A0A0D9S3S0_CHLSB Loading...

aldehyde dehydrogenase (NAD(+))

AlphaFold DB , UniProt , Accession A0A0D9S3S0, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene ALDH2, 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	32.7	Very low	29.3	Very low	229 Å²	229	159.1 Å²	159.1	100%	1.128	83%	0.834	S	S	*	*				0	105.3	0	-77.3	177.2	179.6	0	0	107.9
2	L	27.2	Very low	29.8	Very low	136 Å²	136	157.5 Å²	157.5	71%	0.712	83%	0.826	S	S	*	*				74.1	102.9	122.2	-82.6	119	0	0	0	114.4
3	R	26.4	Very low	29.9	Very low	234 Å²	234	149.4 Å²	149.4	88%	0.883	80%	0.803	S	S	*	*				82.6	142.8	105.3	-78.9	-163.3	-170.4	-177.3	-3.9	111.3
4	A	27.2	Very low	30.2	Very low	93 Å²	93	147.6 Å²	147.6	77%	0.769	79%	0.793	S	S	*	*			cis	177.2	167.4	8	0	0	0	0	0	103.7
5	A	26.8	Very low	30.5	Very low	93 Å²	93	150.1 Å²	150.1	77%	0.769	79%	0.786	S	S	*	*			cis	-163.5	142.6	-3.3	0	0	0	0	0	106
6	A	28	Very low	30.9	Very low	85 Å²	85	149.5 Å²	149.5	70%	0.702	78%	0.776	S	S	*	*			trans	-74.1	132.1	169.2	0	0	0	0	0	110.2	F8	A6-F8 PolarHBondContact O-N 3.36Å
7	R	26.9	Very low	31.3	Very low	251 Å²	251	145.5 Å²	145.5	95%	0.947	76%	0.755	S	S	*	*			trans	-77.4	105.3	172.5	-74.5	177.4	173.1	-179.5	-2.5	109.1
8	F	29.3	Very low	31.4	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.873	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-89.2	127.1	161.1	-86.3	-88	0	0	0	109.3	A6	A6-F8 PolarHBondContact O-N 3.36Å
9	G	26.7	Very low	31.5	Very low	66 Å²	66	139.6 Å²	139.6	68%	0.68	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-71.8	168.9	178.7	0	0	0	0	0	113.7
10	P	31.7	Very low	31.8	Very low	124 Å²	124	135.5 Å²	135.5	81%	0.805	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-80.3	126.6	-165.2	24.2	-19.5	0	0	0	113.8
11	R	39.6	Very low	32.2	Very low	240 Å²	240	132.3 Å²	132.3	91%	0.906	73%	0.727	S	S	*	*			trans	19.9	97.2	147.5	-66.1	-179.6	176.8	-176.5	-2.7	117.1
12	L	35.1	Very low	32.7	Very low	140 Å²	140	128.5 Å²	128.5	73%	0.733	72%	0.717	S	S	*	*			trans	-91	0	168.4	-121.6	82.2	0	0	0	114.5	L14	L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.02Å
13	G	31.2	Very low	34	Very low	52 Å²	52	128.2 Å²	128.2	54%	0.536	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	17.4	-169.4	0	0	0	0	0	117.6
14	L	33.9	Very low	36.8	Very low	125 Å²	125	121.3 Å²	121.3	65%	0.654	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	9.2	-177.3	-112	101.9	0	0	0	115	L12 F16 L17	L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.31Å; L14-L17 PolarHBondContact O-N 2.75Å
15	R	34.7	Very low	40	Very low	185 Å²	185	119.2 Å²	119.2	70%	0.698	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-12	-169.9	-87.7	-175.3	173.7	-174.3	-1.1	116.2	S18	R15-S18 VanDerWaalsContact O-CB 3.25Å; R15-S18 WeakPolarHBondContact O-CB 3.36Å; R15-S18 PolarHBondContact O-N 2.67Å
16	F	36.5	Very low	43.4	Very low	140 Å²	140	117 Å²	117	61%	0.614	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-9.2	174.1	-87.2	-105.1	0	0	0	114.3	L14 W302	L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.31Å; F16-W302 HydrophobicContact CD1-CH2 4.31Å; F16-W302 AromaticContact CD2-CH2 3.23Å; F16-W302 HydrophobicContact CD2-CH2 3.23Å; F16-W302 HydrophobicContact CD2-CZ2 4.31Å; F16-W302 AromaticContact CD2-CZ3 3.52Å; F16-W302 HydrophobicContact CD2-CZ3 3.52Å; F16-W302 AromaticContact CE1-CH2 3.9Å; F16-W302 HydrophobicContact CE1-CH2 3.9Å; F16-W302 HydrophobicContact CE1-CZ2 4.2Å; F16-W302 HydrophobicContact CE2-CE3 4.37Å; F16-W302 AromaticContact CE2-CH2 2.77Å; F16-W302 HydrophobicContact CE2-CH2 2.77Å; F16-W302 AromaticContact CE2-CZ2 3.5Å; F16-W302 HydrophobicContact CE2-CZ2 3.5Å; F16-W302 AromaticContact CE2-CZ3 3.27Å; F16-W302 HydrophobicContact CE2-CZ3 3.27Å; F16-W302 HydrophobicContact CG-CH2 4.01Å; F16-W302 AromaticContact CZ-CH2 3.12Å; F16-W302 HydrophobicContact CZ-CH2 3.12Å; F16-W302 AromaticContact CZ-CZ2 3.39Å; F16-W302 HydrophobicContact CZ-CZ2 3.39Å; F16-W302 HydrophobicContact CZ-CZ3 4.07Å
17	L	37.8	Very low	46.7	Very low	82 Å²	82	117.2 Å²	117.2	43%	0.429	66%	0.662	S	S	.	*	S	Bend	trans	-90.4	-5.9	161.4	-73.1	160.5	0	0	0	112	L14 A19 A20 L136	L14-L17 PolarHBondContact O-N 2.75Å; L17-A19 PolarHBondContact O-N 3.18Å; L17-A20 PolarHBondContact O-N 2.88Å; L17-L136 HydrophobicContact CD2-CD1 3.96Å
18	S	34	Very low	50	Low	68 Å²	68	106.9 Å²	106.9	48%	0.476	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-9.7	-169.2	-176.3	0	0	0	0	115.3	R15 A21	R15-S18 VanDerWaalsContact O-CB 3.25Å; R15-S18 WeakPolarHBondContact O-CB 3.36Å; R15-S18 PolarHBondContact O-N 2.67Å; S18-A21 WeakPolarHBondContact O-CB 3.26Å
19	A	32.7	Very low	53.3	Low	110 Å²	110	101.8 Å²	101.8	91%	0.909	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-11.1	169.2	0	0	0	0	0	112.6	L17	L17-A19 PolarHBondContact O-N 3.18Å
20	A	36.8	Very low	56.7	Low	58 Å²	58	103.3 Å²	103.3	48%	0.479	60%	0.599	S	S	.	*	S	Bend	trans	-102.5	14.3	170.9	0	0	0	0	0	112.4	L17 T22	L17-A20 PolarHBondContact O-N 2.88Å; A20-T22 VanDerWaalsContact C-N 3.29Å; A20-T22 PolarHBondContact O-N 3.27Å
21	A	40.1	Very low	59.9	Low	69 Å²	69	105.1 Å²	105.1	57%	0.57	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	76.9	-178.8	0	0	0	0	0	111.6	S18	S18-A21 WeakPolarHBondContact O-CB 3.26Å
22	T	43.8	Very low	62.7	Low	148 Å²	148	94 Å²	94	91%	0.908	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	-14.5	150.1	34.7	0	0	0	0	113.4	A20	A20-T22 VanDerWaalsContact C-N 3.29Å; A20-T22 PolarHBondContact O-N 3.27Å
23	Q	54.8	Low	65.7	Low	130 Å²	130	93.6 Å²	93.6	61%	0.607	55%	0.55	S	S	*	.			trans	-99	112.6	-179.7	-122.5	169.5	8.4	0	0	111.6	V25	Q23-V25 PolarHBondContact O-N 3.09Å
24	A	84.9	Confident	68.9	Low	89 Å²	89	93.3 Å²	93.3	74%	0.736	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-62.2	131.7	168.6	0	0	0	0	0	109.5	P26	A24-P26 WeakPolarHBondContact O-CD 3.27Å
25	V	94.9	Very high	72	Confident	49 Å²	49	93 Å²	93	30%	0.297	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-66.7	123.3	176	-177.2	0	0	0	0	108.6	Q23 Y131 V132 Y135 L136	Q23-V25 PolarHBondContact O-N 3.09Å; V25-Y131 HydrophobicContact CG1-CD1 4.21Å; V25-Y131 HydrophobicContact CG1-CE1 3.54Å; V25-V132 HydrophobicContact CG2-CG1 4.46Å; V25-Y135 HydrophobicContact CG1-CD1 4.02Å; V25-Y135 HydrophobicContact CG1-CG 4.17Å; V25-Y135 HydrophobicContact CG2-CD1 4.4Å; V25-L136 HydrophobicContact CG2-CD1 3.68Å; V25-L136 HydrophobicContact CG2-CD2 3.96Å; V25-L136 HydrophobicContact CG2-CG 3.8Å
26	P	96.9	Very high	75.1	Confident	46 Å²	46	84.4 Å²	84.4	30%	0.299	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-59.3	152.3	177.1	-24.2	35.2	0	0	0	112	A24 T117 Y131 Y135	A24-P26 WeakPolarHBondContact O-CD 3.27Å; P26-T117 HydrophobicContact CB-CG2 4.18Å; P26-Y131 VanDerWaalsContact O-CE1 3.29Å; P26-Y131 WeakPolarHBondContact O-CE1 3.43Å; P26-Y131 PolarHBondContact O-OH 2.81Å; P26-Y135 HydrophobicContact CG-CE2 3.97Å
27	A	97.4	Very high	78	Confident	90 Å²	90	80.5 Å²	80.5	74%	0.744	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-63.3	129.7	173.6	0	0	0	0	0	110.2
28	P	97.7	Very high	80.9	Confident	34 Å²	34	80.1 Å²	80.1	22%	0.221	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-73.9	145.3	177.8	27.5	-31.7	0	0	0	111.4	Q30 Y131 F352	P28-Q30 HydrophobicContact CG-CG 4.49Å; P28-Q30 PolarHBondContact O-N 2.92Å; P28-Y131 HydrophobicContact CB-CD1 3.74Å; P28-Y131 HydrophobicContact CB-CD2 3.82Å; P28-Y131 HydrophobicContact CB-CE1 3.67Å; P28-Y131 HydrophobicContact CB-CE2 3.75Å; P28-Y131 HydrophobicContact CB-CG 3.81Å; P28-Y131 HydrophobicContact CG-CD1 3.71Å; P28-Y131 HydrophobicContact CG-CE1 3.86Å; P28-Y131 HydrophobicContact CG-CG 4.11Å; P28-F352 HydrophobicContact CB-CD1 3.74Å; P28-F352 HydrophobicContact CB-CE1 4.06Å; P28-F352 HydrophobicContact CG-CD1 3.91Å
29	N	98.3	Very high	84	Confident	93 Å²	93	76.9 Å²	76.9	50%	0.497	46%	0.457	S	S	.	.			trans	-73.9	115.2	151.2	180	0.4	0	0	0	107.3	Q31 P32 A121	N29-Q31 PolarHBondContact ND2-O 2.73Å; N29-Q31 PolarHBondContact O-N 2.98Å; N29-Q31 VanDerWaalsContact OD1-C 3.31Å; N29-Q31 PolarHBondContact OD1-N 3.15Å; N29-Q31 PolarHBondContact OD1-O 3.22Å; N29-P32 WeakPolarHBondContact O-CD 3.45Å; N29-A121 WeakPolarHBondContact O-CB 3.45Å
30	Q	98.2	Very high	87.2	Confident	98 Å²	98	71.7 Å²	71.7	46%	0.458	41%	0.414	S	S	.	.	S	Bend	trans	-76.3	-13.6	-177	-56.4	-170.5	22.4	0	0	113.3	P28 F352	P28-Q30 HydrophobicContact CG-CG 4.49Å; P28-Q30 PolarHBondContact O-N 2.92Å; Q30-F352 HydrophobicContact CB-CB 4.43Å; Q30-F352 HydrophobicContact CB-CD1 4.3Å; Q30-F352 HydrophobicContact CB-CD2 4.06Å; Q30-F352 HydrophobicContact CB-CE2 4.36Å; Q30-F352 HydrophobicContact CB-CG 4.02Å; Q30-F352 HydrophobicContact CG-CB 3.8Å; Q30-F352 HydrophobicContact CG-CD1 4.05Å; Q30-F352 HydrophobicContact CG-CD2 4.34Å; Q30-F352 HydrophobicContact CG-CG 3.82Å; Q30-F352 WeakPolarHBondContact O-CE2 3.47Å
31	Q	98.3	Very high	90.1	Very high	161 Å²	161	69.2 Å²	69.2	75%	0.752	39%	0.393	S	S	*	.	S	Bend	trans	-131.1	68.8	175.6	-63.5	-175.6	13.4	0	0	108.7	N29 E33	N29-Q31 PolarHBondContact ND2-O 2.73Å; N29-Q31 PolarHBondContact O-N 2.98Å; N29-Q31 VanDerWaalsContact OD1-C 3.31Å; N29-Q31 PolarHBondContact OD1-N 3.15Å; N29-Q31 PolarHBondContact OD1-O 3.22Å; Q31-E33 PolarHBondContact O-N 3.02Å
32	P	98.6	Very high	92.9	Very high	7 Å²	7	69 Å²	69	5%	0.045	38%	0.382	C	S	.	.			trans	-62.9	137.1	178	28.4	-34.4	0	0	0	110.5	N29 Y118 A121 L122 L125	N29-P32 WeakPolarHBondContact O-CD 3.45Å; P32-Y118 HydrophobicContact CB-CD2 4.12Å; P32-Y118 HydrophobicContact CB-CE2 3.94Å; P32-A121 HydrophobicContact CB-CB 4.41Å; P32-A121 HydrophobicContact CG-CB 4.15Å; P32-L122 HydrophobicContact CG-CB 4.21Å; P32-L122 HydrophobicContact CG-CD1 4.24Å; P32-L125 HydrophobicContact CG-CB 4.28Å; P32-L125 HydrophobicContact CG-CD2 3.99Å
33	E	98.6	Very high	95.5	Very high	132 Å²	132	62.7 Å²	62.7	62%	0.617	34%	0.343	S	S	*	.			trans	-66.2	146.3	174.7	-68.3	-176.8	-178.5	0	0	111.3	Q31 F35 Y118	Q31-E33 PolarHBondContact O-N 3.02Å; E33-F35 HydrophobicContact CB-CE1 4Å; E33-F35 HydrophobicContact CB-CE2 4.27Å; E33-F35 HydrophobicContact CB-CZ 3.73Å; E33-F35 WeakPolarHBondContact OE2-CE1 3.28Å; E33-Y118 VanDerWaalsContact O-CE2 3.27Å; E33-Y118 WeakPolarHBondContact O-CE2 3.29Å; E33-Y118 PolarHBondContact O-OH 2.81Å
34	V	98.8	Very high	97.7	Very high	45 Å²	45	61.9 Å²	61.9	27%	0.273	34%	0.339	S	S	.	.			trans	-99.6	115	176.9	-178.2	0	0	0	0	109.7	N37 I65 L122 L216	V34-N37 HydrophobicContact CG1-CB 4.47Å; V34-I65 HydrophobicContact CG2-CG2 3.86Å; V34-L122 HydrophobicContact CG2-CD1 4.24Å; V34-L216 HydrophobicContact CG1-CD1 4.36Å; V34-L216 HydrophobicContact CG1-CD2 3.9Å; V34-L216 HydrophobicContact CG2-CD1 3.87Å
35	F	98.6	Very high	98.3	Very high	118 Å²	118	60.9 Å²	60.9	52%	0.518	32%	0.316	S	S	.	.			trans	-97.7	-20.3	-179.5	-55.5	-68.2	0	0	0	113.9	E33 Y118 Y220	E33-F35 HydrophobicContact CB-CE1 4Å; E33-F35 HydrophobicContact CB-CE2 4.27Å; E33-F35 HydrophobicContact CB-CZ 3.73Å; E33-F35 WeakPolarHBondContact OE2-CE1 3.28Å; F35-Y118 HydrophobicContact CD2-CE1 4.47Å; F35-Y118 HydrophobicContact CD2-CE2 4.15Å; F35-Y118 AromaticContact CD2-CZ 3.73Å; F35-Y118 VanDerWaalsContact CD2-OH 3.23Å; F35-Y118 WeakPolarHBondContact CD2-OH 3.45Å; F35-Y118 AromaticContact CE2-CE2 3.7Å; F35-Y118 HydrophobicContact CE2-CE2 3.7Å; F35-Y118 AromaticContact CE2-CZ 3.76Å; F35-Y220 HydrophobicContact CD2-CD2 4.24Å; F35-Y220 AromaticContact CD2-CE2 3.81Å; F35-Y220 HydrophobicContact CD2-CE2 3.81Å
36	C	98.6	Very high	98.5	Very high	6 Å²	6	60.8 Å²	60.8	4%	0.041	31%	0.312	C	S	.	.			trans	-134.2	110.6	-170.3	-57.9	0	0	0	0	110.6	W45 L219	C36-W45 HydrophobicContact CB-CH2 3.62Å; C36-W45 HydrophobicContact CB-CZ2 3.66Å; C36-W45 HydrophobicContact CB-CZ3 4.35Å; C36-W45 WeakPolarHBondContact SG-CZ2 3.27Å; C36-L219 HydrophobicContact CB-CB 3.91Å
37	N	98.7	Very high	98.6	Very high	57 Å²	57	61.8 Å²	61.8	31%	0.305	32%	0.315	S	S	.	.			trans	-140.7	23.1	-177.5	69	-17.8	0	0	0	113.1	V34 Q67 V68 A69	V34-N37 HydrophobicContact CG1-CB 4.47Å; N37-Q67 WeakPolarHBondContact CB-O 3.32Å; N37-Q67 PolarHBondContact ND2-O 2.84Å; N37-V68 HydrophobicContact CB-CG2 4.3Å; N37-V68 CarbonylContact O-C 3.25Å; N37-V68 WeakPolarHBondContact O-CA 3.41Å; N37-A69 PolarHBondContact O-N 3.4Å
38	K	98.9	Very high	98.7	Very high	75 Å²	75	57.6 Å²	57.6	33%	0.326	28%	0.28	S	S	.	.	S	Bend	trans	-118.3	174.9	-174.8	-78	-177.2	-173.8	178.6	0	111	W45 H46 N47 L219	K38-W45 HydrophobicContact CB-CB 4.15Å; K38-W45 HydrophobicContact CB-CD2 4.4Å; K38-W45 HydrophobicContact CB-CE3 3.68Å; K38-W45 HydrophobicContact CB-CZ3 4.46Å; K38-W45 HydrophobicContact CD-CB 4.14Å; K38-W45 VanDerWaalsContact O-CZ3 3.24Å; K38-W45 WeakPolarHBondContact O-CZ3 3.4Å; K38-H46 WeakPolarHBondContact CB-O 3.15Å; K38-N47 VanDerWaalsContact CE-OD1 3.28Å; K38-N47 WeakPolarHBondContact CE-OD1 3.35Å; K38-L219 WeakPolarHBondContact O-CD2 3.34Å
39	I	98.9	Very high	98.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.5	170.6	-67.2	155.3	0	0	0	108.8	I41 W45 H46 A48 A69 D75 V238 P239	I39-I41 HydrophobicContact CG2-CD1 3.6Å; I39-I41 HydrophobicContact CG2-CG1 3.78Å; I39-W45 CarbonylContact O-C 3.44Å; I39-W45 WeakPolarHBondContact O-CA 3.33Å; I39-H46 HydrophobicContact CB-CB 4.38Å; I39-H46 PolarHBondContact N-O 3.44Å; I39-H46 PolarHBondContact O-N 3.32Å; I39-A48 HydrophobicContact CD1-CB 3.93Å; I39-A69 HydrophobicContact CD1-CB 4.2Å; I39-A69 HydrophobicContact CG1-CB 4.05Å; I39-D75 HydrophobicContact CD1-CB 3.89Å; I39-V238 HydrophobicContact CG1-CG1 4.47Å; I39-V238 HydrophobicContact CG2-CG2 4.21Å; I39-P239 HydrophobicContact CG1-CG 4.25Å
40	F	98.9	Very high	98.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.5	-179.8	-174.1	-98.3	0	0	0	110.4	N43 E44 W45 A222 K226 V235 N236 I237	F40-N43 VanDerWaalsContact CZ-CA 3.48Å; F40-N43 HydrophobicContact CZ-CB 4.21Å; F40-E44 WeakPolarHBondContact CA-O 3.16Å; F40-W45 HydrophobicContact CB-CE3 4.12Å; F40-W45 HydrophobicContact CB-CH2 4.12Å; F40-W45 HydrophobicContact CB-CZ3 3.73Å; F40-W45 HydrophobicContact CD2-CD2 4.12Å; F40-W45 AromaticContact CD2-CE2 3.93Å; F40-W45 HydrophobicContact CD2-CE3 4.17Å; F40-W45 AromaticContact CD2-CH2 3.9Å; F40-W45 HydrophobicContact CD2-CH2 3.9Å; F40-W45 AromaticContact CD2-CZ2 3.83Å; F40-W45 HydrophobicContact CD2-CZ2 3.83Å; F40-W45 HydrophobicContact CD2-CZ3 4.08Å; F40-W45 HydrophobicContact CE2-CZ2 4.38Å; F40-W45 HydrophobicContact CG-CH2 4.4Å; F40-W45 HydrophobicContact CG-CZ3 4.38Å; F40-A222 HydrophobicContact CB-CB 4.06Å; F40-A222 HydrophobicContact CD1-CB 3.78Å; F40-A222 HydrophobicContact CD2-CB 3.75Å; F40-A222 HydrophobicContact CE1-CB 4.03Å; F40-A222 HydrophobicContact CE2-CB 4Å; F40-A222 WeakPolarHBondContact CE2-O 3.09Å; F40-A222 HydrophobicContact CG-CB 3.6Å; F40-A222 HydrophobicContact CZ-CB 4.1Å; F40-A222 WeakPolarHBondContact CZ-O 3.48Å; F40-K226 HydrophobicContact CE2-CB 4.48Å; F40-K226 HydrophobicContact CZ-CB 4.19Å; F40-V235 WeakPolarHBondContact CD1-O 3.27Å; F40-V235 WeakPolarHBondContact CE1-O 3.25Å; F40-N236 CarbonylContact O-C 3.59Å; F40-N236 WeakPolarHBondContact O-CA 3.3Å; F40-I237 HydrophobicContact CB-CB 4.21Å; F40-I237 PolarHBondContact N-O 3.16Å; F40-I237 PolarHBondContact O-N 2.8Å
