact CB-CH2 3.96Å; A445-W469 HydrophobicContact CB-CZ3 3.67Å
446	A	98.9	Very high	98.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	169.8	168.4	0	0	0	0	0	110.5	P291 L463 A465 T467 V468 W469	P291-A446 HydrophobicContact CG-CB 3.79Å; P291-A446 CarbonylContact O-C 3.5Å; P291-A446 WeakPolarHBondContact O-CA 3.35Å; A446-L463 HydrophobicContact CB-CD1 3.81Å; A446-L463 HydrophobicContact CB-CD2 4.48Å; A446-A465 HydrophobicContact CB-CB 3.82Å; A446-T467 PolarHBondContact N-O 2.8Å; A446-V468 HydrophobicContact CB-CG2 4.44Å; A446-V468 WeakPolarHBondContact O-CA 3.29Å; A446-W469 PolarHBondContact O-N 2.79Å
447	S	98.8	Very high	98.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.8	167.7	62	0	0	0	0	113.3	P291 N292 I293 W469 Y473	P291-S447 PolarHBondContact O-N 3.07Å; N292-S447 WeakPolarHBondContact CA-OG 3.37Å; N292-S447 WeakPolarHBondContact CB-OG 3.49Å; N292-S447 PolarHBondContact OD1-OG 2.63Å; I293-S447 PolarHBondContact N-O 2.96Å; S447-W469 CarbonylContact C-O 3.51Å; S447-W469 WeakPolarHBondContact CA-O 3.45Å; S447-W469 WeakPolarHBondContact CB-O 3.46Å; S447-Y473 WeakPolarHBondContact OG-CD2 3.01Å; S447-Y473 WeakPolarHBondContact OG-CE2 3.36Å
448	V	98.9	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.2	169.3	59.9	0	0	0	0	110.8	I293 L295 T450 V459 W469 I470 N471	I293-V448 HydrophobicContact CG2-CG2 4.49Å; I293-V448 CarbonylContact O-C 3.57Å; I293-V448 WeakPolarHBondContact O-CA 3.47Å; L295-V448 HydrophobicContact CD1-CG2 4.35Å; L295-V448 HydrophobicContact CG-CG2 4.27Å; V448-T450 HydrophobicContact CG2-CG2 4.14Å; V448-V459 HydrophobicContact CB-CB 4.34Å; V448-V459 HydrophobicContact CB-CG1 3.81Å; V448-V459 HydrophobicContact CG1-CB 4.45Å; V448-V459 HydrophobicContact CG1-CG1 4.27Å; V448-V459 HydrophobicContact CG2-CB 4.06Å; V448-V459 HydrophobicContact CG2-CG1 3.84Å; V448-V459 HydrophobicContact CG2-CG2 4.32Å; V448-W469 PolarHBondContact N-O 3.13Å; V448-I470 HydrophobicContact CG1-CB 4.47Å; V448-I470 HydrophobicContact CG1-CG1 3.95Å; V448-I470 HydrophobicContact CG1-CG2 4.34Å; V448-I470 WeakPolarHBondContact O-CA 3.23Å; V448-N471 PolarHBondContact O-N 2.82Å
449	F	98.9	Very high	98.6	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.9	175	-70.6	-100.2	0	0	0	109.3	N292 I293 I294 L295 A298 A303 Q306 N471	N292-F449 WeakPolarHBondContact OD1-CD2 3.15Å; N292-F449 WeakPolarHBondContact OD1-CE2 3.33Å; I293-F449 PolarHBondContact O-N 3.39Å; I294-F449 HydrophobicContact CD1-CB 3.92Å; I294-F449 HydrophobicContact CD1-CD2 3.37Å; I294-F449 HydrophobicContact CD1-CE2 4.11Å; I294-F449 HydrophobicContact CD1-CG 3.79Å; L295-F449 WeakPolarHBondContact CB-O 3.46Å; L295-F449 WeakPolarHBondContact CG-O 3.42Å; L295-F449 PolarHBondContact N-O 3.27Å; A298-F449 HydrophobicContact CB-CB 3.89Å; A303-F449 HydrophobicContact CB-CB 4.26Å; A303-F449 HydrophobicContact CB-CD1 4Å; A303-F449 HydrophobicContact CB-CG 4.16Å; Q306-F449 HydrophobicContact CB-CE1 3.54Å; Q306-F449 HydrophobicContact CB-CZ 3.38Å; Q306-F449 HydrophobicContact CG-CE1 3.86Å; Q306-F449 HydrophobicContact CG-CZ 4.1Å; F449-N471 VanDerWaalsContact CA-OD1 3.29Å; F449-N471 WeakPolarHBondContact CA-OD1 3.33Å
450	T	98.8	Very high	98.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.215	C	C	.	.			trans	-166.5	150.5	-172.8	-179.2	0	0	0	0	109.6	L295 D297 V448 D452 A456 N471	L295-T450 HydrophobicContact CD1-CG2 4.44Å; D297-T450 PolarHBondContact OD2-OG1 2.99Å; D297-T450 VanDerWaalsContact OD2-OG1 3.05Å; V448-T450 HydrophobicContact CG2-CG2 4.14Å; T450-D452 WeakPolarHBondContact CG2-O 3.48Å; T450-D452 PolarHBondContact OG1-N 3.41Å; T450-D452 VanDerWaalsContact OG1-N 3.15Å; T450-D452 PolarHBondContact OG1-O 3.19Å; T450-A456 HydrophobicContact CG2-CB 3.66Å; T450-N471 PolarHBondContact N-OD1 3.02Å; T450-N471 PolarHBondContact O-ND2 2.79Å; T450-N471 PolarHBondContact O-OD1 3.02Å; T450-N471 VanDerWaalsContact O-OD1 3.12Å
451	T	98.6	Very high	98.6	Very high	109 Å²	109	45.9 Å²	45.9	67%	0.669	24%	0.244	S	C	*	.	S	Bend	trans	-96.2	-16	169.3	59.9	0	0	0	0	112.1	D297	D297-T451 VanDerWaalsContact O-CG2 3.28Å; D297-T451 WeakPolarHBondContact O-CG2 3.46Å; D297-T451 PolarHBondContact O-OG1 3.44Å; D297-T451 PolarHBondContact OD2-N 3.24Å; D297-T451 PolarHBondContact OD2-OG1 2.79Å
452	D	98.7	Very high	98.6	Very high	58 Å²	58	41.2 Å²	41.2	31%	0.31	23%	0.231	S	C	.	.			trans	-80.9	123.5	177.4	-171.9	-56.3	0	0	0	112.2	D297 T450 D454 K455 A456	D297-D452 PolarHBondContact OD2-N 2.65Å; T450-D452 WeakPolarHBondContact CG2-O 3.48Å; T450-D452 PolarHBondContact OG1-N 3.41Å; T450-D452 VanDerWaalsContact OG1-N 3.15Å; T450-D452 PolarHBondContact OG1-O 3.19Å; D452-D454 WeakPolarHBondContact OD1-CA 3.33Å; D452-D454 WeakPolarHBondContact OD1-CB 3.28Å; D452-D454 PolarHBondContact OD1-N 3.49Å; D452-K455 HydrophobicContact CB-CB 4.1Å; D452-K455 HydrophobicContact CB-CD 3.81Å; D452-K455 HydrophobicContact CB-CG 3.87Å; D452-K455 PolarHBondContact OD1-N 2.74Å; D452-A456 WeakPolarHBondContact O-CB 3.38Å; D452-A456 PolarHBondContact O-N 3.27Å
453	I	98.6	Very high	98.6	Very high	119 Å²	119	40.9 Å²	40.9	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-69.5	-35	-178.6	-169.4	168.6	0	0	0	113.2	A456 N457	I453-A456 PolarHBondContact O-N 2.95Å; I453-N457 WeakPolarHBondContact O-CB 3.28Å; I453-N457 PolarHBondContact O-N 2.9Å; I453-N457 PolarHBondContact O-ND2 3.01Å