41	I	98.9	Very high	98.7	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.9	178.8	-64.6	167.1	0	0	0	108.3	I39 N43 E44 H46 K78 A79 A82 N236	I39-I41 HydrophobicContact CG2-CD1 3.6Å; I39-I41 HydrophobicContact CG2-CG1 3.78Å; I41-N43 VanDerWaalsContact C-N 3.27Å; I41-N43 PolarHBondContact O-N 3.07Å; I41-E44 PolarHBondContact N-O 3.07Å; I41-E44 PolarHBondContact O-N 3.24Å; I41-H46 PolarHBondContact O-NE2 3.12Å; I41-H46 VanDerWaalsContact O-NE2 3.11Å; I41-K78 HydrophobicContact CD1-CB 3.98Å; I41-A79 HydrophobicContact CD1-CB 3.9Å; I41-A79 HydrophobicContact CG1-CB 3.9Å; I41-A82 HydrophobicContact CG2-CB 3.58Å; I41-N236 WeakPolarHBondContact CA-OD1 3.3Å; I41-N236 HydrophobicContact CG1-CB 4.34Å
42	N	98.8	Very high	98.7	Very high	65 Å²	65	60 Å²	60	35%	0.348	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.4	-179.7	-80.4	-28.6	0	0	0	114.3	E44 A82 P232 G233 N236	N42-E44 PolarHBondContact O-N 3.12Å; N42-A82 WeakPolarHBondContact OD1-CB 3.39Å; N42-P232 HydrophobicContact CB-CB 4.15Å; N42-G233 WeakPolarHBondContact OD1-CA 3.32Å; N42-G233 PolarHBondContact OD1-N 3.33Å; N42-N236 PolarHBondContact N-OD1 2.98Å
43	N	98.9	Very high	98.8	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.08	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	24.7	-176.2	-64	-4.4	0	0	0	114.4	F40 I41 K226 F230	F40-N43 VanDerWaalsContact CZ-CA 3.48Å; F40-N43 HydrophobicContact CZ-CB 4.21Å; I41-N43 VanDerWaalsContact C-N 3.27Å; I41-N43 PolarHBondContact O-N 3.07Å; N43-K226 HydrophobicContact CB-CB 4.27Å; N43-K226 HydrophobicContact CB-CD 4.13Å; N43-K226 HydrophobicContact CB-CG 4.01Å; N43-K226 WeakPolarHBondContact O-CD 3.24Å; N43-K226 WeakPolarHBondContact O-CE 3.43Å; N43-K226 PolarHBondContact O-NZ 2.79Å; N43-F230 PolarHBondContact ND2-O 3.12Å
44	E	98.9	Very high	98.8	Very high	113 Å²	113	56.9 Å²	56.9	53%	0.528	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.3	179.9	-67.4	178.8	175.2	0	0	111.2	F40 I41 N42 H46	F40-E44 WeakPolarHBondContact CA-O 3.16Å; I41-E44 PolarHBondContact N-O 3.07Å; I41-E44 PolarHBondContact O-N 3.24Å; N42-E44 PolarHBondContact O-N 3.12Å; E44-H46 WeakPolarHBondContact CB-NE2 3.14Å; E44-H46 PolarHBondContact O-CD2 3.42Å; E44-H46 IonicContact OE2-CE1 3.83Å
45	W	98.9	Very high	98.8	Very high	69 Å²	69	57.8 Å²	57.8	26%	0.261	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.7	-177.7	-69.1	112.3	0	0	0	111.2	C36 K38 I39 F40 L219 A222 N223	C36-W45 HydrophobicContact CB-CH2 3.62Å; C36-W45 HydrophobicContact CB-CZ2 3.66Å; C36-W45 HydrophobicContact CB-CZ3 4.35Å; C36-W45 WeakPolarHBondContact SG-CZ2 3.27Å; K38-W45 HydrophobicContact CB-CB 4.15Å; K38-W45 HydrophobicContact CB-CD2 4.4Å; K38-W45 HydrophobicContact CB-CE3 3.68Å; K38-W45 HydrophobicContact CB-CZ3 4.46Å; K38-W45 HydrophobicContact CD-CB 4.14Å; K38-W45 VanDerWaalsContact O-CZ3 3.24Å; K38-W45 WeakPolarHBondContact O-CZ3 3.4Å; I39-W45 CarbonylContact O-C 3.44Å; I39-W45 WeakPolarHBondContact O-CA 3.33Å; F40-W45 HydrophobicContact CB-CE3 4.12Å; F40-W45 HydrophobicContact CB-CH2 4.12Å; F40-W45 HydrophobicContact CB-CZ3 3.73Å; F40-W45 HydrophobicContact CD2-CD2 4.12Å; F40-W45 AromaticContact CD2-CE2 3.93Å; F40-W45 HydrophobicContact CD2-CE3 4.17Å; F40-W45 AromaticContact CD2-CH2 3.9Å; F40-W45 HydrophobicContact CD2-CH2 3.9Å; F40-W45 AromaticContact CD2-CZ2 3.83Å; F40-W45 HydrophobicContact CD2-CZ2 3.83Å; F40-W45 HydrophobicContact CD2-CZ3 4.08Å; F40-W45 HydrophobicContact CE2-CZ2 4.38Å; F40-W45 HydrophobicContact CG-CH2 4.4Å; F40-W45 HydrophobicContact CG-CZ3 4.38Å; W45-L219 HydrophobicContact CH2-CB 4Å; W45-L219 HydrophobicContact CH2-CD2 4.45Å; W45-L219 WeakPolarHBondContact CH2-O 3.46Å; W45-L219 HydrophobicContact CZ3-CB 4.34Å; W45-L219 HydrophobicContact CZ3-CD2 4.15Å; W45-A222 HydrophobicContact CH2-CB 4Å; W45-A222 HydrophobicContact CZ2-CB 4.39Å; W45-N223 HydrophobicContact CZ2-CB 4.27Å
46	H	98.9	Very high	98.8	Very high	47 Å²	47	52.2 Å²	52.2	22%	0.218	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.8	-175.4	-57.6	-89.9	0	0	0	110.6	K38 I39 I41 E44	K38-H46 WeakPolarHBondContact CB-O 3.15Å; I39-H46 HydrophobicContact CB-CB 4.38Å; I39-H46 PolarHBondContact N-O 3.44Å; I39-H46 PolarHBondContact O-N 3.32Å; I41-H46 PolarHBondContact O-NE2 3.12Å; I41-H46 VanDerWaalsContact O-NE2 3.11Å; E44-H46 WeakPolarHBondContact CB-NE2 3.14Å; E44-H46 PolarHBondContact O-CD2 3.42Å; E44-H46 IonicContact OE2-CE1 3.83Å
47	N	98.8	Very high	98.8	Very high	67 Å²	67	53.8 Å²	53.8	36%	0.358	27%	0.269	S	S	.	.			trans	-72.5	157.7	159.6	-62.7	-44.2	0	0	0	108.9	K38 R51	K38-N47 VanDerWaalsContact CE-OD1 3.28Å; K38-N47 WeakPolarHBondContact CE-OD1 3.35Å; N47-R51 PolarHBondContact ND2-NH1 3.23Å
48	A	98.7	Very high	98.8	Very high	1 Å²	1	52 Å²	52	1%	0.008	26%	0.259	C	S	.	.			trans	-55.9	148.2	168.8	0	0	0	0	0	110.6	I39 S50 R51 E70	I39-A48 HydrophobicContact CD1-CB 3.93Å; A48-S50 PolarHBondContact O-N 2.77Å; A48-R51 WeakPolarHBondContact O-CA 3.26Å; A48-R51 PolarHBondContact O-N 3.39Å; A48-E70 WeakPolarHBondContact CB-O 3.33Å
49	V	98.6	Very high	98.8	Very high	78 Å²	78	48.5 Å²	48.5	47%	0.473	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.2	173.8	168.5	0	0	0	0	110.4	R51 E74 D75 K78	V49-R51 PolarHBondContact O-N 2.83Å; V49-E74 HydrophobicContact CB-CB 4.2Å; V49-E74 HydrophobicContact CG1-CB 4.31Å; V49-E74 HydrophobicContact CG2-CB 4.1Å; V49-D75 WeakPolarHBondContact CG2-OD1 3.14Å; V49-D75 PolarHBondContact N-OD1 3.44Å; V49-D75 PolarHBondContact N-OD2 3.32Å; V49-K78 HydrophobicContact CG2-CD 3.92Å
50	S	98.4	Very high	98.8	Very high	56 Å²	56	49.3 Å²	49.3	39%	0.392	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13	177.2	68.9	0	0	0	0	114.4	A48 K52	A48-S50 PolarHBondContact O-N 2.77Å; S50-K52 PolarHBondContact O-N 2.99Å; S50-K52 VanDerWaalsContact O-N 3.11Å; S50-K52 WeakPolarHBondContact OG-CB 3.4Å; S50-K52 PolarHBondContact OG-N 3.07Å; S50-K52 VanDerWaalsContact OG-N 3.16Å
51	R	98.6	Very high	98.8	Very high	182 Å²	182	51.2 Å²	51.2	69%	0.687	26%	0.261	S	S	*	.			trans	59.1	6	-167.4	-56.4	-64.8	-176.4	147.9	-4.3	115	N47 A48 V49	N47-R51 PolarHBondContact ND2-NH1 3.23Å; A48-R51 WeakPolarHBondContact O-CA 3.26Å; A48-R51 PolarHBondContact O-N 3.39Å; V49-R51 PolarHBondContact O-N 2.83Å
52	K	98.8	Very high	98.7	Very high	120 Å²	120	52.7 Å²	52.7	52%	0.522	28%	0.278	S	S	.	.			trans	-69	156.7	175.9	-66.4	-179.8	-178.8	176.3	0	111.4	S50 E70	S50-K52 PolarHBondContact O-N 2.99Å; S50-K52 VanDerWaalsContact O-N 3.11Å; S50-K52 WeakPolarHBondContact OG-CB 3.4Å; S50-K52 PolarHBondContact OG-N 3.07Å; S50-K52 VanDerWaalsContact OG-N 3.16Å; K52-E70 HydrophobicContact CB-CB 4Å; K52-E70 WeakPolarHBondContact CB-OE2 3.47Å; K52-E70 PolarHBondContact O-N 3.43Å
53	T	98.9	Very high	98.7	Very high	69 Å²	69	54.6 Å²	54.6	42%	0.423	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.9	173.6	63	0	0	0	0	109.8	Q67 V68	T53-Q67 HydrophobicContact CG2-CB 4.43Å; T53-Q67 PolarHBondContact OG1-OE1 2.74Å; T53-V68 CarbonylContact C-O 3.59Å; T53-V68 WeakPolarHBondContact CA-O 3.44Å; T53-V68 WeakPolarHBondContact CB-O 3.49Å
54	F	98.9	Very high	98.7	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.022	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.3	171.1	69	-87.7	0	0	0	111	Q67 V68 A69 E70 E212 P215 P239 F241	F54-Q67 PolarHBondContact O-OE1 3.36Å; F54-V68 HydrophobicContact CD1-CB 4.47Å; F54-V68 HydrophobicContact CE1-CB 3.99Å; F54-V68 HydrophobicContact CE1-CG1 3.97Å; F54-V68 HydrophobicContact CE2-CB 4.2Å; F54-V68 HydrophobicContact CZ-CB 3.84Å; F54-V68 HydrophobicContact CZ-CG1 3.85Å; F54-V68 PolarHBondContact N-O 2.92Å; F54-V68 PolarHBondContact O-N 3Å; F54-A69 WeakPolarHBondContact CE1-O 3.25Å; F54-E70 HydrophobicContact CD1-CB 3.91Å; F54-E70 HydrophobicContact CD1-CG 4.12Å; F54-E212 HydrophobicContact CE2-CB 4.05Å; F54-E212 VanDerWaalsContact CE2-O 3.27Å; F54-E212 WeakPolarHBondContact CE2-O 3.4Å; F54-E212 HydrophobicContact CZ-CB 4.43Å; F54-P215 HydrophobicContact CE2-CG 4.35Å; F54-P215 HydrophobicContact CZ-CG 4.34Å; F54-P239 HydrophobicContact CE1-CB 4.28Å; F54-P239 HydrophobicContact CZ-CB 4.24Å; F54-F241 HydrophobicContact CB-CE2 3.84Å; F54-F241 HydrophobicContact CB-CZ 3.72Å; F54-F241 HydrophobicContact CD1-CE2 4.4Å; F54-F241 HydrophobicContact CD2-CZ 4.34Å; F54-F241 HydrophobicContact CG-CE2 4.13Å; F54-F241 HydrophobicContact CG-CZ 4.01Å
55	P	98.8	Very high	98.7	Very high	64 Å²	64	54.5 Å²	54.5	42%	0.416	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.3	176.2	30	-32.6	0	0	0	111.3	V64	P55-V64 HydrophobicContact CB-CB 4.46Å; P55-V64 HydrophobicContact CB-CG1 3.77Å; P55-V64 HydrophobicContact CB-CG2 3.84Å
56	T	98.8	Very high	98.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.8	157.4	-169.9	0	0	0	0	109.6	V64 I65 C66 V68 D126 Q213 P215 L216	T56-V64 WeakPolarHBondContact O-CA 3.25Å; T56-I65 HydrophobicContact CG2-CB 4.22Å; T56-I65 HydrophobicContact CG2-CD1 4.44Å; T56-I65 PolarHBondContact O-N 2.9Å; T56-C66 PolarHBondContact N-O 3.45Å; T56-C66 VanDerWaalsContact N-O 3.1Å; T56-V68 HydrophobicContact CG2-CG2 4.19Å; T56-D126 WeakPolarHBondContact CG2-OD1 3.29Å; T56-D126 PolarHBondContact OG1-OD1 2.74Å; T56-Q213 PolarHBondContact OG1-O 2.97Å; T56-P215 HydrophobicContact CG2-CG 4.47Å; T56-L216 HydrophobicContact CG2-CD1 3.75Å; T56-L216 HydrophobicContact CG2-CD2 3.98Å; T56-L216 HydrophobicContact CG2-CG 3.88Å
57	V	98.8	Very high	98.7	Very high	40 Å²	40	54 Å²	54	24%	0.242	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.7	-165.6	172.5	0	0	0	0	109.7	P59 E63 V64 Y396	V57-P59 VanDerWaalsContact O-CD 3.23Å; V57-P59 WeakPolarHBondContact O-CD 3.36Å; V57-E63 CarbonylContact C-O 3.57Å; V57-E63 WeakPolarHBondContact CA-O 3.41Å; V57-V64 HydrophobicContact CG2-CG2 4.3Å; V57-Y396 HydrophobicContact CG1-CE2 4.5Å
58	N	98.9	Very high	98.7	Very high	20 Å²	20	50.8 Å²	50.8	11%	0.107	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	112	167.9	177.1	-15.4	0	0	0	108.8	S60 T61 G62 E63 I65 L125	N58-S60 PolarHBondContact O-N 2.81Å; N58-S60 VanDerWaalsContact O-N 3.11Å; N58-S60 VanDerWaalsContact OD1-CB 3.23Å; N58-S60 WeakPolarHBondContact OD1-CB 3.27Å; N58-S60 PolarHBondContact OD1-N 3.13Å; N58-S60 PolarHBondContact OD1-OG 2.97Å; N58-T61 PolarHBondContact O-N 3.03Å; N58-T61 VanDerWaalsContact O-N 3.14Å; N58-G62 PolarHBondContact O-N 3.35Å; N58-E63 PolarHBondContact N-O 3.45Å; N58-I65 HydrophobicContact CB-CD1 4.01Å; N58-I65 HydrophobicContact CB-CG1 3.79Å; N58-L125 WeakPolarHBondContact ND2-CD1 3.31Å; N58-L125 PolarHBondContact OD1-O 3.02Å
59	P	98.9	Very high	98.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.8	-175.7	23.9	-32.3	0	0	0	114.3	V57 T61 N127 P360 Q361 V362 G395 Y396	V57-P59 VanDerWaalsContact O-CD 3.23Å; V57-P59 WeakPolarHBondContact O-CD 3.36Å; P59-T61 VanDerWaalsContact C-N 3.34Å; P59-N127 WeakPolarHBondContact CG-O 3.36Å; P59-P360 HydrophobicContact CB-CB 4.18Å; P59-P360 HydrophobicContact CB-CG 3.69Å; P59-P360 HydrophobicContact CG-CG 3.89Å; P59-P360 WeakPolarHBondContact O-CB 3.43Å; P59-Q361 WeakPolarHBondContact CB-O 3.3Å; P59-V362 WeakPolarHBondContact CB-O 3.33Å; P59-G395 CarbonylContact O-C 3.59Å; P59-G395 WeakPolarHBondContact O-CA 3.5Å; P59-Y396 HydrophobicContact CB-CD2 3.67Å; P59-Y396 HydrophobicContact CB-CE2 4.17Å; P59-Y396 PolarHBondContact O-N 2.97Å
60	S	98.8	Very high	98.8	Very high	18 Å²	18	48.8 Å²	48.8	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-24.6	179.6	-51.3	0	0	0	0	111.9	N58 P351 G395	N58-S60 PolarHBondContact O-N 2.81Å; N58-S60 VanDerWaalsContact O-N 3.11Å; N58-S60 VanDerWaalsContact OD1-CB 3.23Å; N58-S60 WeakPolarHBondContact OD1-CB 3.27Å; N58-S60 PolarHBondContact OD1-N 3.13Å; N58-S60 PolarHBondContact OD1-OG 2.97Å; S60-P351 WeakPolarHBondContact OG-CD 3.33Å; S60-P351 WeakPolarHBondContact OG-CG 3.46Å; S60-G395 WeakPolarHBondContact O-CA 3.37Å
61	T	98.6	Very high	98.8	Very high	39 Å²	39	46.1 Å²	46.1	24%	0.239	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-18.6	-176.1	66.3	0	0	0	0	113.5	N58 P59 E63 R394	N58-T61 PolarHBondContact O-N 3.03Å; N58-T61 VanDerWaalsContact O-N 3.14Å; P59-T61 VanDerWaalsContact C-N 3.34Å; T61-E63 PolarHBondContact O-N 3.13Å; T61-E63 WeakPolarHBondContact OG1-CB 3.21Å; T61-E63 PolarHBondContact OG1-N 3.36Å; T61-R394 PolarHBondContact O-NE 3.38Å; T61-R394 PolarHBondContact O-NH2 2.85Å
62	G	98.1	Very high	98.8	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	8.9	-171.1	0	0	0	0	0	113.8	N58	N58-G62 PolarHBondContact O-N 3.35Å
63	E	98.7	Very high	98.8	Very high	106 Å²	106	39.8 Å²	39.8	50%	0.495	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	146.7	-178.3	-68.7	172.6	163.5	0	0	111.6	V57 N58 T61 I65 R394	V57-E63 CarbonylContact C-O 3.57Å; V57-E63 WeakPolarHBondContact CA-O 3.41Å; N58-E63 PolarHBondContact N-O 3.45Å; T61-E63 PolarHBondContact O-N 3.13Å; T61-E63 WeakPolarHBondContact OG1-CB 3.21Å; T61-E63 PolarHBondContact OG1-N 3.36Å; E63-I65 PolarHBondContact O-N 3.45Å; E63-R394 VanDerWaalsContact CG-NH2 3.26Å; E63-R394 IonicContact OE1-CZ 2.78Å; E63-R394 IonicContact OE1-NH2 3.77Å; E63-R394 PolarHBondContact OE1-NH2 3.39Å; E63-R394 IonicContact OE2-NH2 3.11Å
64	V	98.9	Very high	98.8	Very high	80 Å²	80	41.4 Å²	41.4	49%	0.485	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.5	172	177.8	0	0	0	0	109.5	P55 T56 V57	P55-V64 HydrophobicContact CB-CB 4.46Å; P55-V64 HydrophobicContact CB-CG1 3.77Å; P55-V64 HydrophobicContact CB-CG2 3.84Å; T56-V64 WeakPolarHBondContact O-CA 3.25Å; V57-V64 HydrophobicContact CG2-CG2 4.3Å
65	I	98.8	Very high	98.8	Very high	45 Å²	45	41.2 Å²	41.2	23%	0.231	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-57.1	173	-60.3	160.9	0	0	0	108.9	V34 T56 N58 E63 L125 D126 L216	V34-I65 HydrophobicContact CG2-CG2 3.86Å; T56-I65 HydrophobicContact CG2-CB 4.22Å; T56-I65 HydrophobicContact CG2-CD1 4.44Å; T56-I65 PolarHBondContact O-N 2.9Å; N58-I65 HydrophobicContact CB-CD1 4.01Å; N58-I65 HydrophobicContact CB-CG1 3.79Å; E63-I65 PolarHBondContact O-N 3.45Å; I65-L125 HydrophobicContact CD1-CD2 4.16Å; I65-L125 HydrophobicContact CD1-CG 3.93Å; I65-L125 HydrophobicContact CG1-CD2 4.25Å; I65-L125 HydrophobicContact CG1-CG 4.27Å; I65-L125 HydrophobicContact CG2-CD2 3.85Å; I65-D126 HydrophobicContact CD1-CB 4.24Å; I65-D126 WeakPolarHBondContact CD1-OD1 3.48Å; I65-L216 HydrophobicContact CD1-CD1 4.37Å; I65-L216 HydrophobicContact CG2-CD1 3.94Å
66	C	98.8	Very high	98.8	Very high	25 Å²	25	38.1 Å²	38.1	17%	0.169	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	174.4	176.3	70.7	0	0	0	0	111.7	T56	T56-C66 PolarHBondContact N-O 3.45Å; T56-C66 VanDerWaalsContact N-O 3.1Å
67	Q	98.9	Very high	98.8	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.374	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.9	167.6	-67.2	-64.1	-37.4	0	0	110.5	N37 T53 F54	N37-Q67 WeakPolarHBondContact CB-O 3.32Å; N37-Q67 PolarHBondContact ND2-O 2.84Å; T53-Q67 HydrophobicContact CG2-CB 4.43Å; T53-Q67 PolarHBondContact OG1-OE1 2.74Å; F54-Q67 PolarHBondContact O-OE1 3.36Å
68	V	98.9	Very high	98.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	177.8	-177.5	0	0	0	0	109.2	N37 T53 F54 T56 E70 P215 L216 L219 P239	N37-V68 HydrophobicContact CB-CG2 4.3Å; N37-V68 CarbonylContact O-C 3.25Å; N37-V68 WeakPolarHBondContact O-CA 3.41Å; T53-V68 CarbonylContact C-O 3.59Å; T53-V68 WeakPolarHBondContact CA-O 3.44Å; T53-V68 WeakPolarHBondContact CB-O 3.49Å; F54-V68 HydrophobicContact CD1-CB 4.47Å; F54-V68 HydrophobicContact CE1-CB 3.99Å; F54-V68 HydrophobicContact CE1-CG1 3.97Å; F54-V68 HydrophobicContact CE2-CB 4.2Å; F54-V68 HydrophobicContact CZ-CB 3.84Å; F54-V68 HydrophobicContact CZ-CG1 3.85Å; F54-V68 PolarHBondContact N-O 2.92Å; F54-V68 PolarHBondContact O-N 3Å; T56-V68 HydrophobicContact CG2-CG2 4.19Å; V68-E70 PolarHBondContact O-N 3.49Å; V68-P215 HydrophobicContact CB-CG 4.47Å; V68-P215 HydrophobicContact CG1-CB 4.35Å; V68-P215 HydrophobicContact CG1-CG 4.29Å; V68-P215 HydrophobicContact CG2-CG 3.84Å; V68-L216 HydrophobicContact CG2-CD2 3.82Å; V68-L219 HydrophobicContact CG1-CD1 4.02Å; V68-P239 HydrophobicContact CG1-CB 3.72Å; V68-P239 HydrophobicContact CG1-CG 3.79Å
69	A	98.8	Very high	98.8	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	129	176.7	0	0	0	0	0	111.5	N37 I39 F54 G71	N37-A69 PolarHBondContact O-N 3.4Å; I39-A69 HydrophobicContact CD1-CB 4.2Å; I39-A69 HydrophobicContact CG1-CB 4.05Å; F54-A69 WeakPolarHBondContact CE1-O 3.25Å; A69-G71 PolarHBondContact O-N 3.07Å
70	E	98.9	Very high	98.8	Very high	34 Å²	34	41.1 Å²	41.1	16%	0.159	22%	0.216	C	C	.	.			trans	-90.7	87.1	-179.7	-169.8	-171.3	150.1	0	0	109.5	A48 K52 F54 V68 F241	A48-E70 WeakPolarHBondContact CB-O 3.33Å; K52-E70 HydrophobicContact CB-CB 4Å; K52-E70 WeakPolarHBondContact CB-OE2 3.47Å; K52-E70 PolarHBondContact O-N 3.43Å; F54-E70 HydrophobicContact CD1-CB 3.91Å; F54-E70 HydrophobicContact CD1-CG 4.12Å; V68-E70 PolarHBondContact O-N 3.49Å; E70-F241 HydrophobicContact CG-CD2 4.1Å; E70-F241 HydrophobicContact CG-CE2 4.04Å
71	G	98.8	Very high	98.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.			trans	-65.4	137.7	174.9	0	0	0	0	0	111.6	A69 P239	A69-G71 PolarHBondContact O-N 3.07Å; G71-P239 VanDerWaalsContact CA-O 3.29Å; G71-P239 WeakPolarHBondContact CA-O 3.41Å; G71-P239 PolarHBondContact N-O 2.71Å
72	D	98.8	Very high	98.8	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.251	23%	0.231	S	C	.	.			trans	-127.4	-169.1	174.9	-150.5	-32.8	0	0	0	109.7	E74 D75 V76 T244	D72-E74 VanDerWaalsContact C-N 3.29Å; D72-E74 PolarHBondContact O-N 2.86Å; D72-D75 PolarHBondContact N-OD2 2.84Å; D72-D75 WeakPolarHBondContact O-CB 3.47Å; D72-D75 PolarHBondContact O-N 2.87Å; D72-V76 PolarHBondContact O-N 2.82Å; D72-T244 WeakPolarHBondContact OD1-CB 3.48Å
73	K	98.9	Very high	98.9	Very high	122 Å²	122	43.9 Å²	43.9	53%	0.53	21%	0.213	S	C	.	.	H	α-helix	trans	-50.8	-44.8	-178.8	-175.9	179.7	176.8	-177.6	0	112.8	D75 V76 D77 A248	K73-D75 PolarHBondContact O-N 3.08Å; K73-V76 WeakPolarHBondContact O-CB 3.32Å; K73-V76 PolarHBondContact O-N 3.49Å; K73-D77 VanDerWaalsContact O-CG 3.23Å; K73-D77 PolarHBondContact O-N 3.42Å; K73-A248 HydrophobicContact CB-CB 3.95Å; K73-A248 HydrophobicContact CG-CB 4Å
74	E	98.8	Very high	98.9	Very high	103 Å²	103	41 Å²	41	48%	0.481	20%	0.198	S	C	.	.	H	α-helix	trans	-64.3	-31.3	-178.9	-61.2	82.8	-179.4	0	0	112.6	V49 D72 K78	V49-E74 HydrophobicContact CB-CB 4.2Å; V49-E74 HydrophobicContact CG1-CB 4.31Å; V49-E74 HydrophobicContact CG2-CB 4.1Å; D72-E74 VanDerWaalsContact C-N 3.29Å; D72-E74 PolarHBondContact O-N 2.86Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.3Å
75	D	98.9	Very high	98.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-76.5	-38.4	175.7	-64.5	-66.9	0	0	0	111.5	I39 V49 D72 K73 D77 K78 A79 V238	I39-D75 HydrophobicContact CD1-CB 3.89Å; V49-D75 WeakPolarHBondContact CG2-OD1 3.14Å; V49-D75 PolarHBondContact N-OD1 3.44Å; V49-D75 PolarHBondContact N-OD2 3.32Å; D72-D75 PolarHBondContact N-OD2 2.84Å; D72-D75 WeakPolarHBondContact O-CB 3.47Å; D72-D75 PolarHBondContact O-N 2.87Å; K73-D75 PolarHBondContact O-N 3.08Å; D75-D77 VanDerWaalsContact C-N 3.35Å; D75-K78 WeakPolarHBondContact O-CB 3.43Å; D75-K78 PolarHBondContact O-N 3.11Å; D75-A79 PolarHBondContact O-N 3.29Å; D75-V238 HydrophobicContact CB-CG1 4.25Å
76	V	98.9	Very high	98.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-45.3	170.9	171.8	0	0	0	0	110.6	D72 K73 K78 A79 V80 V238 A245 A248 I249	D72-V76 PolarHBondContact O-N 2.82Å; K73-V76 WeakPolarHBondContact O-CB 3.32Å; K73-V76 PolarHBondContact O-N 3.49Å; V76-K78 VanDerWaalsContact C-N 3.27Å; V76-K78 PolarHBondContact O-N 3.19Å; V76-A79 WeakPolarHBondContact O-CB 3.2Å; V76-A79 PolarHBondContact O-N 3.22Å; V76-V80 HydrophobicContact CG1-CG2 4.16Å; V76-V80 WeakPolarHBondContact O-CG2 3.44Å; V76-V80 PolarHBondContact O-N 3.06Å; V76-V238 HydrophobicContact CG2-CG1 4.13Å; V76-A245 HydrophobicContact CG2-CB 4.11Å; V76-A248 HydrophobicContact CB-CB 4.1Å; V76-A248 HydrophobicContact CG1-CB 4.15Å; V76-A248 HydrophobicContact CG2-CB 4.09Å; V76-I249 HydrophobicContact CG1-CG1 3.59Å; V76-I249 HydrophobicContact CG2-CG1 4.04Å
77	D	98.9	Very high	98.9	Very high	44 Å²	44	38.4 Å²	38.4	24%	0.235	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-40.1	177.9	-68.5	-8.1	0	0	0	111.3	K73 D75 K81 H252	K73-D77 VanDerWaalsContact O-CG 3.23Å; K73-D77 PolarHBondContact O-N 3.42Å; D75-D77 VanDerWaalsContact C-N 3.35Å; D77-K81 WeakPolarHBondContact O-CB 3.21Å; D77-K81 VanDerWaalsContact O-CG 3.24Å; D77-K81 WeakPolarHBondContact O-CG 3.43Å; D77-K81 PolarHBondContact O-N 3.21Å; D77-H252 IonicContact OD1-CD2 3.54Å; D77-H252 PolarHBondContact OD1-CD2 3.16Å; D77-H252 VanDerWaalsContact OD1-CD2 3.23Å; D77-H252 IonicContact OD1-NE2 3.14Å; D77-H252 PolarHBondContact OD1-NE2 3.45Å
78	K	98.9	Very high	98.9	Very high	80 Å²	80	39.6 Å²	39.6	35%	0.348	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-43.1	174.6	-71.9	167.9	63.2	-169.3	0	111.8	I41 V49 E74 D75 V76 K81 A82	I41-K78 HydrophobicContact CD1-CB 3.98Å; V49-K78 HydrophobicContact CG2-CD 3.92Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.3Å; D75-K78 WeakPolarHBondContact O-CB 3.43Å; D75-K78 PolarHBondContact O-N 3.11Å; V76-K78 VanDerWaalsContact C-N 3.27Å; V76-K78 PolarHBondContact O-N 3.19Å; K78-K81 PolarHBondContact O-N 3.31Å; K78-A82 PolarHBondContact O-N 3.47Å
79	A	98.9	Very high	98.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-42.1	178	0	0	0	0	0	111.8	I41 D75 V76 A82 A83 V207 N236 V238	I41-A79 HydrophobicContact CD1-CB 3.9Å; I41-A79 HydrophobicContact CG1-CB 3.9Å; D75-A79 PolarHBondContact O-N 3.29Å; V76-A79 WeakPolarHBondContact O-CB 3.2Å; V76-A79 PolarHBondContact O-N 3.22Å; A79-A82 WeakPolarHBondContact O-CB 3.22Å; A79-A82 PolarHBondContact O-N 2.91Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.41Å; A79-V207 HydrophobicContact CB-CG1 3.79Å; A79-V207 HydrophobicContact CB-CG2 4.09Å; A79-N236 HydrophobicContact CB-CB 3.89Å; A79-V238 HydrophobicContact CB-CG2 3.76Å
80	V	98.9	Very high	98.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-43.6	176.9	174.4	0	0	0	0	110.8	V76 A82 A83 R84 V178 V207 H252 D254 V255	V76-V80 HydrophobicContact CG1-CG2 4.16Å; V76-V80 WeakPolarHBondContact O-CG2 3.44Å; V76-V80 PolarHBondContact O-N 3.06Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.9Å; V80-A83 PolarHBondContact O-N 2.89Å; V80-R84 WeakPolarHBondContact O-CB 3.25Å; V80-R84 PolarHBondContact O-N 3.42Å; V80-V178 HydrophobicContact CG1-CG1 4.38Å; V80-V207 HydrophobicContact CG2-CG2 3.95Å; V80-H252 VanDerWaalsContact CG1-CE1 3.41Å; V80-H252 WeakPolarHBondContact CG1-CE1 3.37Å; V80-D254 HydrophobicContact CG1-CB 4Å; V80-V255 HydrophobicContact CG1-CG2 4.34Å; V80-V255 HydrophobicContact CG2-CG2 3.7Å
81	K	98.9	Very high	98.8	Very high	146 Å²	146	47.6 Å²	47.6	64%	0.635	25%	0.249	S	C	*	.	H	α-helix	trans	-58.7	-42.9	174.8	-74.5	169.6	-175.1	174.2	0	112.2	D77 K78 A85	D77-K81 WeakPolarHBondContact O-CB 3.21Å; D77-K81 VanDerWaalsContact O-CG 3.24Å; D77-K81 WeakPolarHBondContact O-CG 3.43Å; D77-K81 PolarHBondContact O-N 3.21Å; K78-K81 PolarHBondContact O-N 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.17Å; K81-A85 PolarHBondContact O-N 3.26Å
82	A	98.9	Very high	98.8	Very high	6 Å²	6	52.2 Å²	52.2	5%	0.05	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-46.7	175.5	0	0	0	0	0	112.1	I41 N42 K78 A79 V80 A85 A86	I41-A82 HydrophobicContact CG2-CB 3.58Å; N42-A82 WeakPolarHBondContact OD1-CB 3.39Å; K78-A82 PolarHBondContact O-N 3.47Å; A79-A82 WeakPolarHBondContact O-CB 3.22Å; A79-A82 PolarHBondContact O-N 2.91Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.9Å; A82-A85 PolarHBondContact O-N 3.42Å; A82-A86 PolarHBondContact O-N 2.85Å
83	A	98.9	Very high	98.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-49.1	176.2	0	0	0	0	0	111.7	A79 V80 A85 A86 F87 V178 V205 V207 G233	A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.41Å; V80-A83 PolarHBondContact O-N 2.89Å; A83-A85 VanDerWaalsContact C-N 3.28Å; A83-A85 PolarHBondContact O-N 3.49Å; A83-A86 PolarHBondContact O-N 2.95Å; A83-A86 VanDerWaalsContact O-N 3.12Å; A83-F87 PolarHBondContact O-N 2.73Å; A83-V178 HydrophobicContact CB-CG1 3.99Å; A83-V178 HydrophobicContact CB-CG2 4.13Å; A83-V205 HydrophobicContact CB-CB 4.21Å; A83-V205 HydrophobicContact CB-CG2 3.78Å; A83-V205 WeakPolarHBondContact O-CG2 3.39Å; A83-V207 HydrophobicContact CB-CG2 3.98Å; A83-G233 WeakPolarHBondContact CA-O 3.27Å
84	R	98.9	Very high	98.8	Very high	45 Å²	45	47.7 Å²	47.7	17%	0.17	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-39	178.9	-178.2	61.9	72	-159.7	11.5	112	V80 F87 Q88 V178 D254 D256	V80-R84 WeakPolarHBondContact O-CB 3.25Å; V80-R84 PolarHBondContact O-N 3.42Å; R84-F87 PolarHBondContact O-N 2.89Å; R84-Q88 WeakPolarHBondContact O-CG 3.26Å; R84-Q88 PolarHBondContact O-N 3.3Å; R84-Q88 PolarHBondContact O-NE2 3.38Å; R84-V178 HydrophobicContact CB-CG2 4.28Å; R84-D254 WeakPolarHBondContact CG-OD2 3.35Å; R84-D254 IonicContact CZ-OD1 2.64Å; R84-D254 VanDerWaalsContact CZ-OD1 3.25Å; R84-D254 IonicContact CZ-OD2 3.77Å; R84-D254 VanDerWaalsContact NE-CG 3.27Å; R84-D254 IonicContact NE-OD1 3.23Å; R84-D254 PolarHBondContact NE-OD1 2.88Å; R84-D254 IonicContact NE-OD2 3.25Å; R84-D254 PolarHBondContact NE-OD2 3.28Å; R84-D254 PolarHBondContact NH2-O 3.41Å; R84-D254 VanDerWaalsContact NH2-O 3.08Å; R84-D254 IonicContact NH2-OD1 4Å; R84-D254 PolarHBondContact NH2-OD1 3.33Å; R84-D254 IonicContact NH2-OD2 2.85Å; R84-D256 IonicContact CZ-OD1 3.86Å; R84-D256 IonicContact CZ-OD2 3.71Å; R84-D256 IonicContact NH1-OD1 2.68Å; R84-D256 IonicContact NH1-OD2 3.02Å; R84-D256 PolarHBondContact NH1-OD2 3.47Å; R84-D256 VanDerWaalsContact NH2-CG 3.33Å; R84-D256 IonicContact NH2-OD1 3.36Å; R84-D256 PolarHBondContact NH2-OD1 3.01Å; R84-D256 IonicContact NH2-OD2 2.91Å; R84-D256 PolarHBondContact NH2-OD2 3.28Å; R84-D256 VanDerWaalsContact NH2-OD2 3.11Å
85	A	98.9	Very high	98.8	Very high	61 Å²	61	52.1 Å²	52.1	50%	0.504	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-45.9	174.5	0	0	0	0	0	111.8	K81 A82 A83 F87 Q88	K81-A85 WeakPolarHBondContact O-CB 3.17Å; K81-A85 PolarHBondContact O-N 3.26Å; A82-A85 PolarHBondContact O-N 3.42Å; A83-A85 VanDerWaalsContact C-N 3.28Å; A83-A85 PolarHBondContact O-N 3.49Å; A85-F87 PolarHBondContact O-N 3.48Å; A85-Q88 PolarHBondContact O-N 3.43Å
86	A	98.8	Very high	98.8	Very high	13 Å²	13	53.8 Å²	53.8	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-26.4	176.1	0	0	0	0	0	112.8	A82 A83 S91 V205 P232 V234	A82-A86 PolarHBondContact O-N 2.85Å; A83-A86 PolarHBondContact O-N 2.95Å; A83-A86 VanDerWaalsContact O-N 3.12Å; A86-S91 WeakPolarHBondContact O-CB 3.4Å; A86-S91 PolarHBondContact O-OG 2.88Å; A86-V205 HydrophobicContact CB-CG1 4.14Å; A86-P232 WeakPolarHBondContact CB-O 3.35Å; A86-V234 HydrophobicContact CB-CG2 4.3Å
87	F	98.9	Very high	98.8	Very high	21 Å²	21	59.2 Å²	59.2	9%	0.092	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.4	179.9	-163.6	-109	0	0	0	115.3	A83 R84 A85 R94 P175 V205	A83-F87 PolarHBondContact O-N 2.73Å; R84-F87 PolarHBondContact O-N 2.89Å; A85-F87 PolarHBondContact O-N 3.48Å; F87-R94 HydrophobicContact CD2-CG 4.47Å; F87-R94 WeakPolarHBondContact O-CD 3.44Å; F87-R94 WeakPolarHBondContact O-CG 3.4Å; F87-R94 PolarHBondContact O-NH1 3.11Å; F87-P175 HydrophobicContact CE2-CB 3.74Å; F87-P175 HydrophobicContact CE2-CG 3.83Å; F87-P175 HydrophobicContact CZ-CB 3.93Å; F87-P175 HydrophobicContact CZ-CG 4.07Å; F87-V205 HydrophobicContact CB-CG1 4.1Å; F87-V205 HydrophobicContact CB-CG2 3.84Å; F87-V205 HydrophobicContact CD2-CG1 4.15Å; F87-V205 HydrophobicContact CD2-CG2 4.29Å; F87-V205 HydrophobicContact CG-CG2 4.27Å
88	Q	98.8	Very high	98.8	Very high	105 Å²	105	58.8 Å²	58.8	49%	0.491	31%	0.306	S	S	.	.	S	Bend	trans	-59.9	144.3	-179.1	-70.1	-55.2	-53.7	0	0	112.6	R84 A85 G90 S91 R94	R84-Q88 WeakPolarHBondContact O-CG 3.26Å; R84-Q88 PolarHBondContact O-N 3.3Å; R84-Q88 PolarHBondContact O-NE2 3.38Å; A85-Q88 PolarHBondContact O-N 3.43Å; Q88-G90 PolarHBondContact O-N 2.93Å; Q88-S91 WeakPolarHBondContact O-CB 3.44Å; Q88-S91 PolarHBondContact O-N 2.98Å; Q88-S91 PolarHBondContact O-OG 2.81Å; Q88-R94 VanDerWaalsContact O-CG 3.26Å; Q88-R94 WeakPolarHBondContact O-CG 3.35Å
89	L	98.6	Very high	98.8	Very high	150 Å²	150	57.8 Å²	57.8	79%	0.785	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	130.5	175.4	-173.9	66.9	0	0	0	109.5
90	G	98.3	Very high	98.8	Very high	43 Å²	43	62.2 Å²	62.2	44%	0.443	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-6.8	-175.4	0	0	0	0	0	114.8	Q88 R95	Q88-G90 PolarHBondContact O-N 2.93Å; G90-R95 WeakPolarHBondContact O-CD 3.38Å
91	S	98.8	Very high	98.8	Very high	13 Å²	13	63.8 Å²	63.8	9%	0.091	34%	0.336	C	S	.	.	S	Bend	trans	-63.9	160.6	174.6	81.2	0	0	0	0	112.2	A86 Q88 W93 R94 R95	A86-S91 WeakPolarHBondContact O-CB 3.4Å; A86-S91 PolarHBondContact O-OG 2.88Å; Q88-S91 WeakPolarHBondContact O-CB 3.44Å; Q88-S91 PolarHBondContact O-N 2.98Å; Q88-S91 PolarHBondContact O-OG 2.81Å; S91-W93 VanDerWaalsContact C-N 3.25Å; S91-W93 PolarHBondContact O-N 2.83Å; S91-W93 PolarHBondContact OG-N 2.85Å; S91-R94 PolarHBondContact O-N 2.82Å; S91-R94 WeakPolarHBondContact OG-CG 3.35Å; S91-R94 PolarHBondContact OG-N 2.84Å; S91-R94 VanDerWaalsContact OG-N 3.13Å; S91-R95 WeakPolarHBondContact O-CB 3.22Å; S91-R95 WeakPolarHBondContact O-CG 3.14Å; S91-R95 PolarHBondContact O-N 3.1Å
92	P	98.8	Very high	98.8	Very high	97 Å²	97	57 Å²	57	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-52.8	-42.3	173.8	-27.7	35.9	0	0	0	112.9	M96 P231	P92-M96 WeakPolarHBondContact O-CB 3.49Å; P92-M96 PolarHBondContact O-N 3.09Å; P92-P231 HydrophobicContact CB-CB 4.48Å; P92-P231 HydrophobicContact CB-CG 4.3Å