454	D	98.7	Very high	98.6	Very high	119 Å²	119	47.3 Å²	47.3	64%	0.636	25%	0.253	S	S	*	.	H	α-helix	trans	-71.8	-42.2	-178.6	-69.2	-21.7	0	0	0	109.4	D452 A456 N457 Y458	D452-D454 WeakPolarHBondContact OD1-CA 3.33Å; D452-D454 WeakPolarHBondContact OD1-CB 3.28Å; D452-D454 PolarHBondContact OD1-N 3.49Å; D454-A456 VanDerWaalsContact C-N 3.35Å; D454-A456 PolarHBondContact O-N 3.43Å; D454-N457 PolarHBondContact O-N 3.4Å; D454-Y458 WeakPolarHBondContact O-CB 3.37Å; D454-Y458 PolarHBondContact O-N 2.77Å
455	K	98.8	Very high	98.6	Very high	55 Å²	55	47.7 Å²	47.7	24%	0.239	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-42.3	172.8	-60.1	-176.8	-161.4	152.2	0	111.8	L295 D297 L430 D452 Y458 V459	L295-K455 HydrophobicContact CD1-CB 3.74Å; L295-K455 HydrophobicContact CD1-CD 3.53Å; L295-K455 HydrophobicContact CD1-CG 4.24Å; D297-K455 IonicContact OD1-NZ 2.79Å; D297-K455 PolarHBondContact OD1-NZ 3.28Å; D297-K455 IonicContact OD2-NZ 3.86Å; L430-K455 HydrophobicContact CD1-CB 4.35Å; L430-K455 HydrophobicContact CD1-CD 4.29Å; L430-K455 HydrophobicContact CD1-CG 3.92Å; D452-K455 HydrophobicContact CB-CB 4.1Å; D452-K455 HydrophobicContact CB-CD 3.81Å; D452-K455 HydrophobicContact CB-CG 3.87Å; D452-K455 PolarHBondContact OD1-N 2.74Å; K455-Y458 PolarHBondContact O-N 3.36Å; K455-V459 WeakPolarHBondContact O-CB 3.37Å; K455-V459 VanDerWaalsContact O-CG2 3.27Å; K455-V459 WeakPolarHBondContact O-CG2 3.41Å; K455-V459 PolarHBondContact O-N 2.81Å
456	A	98.6	Very high	98.6	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-52.5	178	0	0	0	0	0	111.1	T450 D452 I453 D454 S460 I470	T450-A456 HydrophobicContact CG2-CB 3.66Å; D452-A456 WeakPolarHBondContact O-CB 3.38Å; D452-A456 PolarHBondContact O-N 3.27Å; I453-A456 PolarHBondContact O-N 2.95Å; D454-A456 VanDerWaalsContact C-N 3.35Å; D454-A456 PolarHBondContact O-N 3.43Å; A456-S460 VanDerWaalsContact O-CB 3.29Å; A456-S460 WeakPolarHBondContact O-CB 3.2Å; A456-S460 PolarHBondContact O-N 2.75Å; A456-S460 PolarHBondContact O-OG 2.91Å; A456-I470 HydrophobicContact CB-CD1 4.32Å; A456-I470 HydrophobicContact CB-CG2 4.07Å
457	N	98.7	Very high	98.6	Very high	86 Å²	86	50.1 Å²	50.1	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-40.7	179.7	-72.3	-33.1	0	0	0	112.7	I453 D454 S460 S461	I453-N457 WeakPolarHBondContact O-CB 3.28Å; I453-N457 PolarHBondContact O-N 2.9Å; I453-N457 PolarHBondContact O-ND2 3.01Å; D454-N457 PolarHBondContact O-N 3.4Å; N457-S460 PolarHBondContact O-OG 2.96Å; N457-S461 VanDerWaalsContact O-CB 3.27Å; N457-S461 WeakPolarHBondContact O-CB 3.11Å; N457-S461 PolarHBondContact O-N 3.01Å; N457-S461 PolarHBondContact O-OG 2.96Å
458	Y	98.6	Very high	98.6	Very high	121 Å²	121	52 Å²	52	48%	0.475	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-50.1	-179.9	-179.8	-104.1	0	0	0	111.3	L430 I434 D454 K455 S461 G462	L430-Y458 HydrophobicContact CB-CD1 4.44Å; L430-Y458 HydrophobicContact CB-CE1 4.2Å; L430-Y458 HydrophobicContact CD1-CD1 4.35Å; I434-Y458 HydrophobicContact CD1-CD1 3.76Å; I434-Y458 HydrophobicContact CD1-CE1 3.41Å; I434-Y458 VanDerWaalsContact CD1-CE1 3.41Å; D454-Y458 WeakPolarHBondContact O-CB 3.37Å; D454-Y458 PolarHBondContact O-N 2.77Å; K455-Y458 PolarHBondContact O-N 3.36Å; Y458-S461 PolarHBondContact O-N 3.12Å; Y458-G462 PolarHBondContact O-N 2.75Å
459	V	98.6	Very high	98.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-45.8	179.4	175.2	0	0	0	0	110.4	I293 L430 I434 V448 K455 S461 G462 L463	I293-V459 HydrophobicContact CD1-CG1 3.97Å; L430-V459 HydrophobicContact CD2-CG2 4.16Å; I434-V459 HydrophobicContact CD1-CG2 4.25Å; V448-V459 HydrophobicContact CB-CB 4.34Å; V448-V459 HydrophobicContact CB-CG1 3.81Å; V448-V459 HydrophobicContact CG1-CB 4.45Å; V448-V459 HydrophobicContact CG1-CG1 4.27Å; V448-V459 HydrophobicContact CG2-CB 4.06Å; V448-V459 HydrophobicContact CG2-CG1 3.84Å; V448-V459 HydrophobicContact CG2-CG2 4.32Å; K455-V459 WeakPolarHBondContact O-CB 3.37Å; K455-V459 VanDerWaalsContact O-CG2 3.27Å; K455-V459 WeakPolarHBondContact O-CG2 3.41Å; K455-V459 PolarHBondContact O-N 2.81Å; V459-S461 VanDerWaalsContact C-N 3.27Å; V459-S461 PolarHBondContact O-N 2.86Å; V459-G462 PolarHBondContact O-N 3Å; V459-G462 VanDerWaalsContact O-N 3.15Å; V459-L463 HydrophobicContact CG1-CD1 3.65Å; V459-L463 HydrophobicContact CG1-CG 4.13Å; V459-L463 VanDerWaalsContact O-CG 3.23Å; V459-L463 WeakPolarHBondContact O-CG 3.33Å; V459-L463 PolarHBondContact O-N 3.32Å; V459-L463 VanDerWaalsContact O-N 3.07Å
460	S	98.2	Very high	98.6	Very high	31 Å²	31	55.8 Å²	55.8	22%	0.217	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-35.7	-179.6	67.8	0	0	0	0	113	A456 N457	A456-S460 VanDerWaalsContact O-CB 3.29Å; A456-S460 WeakPolarHBondContact O-CB 3.2Å; A456-S460 PolarHBondContact O-N 2.75Å; A456-S460 PolarHBondContact O-OG 2.91Å; N457-S460 PolarHBondContact O-OG 2.96Å
461	S	98.1	Very high	98.6	Very high	102 Å²	102	58.8 Å²	58.8	71%	0.713	32%	0.322	S	S	*	.	H	α-helix	trans	-75	-31.5	176.7	-56.3	0	0	0	0	112.7	N457 Y458 V459	N457-S461 VanDerWaalsContact O-CB 3.27Å; N457-S461 WeakPolarHBondContact O-CB 3.11Å; N457-S461 PolarHBondContact O-N 3.01Å; N457-S461 PolarHBondContact O-OG 2.96Å; Y458-S461 PolarHBondContact O-N 3.12Å; V459-S461 VanDerWaalsContact C-N 3.27Å; V459-S461 PolarHBondContact O-N 2.86Å