93	W	98.9	Very high	98.8	Very high	4 Å²	4	65 Å²	65	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-70	-40.8	-179.1	-171.6	-123	0	0	0	112.9	S91 M96 R101 L104 L200 G203 N204 F230 P231 V234	S91-W93 VanDerWaalsContact C-N 3.25Å; S91-W93 PolarHBondContact O-N 2.83Å; S91-W93 PolarHBondContact OG-N 2.85Å; W93-M96 HydrophobicContact CE3-CE 4.05Å; W93-M96 HydrophobicContact CE3-SD 3.81Å; W93-M96 HydrophobicContact CZ3-CE 4.24Å; W93-M96 HydrophobicContact CZ3-SD 3.61Å; W93-M96 PolarHBondContact O-N 2.91Å; W93-R101 HydrophobicContact CE3-CG 4.46Å; W93-R101 HydrophobicContact CH2-CB 4.05Å; W93-R101 HydrophobicContact CH2-CG 3.6Å; W93-R101 HydrophobicContact CZ2-CG 4.16Å; W93-R101 HydrophobicContact CZ3-CB 4.48Å; W93-R101 HydrophobicContact CZ3-CG 3.78Å; W93-L104 HydrophobicContact CZ3-CD1 3.94Å; W93-L200 HydrophobicContact CZ2-CB 4.47Å; W93-L200 HydrophobicContact CZ2-CD2 4.13Å; W93-G203 PolarHBondContact NE1-O 2.78Å; W93-N204 PolarHBondContact NE1-O 3.16Å; W93-F230 AromaticContact CH2-CD1 3.97Å; W93-F230 HydrophobicContact CH2-CD1 3.97Å; W93-F230 AromaticContact CH2-CE1 3.86Å; W93-F230 HydrophobicContact CH2-CE1 3.86Å; W93-F230 AromaticContact CZ3-CD1 3.98Å; W93-F230 HydrophobicContact CZ3-CD1 3.98Å; W93-F230 HydrophobicContact CZ3-CE1 4.22Å; W93-P231 HydrophobicContact CB-CG 4.42Å; W93-P231 HydrophobicContact CE3-CG 4.16Å; W93-V234 HydrophobicContact CB-CG2 3.79Å; W93-V234 HydrophobicContact CD2-CB 4.5Å; W93-V234 HydrophobicContact CD2-CG1 3.92Å; W93-V234 HydrophobicContact CD2-CG2 3.68Å; W93-V234 HydrophobicContact CE3-CG1 4.29Å; W93-V234 HydrophobicContact CE3-CG2 4.06Å; W93-V234 HydrophobicContact CG-CG1 4.42Å; W93-V234 HydrophobicContact CG-CG2 3.55Å; W93-V234 HydrophobicContact CH2-CG1 4.2Å; W93-V234 HydrophobicContact CZ2-CG1 3.81Å; W93-V234 HydrophobicContact CZ3-CG1 4.42Å
94	R	98.8	Very high	98.8	Very high	70 Å²	70	65.6 Å²	65.6	26%	0.264	34%	0.34	S	S	.	.	H	α-helix	trans	-73.7	-26.1	179.4	-69.8	-63.3	-59.4	-80.7	4.4	113.8	F87 Q88 S91	F87-R94 HydrophobicContact CD2-CG 4.47Å; F87-R94 WeakPolarHBondContact O-CD 3.44Å; F87-R94 WeakPolarHBondContact O-CG 3.4Å; F87-R94 PolarHBondContact O-NH1 3.11Å; Q88-R94 VanDerWaalsContact O-CG 3.26Å; Q88-R94 WeakPolarHBondContact O-CG 3.35Å; S91-R94 PolarHBondContact O-N 2.82Å; S91-R94 WeakPolarHBondContact OG-CG 3.35Å; S91-R94 PolarHBondContact OG-N 2.84Å; S91-R94 VanDerWaalsContact OG-N 3.13Å
95	R	98.8	Very high	98.8	Very high	195 Å²	195	63.5 Å²	63.5	74%	0.736	33%	0.332	S	S	*	.	H	α-helix	trans	-91.5	-12.2	176.6	-67.8	-177.5	66.7	-174.4	-0.2	113.5	G90 S91 D97	G90-R95 WeakPolarHBondContact O-CD 3.38Å; S91-R95 WeakPolarHBondContact O-CB 3.22Å; S91-R95 WeakPolarHBondContact O-CG 3.14Å; S91-R95 PolarHBondContact O-N 3.1Å; R95-D97 PolarHBondContact O-N 3.2Å
96	M	98.8	Very high	98.8	Very high	37 Å²	37	63 Å²	63	18%	0.182	32%	0.32	C	S	.	.	S	Bend	trans	-63.2	134.5	-179.9	-175.1	174.6	-68.9	0	0	110.8	P92 W93 A98 H100 R101 L104 P231	P92-M96 WeakPolarHBondContact O-CB 3.49Å; P92-M96 PolarHBondContact O-N 3.09Å; W93-M96 HydrophobicContact CE3-CE 4.05Å; W93-M96 HydrophobicContact CE3-SD 3.81Å; W93-M96 HydrophobicContact CZ3-CE 4.24Å; W93-M96 HydrophobicContact CZ3-SD 3.61Å; W93-M96 PolarHBondContact O-N 2.91Å; M96-A98 PolarHBondContact O-N 3.39Å; M96-H100 HydrophobicContact CG-CB 3.81Å; M96-H100 HydrophobicContact SD-CB 4.28Å; M96-R101 HydrophobicContact CG-CG 4.22Å; M96-R101 HydrophobicContact SD-CG 3.87Å; M96-L104 HydrophobicContact CE-CD1 3.75Å; M96-L104 HydrophobicContact SD-CD1 3.57Å; M96-L104 VanDerWaalsContact SD-CD1 3.57Å; M96-P231 HydrophobicContact CE-CG 4.12Å
97	D	98.9	Very high	98.8	Very high	114 Å²	114	67.6 Å²	67.6	61%	0.61	34%	0.335	S	S	*	.			trans	-55.7	139.3	173.1	-65	-31.7	0	0	0	110.6	R95 S99 H100 R101	R95-D97 PolarHBondContact O-N 3.2Å; D97-S99 PolarHBondContact O-N 2.9Å; D97-H100 HydrophobicContact CB-CB 4.21Å; D97-H100 WeakPolarHBondContact O-CB 3.32Å; D97-H100 PolarHBondContact O-N 2.98Å; D97-R101 PolarHBondContact O-N 3.34Å
98	A	98.8	Very high	98.8	Very high	34 Å²	34	66.6 Å²	66.6	28%	0.281	33%	0.331	S	S	.	.	H	α-helix	trans	-55	-41.4	178.7	0	0	0	0	0	112.3	M96 H100 R101 G102 A153 D154	M96-A98 PolarHBondContact O-N 3.39Å; A98-H100 VanDerWaalsContact C-N 3.31Å; A98-H100 PolarHBondContact O-N 3.14Å; A98-R101 WeakPolarHBondContact O-CB 3.36Å; A98-R101 PolarHBondContact O-N 3.45Å; A98-G102 PolarHBondContact O-N 3.41Å; A98-A153 WeakPolarHBondContact CB-O 3.3Å; A98-A153 VanDerWaalsContact O-CB 3.26Å; A98-A153 WeakPolarHBondContact O-CB 3.46Å; A98-D154 HydrophobicContact CB-CB 3.84Å
99	S	98.9	Very high	98.8	Very high	60 Å²	60	61.6 Å²	61.6	42%	0.42	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-34.3	175.7	58.7	0	0	0	0	112.7	D97 G102 R103 D154	D97-S99 PolarHBondContact O-N 2.9Å; S99-G102 CarbonylContact O-C 3.59Å; S99-G102 WeakPolarHBondContact O-CA 3.38Å; S99-G102 PolarHBondContact O-N 2.79Å; S99-G102 VanDerWaalsContact O-N 3.13Å; S99-R103 PolarHBondContact O-N 2.75Å; S99-D154 WeakPolarHBondContact CB-OD2 3.03Å
100	H	98.9	Very high	98.8	Very high	92 Å²	92	57.8 Å²	57.8	43%	0.426	29%	0.288	S	S	.	.	H	α-helix	trans	-72	-31.6	179.2	-158.1	94	0	0	0	112.2	M96 D97 A98 G102 R103 L104	M96-H100 HydrophobicContact CG-CB 3.81Å; M96-H100 HydrophobicContact SD-CB 4.28Å; D97-H100 HydrophobicContact CB-CB 4.21Å; D97-H100 WeakPolarHBondContact O-CB 3.32Å; D97-H100 PolarHBondContact O-N 2.98Å; A98-H100 VanDerWaalsContact C-N 3.31Å; A98-H100 PolarHBondContact O-N 3.14Å; H100-G102 VanDerWaalsContact C-N 3.25Å; H100-G102 PolarHBondContact O-N 3.46Å; H100-R103 WeakPolarHBondContact O-CA 3.42Å; H100-R103 WeakPolarHBondContact O-CB 3.27Å; H100-R103 PolarHBondContact O-N 2.73Å; H100-L104 PolarHBondContact O-N 3.21Å
101	R	98.9	Very high	98.9	Very high	34 Å²	34	55.9 Å²	55.9	13%	0.128	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-40.4	167.3	-60.1	-165.6	-61.9	-85.6	-1.6	111.3	W93 M96 D97 A98 R103 L104 L105 A153 L200 A201	W93-R101 HydrophobicContact CE3-CG 4.46Å; W93-R101 HydrophobicContact CH2-CB 4.05Å; W93-R101 HydrophobicContact CH2-CG 3.6Å; W93-R101 HydrophobicContact CZ2-CG 4.16Å; W93-R101 HydrophobicContact CZ3-CB 4.48Å; W93-R101 HydrophobicContact CZ3-CG 3.78Å; M96-R101 HydrophobicContact CG-CG 4.22Å; M96-R101 HydrophobicContact SD-CG 3.87Å; D97-R101 PolarHBondContact O-N 3.34Å; A98-R101 WeakPolarHBondContact O-CB 3.36Å; A98-R101 PolarHBondContact O-N 3.45Å; R101-R103 VanDerWaalsContact C-N 3.33Å; R101-R103 PolarHBondContact O-N 3.15Å; R101-L104 PolarHBondContact O-N 3.02Å; R101-L105 PolarHBondContact O-N 3.23Å; R101-A153 HydrophobicContact CB-CB 4.28Å; R101-A153 PolarHBondContact NH2-O 2.81Å; R101-A153 VanDerWaalsContact NH2-O 3.15Å; R101-L200 WeakPolarHBondContact CD-O 3.4Å; R101-A201 PolarHBondContact NE-O 3.32Å; R101-A201 VanDerWaalsContact NE-O 3.08Å; R101-A201 PolarHBondContact NH2-O 2.94Å
102	G	98.8	Very high	98.9	Very high	4 Å²	4	55.3 Å²	55.3	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-37.6	171.6	0	0	0	0	0	113.1	A98 S99 H100 N106 A150	A98-G102 PolarHBondContact O-N 3.41Å; S99-G102 CarbonylContact O-C 3.59Å; S99-G102 WeakPolarHBondContact O-CA 3.38Å; S99-G102 PolarHBondContact O-N 2.79Å; S99-G102 VanDerWaalsContact O-N 3.13Å; H100-G102 VanDerWaalsContact C-N 3.25Å; H100-G102 PolarHBondContact O-N 3.46Å; G102-N106 PolarHBondContact O-N 2.8Å; G102-N106 PolarHBondContact O-ND2 2.87Å; G102-A150 VanDerWaalsContact CA-O 3.31Å; G102-A150 WeakPolarHBondContact CA-O 3.4Å; G102-A150 WeakPolarHBondContact O-CB 3.31Å
103	R	98.9	Very high	98.9	Very high	174 Å²	174	54.5 Å²	54.5	66%	0.657	25%	0.251	S	S	*	.	H	α-helix	trans	-64.8	-41.6	173.9	-64.3	-66.4	-66.8	173.2	-1.6	112.3	S99 H100 R101 N106 R107	S99-R103 PolarHBondContact O-N 2.75Å; H100-R103 WeakPolarHBondContact O-CA 3.42Å; H100-R103 WeakPolarHBondContact O-CB 3.27Å; H100-R103 PolarHBondContact O-N 2.73Å; R101-R103 VanDerWaalsContact C-N 3.33Å; R101-R103 PolarHBondContact O-N 3.15Å; R103-N106 PolarHBondContact O-N 2.95Å; R103-R107 WeakPolarHBondContact O-CB 3.37Å; R103-R107 PolarHBondContact O-N 3.27Å
104	L	98.9	Very high	98.9	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-40.5	177.8	-66.6	176.2	0	0	0	112.5	W93 M96 H100 R101 R107 L108 A228 F230	W93-L104 HydrophobicContact CZ3-CD1 3.94Å; M96-L104 HydrophobicContact CE-CD1 3.75Å; M96-L104 HydrophobicContact SD-CD1 3.57Å; M96-L104 VanDerWaalsContact SD-CD1 3.57Å; H100-L104 PolarHBondContact O-N 3.21Å; R101-L104 PolarHBondContact O-N 3.02Å; L104-R107 PolarHBondContact O-N 3.22Å; L104-L108 PolarHBondContact O-N 2.88Å; L104-A228 WeakPolarHBondContact CD2-O 3.38Å; L104-F230 HydrophobicContact CB-CD1 4.4Å; L104-F230 HydrophobicContact CB-CD2 4.31Å; L104-F230 HydrophobicContact CB-CE1 3.86Å; L104-F230 HydrophobicContact CB-CE2 3.77Å; L104-F230 HydrophobicContact CB-CZ 3.53Å; L104-F230 HydrophobicContact CD1-CD1 4.16Å; L104-F230 HydrophobicContact CD1-CE1 4.3Å; L104-F230 HydrophobicContact CD1-CG 4.42Å
105	L	98.9	Very high	98.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-41.9	174.2	-80.5	170.1	0	0	0	112.4	R101 L108 A109 L146 A150 L200 A201 F230	R101-L105 PolarHBondContact O-N 3.23Å; L105-L108 PolarHBondContact O-N 3.45Å; L105-A109 PolarHBondContact O-N 3.32Å; L105-L146 HydrophobicContact CD2-CD2 4.25Å; L105-A150 HydrophobicContact CB-CB 3.65Å; L105-L200 HydrophobicContact CD1-CB 4.32Å; L105-L200 HydrophobicContact CD2-CB 4.08Å; 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 4.34Å; L105-F230 HydrophobicContact CG-CZ 4.37Å
106	N	98.9	Very high	98.9	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-43.6	172.6	-80.1	-55	0	0	0	111.5	G102 R103 L108 A109 D110 A150	G102-N106 PolarHBondContact O-N 2.8Å; G102-N106 PolarHBondContact O-ND2 2.87Å; R103-N106 PolarHBondContact O-N 2.95Å; N106-L108 VanDerWaalsContact C-N 3.31Å; N106-L108 PolarHBondContact O-N 3Å; N106-A109 WeakPolarHBondContact O-CB 3.21Å; N106-A109 PolarHBondContact O-N 3.37Å; N106-A109 VanDerWaalsContact O-N 3.12Å; N106-D110 VanDerWaalsContact O-CG 3.23Å; N106-D110 PolarHBondContact O-N 3.11Å; N106-A150 WeakPolarHBondContact ND2-CB 3.19Å
107	R	98.9	Very high	98.9	Very high	110 Å²	110	50.3 Å²	50.3	42%	0.415	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-41.3	176.8	177.4	57	-179.6	169.7	1.2	111.8	R103 L104 A109 D110 L111 A228	R103-R107 WeakPolarHBondContact O-CB 3.37Å; R103-R107 PolarHBondContact O-N 3.27Å; L104-R107 PolarHBondContact O-N 3.22Å; R107-A109 VanDerWaalsContact C-N 3.34Å; R107-D110 PolarHBondContact O-N 3.18Å; R107-L111 HydrophobicContact CG-CD1 4.45Å; R107-L111 WeakPolarHBondContact O-CG 3.47Å; R107-L111 PolarHBondContact O-N 2.94Å; R107-A228 HydrophobicContact CB-CB 4.4Å; R107-A228 HydrophobicContact CG-CB 3.9Å
108	L	98.9	Very high	98.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-44.5	174.2	178.4	61.2	0	0	0	111.4	L104 L105 N106 D110 L111 I112 L146 V221 L224 I225 A228 F230	L104-L108 PolarHBondContact O-N 2.88Å; L105-L108 PolarHBondContact O-N 3.45Å; N106-L108 VanDerWaalsContact C-N 3.31Å; N106-L108 PolarHBondContact O-N 3Å; L108-D110 VanDerWaalsContact C-N 3.33Å; L108-D110 PolarHBondContact O-N 3.3Å; L108-L111 PolarHBondContact O-N 3.39Å; L108-I112 HydrophobicContact CD1-CD1 4.12Å; L108-I112 HydrophobicContact CD1-CG1 4.4Å; L108-I112 HydrophobicContact CG-CD1 3.96Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 2.72Å; L108-L146 HydrophobicContact CD2-CD1 4.33Å; L108-L146 HydrophobicContact CG-CD1 4.31Å; L108-V221 HydrophobicContact CD1-CG1 4.39Å; L108-L224 HydrophobicContact CD1-CB 3.87Å; L108-I225 HydrophobicContact CD1-CG1 3.79Å; L108-I225 HydrophobicContact CD2-CG1 3.88Å; L108-I225 HydrophobicContact CG-CG1 4.5Å; L108-A228 HydrophobicContact CB-CB 4.3Å; L108-F230 HydrophobicContact CB-CE2 4.19Å; L108-F230 HydrophobicContact CD2-CE2 4.39Å
109	A	98.9	Very high	98.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.1	0	0	0	0	0	111.7	L105 N106 R107 L111 I112 E113 L143 L146 R147	L105-A109 PolarHBondContact O-N 3.32Å; N106-A109 WeakPolarHBondContact O-CB 3.21Å; N106-A109 PolarHBondContact O-N 3.37Å; N106-A109 VanDerWaalsContact O-N 3.12Å; R107-A109 VanDerWaalsContact C-N 3.34Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.9Å; A109-I112 PolarHBondContact O-N 3.13Å; A109-E113 WeakPolarHBondContact O-CB 3.15Å; A109-E113 PolarHBondContact O-N 2.78Å; A109-L143 HydrophobicContact CB-CD2 4.17Å; A109-L143 WeakPolarHBondContact O-CD2 3.43Å; A109-L146 HydrophobicContact CB-CB 4.08Å; A109-L146 HydrophobicContact CB-CD1 4.46Å; A109-R147 HydrophobicContact CB-CG 3.76Å
110	D	98.9	Very high	98.9	Very high	70 Å²	70	42.3 Å²	42.3	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-36.8	177.6	-61.3	-21.4	0	0	0	112.3	N106 R107 L108 E113 R114 R147	N106-D110 VanDerWaalsContact O-CG 3.23Å; N106-D110 PolarHBondContact O-N 3.11Å; R107-D110 PolarHBondContact O-N 3.18Å; L108-D110 VanDerWaalsContact C-N 3.33Å; L108-D110 PolarHBondContact O-N 3.3Å; D110-E113 PolarHBondContact O-N 2.89Å; D110-R114 PolarHBondContact O-N 3.36Å; D110-R147 IonicContact OD1-CZ 3.19Å; D110-R147 IonicContact OD1-NE 2.89Å; D110-R147 IonicContact OD1-NH2 2.81Å; D110-R147 PolarHBondContact OD1-NH2 3.49Å
111	L	98.9	Very high	98.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-70.6	-40.7	175.5	-69.2	175.6	0	0	0	112.4	R107 L108 A109 E113 R114 D115 L224 E227 A228	R107-L111 HydrophobicContact CG-CD1 4.45Å; R107-L111 WeakPolarHBondContact O-CG 3.47Å; R107-L111 PolarHBondContact O-N 2.94Å; L108-L111 PolarHBondContact O-N 3.39Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.9Å; L111-E113 VanDerWaalsContact C-N 3.27Å; L111-E113 PolarHBondContact O-N 3.49Å; L111-R114 WeakPolarHBondContact O-CB 3.46Å; L111-R114 PolarHBondContact O-N 3.35Å; L111-D115 PolarHBondContact O-N 3.3Å; L111-D115 VanDerWaalsContact O-N 3.07Å; L111-L224 HydrophobicContact CB-CB 4.29Å; L111-L224 HydrophobicContact CB-CD1 4.37Å; L111-L224 HydrophobicContact CB-CD2 4.41Å; L111-L224 HydrophobicContact CD1-CB 4.48Å; L111-L224 WeakPolarHBondContact CD1-O 3.36Å; L111-E227 HydrophobicContact CD1-CB 3.88Å; L111-E227 HydrophobicContact CD1-CG 3.88Å; L111-E227 HydrophobicContact CD2-CG 4.32Å; L111-E227 VanDerWaalsContact CD2-OE1 3.27Å; L111-E227 WeakPolarHBondContact CD2-OE1 3.41Å; L111-A228 HydrophobicContact CD1-CB 3.94Å
112	I	98.9	Very high	98.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-38	173.1	-70.9	167.9	0	0	0	110.4	L108 A109 D115 R116 L119 L139 V142 L143 L146 V221 L224	L108-I112 HydrophobicContact CD1-CD1 4.12Å; L108-I112 HydrophobicContact CD1-CG1 4.4Å; L108-I112 HydrophobicContact CG-CD1 3.96Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 2.72Å; A109-I112 PolarHBondContact O-N 3.13Å; I112-D115 CarbonylContact O-C 3.54Å; I112-D115 PolarHBondContact O-N 2.86Å; I112-R116 WeakPolarHBondContact O-CA 3.36Å; I112-R116 PolarHBondContact O-N 3.11Å; I112-L119 HydrophobicContact CB-CD1 4.33Å; I112-L119 HydrophobicContact CG1-CD1 4.3Å; I112-L119 HydrophobicContact CG2-CD1 3.88Å; I112-L139 HydrophobicContact CG2-CD1 3.66Å; I112-V142 HydrophobicContact CD1-CG1 4.2Å; I112-V142 HydrophobicContact CG2-CG1 4.06Å; I112-L143 HydrophobicContact CB-CD2 4.05Å; I112-L143 HydrophobicContact CG2-CD2 3.83Å; I112-L146 HydrophobicContact CD1-CD1 3.48Å; I112-L146 VanDerWaalsContact CD1-CD1 3.48Å; I112-V221 HydrophobicContact CD1-CG1 4.28Å; I112-V221 HydrophobicContact CD1-CG2 4.38Å; I112-V221 HydrophobicContact CG1-CG2 4.46Å; I112-L224 HydrophobicContact CG1-CD1 3.77Å
113	E	98.8	Very high	98.9	Very high	80 Å²	80	36.3 Å²	36.3	37%	0.374	16%	0.159	S	C	.	.	H	α-helix	trans	-68.2	-39.8	176.8	-172	163.6	-132.4	0	0	111.9	A109 D110 L111 D115 R116 L143 R147	A109-E113 WeakPolarHBondContact O-CB 3.15Å; A109-E113 PolarHBondContact O-N 2.78Å; D110-E113 PolarHBondContact O-N 2.89Å; L111-E113 VanDerWaalsContact C-N 3.27Å; L111-E113 PolarHBondContact O-N 3.49Å; E113-D115 VanDerWaalsContact C-N 3.28Å; E113-D115 PolarHBondContact O-N 2.85Å; E113-R116 WeakPolarHBondContact O-CB 3.34Å; E113-R116 PolarHBondContact O-N 3.38Å; E113-L143 HydrophobicContact CB-CD1 3.89Å; E113-L143 HydrophobicContact CB-CD2 3.79Å; E113-L143 HydrophobicContact CG-CD1 3.94Å; E113-R147 IonicContact OE1-NH1 3.55Å; E113-R147 IonicContact OE2-CZ 3.84Å; E113-R147 IonicContact OE2-NH1 2.89Å; E113-R147 PolarHBondContact OE2-NH1 2.94Å; E113-R147 VanDerWaalsContact OE2-NH1 3.14Å; E113-R147 IonicContact OE2-NH2 2.69Å; E113-R147 PolarHBondContact OE2-NH2 2.98Å
114	R	98.8	Very high	98.9	Very high	127 Å²	127	28 Å²	28	48%	0.479	13%	0.127	S	C	.	.	H	α-helix	trans	-54.4	-47	171.1	-179.1	-164.3	70.4	-162.1	-7.1	111	D110 L111 R116 E227	D110-R114 PolarHBondContact O-N 3.36Å; L111-R114 WeakPolarHBondContact O-CB 3.46Å; L111-R114 PolarHBondContact O-N 3.35Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-E227 IonicContact CZ-OE1 3.69Å; R114-E227 IonicContact CZ-OE2 3.54Å; R114-E227 IonicContact NH1-OE1 2.86Å; R114-E227 PolarHBondContact NH1-OE1 2.91Å; R114-E227 IonicContact NH1-OE2 3.69Å; R114-E227 PolarHBondContact NH1-OE2 2.93Å; R114-E227 IonicContact NH2-OE1 3.72Å; R114-E227 IonicContact NH2-OE2 3.72Å; R114-E227 PolarHBondContact NH2-OE2 2.88Å
115	D	98.9	Very high	98.9	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.123	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	14.9	-174.8	-58.9	-21.7	0	0	0	113	L111 I112 E113 T117 Y118 L119 Y220 L224	L111-D115 PolarHBondContact O-N 3.3Å; L111-D115 VanDerWaalsContact O-N 3.07Å; I112-D115 CarbonylContact O-C 3.54Å; I112-D115 PolarHBondContact O-N 2.86Å; E113-D115 VanDerWaalsContact C-N 3.28Å; E113-D115 PolarHBondContact O-N 2.85Å; D115-T117 VanDerWaalsContact C-N 3.3Å; D115-T117 PolarHBondContact O-N 3.09Å; D115-Y118 WeakPolarHBondContact O-CB 3.45Å; D115-Y118 PolarHBondContact O-N 2.83Å; D115-L119 HydrophobicContact CB-CD1 4.45Å; D115-L119 PolarHBondContact O-N 3.34Å; D115-Y220 HydrophobicContact CB-CE1 4.02Å; D115-Y220 PolarHBondContact OD2-OH 2.83Å; D115-L224 WeakPolarHBondContact OD2-CD2 3.28Å
116	R	98.9	Very high	98.9	Very high	17 Å²	17	28.1 Å²	28.1	6%	0.064	13%	0.128	C	C	.	.	H	α-helix	trans	-53.6	-42.8	-172.2	-174.8	178.6	-179.9	168.1	0.6	113.2	I112 E113 R114 A120 Y135 L139	I112-R116 WeakPolarHBondContact O-CA 3.36Å; I112-R116 PolarHBondContact O-N 3.11Å; E113-R116 WeakPolarHBondContact O-CB 3.34Å; E113-R116 PolarHBondContact O-N 3.38Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R116-A120 WeakPolarHBondContact O-CB 3.47Å; R116-A120 PolarHBondContact O-N 3.31Å; R116-Y135 HydrophobicContact CB-CE2 4.26Å; R116-Y135 HydrophobicContact CG-CD2 3.89Å; R116-Y135 HydrophobicContact CG-CE2 3.63Å; R116-Y135 PolarHBondContact NE-O 3.42Å; R116-Y135 VanDerWaalsContact NE-O 3.09Å; R116-Y135 PolarHBondContact NH2-O 3.09Å; R116-L139 HydrophobicContact CG-CB 3.86Å; R116-L139 HydrophobicContact CG-CD1 4.4Å; R116-L139 HydrophobicContact CG-CG 3.98Å
117	T	98.8	Very high	98.9	Very high	50 Å²	50	25.8 Å²	25.8	31%	0.307	12%	0.115	S	C	.	.	H	α-helix	trans	-64.9	-43.2	179.3	-58.5	0	0	0	0	111.8	P26 D115 A121	P26-T117 HydrophobicContact CB-CG2 4.18Å; D115-T117 VanDerWaalsContact C-N 3.3Å; D115-T117 PolarHBondContact O-N 3.09Å; T117-A121 WeakPolarHBondContact O-CB 3.35Å; T117-A121 PolarHBondContact O-N 3.49Å; T117-A121 VanDerWaalsContact O-N 3.16Å
118	Y	98.9	Very high	98.9	Very high	41 Å²	41	20.6 Å²	20.6	16%	0.161	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-49.9	178	167.6	-99.7	0	0	0	110.9	P32 E33 F35 D115 A120 A121 L122 Y220	P32-Y118 HydrophobicContact CB-CD2 4.12Å; P32-Y118 HydrophobicContact CB-CE2 3.94Å; E33-Y118 VanDerWaalsContact O-CE2 3.27Å; E33-Y118 WeakPolarHBondContact O-CE2 3.29Å; E33-Y118 PolarHBondContact O-OH 2.81Å; F35-Y118 HydrophobicContact CD2-CE1 4.47Å; F35-Y118 HydrophobicContact CD2-CE2 4.15Å; F35-Y118 AromaticContact CD2-CZ 3.73Å; F35-Y118 VanDerWaalsContact CD2-OH 3.23Å; F35-Y118 WeakPolarHBondContact CD2-OH 3.45Å; F35-Y118 AromaticContact CE2-CE2 3.7Å; F35-Y118 HydrophobicContact CE2-CE2 3.7Å; F35-Y118 AromaticContact CE2-CZ 3.76Å; D115-Y118 WeakPolarHBondContact O-CB 3.45Å; D115-Y118 PolarHBondContact O-N 2.83Å; Y118-A120 PolarHBondContact O-N 3.07Å; Y118-A121 PolarHBondContact O-N 2.99Å; Y118-L122 HydrophobicContact CE1-CD2 4.05Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 PolarHBondContact O-N 3.38Å; Y118-Y220 HydrophobicContact CD1-CD1 4.11Å; Y118-Y220 HydrophobicContact CD1-CD2 4.39Å; Y118-Y220 AromaticContact CD1-CE1 3.75Å; Y118-Y220 HydrophobicContact CD1-CE1 3.75Å; Y118-Y220 HydrophobicContact CD1-CE2 4.06Å; Y118-Y220 HydrophobicContact CD1-CG 4.39Å; Y118-Y220 AromaticContact CD1-CZ 3.7Å; Y118-Y220 AromaticContact CE1-CD1 3.79Å; Y118-Y220 HydrophobicContact CE1-CD1 3.79Å; Y118-Y220 AromaticContact CE1-CD2 3.44Å; Y118-Y220 HydrophobicContact CE1-CD2 3.44Å; Y118-Y220 VanDerWaalsContact CE1-CD2 3.44Å; Y118-Y220 AromaticContact CE1-CE1 3.74Å; Y118-Y220 HydrophobicContact CE1-CE1 3.74Å; Y118-Y220 AromaticContact CE1-CE2 3.4Å; Y118-Y220 HydrophobicContact CE1-CE2 3.4Å; Y118-Y220 VanDerWaalsContact CE1-CE2 3.4Å; Y118-Y220 AromaticContact CE1-CG 3.6Å; Y118-Y220 HydrophobicContact CE1-CG 3.6Å; Y118-Y220 AromaticContact CE1-CZ 3.54Å
119	L	98.9	Very high	98.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-43.1	179.3	-81.1	171.9	0	0	0	112	I112 D115 A121 L122 E123 L139 L189 T217 Y220 V221 L224	I112-L119 HydrophobicContact CB-CD1 4.33Å; I112-L119 HydrophobicContact CG1-CD1 4.3Å; I112-L119 HydrophobicContact CG2-CD1 3.88Å; D115-L119 HydrophobicContact CB-CD1 4.45Å; D115-L119 PolarHBondContact O-N 3.34Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 3.48Å; L119-L122 PolarHBondContact O-N 2.86Å; L119-E123 VanDerWaalsContact O-CB 3.28Å; L119-E123 WeakPolarHBondContact O-CB 3.23Å; L119-E123 PolarHBondContact O-N 2.83Å; L119-L139 HydrophobicContact CB-CD1 4.08Å; L119-L139 HydrophobicContact CD1-CD1 4.27Å; L119-L189 HydrophobicContact CB-CD1 4.14Å; L119-L189 HydrophobicContact CD2-CD1 4.29Å; L119-L189 HydrophobicContact CD2-CD2 4.26Å; L119-T217 HydrophobicContact CD2-CG2 4.4Å; L119-Y220 HydrophobicContact CD2-CD1 3.65Å; L119-Y220 HydrophobicContact CD2-CE1 4.42Å; L119-Y220 HydrophobicContact CD2-CG 4.3Å; L119-Y220 HydrophobicContact CG-CD1 4.1Å; L119-Y220 HydrophobicContact CG-CE1 4.4Å; L119-V221 HydrophobicContact CD2-CG2 4.37Å; L119-L224 HydrophobicContact CD1-CD1 4.27Å
120	A	98.9	Very high	98.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-37.6	177.3	0	0	0	0	0	112.6	R116 Y118 T124 Y131 S134 Y135 L139	R116-A120 WeakPolarHBondContact O-CB 3.47Å; R116-A120 PolarHBondContact O-N 3.31Å; Y118-A120 PolarHBondContact O-N 3.07Å; A120-T124 PolarHBondContact O-N 3.07Å; A120-T124 VanDerWaalsContact O-N 3.08Å; A120-T124 PolarHBondContact O-OG1 2.93Å; A120-Y131 HydrophobicContact CB-CD2 4.1Å; A120-Y131 HydrophobicContact CB-CE2 3.67Å; A120-S134 WeakPolarHBondContact O-CB 3.46Å; A120-Y135 HydrophobicContact CB-CD2 4.1Å; A120-L139 HydrophobicContact CB-CD2 4.17Å; A120-L139 HydrophobicContact CB-CG 4.46Å
121	A	98.9	Very high	98.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-69.4	-42.5	175.9	0	0	0	0	0	112.1	N29 P32 T117 Y118 L119 T124 L125 Y131 F352	N29-A121 WeakPolarHBondContact O-CB 3.45Å; P32-A121 HydrophobicContact CB-CB 4.41Å; P32-A121 HydrophobicContact CG-CB 4.15Å; T117-A121 WeakPolarHBondContact O-CB 3.35Å; T117-A121 PolarHBondContact O-N 3.49Å; T117-A121 VanDerWaalsContact O-N 3.16Å; Y118-A121 PolarHBondContact O-N 2.99Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 3.48Å; A121-T124 PolarHBondContact O-N 3.45Å; A121-L125 WeakPolarHBondContact O-CB 3.33Å; A121-L125 PolarHBondContact O-N 2.94Å; A121-Y131 HydrophobicContact CB-CD2 4.34Å; A121-Y131 HydrophobicContact CB-CE2 4.18Å; A121-F352 HydrophobicContact CB-CE1 4.09Å; A121-F352 WeakPolarHBondContact O-CZ 3.26Å
122	L	98.9	Very high	98.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-67	-38.2	177.3	-175.3	63.8	0	0	0	111.5	P32 V34 Y118 L119 T124 L125 D126 L216 T217	P32-L122 HydrophobicContact CG-CB 4.21Å; P32-L122 HydrophobicContact CG-CD1 4.24Å; V34-L122 HydrophobicContact CG2-CD1 4.24Å; Y118-L122 HydrophobicContact CE1-CD2 4.05Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 PolarHBondContact O-N 3.38Å; L119-L122 PolarHBondContact O-N 2.86Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 3.35Å; L122-L125 HydrophobicContact CD1-CD2 4.33Å; L122-L125 PolarHBondContact O-N 3.44Å; L122-D126 WeakPolarHBondContact O-CB 3.21Å; L122-D126 PolarHBondContact O-N 2.92Å; L122-L216 HydrophobicContact CD1-CB 4.13Å; L122-L216 HydrophobicContact CD1-CD1 4.05Å; L122-L216 HydrophobicContact CD2-CB 4.08Å; L122-L216 HydrophobicContact CG-CB 4.17Å; L122-T217 HydrophobicContact CB-CG2 3.83Å; L122-T217 HydrophobicContact CD2-CG2 3.86Å; L122-T217 HydrophobicContact CG-CG2 3.66Å
123	E	98.9	Very high	98.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-47.2	173.2	-166.1	83.2	152.9	0	0	110	L119 L125 N127 K129 P188 L189 T217	L119-E123 VanDerWaalsContact O-CB 3.28Å; L119-E123 WeakPolarHBondContact O-CB 3.23Å; L119-E123 PolarHBondContact O-N 2.83Å; E123-L125 PolarHBondContact O-N 3.47Å; E123-N127 WeakPolarHBondContact O-CB 3.41Å; E123-N127 PolarHBondContact O-N 3.33Å; E123-K129 HydrophobicContact CG-CD 4.24Å; E123-P188 WeakPolarHBondContact OE1-CB 3.47Å; E123-P188 WeakPolarHBondContact OE1-CD 3.41Å; E123-L189 HydrophobicContact CB-CD1 4.34Å; E123-L189 HydrophobicContact CG-CD1 4.42Å; E123-L189 PolarHBondContact OE1-N 2.81Å; E123-L189 WeakPolarHBondContact OE2-CG 3.46Å; E123-T217 HydrophobicContact CB-CG2 4.03Å; E123-T217 WeakPolarHBondContact OE2-CB 3.19Å; E123-T217 WeakPolarHBondContact OE2-CG2 3.09Å; E123-T217 PolarHBondContact OE2-OG1 2.85Å
124	T	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-39.8	175.9	-75.4	0	0	0	0	112.9	A120 A121 L122 G128 K129 Y131 S134 P351 F352	A120-T124 PolarHBondContact O-N 3.07Å; A120-T124 VanDerWaalsContact O-N 3.08Å; A120-T124 PolarHBondContact O-OG1 2.93Å; A121-T124 PolarHBondContact O-N 3.45Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 3.35Å; T124-G128 VanDerWaalsContact O-CA 3.24Å; T124-G128 WeakPolarHBondContact O-CA 3.23Å; T124-G128 PolarHBondContact O-N 3.47Å; T124-K129 WeakPolarHBondContact CB-O 3.32Å; T124-K129 WeakPolarHBondContact CG2-O 3.36Å; T124-K129 PolarHBondContact OG1-O 3.43Å; T124-Y131 WeakPolarHBondContact OG1-CA 3.34Å; T124-Y131 PolarHBondContact OG1-N 2.79Å; T124-S134 PolarHBondContact OG1-OG 3.38Å; T124-P351 HydrophobicContact CG2-CB 3.71Å; T124-P351 HydrophobicContact CG2-CG 3.76Å; T124-F352 HydrophobicContact CG2-CD1 4.06Å; T124-F352 HydrophobicContact CG2-CD2 4.09Å; T124-F352 HydrophobicContact CG2-CE1 3.75Å; T124-F352 HydrophobicContact CG2-CE2 3.78Å; T124-F352 HydrophobicContact CG2-CG 4.24Å; T124-F352 HydrophobicContact CG2-CZ 3.61Å
125	L	98.9	Very high	98.8	Very high	13 Å²	13	11.9 Å²	11.9	7%	0.068	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-45.6	179.8	-174.9	75.3	0	0	0	111.9	P32 N58 I65 A121 L122 E123 F352	P32-L125 HydrophobicContact CG-CB 4.28Å; P32-L125 HydrophobicContact CG-CD2 3.99Å; N58-L125 WeakPolarHBondContact ND2-CD1 3.31Å; N58-L125 PolarHBondContact OD1-O 3.02Å; I65-L125 HydrophobicContact CD1-CD2 4.16Å; I65-L125 HydrophobicContact CD1-CG 3.93Å; I65-L125 HydrophobicContact CG1-CD2 4.25Å; I65-L125 HydrophobicContact CG1-CG 4.27Å; I65-L125 HydrophobicContact CG2-CD2 3.85Å; A121-L125 WeakPolarHBondContact O-CB 3.33Å; A121-L125 PolarHBondContact O-N 2.94Å; L122-L125 HydrophobicContact CD1-CD2 4.33Å; L122-L125 PolarHBondContact O-N 3.44Å; E123-L125 PolarHBondContact O-N 3.47Å; L125-F352 HydrophobicContact CB-CZ 4.38Å; L125-F352 HydrophobicContact CD1-CE2 4.42Å
126	D	98.9	Very high	98.8	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.011	7%	0.066	C	C	.	.	H	α-helix	trans	-87.3	-30.5	-172.2	-152.4	33.6	0	0	0	112.1	T56 I65 L122 T214 P215 L216	T56-D126 WeakPolarHBondContact CG2-OD1 3.29Å; T56-D126 PolarHBondContact OG1-OD1 2.74Å; I65-D126 HydrophobicContact CD1-CB 4.24Å; I65-D126 WeakPolarHBondContact CD1-OD1 3.48Å; L122-D126 WeakPolarHBondContact O-CB 3.21Å; L122-D126 PolarHBondContact O-N 2.92Å; D126-T214 VanDerWaalsContact OD2-C 3.25Å; D126-T214 WeakPolarHBondContact OD2-CA 3.28Å; D126-P215 WeakPolarHBondContact OD2-CD 3.4Å; D126-L216 HydrophobicContact CB-CD1 4.34Å; D126-L216 WeakPolarHBondContact OD2-CB 3.36Å; D126-L216 VanDerWaalsContact OD2-CG 3.27Å; D126-L216 WeakPolarHBondContact OD2-CG 3.44Å; D126-L216 PolarHBondContact OD2-N 3.07Å; D126-L216 VanDerWaalsContact OD2-N 3.12Å
127	N	98.9	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-101.7	-31.3	-178.7	173.6	-90.3	0	0	0	114.6	P59 E123 K129 W185 P188 T214	P59-N127 WeakPolarHBondContact CG-O 3.36Å; E123-N127 WeakPolarHBondContact O-CB 3.41Å; E123-N127 PolarHBondContact O-N 3.33Å; N127-K129 WeakPolarHBondContact OD1-CB 3.31Å; N127-K129 WeakPolarHBondContact OD1-CE 3.11Å; N127-K129 PolarHBondContact OD1-N 2.92Å; N127-W185 PolarHBondContact ND2-O 2.85Å; N127-P188 HydrophobicContact CB-CG 4.49Å; N127-T214 HydrophobicContact CB-CG2 3.93Å
128	G	98.8	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.			trans	91.3	-7.1	-177.1	0	0	0	0	0	116.1	T124 P351 G359 P360	T124-G128 VanDerWaalsContact O-CA 3.24Å; T124-G128 WeakPolarHBondContact O-CA 3.23Å; T124-G128 PolarHBondContact O-N 3.47Å; G128-P351 VanDerWaalsContact O-CB 3.26Å; G128-P351 WeakPolarHBondContact O-CB 3.34Å; G128-G359 WeakPolarHBondContact O-CA 3.05Å; G128-P360 WeakPolarHBondContact O-CD 3.42Å
129	K	98.8	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.			trans	-63	149.2	175.1	70.8	-177.2	69.4	-160.9	0	112.3	E123 T124 N127 Y131 S134 D138 N186	E123-K129 HydrophobicContact CG-CD 4.24Å; T124-K129 WeakPolarHBondContact CB-O 3.32Å; T124-K129 WeakPolarHBondContact CG2-O 3.36Å; T124-K129 PolarHBondContact OG1-O 3.43Å; N127-K129 WeakPolarHBondContact OD1-CB 3.31Å; N127-K129 WeakPolarHBondContact OD1-CE 3.11Å; N127-K129 PolarHBondContact OD1-N 2.92Å; K129-Y131 PolarHBondContact O-N 3.02Å; K129-S134 WeakPolarHBondContact CD-OG 3.14Å; K129-S134 WeakPolarHBondContact CG-OG 3.26Å; K129-D138 IonicContact NZ-OD1 2.68Å; K129-D138 IonicContact NZ-OD2 3.8Å; K129-D138 PolarHBondContact NZ-OD2 3.1Å; K129-N186 PolarHBondContact NZ-O 2.9Å