462	G	98.4	Very high	98.6	Very high	28 Å²	28	55.2 Å²	55.2	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-77.8	-23.2	179.8	0	0	0	0	0	114.2	N438 Y458 V459	N438-G462 PolarHBondContact ND2-O 2.83Å; Y458-G462 PolarHBondContact O-N 2.75Å; V459-G462 PolarHBondContact O-N 3Å; V459-G462 VanDerWaalsContact O-N 3.15Å
463	L	98.7	Very high	98.6	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.058	29%	0.287	C	S	.	.			trans	-77.2	130.2	-177.9	-72.5	167.1	0	0	0	112.3	P291 I293 A437 A446 V459 A465 V468	P291-L463 HydrophobicContact CG-CD2 4.31Å; I293-L463 HydrophobicContact CD1-CD1 4.28Å; I293-L463 HydrophobicContact CD1-CD2 4.01Å; A437-L463 HydrophobicContact CB-CD2 3.58Å; A446-L463 HydrophobicContact CB-CD1 3.81Å; A446-L463 HydrophobicContact CB-CD2 4.48Å; V459-L463 HydrophobicContact CG1-CD1 3.65Å; V459-L463 HydrophobicContact CG1-CG 4.13Å; V459-L463 VanDerWaalsContact O-CG 3.23Å; V459-L463 WeakPolarHBondContact O-CG 3.33Å; V459-L463 PolarHBondContact O-N 3.32Å; V459-L463 VanDerWaalsContact O-N 3.07Å; L463-A465 PolarHBondContact O-N 3.08Å; L463-V468 HydrophobicContact CB-CG2 4.21Å; L463-V468 HydrophobicContact CD1-CG1 3.96Å
464	R	98.6	Very high	98.5	Very high	141 Å²	141	48.1 Å²	48.1	53%	0.532	26%	0.264	S	S	.	.			trans	-93	66.7	176	-62.5	-178	66.4	-173.5	1.8	110.5	N438 Y485	N438-R464 WeakPolarHBondContact OD1-CB 3.29Å; N438-R464 PolarHBondContact OD1-N 3.44Å; R464-Y485 HydrophobicContact CB-CD2 4.23Å
465	A	98.7	Very high	98.4	Very high	10 Å²	10	46.6 Å²	46.6	8%	0.083	26%	0.259	C	S	.	.			trans	-128.3	153.4	177.5	0	0	0	0	0	111.2	G443 A446 L463 V468 Y485	G443-A465 WeakPolarHBondContact O-CA 3.31Å; A446-A465 HydrophobicContact CB-CB 3.82Å; L463-A465 PolarHBondContact O-N 3.08Å; A465-V468 HydrophobicContact CB-CG2 4.32Å; A465-Y485 WeakPolarHBondContact O-CE1 3.36Å
466	G	98.5	Very high	98.3	Very high	24 Å²	24	46.3 Å²	46.3	25%	0.247	26%	0.257	C	S	.	.	S	Bend	trans	-70	-32.4	178.6	0	0	0	0	0	114.8	G443 L444 G483	G443-G466 PolarHBondContact O-N 3.34Å; L444-G466 VanDerWaalsContact O-CA 3.29Å; L444-G466 WeakPolarHBondContact O-CA 3.48Å; L444-G466 PolarHBondContact O-N 3.22Å; G466-G483 VanDerWaalsContact CA-O 3.22Å; G466-G483 WeakPolarHBondContact CA-O 3.29Å
467	T	98.8	Very high	98.2	Very high	27 Å²	27	47.7 Å²	47.7	17%	0.166	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.2	174.5	-56.5	0	0	0	0	109	L444 A445 A446 W469	L444-T467 PolarHBondContact O-N 3.03Å; A445-T467 CarbonylContact C-O 3.37Å; A445-T467 WeakPolarHBondContact CA-O 3.42Å; A446-T467 PolarHBondContact N-O 2.8Å; T467-W469 HydrophobicContact CG2-CD2 4.24Å; T467-W469 HydrophobicContact CG2-CZ2 4.03Å
468	V	98.8	Very high	98.1	Very high	40 Å²	40	43.9 Å²	43.9	24%	0.242	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.6	172.9	-173.7	0	0	0	0	109	A446 L463 A465	A446-V468 HydrophobicContact CB-CG2 4.44Å; A446-V468 WeakPolarHBondContact O-CA 3.29Å; L463-V468 HydrophobicContact CB-CG2 4.21Å; L463-V468 HydrophobicContact CD1-CG1 3.96Å; A465-V468 HydrophobicContact CB-CG2 4.32Å
469	W	98.8	Very high	98.1	Very high	15 Å²	15	44 Å²	44	6%	0.057	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142.7	174.9	-63.5	-63.4	0	0	0	111.3	C320 A445 A446 S447 V448 T467 C472 Y473 V475 F476	C320-W469 HydrophobicContact CB-CH2 4.19Å; A445-W469 HydrophobicContact CB-CE3 4.39Å; A445-W469 HydrophobicContact CB-CH2 3.96Å; A445-W469 HydrophobicContact CB-CZ3 3.67Å; A446-W469 PolarHBondContact O-N 2.79Å; S447-W469 CarbonylContact C-O 3.51Å; S447-W469 WeakPolarHBondContact CA-O 3.45Å; S447-W469 WeakPolarHBondContact CB-O 3.46Å; V448-W469 PolarHBondContact N-O 3.13Å; T467-W469 HydrophobicContact CG2-CD2 4.24Å; T467-W469 HydrophobicContact CG2-CZ2 4.03Å; W469-C472 WeakPolarHBondContact CB-O 3.39Å; W469-Y473 AromaticContact CE3-CD1 3.83Å; W469-Y473 HydrophobicContact CE3-CD1 3.83Å; W469-Y473 HydrophobicContact CE3-CD2 4.06Å; W469-Y473 AromaticContact CE3-CE1 3.87Å; W469-Y473 HydrophobicContact CE3-CE1 3.87Å; W469-Y473 HydrophobicContact CE3-CE2 4.08Å; W469-Y473 AromaticContact CE3-CG 3.92Å; W469-Y473 HydrophobicContact CE3-CG 3.92Å; W469-Y473 AromaticContact CE3-CZ 3.96Å; W469-Y473 HydrophobicContact CH2-CD1 4.41Å; W469-Y473 HydrophobicContact CH2-CE1 4.26Å; W469-Y473 AromaticContact CZ3-CD1 3.58Å; W469-Y473 HydrophobicContact CZ3-CD1 3.58Å; W469-Y473 HydrophobicContact CZ3-CD2 4.49Å; W469-Y473 AromaticContact CZ3-CE1 3.32Å; W469-Y473 HydrophobicContact CZ3-CE1 3.32Å; W469-Y473 HydrophobicContact CZ3-CE2 4.27Å; W469-Y473 HydrophobicContact CZ3-CG 4.16Å; W469-Y473 AromaticContact CZ3-CZ 3.68Å; W469-V475 PolarHBondContact NE1-O 3.31Å; W469-V475 VanDerWaalsContact NE1-O 3.15Å; W469-F476 HydrophobicContact CH2-CZ 4.22Å; W469-F476 HydrophobicContact CZ2-CE1 4.43Å; W469-F476 HydrophobicContact CZ2-CE2 4.47Å; W469-F476 HydrophobicContact CZ2-CZ 4.22Å
470	I	98.8	Very high	98.1	Very high	66 Å²	66	46.4 Å²	46.4	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.1	177.9	-55.3	177.2	0	0	0	107.9	V448 A456 C472	V448-I470 HydrophobicContact CG1-CB 4.47Å; V448-I470 HydrophobicContact CG1-CG1 3.95Å; V448-I470 HydrophobicContact CG1-CG2 4.34Å; V448-I470 WeakPolarHBondContact O-CA 3.23Å; A456-I470 HydrophobicContact CB-CD1 4.32Å; A456-I470 HydrophobicContact CB-CG2 4.07Å; I470-C472 PolarHBondContact O-N 3.11Å
471	N	98.6	Very high	98.2	Very high	63 Å²	63	47.3 Å²	47.3	34%	0.337	28%	0.279	S	S	.	.	S	Bend	trans	59.7	18	-177.7	-64.4	-42.5	0	0	0	116	N302 V448 F449 T450	N302-N471 PolarHBondContact ND2-O 3.48Å; V448-N471 PolarHBondContact O-N 2.82Å; F449-N471 VanDerWaalsContact CA-OD1 3.29Å; F449-N471 WeakPolarHBondContact CA-OD1 3.33Å; T450-N471 PolarHBondContact N-OD1 3.02Å; T450-N471 PolarHBondContact O-ND2 2.79Å; T450-N471 PolarHBondContact O-OD1 3.02Å; T450-N471 VanDerWaalsContact O-OD1 3.12Å
472	C	98.6	Very high	98.2	Very high	35 Å²	35	42.9 Å²	42.9	24%	0.236	25%	0.247	C	C	.	.			trans	-150.7	174.3	175.3	64.5	0	0	0	0	110.6	W469 I470 V475	W469-C472 WeakPolarHBondContact CB-O 3.39Å; I470-C472 PolarHBondContact O-N 3.11Å; C472-V475 HydrophobicContact CB-CG2 3.86Å
473	Y	98.4	Very high	98.2	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.02	23%	0.233	C	C	.	.	S	Bend	trans	-148.2	153.1	174.4	-145.8	-78.3	0	0	0	110.8	S290 N292 Q306 C320 G322 S447 W469 V475	S290-Y473 VanDerWaalsContact CB-OH 3.26Å; S290-Y473 WeakPolarHBondContact CB-OH 3.44Å; N292-Y473 HydrophobicContact CB-CE2 3.93Å; Q306-Y473 VanDerWaalsContact OE1-N 3.13Å; C320-Y473 VanDerWaalsContact O-CE1 3.29Å; C320-Y473 WeakPolarHBondContact O-CE1 3.19Å; C320-Y473 PolarHBondContact O-OH 3.37Å; G322-Y473 VanDerWaalsContact CA-CZ 3.5Å; G322-Y473 WeakPolarHBondContact CA-OH 3.08Å; G322-Y473 PolarHBondContact N-OH 3.12Å; S447-Y473 WeakPolarHBondContact OG-CD2 3.01Å; S447-Y473 WeakPolarHBondContact OG-CE2 3.36Å; W469-Y473 AromaticContact CE3-CD1 3.83Å; W469-Y473 HydrophobicContact CE3-CD1 3.83Å; W469-Y473 HydrophobicContact CE3-CD2 4.06Å; W469-Y473 AromaticContact CE3-CE1 3.87Å; W469-Y473 HydrophobicContact CE3-CE1 3.87Å; W469-Y473 HydrophobicContact CE3-CE2 4.08Å; W469-Y473 AromaticContact CE3-CG 3.92Å; W469-Y473 HydrophobicContact CE3-CG 3.92Å; W469-Y473 AromaticContact CE3-CZ 3.96Å; W469-Y473 HydrophobicContact CH2-CD1 4.41Å; W469-Y473 HydrophobicContact CH2-CE1 4.26Å; W469-Y473 AromaticContact CZ3-CD1 3.58Å; W469-Y473 HydrophobicContact CZ3-CD1 3.58Å; W469-Y473 HydrophobicContact CZ3-CD2 4.49Å; W469-Y473 AromaticContact CZ3-CE1 3.32Å; W469-Y473 HydrophobicContact CZ3-CE1 3.32Å; W469-Y473 HydrophobicContact CZ3-CE2 4.27Å; W469-Y473 HydrophobicContact CZ3-CG 4.16Å; W469-Y473 AromaticContact CZ3-CZ 3.68Å; Y473-V475 PolarHBondContact O-N 3.15Å
474	N	96.5	Very high	98.1	Very high	22 Å²	22	41.2 Å²	41.2	12%	0.118	23%	0.232	C	C	.	.	S	Bend	trans	55.2	31.8	178	-71.6	-18.1	0	0	0	114.2	I309 C320 F476	I309-N474 PolarHBondContact O-ND2 2.95Å; C320-N474 PolarHBondContact SG-OD1 3.07Å; N474-F476 HydrophobicContact CB-CD2 4.5Å; N474-F476 HydrophobicContact CB-CE2 4Å; N474-F476 VanDerWaalsContact O-CD2 3.25Å; N474-F476 WeakPolarHBondContact O-CD2 3.49Å; N474-F476 PolarHBondContact O-N 3.04Å
475	V	97.6	Very high	98.1	Very high	88 Å²	88	39.4 Å²	39.4	53%	0.533	23%	0.226	S	C	.	.			trans	-85.8	96.4	174.9	-176.9	0	0	0	0	108.7	W469 C472 Y473	W469-V475 PolarHBondContact NE1-O 3.31Å; W469-V475 VanDerWaalsContact NE1-O 3.15Å; C472-V475 HydrophobicContact CB-CG2 3.86Å; Y473-V475 PolarHBondContact O-N 3.15Å
476	F	95.6	Very high	98.1	Very high	48 Å²	48	42.3 Å²	42.3	21%	0.211	24%	0.237	C	C	.	.			trans	-98.7	142.1	175.8	-63.7	-84.6	0	0	0	111.3	L141 W194 C320 W469 N474 F482	L141-F476 HydrophobicContact CD2-CB 4.4Å; W194-F476 AromaticContact CH2-CD1 3.98Å; W194-F476 HydrophobicContact CH2-CD1 3.98Å; W194-F476 HydrophobicContact CH2-CE1 4.11Å; W194-F476 HydrophobicContact CZ2-CD1 4.19Å; C320-F476 VanDerWaalsContact SG-CZ 3.56Å; W469-F476 HydrophobicContact CH2-CZ 4.22Å; W469-F476 HydrophobicContact CZ2-CE1 4.43Å; W469-F476 HydrophobicContact CZ2-CE2 4.47Å; W469-F476 HydrophobicContact CZ2-CZ 4.22Å; N474-F476 HydrophobicContact CB-CD2 4.5Å; N474-F476 HydrophobicContact CB-CE2 4Å; N474-F476 VanDerWaalsContact O-CD2 3.25Å; N474-F476 WeakPolarHBondContact O-CD2 3.49Å; N474-F476 PolarHBondContact O-N 3.04Å; F476-F482 HydrophobicContact CD1-CD2 4.27Å; F476-F482 AromaticContact CE1-CD2 3.64Å; F476-F482 HydrophobicContact CE1-CD2 3.64Å; F476-F482 AromaticContact CE1-CE2 3.54Å; F476-F482 HydrophobicContact CE1-CE2 3.54Å; F476-F482 HydrophobicContact CE1-CG 4.2Å; F476-F482 HydrophobicContact CE1-CZ 4.03Å; F476-F482 HydrophobicContact CZ-CE2 4.17Å; F476-F482 HydrophobicContact CZ-CZ 4.48Å
477	A	95.8	Very high	98.1	Very high	38 Å²	38	42.5 Å²	42.5	31%	0.314	24%	0.236	S	C	.	.			trans	-146.9	134.5	175.4	0	0	0	0	0	108.2	Q479 A480	A477-Q479 VanDerWaalsContact CB-OE1 3.31Å; A477-Q479 PolarHBondContact O-N 3.44Å; A477-A480 PolarHBondContact O-N 3.05Å
478	S	98.3	Very high	98.1	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.042	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.3	-176.8	-50.2	0	0	0	0	113.3	C145 Y148 G495	C145-S478 VanDerWaalsContact CA-OG 3.29Å; C145-S478 WeakPolarHBondContact CA-OG 3.39Å; C145-S478 PolarHBondContact N-OG 2.92Å; Y148-S478 WeakPolarHBondContact CD1-O 3.41Å; Y148-S478 WeakPolarHBondContact CE1-O 3.31Å; S478-G495 WeakPolarHBondContact O-CA 3.39Å; S478-G495 PolarHBondContact O-N 2.93Å