130	P	98.9	Very high	98.7	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.026	7%	0.065	C	C	.	.			trans	-54.6	136.2	177.9	-26	34.1	0	0	0	113	V132 T133 S134 P351 T356	P130-V132 VanDerWaalsContact C-N 3.26Å; P130-V132 PolarHBondContact O-N 3.33Å; P130-T133 WeakPolarHBondContact O-CA 3.45Å; P130-T133 WeakPolarHBondContact O-CB 3.47Å; P130-T133 PolarHBondContact O-N 3.21Å; P130-S134 PolarHBondContact O-N 3.35Å; P130-S134 PolarHBondContact O-OG 2.64Å; P130-P351 CarbonylContact C-O 3.57Å; P130-P351 WeakPolarHBondContact CA-O 3.24Å; P130-T356 HydrophobicContact CG-CG2 4.35Å
131	Y	98.8	Very high	98.7	Very high	6 Å²	6	13.6 Å²	13.6	2%	0.024	7%	0.074	C	C	.	.	H	α-helix	trans	-57.7	-38.2	-178.4	169.4	-104.6	0	0	0	113	V25 P26 P28 A120 A121 T124 K129 T133 S134 Y135 P351 F352	V25-Y131 HydrophobicContact CG1-CD1 4.21Å; V25-Y131 HydrophobicContact CG1-CE1 3.54Å; P26-Y131 VanDerWaalsContact O-CE1 3.29Å; P26-Y131 WeakPolarHBondContact O-CE1 3.43Å; P26-Y131 PolarHBondContact O-OH 2.81Å; P28-Y131 HydrophobicContact CB-CD1 3.74Å; P28-Y131 HydrophobicContact CB-CD2 3.82Å; P28-Y131 HydrophobicContact CB-CE1 3.67Å; P28-Y131 HydrophobicContact CB-CE2 3.75Å; P28-Y131 HydrophobicContact CB-CG 3.81Å; P28-Y131 HydrophobicContact CG-CD1 3.71Å; P28-Y131 HydrophobicContact CG-CE1 3.86Å; P28-Y131 HydrophobicContact CG-CG 4.11Å; A120-Y131 HydrophobicContact CB-CD2 4.1Å; A120-Y131 HydrophobicContact CB-CE2 3.67Å; A121-Y131 HydrophobicContact CB-CD2 4.34Å; A121-Y131 HydrophobicContact CB-CE2 4.18Å; T124-Y131 WeakPolarHBondContact OG1-CA 3.34Å; T124-Y131 PolarHBondContact OG1-N 2.79Å; K129-Y131 PolarHBondContact O-N 3.02Å; Y131-T133 VanDerWaalsContact C-N 3.26Å; Y131-T133 PolarHBondContact O-N 2.99Å; Y131-S134 PolarHBondContact O-N 2.97Å; Y131-Y135 WeakPolarHBondContact O-CB 3.48Å; Y131-Y135 PolarHBondContact O-N 3Å; Y131-P351 PolarHBondContact N-O 3.01Å; Y131-F352 HydrophobicContact CD2-CE1 4.47Å; Y131-F352 HydrophobicContact CG-CD1 4.35Å
132	V	98.4	Very high	98.7	Very high	42 Å²	42	13.6 Å²	13.6	26%	0.255	7%	0.074	S	C	.	.	H	α-helix	trans	-59.2	-41.5	175.8	176.7	0	0	0	0	110.7	V25 P130 L136	V25-V132 HydrophobicContact CG2-CG1 4.46Å; P130-V132 VanDerWaalsContact C-N 3.26Å; P130-V132 PolarHBondContact O-N 3.33Å; V132-L136 HydrophobicContact CG1-CD1 3.8Å; V132-L136 HydrophobicContact CG1-CG 4.47Å; V132-L136 WeakPolarHBondContact O-CB 3.21Å; V132-L136 PolarHBondContact O-N 2.87Å
133	T	98.3	Very high	98.7	Very high	31 Å²	31	13.7 Å²	13.7	19%	0.19	8%	0.075	C	C	.	.	H	α-helix	trans	-67.6	-47.7	175.8	-53.8	0	0	0	0	111	P130 Y131 Y135 V137 D138 F313	P130-T133 WeakPolarHBondContact O-CA 3.45Å; P130-T133 WeakPolarHBondContact O-CB 3.47Å; P130-T133 PolarHBondContact O-N 3.21Å; Y131-T133 VanDerWaalsContact C-N 3.26Å; Y131-T133 PolarHBondContact O-N 2.99Å; T133-Y135 VanDerWaalsContact C-N 3.26Å; T133-Y135 PolarHBondContact O-N 2.81Å; T133-V137 HydrophobicContact CG2-CB 4.07Å; T133-V137 HydrophobicContact CG2-CG2 4.11Å; T133-V137 WeakPolarHBondContact O-CA 3.29Å; T133-V137 VanDerWaalsContact O-CB 3.26Å; T133-V137 WeakPolarHBondContact O-CB 3.39Å; T133-V137 PolarHBondContact O-N 3.01Å; T133-D138 PolarHBondContact O-N 3.3Å; T133-F313 HydrophobicContact CG2-CE2 3.84Å; T133-F313 HydrophobicContact CG2-CZ 4.43Å
134	S	98.7	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-52.6	-46.5	175.1	-59	0	0	0	0	111.5	A120 T124 K129 P130 Y131 L139	A120-S134 WeakPolarHBondContact O-CB 3.46Å; T124-S134 PolarHBondContact OG1-OG 3.38Å; K129-S134 WeakPolarHBondContact CD-OG 3.14Å; K129-S134 WeakPolarHBondContact CG-OG 3.26Å; P130-S134 PolarHBondContact O-N 3.35Å; P130-S134 PolarHBondContact O-OG 2.64Å; Y131-S134 PolarHBondContact O-N 2.97Å; S134-L139 WeakPolarHBondContact O-CB 3.06Å; S134-L139 WeakPolarHBondContact O-CD2 3.27Å; S134-L139 PolarHBondContact O-N 3.29Å
135	Y	98.8	Very high	98.7	Very high	17 Å²	17	19.5 Å²	19.5	7%	0.067	10%	0.1	C	C	.	.	I	π-helix	trans	-73.8	-50.2	-175.9	-172.8	-90.6	0	0	0	113	V25 P26 R116 A120 Y131 T133	V25-Y135 HydrophobicContact CG1-CD1 4.02Å; V25-Y135 HydrophobicContact CG1-CG 4.17Å; V25-Y135 HydrophobicContact CG2-CD1 4.4Å; P26-Y135 HydrophobicContact CG-CE2 3.97Å; R116-Y135 HydrophobicContact CB-CE2 4.26Å; R116-Y135 HydrophobicContact CG-CD2 3.89Å; R116-Y135 HydrophobicContact CG-CE2 3.63Å; R116-Y135 PolarHBondContact NE-O 3.42Å; R116-Y135 VanDerWaalsContact NE-O 3.09Å; R116-Y135 PolarHBondContact NH2-O 3.09Å; A120-Y135 HydrophobicContact CB-CD2 4.1Å; Y131-Y135 WeakPolarHBondContact O-CB 3.48Å; Y131-Y135 PolarHBondContact O-N 3Å; T133-Y135 VanDerWaalsContact C-N 3.26Å; T133-Y135 PolarHBondContact O-N 2.81Å
136	L	98.1	Very high	98.7	Very high	37 Å²	37	19 Å²	19	19%	0.194	10%	0.098	C	C	.	.	I	π-helix	trans	-85.9	-25	-172.1	-67.2	179.2	0	0	0	113.9	L17 V25 V132 D140	L17-L136 HydrophobicContact CD2-CD1 3.96Å; V25-L136 HydrophobicContact CG2-CD1 3.68Å; V25-L136 HydrophobicContact CG2-CD2 3.96Å; V25-L136 HydrophobicContact CG2-CG 3.8Å; V132-L136 HydrophobicContact CG1-CD1 3.8Å; V132-L136 HydrophobicContact CG1-CG 4.47Å; V132-L136 WeakPolarHBondContact O-CB 3.21Å; V132-L136 PolarHBondContact O-N 2.87Å; L136-D140 VanDerWaalsContact O-CB 3.31Å; L136-D140 WeakPolarHBondContact O-CB 3.2Å
137	V	98	Very high	98.7	Very high	43 Å²	43	22.7 Å²	22.7	26%	0.261	11%	0.112	S	C	.	.	I	π-helix	trans	-109.6	-70.7	-175.7	-174.5	0	0	0	0	110.2	T133 L139 D140 M141 F313	T133-V137 HydrophobicContact CG2-CB 4.07Å; T133-V137 HydrophobicContact CG2-CG2 4.11Å; T133-V137 WeakPolarHBondContact O-CA 3.29Å; T133-V137 VanDerWaalsContact O-CB 3.26Å; T133-V137 WeakPolarHBondContact O-CB 3.39Å; T133-V137 PolarHBondContact O-N 3.01Å; V137-L139 PolarHBondContact O-N 2.84Å; V137-D140 PolarHBondContact O-N 2.87Å; V137-M141 HydrophobicContact CG1-SD 3.86Å; V137-M141 WeakPolarHBondContact O-CB 3.34Å; V137-M141 VanDerWaalsContact O-CG 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.28Å; V137-M141 PolarHBondContact O-N 3.08Å; V137-F313 HydrophobicContact CG1-CZ 4.19Å
138	D	98.6	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.119	C	C	.	.	I	π-helix	trans	-56.3	-55.6	-172.7	-70.6	65.1	0	0	0	112.2	K129 T133 D140 M141 V142 F187	K129-D138 IonicContact NZ-OD1 2.68Å; K129-D138 IonicContact NZ-OD2 3.8Å; K129-D138 PolarHBondContact NZ-OD2 3.1Å; T133-D138 PolarHBondContact O-N 3.3Å; D138-D140 VanDerWaalsContact C-N 3.34Å; D138-D140 PolarHBondContact O-N 3.42Å; D138-M141 PolarHBondContact O-N 3.4Å; D138-V142 VanDerWaalsContact O-CG2 3.23Å; D138-V142 WeakPolarHBondContact O-CG2 3.48Å; D138-V142 PolarHBondContact O-N 3.29Å; D138-F187 WeakPolarHBondContact OD2-CD1 3.29Å
139	L	98.8	Very high	98.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-36	-178	-91.5	-65.7	0	0	0	112.2	I112 R116 L119 A120 S134 V137 V142 L143 L189	I112-L139 HydrophobicContact CG2-CD1 3.66Å; R116-L139 HydrophobicContact CG-CB 3.86Å; R116-L139 HydrophobicContact CG-CD1 4.4Å; R116-L139 HydrophobicContact CG-CG 3.98Å; L119-L139 HydrophobicContact CB-CD1 4.08Å; L119-L139 HydrophobicContact CD1-CD1 4.27Å; A120-L139 HydrophobicContact CB-CD2 4.17Å; A120-L139 HydrophobicContact CB-CG 4.46Å; S134-L139 WeakPolarHBondContact O-CB 3.06Å; S134-L139 WeakPolarHBondContact O-CD2 3.27Å; S134-L139 PolarHBondContact O-N 3.29Å; V137-L139 PolarHBondContact O-N 2.84Å; L139-V142 PolarHBondContact O-N 2.81Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.27Å; L139-L189 HydrophobicContact CD1-CD1 4.18Å; L139-L189 HydrophobicContact CD2-CD1 3.56Å
140	D	98.6	Very high	98.7	Very high	44 Å²	44	24.9 Å²	24.9	24%	0.235	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-44.3	174.9	-177.1	62.8	0	0	0	111.4	L136 V137 D138 L143 K144	L136-D140 VanDerWaalsContact O-CB 3.31Å; L136-D140 WeakPolarHBondContact O-CB 3.2Å; V137-D140 PolarHBondContact O-N 2.87Å; D138-D140 VanDerWaalsContact C-N 3.34Å; D138-D140 PolarHBondContact O-N 3.42Å; D140-L143 PolarHBondContact O-N 2.72Å; D140-K144 WeakPolarHBondContact O-CB 3.48Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 3.01Å; D140-K144 IonicContact OD1-NZ 3.46Å; D140-K144 WeakPolarHBondContact OD2-CD 3.17Å; D140-K144 WeakPolarHBondContact OD2-CE 3.24Å; D140-K144 IonicContact OD2-NZ 3.93Å; D140-K144 PolarHBondContact OD2-NZ 3.26Å
141	M	98.6	Very high	98.7	Very high	41 Å²	41	26.2 Å²	26.2	20%	0.202	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-36.6	177.3	-69.2	-179.5	68.7	0	0	112.4	V137 D138 K144 C145 L190 F476	V137-M141 HydrophobicContact CG1-SD 3.86Å; V137-M141 WeakPolarHBondContact O-CB 3.34Å; V137-M141 VanDerWaalsContact O-CG 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.28Å; V137-M141 PolarHBondContact O-N 3.08Å; D138-M141 PolarHBondContact O-N 3.4Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-C145 WeakPolarHBondContact O-CB 3.26Å; M141-C145 PolarHBondContact O-N 3.09Å; M141-L190 HydrophobicContact CB-CD1 3.56Å; M141-L190 HydrophobicContact CB-CD2 4.35Å; M141-L190 HydrophobicContact CE-CD1 4.45Å; M141-L190 HydrophobicContact CE-CD2 3.78Å; M141-L190 HydrophobicContact SD-CD2 4.16Å; M141-F476 HydrophobicContact CE-CB 3.47Å; M141-F476 VanDerWaalsContact CE-CB 3.47Å; M141-F476 HydrophobicContact CE-CD2 4.34Å; M141-F476 HydrophobicContact CE-CG 4.07Å
142	V	98.9	Very high	98.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-52.1	172.1	165.8	0	0	0	0	110.5	I112 D138 L139 K144 C145 L146 L189 L190 A193	I112-V142 HydrophobicContact CD1-CG1 4.2Å; I112-V142 HydrophobicContact CG2-CG1 4.06Å; D138-V142 VanDerWaalsContact O-CG2 3.23Å; D138-V142 WeakPolarHBondContact O-CG2 3.48Å; D138-V142 PolarHBondContact O-N 3.29Å; L139-V142 PolarHBondContact O-N 2.81Å; V142-K144 PolarHBondContact O-N 3.29Å; V142-C145 PolarHBondContact O-N 3.11Å; V142-L146 HydrophobicContact CG1-CD1 4.05Å; V142-L146 WeakPolarHBondContact O-CG 3.19Å; V142-L146 PolarHBondContact O-N 2.83Å; V142-L189 HydrophobicContact CG2-CB 3.85Å; V142-L190 HydrophobicContact CG2-CB 4.26Å; V142-L190 HydrophobicContact CG2-CD1 4.26Å; V142-A193 HydrophobicContact CB-CB 4.29Å; V142-A193 HydrophobicContact CG1-CB 4.01Å; V142-A193 HydrophobicContact CG2-CB 4.15Å
143	L	98.9	Very high	98.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-46.4	-179.4	-67.3	173.6	0	0	0	111.3	A109 I112 E113 L139 D140 C145 R147	A109-L143 HydrophobicContact CB-CD2 4.17Å; A109-L143 WeakPolarHBondContact O-CD2 3.43Å; I112-L143 HydrophobicContact CB-CD2 4.05Å; I112-L143 HydrophobicContact CG2-CD2 3.83Å; E113-L143 HydrophobicContact CB-CD1 3.89Å; E113-L143 HydrophobicContact CB-CD2 3.79Å; E113-L143 HydrophobicContact CG-CD1 3.94Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 3.27Å; D140-L143 PolarHBondContact O-N 2.72Å; L143-C145 PolarHBondContact O-N 2.78Å; L143-R147 VanDerWaalsContact O-CB 3.28Å; L143-R147 WeakPolarHBondContact O-CB 3.41Å; L143-R147 VanDerWaalsContact O-CG 3.26Å; L143-R147 WeakPolarHBondContact O-CG 3.45Å; L143-R147 PolarHBondContact O-N 3.01Å
144	K	98.8	Very high	98.7	Very high	121 Å²	121	28.8 Å²	28.8	53%	0.526	14%	0.144	S	C	.	.	H	α-helix	trans	-61.7	-42.4	176.6	-74.6	171.9	175.9	169.8	0	112.1	D140 M141 V142 Y148	D140-K144 WeakPolarHBondContact O-CB 3.48Å; D140-K144 WeakPolarHBondContact O-CG 3.32Å; D140-K144 PolarHBondContact O-N 3.01Å; D140-K144 IonicContact OD1-NZ 3.46Å; D140-K144 WeakPolarHBondContact OD2-CD 3.17Å; D140-K144 WeakPolarHBondContact OD2-CE 3.24Å; D140-K144 IonicContact OD2-NZ 3.93Å; D140-K144 PolarHBondContact OD2-NZ 3.26Å; M141-K144 PolarHBondContact O-N 3.26Å; V142-K144 PolarHBondContact O-N 3.29Å; K144-Y148 WeakPolarHBondContact O-CB 3.43Å; K144-Y148 PolarHBondContact O-N 2.84Å
145	C	98.9	Very high	98.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-49	179.2	-177.6	0	0	0	0	112	M141 V142 L143 Y148 Y149 A193 A478	M141-C145 WeakPolarHBondContact O-CB 3.26Å; M141-C145 PolarHBondContact O-N 3.09Å; V142-C145 PolarHBondContact O-N 3.11Å; L143-C145 PolarHBondContact O-N 2.78Å; C145-Y148 PolarHBondContact O-N 3.3Å; C145-Y149 WeakPolarHBondContact O-CD2 3.13Å; C145-Y149 PolarHBondContact O-N 3.03Å; C145-A193 HydrophobicContact CB-CB 4.4Å; C145-A478 HydrophobicContact CB-CB 4.5Å
146	L	98.9	Very high	98.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-45.2	179.2	-67.6	175.3	0	0	0	111.6	L105 L108 A109 I112 V142 Y148 Y149 A150 A193	L105-L146 HydrophobicContact CD2-CD2 4.25Å; L108-L146 HydrophobicContact CD2-CD1 4.33Å; L108-L146 HydrophobicContact CG-CD1 4.31Å; A109-L146 HydrophobicContact CB-CB 4.08Å; A109-L146 HydrophobicContact CB-CD1 4.46Å; I112-L146 HydrophobicContact CD1-CD1 3.48Å; I112-L146 VanDerWaalsContact CD1-CD1 3.48Å; V142-L146 HydrophobicContact CG1-CD1 4.05Å; V142-L146 WeakPolarHBondContact O-CG 3.19Å; V142-L146 PolarHBondContact O-N 2.83Å; L146-Y148 VanDerWaalsContact C-N 3.34Å; L146-Y148 PolarHBondContact O-N 3.02Å; L146-Y149 PolarHBondContact O-N 3.23Å; L146-A150 WeakPolarHBondContact O-CB 3.36Å; L146-A150 PolarHBondContact O-N 3.28Å; L146-A193 HydrophobicContact CD2-CB 4.23Å; L146-A193 HydrophobicContact CG-CB 4.17Å
147	R	98.9	Very high	98.8	Very high	80 Å²	80	40.2 Å²	40.2	30%	0.302	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-36.3	177.4	-72.1	172.4	168.1	155	-1.1	112.3	A109 D110 E113 L143 A150 G151	A109-R147 HydrophobicContact CB-CG 3.76Å; D110-R147 IonicContact OD1-CZ 3.19Å; D110-R147 IonicContact OD1-NE 2.89Å; D110-R147 IonicContact OD1-NH2 2.81Å; D110-R147 PolarHBondContact OD1-NH2 3.49Å; E113-R147 IonicContact OE1-NH1 3.55Å; E113-R147 IonicContact OE2-CZ 3.84Å; E113-R147 IonicContact OE2-NH1 2.89Å; E113-R147 PolarHBondContact OE2-NH1 2.94Å; E113-R147 VanDerWaalsContact OE2-NH1 3.14Å; E113-R147 IonicContact OE2-NH2 2.69Å; E113-R147 PolarHBondContact OE2-NH2 2.98Å; L143-R147 VanDerWaalsContact O-CB 3.28Å; L143-R147 WeakPolarHBondContact O-CB 3.41Å; L143-R147 VanDerWaalsContact O-CG 3.26Å; L143-R147 WeakPolarHBondContact O-CG 3.45Å; L143-R147 PolarHBondContact O-N 3.01Å; R147-A150 WeakPolarHBondContact O-CB 3.39Å; R147-G151 PolarHBondContact O-N 2.99Å
148	Y	98.9	Very high	98.8	Very high	42 Å²	42	39.7 Å²	39.7	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-53.1	173.6	173.2	-98.7	0	0	0	111.3	K144 C145 L146 A150 G151 W152 A478 Q479 G495 E496	K144-Y148 WeakPolarHBondContact O-CB 3.43Å; K144-Y148 PolarHBondContact O-N 2.84Å; C145-Y148 PolarHBondContact O-N 3.3Å; L146-Y148 VanDerWaalsContact C-N 3.34Å; L146-Y148 PolarHBondContact O-N 3.02Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 3.49Å; Y148-G151 PolarHBondContact O-N 3.01Å; Y148-G151 VanDerWaalsContact O-N 3.1Å; Y148-W152 AromaticContact CE1-CD1 3.52Å; Y148-W152 AromaticContact CE1-NE1 3.41Å; Y148-W152 AromaticContact CE2-NE1 3.54Å; Y148-W152 AromaticContact CZ-CD1 3.62Å; Y148-W152 AromaticContact CZ-NE1 3.01Å; Y148-W152 PolarHBondContact OH-NE1 2.95Å; Y148-A478 HydrophobicContact CD1-CB 3.93Å; Y148-A478 WeakPolarHBondContact CD1-O 3.33Å; Y148-A478 HydrophobicContact CD2-CB 4.34Å; Y148-A478 WeakPolarHBondContact CE1-O 3.41Å; Y148-A478 HydrophobicContact CG-CB 3.71Å; Y148-Q479 HydrophobicContact CD2-CG 3.92Å; Y148-Q479 HydrophobicContact CE2-CB 3.99Å; Y148-Q479 HydrophobicContact CE2-CG 3.68Å; Y148-G495 VanDerWaalsContact OH-CA 3.29Å; Y148-G495 WeakPolarHBondContact OH-CA 3.32Å; Y148-E496 PolarHBondContact OH-N 3.02Å