479	Q	98.4	Very high	98	Very high	124 Å²	124	39.9 Å²	39.9	58%	0.579	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-26.2	178	-54.4	83.8	-11	0	0	113.5	Y148 A477 G495	Y148-Q479 HydrophobicContact CD2-CG 3.96Å; Y148-Q479 HydrophobicContact CE2-CB 4.08Å; Y148-Q479 HydrophobicContact CE2-CG 3.7Å; A477-Q479 VanDerWaalsContact CB-OE1 3.31Å; A477-Q479 PolarHBondContact O-N 3.44Å; Q479-G495 WeakPolarHBondContact O-CA 3.35Å
480	A	98.5	Very high	98	Very high	51 Å²	51	42.1 Å²	42.1	42%	0.421	24%	0.235	S	C	.	.	S	Bend	trans	-97	130.8	-175.7	0	0	0	0	0	109.9	A477 L494	A477-A480 PolarHBondContact O-N 3.05Å; A480-L494 WeakPolarHBondContact O-CB 3.35Å
481	P	98.6	Very high	97.9	Very high	49 Å²	49	40.6 Å²	40.6	32%	0.318	24%	0.236	S	C	.	.			trans	-66.1	145	177.3	29.6	-35.4	0	0	0	110.8	R492 E493 Y497	P481-R492 HydrophobicContact CB-CB 4.2Å; P481-R492 HydrophobicContact CB-CG 4.42Å; P481-E493 CarbonylContact C-O 3.56Å; P481-E493 WeakPolarHBondContact CA-O 3.47Å; P481-Y497 HydrophobicContact CB-CD2 3.78Å; P481-Y497 HydrophobicContact CB-CG 4.13Å; P481-Y497 HydrophobicContact CG-CD2 3.68Å; P481-Y497 HydrophobicContact CG-CE2 4.01Å; P481-Y497 HydrophobicContact CG-CG 4.4Å
482	F	98.8	Very high	97.9	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-127.2	140.6	173.5	-176.2	-96.8	0	0	0	109.4	W194 C320 L444 F476 R492 E493 L494	W194-F482 HydrophobicContact CH2-CB 4.26Å; W194-F482 HydrophobicContact CH2-CD1 4.01Å; W194-F482 HydrophobicContact CH2-CG 4.18Å; W194-F482 HydrophobicContact CZ3-CB 4.21Å; W194-F482 AromaticContact CZ3-CD1 3.7Å; W194-F482 HydrophobicContact CZ3-CD1 3.7Å; W194-F482 HydrophobicContact CZ3-CE1 4.41Å; W194-F482 HydrophobicContact CZ3-CG 4.2Å; C320-F482 HydrophobicContact CB-CE2 4.34Å; C320-F482 HydrophobicContact CB-CZ 4.08Å; L444-F482 HydrophobicContact CD1-CE1 3.78Å; L444-F482 HydrophobicContact CD1-CZ 3.75Å; L444-F482 HydrophobicContact CD2-CE1 4.22Å; L444-F482 HydrophobicContact CD2-CZ 3.82Å; L444-F482 HydrophobicContact CG-CE1 4.19Å; L444-F482 HydrophobicContact CG-CE2 4.43Å; L444-F482 HydrophobicContact CG-CZ 3.69Å; F476-F482 HydrophobicContact CD1-CD2 4.27Å; F476-F482 AromaticContact CE1-CD2 3.64Å; F476-F482 HydrophobicContact CE1-CD2 3.64Å; F476-F482 AromaticContact CE1-CE2 3.54Å; F476-F482 HydrophobicContact CE1-CE2 3.54Å; F476-F482 HydrophobicContact CE1-CG 4.2Å; F476-F482 HydrophobicContact CE1-CZ 4.03Å; F476-F482 HydrophobicContact CZ-CE2 4.17Å; F476-F482 HydrophobicContact CZ-CZ 4.48Å; F482-R492 WeakPolarHBondContact O-CA 3.43Å; F482-E493 PolarHBondContact N-O 3.21Å; F482-E493 PolarHBondContact O-N 3.23Å; F482-L494 HydrophobicContact CB-CD1 4.43Å
483	G	98.3	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.			trans	158.4	160.2	171	0	0	0	0	0	114.9	E285 G466 R492	E285-G483 WeakPolarHBondContact OE1-CA 3.21Å; E285-G483 VanDerWaalsContact OE2-CA 3.29Å; E285-G483 WeakPolarHBondContact OE2-CA 3.02Å; G466-G483 VanDerWaalsContact CA-O 3.22Å; G466-G483 WeakPolarHBondContact CA-O 3.29Å; G483-R492 VanDerWaalsContact O-CZ 3.23Å; G483-R492 PolarHBondContact O-NE 3.16Å; G483-R492 PolarHBondContact O-NH1 2.95Å
484	G	97.8	Very high	98	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	22%	0.223	C	C	.	.			trans	-77.4	153.1	-164.8	0	0	0	0	0	117	R492	G484-R492 PolarHBondContact O-NH1 3.21Å; G484-R492 PolarHBondContact O-NH2 3.1Å
485	Y	97.8	Very high	98.1	Very high	103 Å²	103	38.5 Å²	38.5	40%	0.404	22%	0.217	S	C	.	.	S	Bend	trans	-87.8	162.3	152.7	-83.3	48.1	0	0	0	109.8	G443 R464 A465 A487 S488	G443-Y485 WeakPolarHBondContact O-CB 3.39Å; G443-Y485 PolarHBondContact O-N 2.79Å; R464-Y485 HydrophobicContact CB-CD2 4.23Å; A465-Y485 WeakPolarHBondContact O-CE1 3.36Å; Y485-A487 PolarHBondContact O-N 2.82Å; Y485-S488 WeakPolarHBondContact O-CB 3.15Å; Y485-S488 PolarHBondContact O-N 2.76Å
486	K	98.3	Very high	98.1	Very high	72 Å²	72	38.8 Å²	38.8	31%	0.313	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	53.7	-129.6	171.7	-53.2	178.2	-169.4	161.4	0	111.6	N438 T440 K441 Y442 S488	N438-K486 PolarHBondContact O-NZ 2.96Å; T440-K486 PolarHBondContact O-NZ 3.42Å; K441-K486 WeakPolarHBondContact O-CB 3.37Å; Y442-K486 WeakPolarHBondContact O-CD 3.42Å; Y442-K486 PolarHBondContact O-NZ 2.77Å; K486-S488 VanDerWaalsContact C-N 3.26Å; K486-S488 PolarHBondContact O-N 3.4Å
487	A	98.2	Very high	98.2	Very high	28 Å²	28	43.2 Å²	43.2	23%	0.231	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-83.8	5.8	-179.3	0	0	0	0	0	113.9	T264 L286 K441 Y485 G489	T264-A487 HydrophobicContact CG2-CB 3.99Å; T264-A487 WeakPolarHBondContact CG2-O 3.29Å; T264-A487 PolarHBondContact OG1-O 3.47Å; L286-A487 WeakPolarHBondContact CD1-O 3.39Å; K441-A487 HydrophobicContact CB-CB 4.49Å; K441-A487 WeakPolarHBondContact O-CB 3.48Å; K441-A487 PolarHBondContact O-N 3.43Å; Y485-A487 PolarHBondContact O-N 2.82Å; A487-G489 VanDerWaalsContact C-N 3.3Å
488	S	98.7	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-84.8	-1.8	173.3	-71.3	0	0	0	0	113.4	L286 G287 Y442 G443 L444 Y485 K486	L286-S488 WeakPolarHBondContact CA-O 3.26Å; L286-S488 PolarHBondContact N-O 2.9Å; G287-S488 WeakPolarHBondContact O-CB 3.44Å; G287-S488 PolarHBondContact O-OG 3.1Å; Y442-S488 WeakPolarHBondContact CA-OG 3.45Å; Y442-S488 WeakPolarHBondContact CB-OG 3.48Å; G443-S488 PolarHBondContact N-OG 2.81Å; L444-S488 PolarHBondContact N-OG 3.41Å; Y485-S488 WeakPolarHBondContact O-CB 3.15Å; Y485-S488 PolarHBondContact O-N 2.76Å; K486-S488 VanDerWaalsContact C-N 3.26Å; K486-S488 PolarHBondContact O-N 3.4Å
489	G	98.4	Very high	98.4	Very high	11 Å²	11	41.2 Å²	41.2	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.5	176.5	173.7	0	0	0	0	0	114.8	L284 A487	L284-G489 CarbonylContact O-C 3.56Å; L284-G489 WeakPolarHBondContact O-CA 3.36Å; A487-G489 VanDerWaalsContact C-N 3.3Å
490	N	97.8	Very high	98.4	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	133.5	171.5	68.2	-37.2	0	0	0	110.5	V282 T283 L284	V282-N490 PolarHBondContact O-ND2 3Å; T283-N490 WeakPolarHBondContact CA-O 3.4Å; L284-N490 WeakPolarHBondContact CB-OD1 3.43Å; L284-N490 WeakPolarHBondContact CG-OD1 3.43Å; L284-N490 PolarHBondContact N-O 3.28Å; L284-N490 PolarHBondContact N-OD1 2.84Å; L284-N490 PolarHBondContact O-N 3.47Å
491	G	97.9	Very high	98.4	Very high	35 Å²	35	40.2 Å²	40.2	36%	0.361	20%	0.204	S	C	.	.	S	Bend	trans	91.1	-177.8	-167.5	0	0	0	0	0	112.2
492	R	98.6	Very high	98.4	Very high	69 Å²	69	38.1 Å²	38.1	26%	0.26	19%	0.189	S	C	.	.			trans	-136.6	144.5	175.4	-65.3	-65.4	178.2	-96.8	5.5	109	P481 F482 G483 G484	P481-R492 HydrophobicContact CB-CB 4.2Å; P481-R492 HydrophobicContact CB-CG 4.42Å; F482-R492 WeakPolarHBondContact O-CA 3.43Å; G483-R492 VanDerWaalsContact O-CZ 3.23Å; G483-R492 PolarHBondContact O-NE 3.16Å; G483-R492 PolarHBondContact O-NH1 2.95Å; G484-R492 PolarHBondContact O-NH1 3.21Å; G484-R492 PolarHBondContact O-NH2 3.1Å
493	E	98.6	Very high	98.4	Very high	9 Å²	9	38 Å²	38	4%	0.042	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-106.4	170.4	165.9	-58.7	-162.5	135.3	0	0	109.7	W194 K195 E285 P481 F482	W194-E493 HydrophobicContact CE3-CB 4.2Å; K195-E493 VanDerWaalsContact CD-OE1 3.26Å; K195-E493 WeakPolarHBondContact CD-OE1 3.35Å; K195-E493 WeakPolarHBondContact CE-OE1 3.27Å; K195-E493 IonicContact NZ-OE1 3.28Å; K195-E493 PolarHBondContact NZ-OE1 3.03Å; K195-E493 IonicContact NZ-OE2 2.74Å; K195-E493 PolarHBondContact NZ-OE2 3.15Å; E285-E493 HydrophobicContact CG-CG 3.91Å; P481-E493 CarbonylContact C-O 3.56Å; P481-E493 WeakPolarHBondContact CA-O 3.47Å; F482-E493 PolarHBondContact N-O 3.21Å; F482-E493 PolarHBondContact O-N 3.23Å
494	L	98.6	Very high	98.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.209	C	C	.	.	S	Bend	trans	60.4	174.9	-172.3	-56.9	-174.8	0	0	0	113.4	Y149 W194 A480 F482 G498	Y149-L494 HydrophobicContact CE2-CD2 4.39Å; Y149-L494 WeakPolarHBondContact OH-CA 3.23Å; Y149-L494 PolarHBondContact OH-N 3.13Å; Y149-L494 PolarHBondContact OH-O 3.32Å; W194-L494 HydrophobicContact CD2-CD1 4.25Å; W194-L494 HydrophobicContact CD2-CD2 3.77Å; W194-L494 HydrophobicContact CD2-CG 3.95Å; W194-L494 HydrophobicContact CE3-CD1 4.42Å; W194-L494 HydrophobicContact CE3-CD2 4.37Å; W194-L494 HydrophobicContact CE3-CG 4.09Å; W194-L494 HydrophobicContact CG-CD2 3.89Å; W194-L494 HydrophobicContact CH2-CD1 3.68Å; W194-L494 HydrophobicContact CH2-CG 4.23Å; W194-L494 HydrophobicContact CZ2-CD1 3.46Å; W194-L494 VanDerWaalsContact CZ2-CD1 3.46Å; W194-L494 HydrophobicContact CZ2-CD2 4.39Å; W194-L494 HydrophobicContact CZ2-CG 4.11Å; W194-L494 HydrophobicContact CZ3-CD1 4.16Å; W194-L494 HydrophobicContact CZ3-CG 4.21Å; A480-L494 WeakPolarHBondContact O-CB 3.35Å; F482-L494 HydrophobicContact CB-CD1 4.43Å; L494-G498 WeakPolarHBondContact O-CA 3.41Å; L494-G498 PolarHBondContact O-N 2.83Å
495	G	98.6	Very high	98.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-170.6	-178.2	0	0	0	0	0	113.4	Y148 Y149 S478 Q479 Y497	Y148-G495 VanDerWaalsContact OH-CA 3.27Å; Y148-G495 WeakPolarHBondContact OH-CA 3.29Å; Y149-G495 WeakPolarHBondContact CE1-O 3.37Å; Y149-G495 PolarHBondContact OH-O 3.48Å; Y149-G495 VanDerWaalsContact OH-O 3.06Å; S478-G495 WeakPolarHBondContact O-CA 3.39Å; S478-G495 PolarHBondContact O-N 2.93Å; Q479-G495 WeakPolarHBondContact O-CA 3.35Å; G495-Y497 VanDerWaalsContact C-N 3.3Å
496	E	98.6	Very high	98.5	Very high	94 Å²	94	45.3 Å²	45.3	44%	0.439	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-37.9	169.3	-177.1	179.2	152.4	0	0	111.4	Y148 W152 W156 G498 L499	Y148-E496 PolarHBondContact OH-N 2.62Å; W152-E496 HydrophobicContact CH2-CB 3.9Å; W152-E496 HydrophobicContact CH2-CG 3.63Å; W152-E496 WeakPolarHBondContact CH2-OE2 3.43Å; W152-E496 HydrophobicContact CZ2-CB 3.78Å; W152-E496 HydrophobicContact CZ2-CG 4.04Å; W152-E496 HydrophobicContact CZ3-CG 4.11Å; W156-E496 HydrophobicContact CE3-CG 4.02Å; W156-E496 HydrophobicContact CH2-CG 3.9Å; W156-E496 HydrophobicContact CZ3-CG 3.24Å; W156-E496 VanDerWaalsContact CZ3-OE1 3.28Å; W156-E496 WeakPolarHBondContact CZ3-OE1 3.48Å; E496-G498 PolarHBondContact O-N 3.05Å; E496-L499 VanDerWaalsContact O-CB 3.27Å; E496-L499 WeakPolarHBondContact O-CB 3.46Å; E496-L499 WeakPolarHBondContact O-CG 3.34Å; E496-L499 PolarHBondContact O-N 3.14Å