149	Y	98.9	Very high	98.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.4	-26.3	-179	-81.4	-62.5	0	0	0	113.9	C145 L146 G151 W152 A153 P198 A201 L494 G495 L499	C145-Y149 WeakPolarHBondContact O-CD2 3.13Å; C145-Y149 PolarHBondContact O-N 3.03Å; L146-Y149 PolarHBondContact O-N 3.23Å; Y149-G151 PolarHBondContact O-N 3.39Å; Y149-W152 HydrophobicContact CD1-CB 4.46Å; Y149-W152 PolarHBondContact O-N 2.91Å; Y149-A153 PolarHBondContact O-N 2.79Å; Y149-P198 HydrophobicContact CD1-CB 4.03Å; Y149-P198 HydrophobicContact CE1-CB 3.62Å; Y149-P198 HydrophobicContact CE1-CG 4.37Å; Y149-P198 HydrophobicContact CE2-CB 4.2Å; Y149-P198 HydrophobicContact CE2-CG 4.07Å; Y149-P198 HydrophobicContact CG-CB 4.47Å; Y149-A201 VanDerWaalsContact O-CB 3.27Å; Y149-A201 WeakPolarHBondContact O-CB 3.35Å; Y149-L494 HydrophobicContact CE2-CD2 4.32Å; Y149-L494 WeakPolarHBondContact OH-CA 3.39Å; Y149-L494 PolarHBondContact OH-N 2.83Å; Y149-L494 PolarHBondContact OH-O 3.44Å; Y149-G495 PolarHBondContact OH-O 2.91Å; Y149-L499 HydrophobicContact CD1-CD2 3.74Å; Y149-L499 HydrophobicContact CE1-CD2 3.61Å; Y149-L499 HydrophobicContact CE1-CG 4.17Å
150	A	98.9	Very high	98.8	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-55.6	-37.8	168.8	0	0	0	0	0	111.8	G102 L105 N106 L146 R147 Y148 W152	G102-A150 VanDerWaalsContact CA-O 3.31Å; G102-A150 WeakPolarHBondContact CA-O 3.4Å; G102-A150 WeakPolarHBondContact O-CB 3.31Å; L105-A150 HydrophobicContact CB-CB 3.65Å; N106-A150 WeakPolarHBondContact ND2-CB 3.19Å; L146-A150 WeakPolarHBondContact O-CB 3.36Å; L146-A150 PolarHBondContact O-N 3.28Å; R147-A150 WeakPolarHBondContact O-CB 3.39Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 3.49Å; A150-W152 VanDerWaalsContact C-N 3.29Å; A150-W152 PolarHBondContact O-N 3.08Å
151	G	98.8	Very high	98.9	Very high	32 Å²	32	52.6 Å²	52.6	33%	0.33	26%	0.263	S	S	.	.	H	α-helix	trans	-68.4	-23	175.8	0	0	0	0	0	114.5	R147 Y148 Y149 K155	R147-G151 PolarHBondContact O-N 2.99Å; Y148-G151 PolarHBondContact O-N 3.01Å; Y148-G151 VanDerWaalsContact O-N 3.1Å; Y149-G151 PolarHBondContact O-N 3.39Å; G151-K155 VanDerWaalsContact O-CD 3.27Å; G151-K155 WeakPolarHBondContact O-CD 3.29Å; G151-K155 WeakPolarHBondContact O-CE 3.43Å; G151-K155 PolarHBondContact O-NZ 3.14Å
152	W	98.9	Very high	98.8	Very high	50 Å²	50	56.3 Å²	56.3	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-86.4	-14.9	-179.3	-83.2	106.7	0	0	0	114.7	Y148 Y149 A150 D154 K155 E496 L499	Y148-W152 AromaticContact CE1-CD1 3.52Å; Y148-W152 AromaticContact CE1-NE1 3.41Å; Y148-W152 AromaticContact CE2-NE1 3.54Å; Y148-W152 AromaticContact CZ-CD1 3.62Å; Y148-W152 AromaticContact CZ-NE1 3.01Å; Y148-W152 PolarHBondContact OH-NE1 2.95Å; Y149-W152 HydrophobicContact CD1-CB 4.46Å; Y149-W152 PolarHBondContact O-N 2.91Å; A150-W152 VanDerWaalsContact C-N 3.29Å; A150-W152 PolarHBondContact O-N 3.08Å; W152-D154 PolarHBondContact O-N 3.21Å; W152-K155 HydrophobicContact CE3-CB 3.95Å; W152-K155 HydrophobicContact CZ3-CB 4.24Å; W152-K155 PolarHBondContact O-N 2.85Å; W152-E496 HydrophobicContact CH2-CB 3.85Å; W152-E496 HydrophobicContact CH2-CG 3.62Å; W152-E496 WeakPolarHBondContact CH2-OE2 3.35Å; W152-E496 HydrophobicContact CZ2-CB 3.78Å; W152-E496 HydrophobicContact CZ2-CG 4.07Å; W152-E496 HydrophobicContact CZ3-CG 4.02Å; W152-L499 HydrophobicContact CB-CD1 3.96Å; W152-L499 HydrophobicContact CB-CD2 4.22Å; W152-L499 HydrophobicContact CD2-CD1 3.64Å; W152-L499 HydrophobicContact CE3-CD1 3.57Å; W152-L499 HydrophobicContact CG-CD1 3.83Å; W152-L499 HydrophobicContact CZ3-CD1 4.28Å
153	A	98.9	Very high	98.8	Very high	8 Å²	8	59.2 Å²	59.2	7%	0.066	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.6	-169.5	0	0	0	0	0	114.1	A98 R101 Y149 A201	A98-A153 WeakPolarHBondContact CB-O 3.3Å; A98-A153 VanDerWaalsContact O-CB 3.26Å; A98-A153 WeakPolarHBondContact O-CB 3.46Å; R101-A153 HydrophobicContact CB-CB 4.28Å; R101-A153 PolarHBondContact NH2-O 2.81Å; R101-A153 VanDerWaalsContact NH2-O 3.15Å; Y149-A153 PolarHBondContact O-N 2.79Å; A153-A201 WeakPolarHBondContact CA-O 3.4Å; A153-A201 HydrophobicContact CB-CB 4.2Å
154	D	98.8	Very high	98.8	Very high	75 Å²	75	65.8 Å²	65.8	40%	0.401	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	16.1	179.9	62.2	-1.4	0	0	0	114.6	A98 S99 W152	A98-D154 HydrophobicContact CB-CB 3.84Å; S99-D154 WeakPolarHBondContact CB-OD2 3.03Å; W152-D154 PolarHBondContact O-N 3.21Å
155	K	98.9	Very high	98.8	Very high	100 Å²	100	62 Å²	62	44%	0.435	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-0.8	-173.5	-57.6	-175	-177.1	56.6	0	115.2	G151 W152 H157	G151-K155 VanDerWaalsContact O-CD 3.27Å; G151-K155 WeakPolarHBondContact O-CD 3.29Å; G151-K155 WeakPolarHBondContact O-CE 3.43Å; G151-K155 PolarHBondContact O-NZ 3.14Å; W152-K155 HydrophobicContact CE3-CB 3.95Å; W152-K155 HydrophobicContact CZ3-CB 4.24Å; W152-K155 PolarHBondContact O-N 2.85Å; K155-H157 VanDerWaalsContact C-N 3.31Å; K155-H157 PolarHBondContact O-CE1 2.99Å; K155-H157 PolarHBondContact O-N 2.68Å; K155-H157 VanDerWaalsContact O-N 3.08Å; K155-H157 PolarHBondContact O-ND1 2.96Å
156	Y	98.8	Very high	98.8	Very high	54 Å²	54	65.5 Å²	65.5	21%	0.212	35%	0.354	C	S	.	.			trans	-88.7	69.8	179.8	-159.4	-119.3	0	0	0	112	H173 E496 L499 Q500 T503	Y156-H173 HydrophobicContact CD1-CB 4.37Å; Y156-H173 AromaticContact CD1-ND1 3.4Å; Y156-H173 WeakPolarHBondContact CD1-ND1 3.42Å; Y156-H173 AromaticContact CE1-CE1 3.89Å; Y156-H173 AromaticContact CE1-ND1 3.4Å; Y156-H173 WeakPolarHBondContact CE1-ND1 3.2Å; Y156-H173 PolarHBondContact O-ND1 3.26Å; Y156-E496 HydrophobicContact CD2-CG 4.32Å; Y156-E496 HydrophobicContact CE2-CG 3.99Å; Y156-L499 HydrophobicContact CD1-CB 4.24Å; Y156-L499 HydrophobicContact CD2-CB 4.13Å; Y156-L499 HydrophobicContact CD2-CD1 3.52Å; Y156-L499 HydrophobicContact CD2-CG 4.49Å; Y156-L499 HydrophobicContact CE1-CB 4.19Å; Y156-L499 HydrophobicContact CE2-CB 4.1Å; Y156-L499 HydrophobicContact CE2-CD1 4.12Å; Y156-L499 HydrophobicContact CG-CB 4.21Å; Y156-L499 HydrophobicContact CG-CD1 3.85Å; Y156-Q500 VanDerWaalsContact OH-CG 3.32Å; Y156-Q500 WeakPolarHBondContact OH-CG 3.24Å; Y156-T503 HydrophobicContact CD1-CG2 4.46Å; Y156-T503 HydrophobicContact CE1-CG2 4.09Å; Y156-T503 WeakPolarHBondContact CE1-OG1 3.36Å
157	H	98.9	Very high	98.8	Very high	140 Å²	140	69.5 Å²	69.5	65%	0.648	37%	0.371	S	S	*	.			trans	-60.1	147.1	-172.5	-48.5	93	0	0	0	113.5	K155 H173	K155-H157 VanDerWaalsContact C-N 3.31Å; K155-H157 PolarHBondContact O-CE1 2.99Å; K155-H157 PolarHBondContact O-N 2.68Å; K155-H157 VanDerWaalsContact O-N 3.08Å; K155-H157 PolarHBondContact O-ND1 2.96Å; H157-H173 PolarHBondContact O-CE1 3.48Å; H157-H173 PolarHBondContact O-ND1 3.09Å; H157-H173 VanDerWaalsContact O-ND1 3.07Å
158	G	98.6	Very high	98.8	Very high	32 Å²	32	70.4 Å²	70.4	33%	0.33	38%	0.377	S	S	.	.			trans	-73.9	-160.9	160.6	0	0	0	0	0	112.1
159	K	98.9	Very high	98.8	Very high	135 Å²	135	68.5 Å²	68.5	59%	0.587	37%	0.371	S	S	*	.			trans	-135	147.1	-177.6	-57.3	-174.9	-172.8	-62.7	0	111.2	I161 Y170 T171	K159-I161 HydrophobicContact CB-CG1 4.21Å; K159-Y170 CarbonylContact O-C 3.49Å; K159-Y170 WeakPolarHBondContact O-CA 3.46Å; K159-Y170 VanDerWaalsContact O-CB 3.3Å; K159-Y170 WeakPolarHBondContact O-CB 3.34Å; K159-T171 PolarHBondContact N-OG1 3.43Å; K159-T171 PolarHBondContact O-N 3.25Å
160	T	98.8	Very high	98.8	Very high	111 Å²	111	72.1 Å²	72.1	68%	0.681	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.8	158.6	51.1	0	0	0	0	108.2	F168	T160-F168 HydrophobicContact CG2-CE2 4.09Å; T160-F168 HydrophobicContact CG2-CZ 4.4Å
161	I	98.8	Very high	98.8	Very high	70 Å²	70	72.7 Å²	72.7	36%	0.359	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.2	-169.1	-57.9	173.5	0	0	0	109.5	K159 I163 S169 T171	K159-I161 HydrophobicContact CB-CG1 4.21Å; I161-I163 PolarHBondContact O-N 3.02Å; I161-S169 PolarHBondContact N-O 3.39Å; I161-T171 HydrophobicContact CD1-CG2 3.85Å
162	P	98.4	Very high	98.8	Very high	119 Å²	119	77 Å²	77	77%	0.773	39%	0.394	S	S	*	.			trans	-77.9	70.4	178.6	33.5	-35.6	0	0	0	110.8
163	I	98.6	Very high	98.8	Very high	62 Å²	62	77.1 Å²	77.1	32%	0.318	40%	0.397	S	S	.	.			trans	-68	155.4	179.7	-165.3	169	0	0	0	111.8	I161 F167 K515	I161-I163 PolarHBondContact O-N 3.02Å; I163-F167 HydrophobicContact CG2-CB 3.76Å; I163-K515 PolarHBondContact O-NZ 3.28Å
164	D	98.6	Very high	98.8	Very high	141 Å²	141	78.2 Å²	78.2	75%	0.754	40%	0.4	S	S	*	.	S	Bend	trans	-64.1	154.4	170.9	-66.3	-27.6	0	0	0	112.2
165	G	98.4	Very high	98.8	Very high	41 Å²	41	75.8 Å²	75.8	42%	0.423	39%	0.389	S	S	.	.	S	Bend	trans	73.8	-175.6	-177.6	0	0	0	0	0	114.8	F167 K515	G165-F167 VanDerWaalsContact C-N 3.27Å; G165-F167 PolarHBondContact O-N 3.42Å; G165-K515 WeakPolarHBondContact O-CD 3.4Å; G165-K515 WeakPolarHBondContact O-CE 3.46Å
166	D	98.7	Very high	98.8	Very high	77 Å²	77	71.7 Å²	71.7	41%	0.412	37%	0.372	S	S	.	.	S	Bend	trans	-85	64.8	-178.4	-65.2	-51	0	0	0	111.8	V512 Q514 K515	D166-V512 VanDerWaalsContact C-CG2 3.44Å; D166-V512 HydrophobicContact CB-CG2 4.35Å; D166-V512 WeakPolarHBondContact O-CG2 3.24Å; D166-V512 PolarHBondContact O-N 2.98Å; D166-Q514 WeakPolarHBondContact OD1-CA 3.39Å; D166-K515 PolarHBondContact OD1-N 3.29Å
167	F	98.8	Very high	98.8	Very high	86 Å²	86	69.1 Å²	69.1	38%	0.377	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.2	178.8	-56.9	-84.6	0	0	0	112	I163 G165 T509 V510 K511	I163-F167 HydrophobicContact CG2-CB 3.76Å; G165-F167 VanDerWaalsContact C-N 3.27Å; G165-F167 PolarHBondContact O-N 3.42Å; F167-T509 HydrophobicContact CB-CG2 3.75Å; F167-T509 HydrophobicContact CD1-CG2 3.9Å; F167-T509 HydrophobicContact CG-CG2 3.99Å; F167-V510 CarbonylContact C-O 3.55Å; F167-V510 VanDerWaalsContact CA-O 3.31Å; F167-V510 WeakPolarHBondContact CA-O 3.49Å; F167-K511 HydrophobicContact CD1-CB 4.13Å; F167-K511 HydrophobicContact CE1-CB 4.01Å; F167-K511 HydrophobicContact CE1-CG 4.25Å
168	F	98.8	Very high	98.8	Very high	99 Å²	99	62.4 Å²	62.4	43%	0.434	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116	163.9	171.6	-134	0	0	0	108.6	T160 Y170 V510 V512	T160-F168 HydrophobicContact CG2-CE2 4.09Å; T160-F168 HydrophobicContact CG2-CZ 4.4Å; F168-Y170 HydrophobicContact CD1-CD1 4.04Å; F168-Y170 HydrophobicContact CD1-CE1 4.32Å; F168-Y170 AromaticContact CE1-CD1 3.48Å; F168-Y170 HydrophobicContact CE1-CD1 3.48Å; F168-Y170 VanDerWaalsContact CE1-CD1 3.48Å; F168-Y170 AromaticContact CE1-CE1 3.83Å; F168-Y170 HydrophobicContact CE1-CE1 3.83Å; F168-Y170 HydrophobicContact CE1-CG 4.38Å; F168-Y170 HydrophobicContact CE2-CD1 4.32Å; F168-Y170 AromaticContact CZ-CD1 3.64Å; F168-Y170 HydrophobicContact CZ-CD1 3.64Å; F168-Y170 HydrophobicContact CZ-CE1 4.39Å; F168-Y170 HydrophobicContact CZ-CG 4.14Å; F168-V510 PolarHBondContact N-O 2.99Å; F168-V510 PolarHBondContact O-N 3.27Å; F168-V512 HydrophobicContact CB-CG1 3.8Å
169	S	98.8	Very high	98.8	Very high	3 Å²	3	61 Å²	61	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.9	178.5	-166.7	0	0	0	0	111.1	I161 I508 T509	I161-S169 PolarHBondContact N-O 3.39Å; S169-I508 WeakPolarHBondContact CA-O 3.37Å; S169-T509 PolarHBondContact OG-OG1 2.88Å; S169-T509 VanDerWaalsContact OG-OG1 3.11Å
170	Y	98.9	Very high	98.8	Very high	76 Å²	76	54.5 Å²	54.5	30%	0.298	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.3	173.8	67.4	-83.7	0	0	0	111.5	K159 F168 R172 I508	K159-Y170 CarbonylContact O-C 3.49Å; K159-Y170 WeakPolarHBondContact O-CA 3.46Å; K159-Y170 VanDerWaalsContact O-CB 3.3Å; K159-Y170 WeakPolarHBondContact O-CB 3.34Å; F168-Y170 HydrophobicContact CD1-CD1 4.04Å; F168-Y170 HydrophobicContact CD1-CE1 4.32Å; F168-Y170 AromaticContact CE1-CD1 3.48Å; F168-Y170 HydrophobicContact CE1-CD1 3.48Å; F168-Y170 VanDerWaalsContact CE1-CD1 3.48Å; F168-Y170 AromaticContact CE1-CE1 3.83Å; F168-Y170 HydrophobicContact CE1-CE1 3.83Å; F168-Y170 HydrophobicContact CE1-CG 4.38Å; F168-Y170 HydrophobicContact CE2-CD1 4.32Å; F168-Y170 AromaticContact CZ-CD1 3.64Å; F168-Y170 HydrophobicContact CZ-CD1 3.64Å; F168-Y170 HydrophobicContact CZ-CE1 4.39Å; F168-Y170 HydrophobicContact CZ-CG 4.14Å; Y170-R172 HydrophobicContact CE2-CG 4.13Å; Y170-I508 HydrophobicContact CD1-CB 4.25Å; Y170-I508 HydrophobicContact CD1-CG2 4.45Å; Y170-I508 HydrophobicContact CE1-CB 3.78Å; Y170-I508 HydrophobicContact CE1-CG2 3.63Å; Y170-I508 HydrophobicContact CE2-CB 4.11Å; Y170-I508 HydrophobicContact CE2-CD1 3.7Å; Y170-I508 HydrophobicContact CE2-CG1 4.36Å; Y170-I508 PolarHBondContact N-O 3.21Å; Y170-I508 PolarHBondContact O-N 3.26Å; Y170-I508 WeakPolarHBondContact OH-CD1 3.36Å
171	T	98.9	Very high	98.8	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.3	176.2	63	0	0	0	0	112.1	K159 I161 V505 K506	K159-T171 PolarHBondContact N-OG1 3.43Å; K159-T171 PolarHBondContact O-N 3.25Å; I161-T171 HydrophobicContact CD1-CG2 3.85Å; T171-V505 HydrophobicContact CG2-CG1 4.02Å; T171-K506 CarbonylContact C-O 3.52Å; T171-K506 VanDerWaalsContact CA-O 3.31Å; T171-K506 WeakPolarHBondContact CA-O 3.29Å
172	R	98.9	Very high	98.8	Very high	121 Å²	121	46.4 Å²	46.4	46%	0.457	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.9	163.6	-67.9	169.7	57	80.4	2.9	108.5	Y170 E174 K506 I508	Y170-R172 HydrophobicContact CE2-CG 4.13Å; R172-E174 HydrophobicContact CB-CG 4.08Å; R172-E174 IonicContact CZ-OE1 3.33Å; R172-E174 IonicContact NE-OE1 3.92Å; R172-E174 PolarHBondContact NE-OE1 3.38Å; R172-E174 IonicContact NH2-OE1 2.81Å; R172-E174 PolarHBondContact NH2-OE1 2.96Å; R172-K506 HydrophobicContact CB-CB 4.39Å; R172-K506 PolarHBondContact N-O 2.98Å; R172-K506 PolarHBondContact O-N 3.35Å; R172-I508 HydrophobicContact CG-CD1 4.11Å
173	H	98.9	Very high	98.8	Very high	53 Å²	53	41.1 Å²	41.1	25%	0.245	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	97.1	166	-72.8	-177.2	0	0	0	107.5	Y156 H157 T503	Y156-H173 HydrophobicContact CD1-CB 4.37Å; Y156-H173 AromaticContact CD1-ND1 3.4Å; Y156-H173 WeakPolarHBondContact CD1-ND1 3.42Å; Y156-H173 AromaticContact CE1-CE1 3.89Å; Y156-H173 AromaticContact CE1-ND1 3.4Å; Y156-H173 WeakPolarHBondContact CE1-ND1 3.2Å; Y156-H173 PolarHBondContact O-ND1 3.26Å; H157-H173 PolarHBondContact O-CE1 3.48Å; H157-H173 PolarHBondContact O-ND1 3.09Å; H157-H173 VanDerWaalsContact O-ND1 3.07Å; H173-T503 HydrophobicContact CB-CG2 3.45Å; H173-T503 VanDerWaalsContact CB-CG2 3.45Å
174	E	98.9	Very high	98.8	Very high	31 Å²	31	39 Å²	39	15%	0.145	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	155.2	177.2	-61.7	-169.3	169.8	0	0	109.8	R172 T503 E504 K506	R172-E174 HydrophobicContact CB-CG 4.08Å; R172-E174 IonicContact CZ-OE1 3.33Å; R172-E174 IonicContact NE-OE1 3.92Å; R172-E174 PolarHBondContact NE-OE1 3.38Å; R172-E174 IonicContact NH2-OE1 2.81Å; R172-E174 PolarHBondContact NH2-OE1 2.96Å; E174-T503 CarbonylContact O-C 3.58Å; E174-T503 WeakPolarHBondContact O-CA 3.42Å; E174-E504 PolarHBondContact N-O 3.43Å; E174-E504 PolarHBondContact O-N 3.29Å; E174-K506 IonicContact OE1-NZ 2.84Å; E174-K506 PolarHBondContact OE1-NZ 2.85Å; E174-K506 WeakPolarHBondContact OE2-CE 3.33Å; E174-K506 IonicContact OE2-NZ 2.71Å; E174-K506 PolarHBondContact OE2-NZ 3.46Å