497	Y	98.6	Very high	98.6	Very high	140 Å²	140	45.9 Å²	45.9	55%	0.549	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-55.6	-34.9	178.6	-63.5	-91	0	0	0	113.3	P481 G495 L499 E500	P481-Y497 HydrophobicContact CB-CD2 3.78Å; P481-Y497 HydrophobicContact CB-CG 4.13Å; P481-Y497 HydrophobicContact CG-CD2 3.68Å; P481-Y497 HydrophobicContact CG-CE2 4.01Å; P481-Y497 HydrophobicContact CG-CG 4.4Å; G495-Y497 VanDerWaalsContact C-N 3.3Å; Y497-L499 PolarHBondContact O-N 3.37Å; Y497-L499 VanDerWaalsContact O-N 3.1Å; Y497-E500 WeakPolarHBondContact O-CB 3.21Å; Y497-E500 PolarHBondContact O-N 2.96Å; Y497-E500 VanDerWaalsContact O-N 3.12Å
498	G	98.6	Very high	98.6	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.021	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.1	176.6	0	0	0	0	0	114	L494 E496 Y502	L494-G498 WeakPolarHBondContact O-CA 3.41Å; L494-G498 PolarHBondContact O-N 2.83Å; E496-G498 PolarHBondContact O-N 3.05Å; G498-Y502 VanDerWaalsContact O-CD2 3.23Å; G498-Y502 WeakPolarHBondContact O-CD2 3.49Å
499	L	98.9	Very high	98.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-79.1	-26.7	177.5	-56	170.6	0	0	0	112.8	Y149 W152 W156 P198 T202 E496 Y497 A501 Y502 T503	Y149-L499 HydrophobicContact CD1-CD2 3.74Å; Y149-L499 HydrophobicContact CE1-CD2 3.64Å; Y149-L499 HydrophobicContact CE1-CG 4.13Å; W152-L499 HydrophobicContact CB-CD1 3.97Å; W152-L499 HydrophobicContact CB-CD2 4.22Å; W152-L499 HydrophobicContact CD2-CD1 3.65Å; W152-L499 HydrophobicContact CE3-CD1 3.62Å; W152-L499 HydrophobicContact CG-CD1 3.82Å; W152-L499 HydrophobicContact CZ3-CD1 4.32Å; W156-L499 HydrophobicContact CB-CD1 4.19Å; W156-L499 HydrophobicContact CD2-CB 3.93Å; W156-L499 HydrophobicContact CD2-CD1 3.8Å; W156-L499 HydrophobicContact CE3-CB 4.39Å; W156-L499 HydrophobicContact CE3-CD1 3.66Å; W156-L499 HydrophobicContact CG-CB 4.2Å; W156-L499 HydrophobicContact CG-CD1 4.06Å; W156-L499 HydrophobicContact CZ2-CB 4.29Å; W156-L499 HydrophobicContact CZ3-CD1 4.36Å; P198-L499 HydrophobicContact CB-CD2 4.26Å; T202-L499 HydrophobicContact CG2-CB 4.23Å; T202-L499 HydrophobicContact CG2-CD2 3.83Å; E496-L499 VanDerWaalsContact O-CB 3.27Å; E496-L499 WeakPolarHBondContact O-CB 3.46Å; E496-L499 WeakPolarHBondContact O-CG 3.34Å; E496-L499 PolarHBondContact O-N 3.14Å; Y497-L499 PolarHBondContact O-N 3.37Å; Y497-L499 VanDerWaalsContact O-N 3.1Å; L499-A501 PolarHBondContact O-N 2.79Å; L499-Y502 PolarHBondContact O-N 3.4Å; L499-Y502 VanDerWaalsContact O-N 3.12Å; L499-T503 PolarHBondContact O-N 3.06Å; L499-T503 PolarHBondContact O-OG1 3.5Å
500	E	98.6	Very high	98.6	Very high	133 Å²	133	53.3 Å²	53.3	62%	0.621	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59	-48.5	-174.6	-176.3	-178.6	177.7	0	0	111	Y497 Y502 T503	Y497-E500 WeakPolarHBondContact O-CB 3.21Å; Y497-E500 PolarHBondContact O-N 2.96Å; Y497-E500 VanDerWaalsContact O-N 3.12Å; E500-Y502 PolarHBondContact O-N 3.18Å; E500-Y502 VanDerWaalsContact O-N 3.11Å; E500-T503 PolarHBondContact O-N 2.85Å; E500-T503 VanDerWaalsContact O-N 3.1Å
501	A	98.3	Very high	98.7	Very high	21 Å²	21	56.3 Å²	56.3	17%	0.174	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.2	-18.3	-178.2	0	0	0	0	0	113.5	K257 T283 L499	K257-A501 WeakPolarHBondContact CD-O 3.26Å; K257-A501 WeakPolarHBondContact CE-O 3.23Å; T283-A501 HydrophobicContact CG2-CB 3.55Å; L499-A501 PolarHBondContact O-N 2.79Å
502	Y	98.9	Very high	98.7	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.016	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-102.1	9.7	-179.9	-68.8	-77.4	0	0	0	113.2	V176 C179 Q181 P198 A199 T202 N204 K257 G498 L499 E500	V176-Y502 PolarHBondContact N-O 3.02Å; C179-Y502 HydrophobicContact CB-CE1 4.33Å; Q181-Y502 PolarHBondContact NE2-OH 3.22Å; P198-Y502 HydrophobicContact CB-CD2 3.79Å; P198-Y502 HydrophobicContact CB-CE2 3.93Å; P198-Y502 HydrophobicContact CG-CD2 4.05Å; P198-Y502 HydrophobicContact CG-CE2 3.64Å; A199-Y502 HydrophobicContact CB-CD1 3.7Å; A199-Y502 HydrophobicContact CB-CE1 3.61Å; A199-Y502 HydrophobicContact CB-CG 4.36Å; T202-Y502 WeakPolarHBondContact OG1-CB 3.45Å; N204-Y502 PolarHBondContact ND2-O 3.38Å; K257-Y502 HydrophobicContact CD-CD1 3.9Å; K257-Y502 HydrophobicContact CD-CE1 4Å; K257-Y502 VanDerWaalsContact CE-CE1 3.45Å; G498-Y502 VanDerWaalsContact O-CD2 3.23Å; G498-Y502 WeakPolarHBondContact O-CD2 3.49Å; L499-Y502 PolarHBondContact O-N 3.4Å; L499-Y502 VanDerWaalsContact O-N 3.12Å; E500-Y502 PolarHBondContact O-N 3.18Å; E500-Y502 VanDerWaalsContact O-N 3.11Å
503	T	98.9	Very high	98.7	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.2	-179.2	-58.2	0	0	0	0	111.2	W156 H173 E174 K281 L499 E500 V505	W156-T503 VanDerWaalsContact CD1-OG1 3.31Å; W156-T503 PolarHBondContact NE1-OG1 2.87Å; H173-T503 HydrophobicContact CB-CG2 3.54Å; E174-T503 CarbonylContact O-C 3.46Å; E174-T503 WeakPolarHBondContact O-CA 3.46Å; K281-T503 PolarHBondContact NZ-O 3.46Å; L499-T503 PolarHBondContact O-N 3.06Å; L499-T503 PolarHBondContact O-OG1 3.5Å; E500-T503 PolarHBondContact O-N 2.85Å; E500-T503 VanDerWaalsContact O-N 3.1Å; T503-V505 HydrophobicContact CG2-CG2 4.29Å
504	E	98.8	Very high	98.6	Very high	87 Å²	87	66.3 Å²	66.3	41%	0.407	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.8	163.3	-172	56.6	-92.8	0	0	109.7	E174 K281	E174-E504 PolarHBondContact N-O 3.05Å; E174-E504 PolarHBondContact O-N 2.86Å; K281-E504 WeakPolarHBondContact CE-OE2 3.4Å; K281-E504 VanDerWaalsContact NZ-CD 3.26Å; K281-E504 IonicContact NZ-OE1 3.12Å; K281-E504 PolarHBondContact NZ-OE1 3.1Å; K281-E504 IonicContact NZ-OE2 3.51Å; K281-E504 PolarHBondContact NZ-OE2 2.91Å
505	V	98.8	Very high	98.6	Very high	76 Å²	76	70 Å²	70	46%	0.461	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.2	-174.4	-178.2	0	0	0	0	108.9	T171 T503	T171-V505 HydrophobicContact CG2-CG1 3.93Å; T503-V505 HydrophobicContact CG2-CG2 4.29Å
506	K	98.8	Very high	98.4	Very high	96 Å²	96	75.7 Å²	75.7	42%	0.417	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117	176	-179.8	-177.9	-65.2	163.2	0	110.8	T171 R172 E174 V508	T171-K506 CarbonylContact C-O 3.51Å; T171-K506 VanDerWaalsContact CA-O 3.27Å; T171-K506 WeakPolarHBondContact CA-O 3.28Å; R172-K506 HydrophobicContact CB-CB 4.36Å; R172-K506 PolarHBondContact N-O 2.87Å; R172-K506 PolarHBondContact O-N 3.42Å; E174-K506 WeakPolarHBondContact OE1-CE 3.3Å; E174-K506 IonicContact OE1-NZ 3.17Å; E174-K506 PolarHBondContact OE1-NZ 2.88Å; E174-K506 WeakPolarHBondContact OE2-CE 3.41Å; E174-K506 IonicContact OE2-NZ 2.89Å; E174-K506 PolarHBondContact OE2-NZ 3.08Å; K506-V508 HydrophobicContact CG-CG2 4.37Å
507	T	98.9	Very high	98	Very high	85 Å²	85	80.3 Å²	80.3	52%	0.521	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.9	170	-58.9	0	0	0	0	110.4	T169	T169-T507 HydrophobicContact CG2-CG2 3.6Å
508	V	98.8	Very high	98	Very high	37 Å²	37	77.4 Å²	77.4	22%	0.224	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.8	172.2	-177	0	0	0	0	108.1	T169 Y170 K506 I510	T169-V508 VanDerWaalsContact CA-O 3.31Å; T169-V508 WeakPolarHBondContact CA-O 3.49Å; Y170-V508 HydrophobicContact CD1-CB 4.22Å; Y170-V508 HydrophobicContact CE1-CB 3.71Å; Y170-V508 HydrophobicContact CE1-CG1 3.72Å; Y170-V508 HydrophobicContact CE2-CB 4.08Å; Y170-V508 HydrophobicContact CE2-CG2 4.11Å; Y170-V508 PolarHBondContact N-O 2.74Å; Y170-V508 PolarHBondContact O-N 2.84Å; K506-V508 HydrophobicContact CG-CG2 4.37Å; V508-I510 HydrophobicContact CG1-CD1 4.44Å; V508-I510 HydrophobicContact CG1-CG1 4.17Å
509	T	98.7	Very high	98	Very high	80 Å²	80	81.3 Å²	81.3	49%	0.491	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.3	179.9	-64	0	0	0	0	109.2	Y167 T169	Y167-T509 HydrophobicContact CD1-CG2 3.83Å; Y167-T509 HydrophobicContact CG-CG2 3.98Å; T169-T509 WeakPolarHBondContact CG2-OG1 3.3Å; T169-T509 WeakPolarHBondContact OG1-CG2 3.16Å; T169-T509 PolarHBondContact OG1-OG1 3Å
510	I	98.8	Very high	97.9	Very high	77 Å²	77	85.8 Å²	85.8	40%	0.395	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.2	-176.8	-58.4	169.9	0	0	0	107.9	Y167 F168 Y170 V508 V512	Y167-I510 CarbonylContact C-O 3.52Å; Y167-I510 VanDerWaalsContact CA-O 3.28Å; Y167-I510 WeakPolarHBondContact CA-O 3.27Å; F168-I510 HydrophobicContact CD1-CD1 4.24Å; F168-I510 PolarHBondContact N-O 3Å; F168-I510 PolarHBondContact O-N 3.42Å; Y170-I510 HydrophobicContact CE1-CD1 4.07Å; V508-I510 HydrophobicContact CG1-CD1 4.44Å; V508-I510 HydrophobicContact CG1-CG1 4.17Å; I510-V512 PolarHBondContact O-N 3.29Å
511	K	98.4	Very high	97.9	Very high	126 Å²	126	83 Å²	83	55%	0.548	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	126.5	169	177.1	67.4	-171.6	174.9	0	108.9	Y167	Y167-K511 HydrophobicContact CD1-CB 4.18Å; Y167-K511 HydrophobicContact CD1-CD 4.13Å; Y167-K511 HydrophobicContact CE1-CB 4.05Å; Y167-K511 HydrophobicContact CE1-CD 3.62Å; Y167-K511 HydrophobicContact CE1-CG 4.44Å
512	V	98.5	Very high	97.8	Very high	35 Å²	35	86.9 Å²	86.9	21%	0.212	48%	0.484	C	S	.	.			trans	-112	156.8	172.1	-62.4	0	0	0	0	110.1	D166 F168 I510 Q514 K515	D166-V512 VanDerWaalsContact C-CG2 3.44Å; D166-V512 HydrophobicContact CB-CG2 4.23Å; D166-V512 WeakPolarHBondContact CB-O 3.45Å; D166-V512 WeakPolarHBondContact O-CG2 3.45Å; D166-V512 PolarHBondContact O-N 3.48Å; F168-V512 HydrophobicContact CB-CG1 3.8Å; I510-V512 PolarHBondContact O-N 3.29Å; V512-Q514 VanDerWaalsContact C-N 3.33Å; V512-Q514 PolarHBondContact O-N 3.48Å; V512-K515 HydrophobicContact CG2-CB 4.31Å
513	P	97.9	Very high	97.8	Very high	134 Å²	134	92.4 Å²	92.4	87%	0.87	52%	0.516	S	S	*	.	S	Bend	trans	-59.6	-42.8	178.1	-26.4	35.8	0	0	0	112.9
514	Q	97.9	Very high	97.7	Very high	153 Å²	153	98.4 Å²	98.4	72%	0.715	55%	0.549	S	S	*	.	S	Bend	trans	-156	127.5	179	-174.2	174.3	32.7	0	0	108.7	D166 V512	D166-Q514 WeakPolarHBondContact OD1-CA 3.21Å; V512-Q514 VanDerWaalsContact C-N 3.33Å; V512-Q514 PolarHBondContact O-N 3.48Å
515	K	97.6	Very high	97.6	Very high	82 Å²	82	99.3 Å²	99.3	36%	0.357	56%	0.56	S	S	.	*			trans	-82.8	136.4	175	179.2	-172.8	66.5	174.2	0	110.4	V163 G165 D166 V512	V163-K515 PolarHBondContact O-NZ 3.48Å; G165-K515 WeakPolarHBondContact O-CD 3.46Å; G165-K515 WeakPolarHBondContact O-CE 3.36Å; G165-K515 PolarHBondContact O-NZ 2.78Å; D166-K515 PolarHBondContact OD1-N 2.86Å; V512-K515 HydrophobicContact CG2-CB 4.31Å
516	T	95.6	Very high	97.5	Very high	118 Å²	118	101.3 Å²	101.3	72%	0.724	57%	0.568	S	S	*	*			trans	-117.2	152.5	171.3	58.3	0	0	0	0	110.7
517	S	90.2	Very high	97.4	Very high	192 Å²	192	101.7 Å²	101.7	100%	1.343	58%	0.582	S	S	*	*			trans	-71.6	0	179.1	60.3	0	0	0	0	113.7

Retrieved 517 of 517 residues in 514 ms (Link to these results)

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