175	P	98.9	Very high	98.9	Very high	25 Å²	25	33.7 Å²	33.7	16%	0.162	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	143	169	-2.4	12.1	0	0	0	109.9	F87 G177 T202 G203 N204	F87-P175 HydrophobicContact CE2-CB 3.74Å; F87-P175 HydrophobicContact CE2-CG 3.83Å; F87-P175 HydrophobicContact CZ-CB 3.93Å; F87-P175 HydrophobicContact CZ-CG 4.07Å; P175-G177 VanDerWaalsContact C-N 3.28Å; P175-G177 PolarHBondContact O-N 2.76Å; P175-T202 WeakPolarHBondContact CB-O 3.41Å; P175-T202 VanDerWaalsContact CG-O 3.26Å; P175-T202 WeakPolarHBondContact CG-O 3.21Å; P175-G203 WeakPolarHBondContact CB-O 3.26Å; P175-G203 WeakPolarHBondContact CG-O 3.21Å; P175-N204 HydrophobicContact CB-CB 4.47Å; P175-N204 VanDerWaalsContact CB-OD1 3.32Å; P175-N204 WeakPolarHBondContact CB-OD1 3.04Å
176	V	98.8	Very high	98.9	Very high	13 Å²	13	32 Å²	32	8%	0.079	15%	0.147	C	C	.	.			trans	-61.7	-33	176.9	66.5	0	0	0	0	113.3	C179 N204 D256 K257 Y502	V176-C179 WeakPolarHBondContact CG1-SG 3.49Å; V176-N204 WeakPolarHBondContact CG1-OD1 3.42Å; V176-N204 PolarHBondContact N-OD1 3.43Å; V176-D256 HydrophobicContact CG2-CB 4.42Å; V176-K257 HydrophobicContact CG1-CB 3.95Å; V176-K257 HydrophobicContact CG1-CD 3.94Å; V176-K257 HydrophobicContact CG2-CB 4.07Å; V176-Y502 PolarHBondContact N-O 2.94Å
177	G	98.9	Very high	98.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.131	C	C	.	.			trans	127.3	-128.4	175.1	0	0	0	0	0	113.9	P175 C179 N204 V205 D256	P175-G177 VanDerWaalsContact C-N 3.28Å; P175-G177 PolarHBondContact O-N 2.76Å; G177-C179 PolarHBondContact O-N 3.15Å; G177-N204 PolarHBondContact N-OD1 3.46Å; G177-N204 PolarHBondContact O-OD1 3.44Å; G177-V205 PolarHBondContact O-N 3.19Å; G177-D256 WeakPolarHBondContact CA-OD2 3.35Å
178	V	98.9	Very high	98.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	111	177.6	-178.8	0	0	0	0	109.4	V80 A83 R84 V205 V207 V255 D256 K257	V80-V178 HydrophobicContact CG1-CG1 4.38Å; A83-V178 HydrophobicContact CB-CG1 3.99Å; A83-V178 HydrophobicContact CB-CG2 4.13Å; R84-V178 HydrophobicContact CB-CG2 4.28Å; V178-V205 HydrophobicContact CB-CG2 4.3Å; V178-V205 HydrophobicContact CG2-CG2 3.79Å; V178-V207 HydrophobicContact CG1-CG2 4.27Å; V178-V255 HydrophobicContact CG1-CG2 4.21Å; V178-D256 PolarHBondContact N-OD2 2.89Å; V178-D256 PolarHBondContact O-N 3.06Å; V178-K257 PolarHBondContact O-N 3.12Å
179	C	99	Very high	98.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.3	-179.7	-64.7	0	0	0	0	110.9	V176 G177 Q181 V205 V206 V207 K257 Y502	V176-C179 WeakPolarHBondContact CG1-SG 3.49Å; G177-C179 PolarHBondContact O-N 3.15Å; C179-Q181 HydrophobicContact CB-CG 4.37Å; C179-V205 PolarHBondContact N-O 3.29Å; C179-V206 HydrophobicContact CB-CG2 4.49Å; C179-V206 WeakPolarHBondContact O-CA 3.02Å; C179-V207 PolarHBondContact O-N 3.4Å; C179-K257 CarbonylContact C-O 3.58Å; C179-K257 WeakPolarHBondContact CA-O 3.35Å; C179-Y502 HydrophobicContact CB-CE1 4.31Å
180	G	98.9	Very high	98.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.7	164.3	0	0	0	0	0	110.5	V207 I249 K257 V258 A259	G180-V207 CarbonylContact C-O 3.45Å; G180-V207 WeakPolarHBondContact CA-O 3.4Å; G180-I249 VanDerWaalsContact CA-CG2 3.46Å; G180-K257 PolarHBondContact N-O 3.03Å; G180-V258 CarbonylContact O-C 3.6Å; G180-V258 VanDerWaalsContact O-CA 3.25Å; G180-V258 WeakPolarHBondContact O-CA 3.21Å; G180-A259 PolarHBondContact O-N 3.39Å
181	Q	98.9	Very high	98.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117	-177.8	-64.4	-176.1	-34.7	0	0	110	C179 K195 V206 V207 M208 K209 A259 Y502	C179-Q181 HydrophobicContact CB-CG 4.37Å; Q181-K195 HydrophobicContact CB-CB 4.38Å; Q181-K195 HydrophobicContact CB-CD 4.49Å; Q181-K195 HydrophobicContact CB-CG 4.48Å; Q181-K195 HydrophobicContact CG-CB 4.39Å; Q181-K195 HydrophobicContact CG-CD 4.48Å; Q181-K195 PolarHBondContact NE2-O 2.9Å; Q181-V206 HydrophobicContact CB-CG1 4.31Å; Q181-V206 HydrophobicContact CG-CG1 4.15Å; Q181-V207 PolarHBondContact N-O 3Å; Q181-M208 HydrophobicContact CB-CE 4.07Å; Q181-M208 CarbonylContact O-C 3.44Å; Q181-M208 VanDerWaalsContact O-CA 3.23Å; Q181-M208 WeakPolarHBondContact O-CA 3.42Å; Q181-K209 PolarHBondContact O-N 3.11Å; Q181-A259 WeakPolarHBondContact CA-O 3.26Å; Q181-Y502 PolarHBondContact NE2-OH 2.89Å
182	I	98.9	Very high	98.9	Very high	11 Å²	11	17.1 Å²	17.1	6%	0.056	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.4	-175.6	-56.9	168.9	0	0	0	107.9	K209 G246 I249 V258 A259 F260 T261 I270	I182-K209 HydrophobicContact CG1-CB 4.27Å; I182-K209 HydrophobicContact CG2-CD 4.22Å; I182-G246 WeakPolarHBondContact CD1-O 3.38Å; I182-I249 HydrophobicContact CD1-CB 4.44Å; I182-I249 HydrophobicContact CD1-CG2 4.38Å; I182-I249 HydrophobicContact CG1-CG2 4.49Å; I182-V258 HydrophobicContact CD1-CG2 4.26Å; I182-A259 PolarHBondContact N-O 2.87Å; I182-F260 HydrophobicContact CB-CD2 3.87Å; I182-F260 HydrophobicContact CG2-CD2 3.72Å; I182-F260 HydrophobicContact CG2-CE2 3.99Å; I182-T261 PolarHBondContact O-N 3.48Å; I182-I270 HydrophobicContact CD1-CD1 3.75Å
183	I	98.9	Very high	98.9	Very high	7 Å²	7	11.6 Å²	11.6	4%	0.036	6%	0.059	C	C	.	.			trans	-118.8	151.6	-171	62.8	171.2	0	0	0	113	M191 Q192 K195 M208 K209 V210 A211	I183-M191 HydrophobicContact CB-CB 4.07Å; I183-M191 HydrophobicContact CD1-CB 4.45Å; I183-M191 HydrophobicContact CG2-CB 4.22Å; I183-Q192 HydrophobicContact CD1-CB 4.02Å; I183-K195 HydrophobicContact CG2-CG 3.62Å; I183-M208 HydrophobicContact CD1-SD 4.03Å; I183-K209 PolarHBondContact N-O 3.15Å; I183-K209 VanDerWaalsContact N-O 3.15Å; I183-V210 HydrophobicContact CD1-CG1 4.15Å; I183-V210 HydrophobicContact CG1-CG1 4.43Å; I183-A211 PolarHBondContact O-N 3.28Å
184	P	98.8	Very high	98.9	Very high	19 Å²	19	9.7 Å²	9.7	12%	0.123	5%	0.05	C	C	.	.			trans	-85.4	-179.6	178.9	39.4	-39.7	0	0	0	111.2	N186 M191 T261	P184-N186 VanDerWaalsContact CG-OD1 3.24Å; P184-N186 WeakPolarHBondContact CG-OD1 3.33Å; P184-M191 HydrophobicContact CG-CG 3.93Å; P184-M191 HydrophobicContact CG-SD 4.45Å; P184-T261 WeakPolarHBondContact CD-O 3.44Å; P184-T261 HydrophobicContact CG-CG2 3.85Å
185	W	98.8	Very high	98.9	Very high	28 Å²	28	8.2 Å²	8.2	11%	0.106	4%	0.043	C	C	.	.	S	Bend	trans	-96.5	-10.2	-174.7	49	-104.3	0	0	0	114.9	N127 P188 A211 Q213 T214 Q317 V362 Q366 F418	N127-W185 PolarHBondContact ND2-O 2.85Å; W185-P188 VanDerWaalsContact O-CD 3.24Å; W185-P188 WeakPolarHBondContact O-CD 3.17Å; W185-P188 VanDerWaalsContact O-CG 3.3Å; W185-P188 WeakPolarHBondContact O-CG 3.21Å; W185-A211 HydrophobicContact CB-CB 3.65Å; W185-A211 HydrophobicContact CG-CB 4.44Å; W185-Q213 HydrophobicContact CB-CB 3.96Å; W185-Q213 HydrophobicContact CG-CB 4.28Å; W185-Q213 HydrophobicContact CG-CG 4.42Å; W185-T214 VanDerWaalsContact CA-OG1 3.24Å; W185-T214 WeakPolarHBondContact CA-OG1 3.32Å; W185-T214 HydrophobicContact CB-CG2 3.86Å; W185-T214 WeakPolarHBondContact CB-OG1 3.34Å; W185-Q317 HydrophobicContact CH2-CB 3.86Å; W185-Q317 HydrophobicContact CH2-CG 3.84Å; W185-Q317 HydrophobicContact CZ3-CB 3.73Å; W185-Q317 VanDerWaalsContact CZ3-CD 3.4Å; W185-Q317 HydrophobicContact CZ3-CG 3.9Å; W185-V362 HydrophobicContact CB-CG2 4.31Å; W185-V362 HydrophobicContact CD2-CB 4.06Å; W185-V362 HydrophobicContact CD2-CG1 3.66Å; W185-V362 HydrophobicContact CD2-CG2 3.98Å; W185-V362 HydrophobicContact CE3-CB 3.5Å; W185-V362 VanDerWaalsContact CE3-CB 3.5Å; W185-V362 HydrophobicContact CE3-CG1 3.54Å; W185-V362 HydrophobicContact CE3-CG2 3.59Å; W185-V362 HydrophobicContact CG-CG1 4.41Å; W185-V362 HydrophobicContact CG-CG2 4.28Å; W185-V362 HydrophobicContact CH2-CB 4.13Å; W185-V362 HydrophobicContact CH2-CG1 3.59Å; W185-V362 HydrophobicContact CZ2-CG1 3.72Å; W185-V362 HydrophobicContact CZ3-CB 3.56Å; W185-V362 HydrophobicContact CZ3-CG1 3.52Å; W185-V362 HydrophobicContact CZ3-CG2 4.18Å; W185-Q366 HydrophobicContact CH2-CG 4.11Å; W185-Q366 HydrophobicContact CZ2-CG 3.71Å; W185-F418 AromaticContact CH2-CD1 3.47Å; W185-F418 HydrophobicContact CH2-CD1 3.47Å; W185-F418 VanDerWaalsContact CH2-CD1 3.47Å; W185-F418 AromaticContact CH2-CE1 3.34Å; W185-F418 HydrophobicContact CH2-CE1 3.34Å; W185-F418 AromaticContact CZ2-CD1 3.71Å; W185-F418 HydrophobicContact CZ2-CD1 3.71Å; W185-F418 AromaticContact CZ2-CE1 3.57Å; W185-F418 HydrophobicContact CZ2-CE1 3.57Å; W185-F418 HydrophobicContact CZ3-CD1 4.48Å; W185-F418 HydrophobicContact CZ3-CE1 4.03Å
186	N	98.6	Very high	98.9	Very high	7 Å²	7	7.1 Å²	7.1	4%	0.037	4%	0.036	C	C	.	.	S	Bend	trans	-76.8	-32.6	-167.9	63.5	-35	0	0	0	113.8	K129 P184 N314 Q317 F418	K129-N186 PolarHBondContact NZ-O 2.9Å; P184-N186 VanDerWaalsContact CG-OD1 3.24Å; P184-N186 WeakPolarHBondContact CG-OD1 3.33Å; N186-N314 PolarHBondContact O-ND2 2.96Å; N186-Q317 HydrophobicContact CB-CB 4.28Å; N186-Q317 VanDerWaalsContact CB-O 3.29Å; N186-Q317 WeakPolarHBondContact CB-O 3.18Å; N186-Q317 PolarHBondContact ND2-O 3.41Å; N186-F418 HydrophobicContact CB-CE1 4.08Å; N186-F418 HydrophobicContact CB-CZ 4.12Å
187	F	98.8	Very high	98.9	Very high	15 Å²	15	6.5 Å²	6.5	7%	0.066	3%	0.032	C	C	.	.	S	Bend	trans	-133.5	71.5	169	-56.3	-90.7	0	0	0	110.2	D138 L189 L190 M191 F313 N314 C318	D138-F187 WeakPolarHBondContact OD2-CD1 3.29Å; F187-L189 PolarHBondContact O-N 3.36Å; F187-L190 HydrophobicContact CB-CB 3.85Å; F187-L190 HydrophobicContact CB-CD2 4.39Å; F187-L190 PolarHBondContact O-N 3.5Å; F187-M191 HydrophobicContact CB-CG 4.25Å; F187-M191 WeakPolarHBondContact O-CB 3.37Å; F187-M191 VanDerWaalsContact O-CG 3.24Å; F187-M191 WeakPolarHBondContact O-CG 3.39Å; F187-M191 PolarHBondContact O-N 3.25Å; F187-F313 AromaticContact CE1-CE1 3.64Å; F187-F313 HydrophobicContact CE1-CE1 3.64Å; F187-F313 AromaticContact CE1-CZ 3.87Å; F187-F313 HydrophobicContact CE1-CZ 3.87Å; F187-F313 HydrophobicContact CZ-CD1 4.23Å; F187-F313 AromaticContact CZ-CE1 3.55Å; F187-F313 HydrophobicContact CZ-CE1 3.55Å; F187-F313 HydrophobicContact CZ-CZ 4.25Å; F187-N314 HydrophobicContact CE1-CB 3.95Å; F187-N314 HydrophobicContact CZ-CB 3.64Å; F187-N314 VanDerWaalsContact CZ-ND2 3.35Å; F187-N314 WeakPolarHBondContact CZ-ND2 3.43Å; F187-C318 HydrophobicContact CE2-CB 4.44Å
188	P	98.9	Very high	98.9	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.013	3%	0.033	C	C	.	.	H	α-helix	trans	-51.6	-54.7	-168.5	-25	30.4	0	0	0	113.7	E123 N127 W185 Q192 T214	E123-P188 WeakPolarHBondContact OE1-CB 3.47Å; E123-P188 WeakPolarHBondContact OE1-CD 3.41Å; N127-P188 HydrophobicContact CB-CG 4.49Å; W185-P188 VanDerWaalsContact O-CD 3.24Å; W185-P188 WeakPolarHBondContact O-CD 3.17Å; W185-P188 VanDerWaalsContact O-CG 3.3Å; W185-P188 WeakPolarHBondContact O-CG 3.21Å; P188-Q192 WeakPolarHBondContact O-CB 3.34Å; P188-Q192 PolarHBondContact O-N 3.46Å; P188-Q192 VanDerWaalsContact O-N 3.12Å; P188-T214 HydrophobicContact CG-CG2 3.95Å; P188-T214 WeakPolarHBondContact CG-OG1 3.35Å
189	L	98.9	Very high	98.9	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-68.5	-41.8	-179.7	-76.5	169.9	0	0	0	112.5	L119 E123 L139 V142 F187 Q192 A193 T217 V221	L119-L189 HydrophobicContact CB-CD1 4.14Å; L119-L189 HydrophobicContact CD2-CD1 4.29Å; L119-L189 HydrophobicContact CD2-CD2 4.26Å; E123-L189 HydrophobicContact CB-CD1 4.34Å; E123-L189 HydrophobicContact CG-CD1 4.42Å; E123-L189 PolarHBondContact OE1-N 2.81Å; E123-L189 WeakPolarHBondContact OE2-CG 3.46Å; L139-L189 HydrophobicContact CD1-CD1 4.18Å; L139-L189 HydrophobicContact CD2-CD1 3.56Å; V142-L189 HydrophobicContact CG2-CB 3.85Å; F187-L189 PolarHBondContact O-N 3.36Å; L189-Q192 WeakPolarHBondContact O-CB 3.31Å; L189-Q192 PolarHBondContact O-N 3Å; L189-A193 PolarHBondContact O-N 2.98Å; L189-T217 HydrophobicContact CD1-CG2 4.24Å; L189-T217 HydrophobicContact CG-CG2 4.42Å; L189-V221 HydrophobicContact CD2-CG2 3.46Å; L189-V221 VanDerWaalsContact CD2-CG2 3.46Å
190	L	98.9	Very high	98.9	Very high	8 Å²	8	6.5 Å²	6.5	4%	0.042	3%	0.032	C	C	.	.	H	α-helix	trans	-66.1	-42.7	-178.1	-175.1	59.4	0	0	0	111.7	M141 V142 F187 Q192 A193 W194	M141-L190 HydrophobicContact CB-CD1 3.56Å; M141-L190 HydrophobicContact CB-CD2 4.35Å; M141-L190 HydrophobicContact CE-CD1 4.45Å; M141-L190 HydrophobicContact CE-CD2 3.78Å; M141-L190 HydrophobicContact SD-CD2 4.16Å; V142-L190 HydrophobicContact CG2-CB 4.26Å; V142-L190 HydrophobicContact CG2-CD1 4.26Å; F187-L190 HydrophobicContact CB-CB 3.85Å; F187-L190 HydrophobicContact CB-CD2 4.39Å; F187-L190 PolarHBondContact O-N 3.5Å; L190-Q192 VanDerWaalsContact C-N 3.34Å; L190-A193 PolarHBondContact O-N 2.95Å; L190-W194 VanDerWaalsContact CD1-NE1 3.34Å; L190-W194 PolarHBondContact O-N 2.89Å
191	M	98.9	Very high	98.9	Very high	13 Å²	13	6.6 Å²	6.6	6%	0.064	3%	0.033	C	C	.	.	H	α-helix	trans	-66.3	-37.5	176.7	-66.9	-62.4	99	0	0	111.5	I183 P184 F187 W194 K195 T261	I183-M191 HydrophobicContact CB-CB 4.07Å; I183-M191 HydrophobicContact CD1-CB 4.45Å; I183-M191 HydrophobicContact CG2-CB 4.22Å; P184-M191 HydrophobicContact CG-CG 3.93Å; P184-M191 HydrophobicContact CG-SD 4.45Å; F187-M191 HydrophobicContact CB-CG 4.25Å; F187-M191 WeakPolarHBondContact O-CB 3.37Å; F187-M191 VanDerWaalsContact O-CG 3.24Å; F187-M191 WeakPolarHBondContact O-CG 3.39Å; F187-M191 PolarHBondContact O-N 3.25Å; M191-W194 HydrophobicContact CE-CD2 3.73Å; M191-W194 HydrophobicContact CE-CE3 3.79Å; M191-W194 HydrophobicContact CE-CG 4.17Å; M191-W194 HydrophobicContact CE-CH2 4.37Å; M191-W194 HydrophobicContact CE-CZ2 4.31Å; M191-W194 HydrophobicContact CE-CZ3 4.12Å; M191-W194 PolarHBondContact O-N 3.25Å; M191-K195 VanDerWaalsContact O-CG 3.24Å; M191-K195 WeakPolarHBondContact O-CG 3.42Å; M191-K195 PolarHBondContact O-N 2.87Å; M191-T261 HydrophobicContact SD-CG2 4.08Å
192	Q	98.9	Very high	98.9	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.019	4%	0.038	C	C	.	.	H	α-helix	trans	-59.4	-46.3	170.2	179.7	179.5	49.8	0	0	111.1	I183 P188 L189 L190 K195 L196 M208 A218 V221	I183-Q192 HydrophobicContact CD1-CB 4.02Å; P188-Q192 WeakPolarHBondContact O-CB 3.34Å; P188-Q192 PolarHBondContact O-N 3.46Å; P188-Q192 VanDerWaalsContact O-N 3.12Å; L189-Q192 WeakPolarHBondContact O-CB 3.31Å; L189-Q192 PolarHBondContact O-N 3Å; L190-Q192 VanDerWaalsContact C-N 3.34Å; Q192-K195 PolarHBondContact O-N 3.49Å; Q192-L196 HydrophobicContact CG-CD1 3.63Å; Q192-L196 HydrophobicContact CG-CG 4.08Å; Q192-L196 WeakPolarHBondContact O-CB 3.2Å; Q192-L196 WeakPolarHBondContact O-CG 3.44Å; Q192-L196 PolarHBondContact O-N 3.01Å; Q192-M208 HydrophobicContact CB-SD 4.31Å; Q192-M208 HydrophobicContact CG-CE 4.15Å; Q192-M208 HydrophobicContact CG-SD 3.8Å; Q192-A218 PolarHBondContact NE2-O 2.86Å; Q192-A218 VanDerWaalsContact NE2-O 3.1Å; Q192-V221 VanDerWaalsContact OE1-CB 3.29Å
193	A	98.9	Very high	98.9	Very high	4 Å²	4	7 Å²	7	3%	0.033	4%	0.036	C	C	.	.	H	α-helix	trans	-64.6	-40.7	179.6	0	0	0	0	0	113.2	V142 C145 L146 L189 L190 K195 G197	V142-A193 HydrophobicContact CB-CB 4.29Å; V142-A193 HydrophobicContact CG1-CB 4.01Å; V142-A193 HydrophobicContact CG2-CB 4.15Å; C145-A193 HydrophobicContact CB-CB 4.4Å; L146-A193 HydrophobicContact CD2-CB 4.23Å; L146-A193 HydrophobicContact CG-CB 4.17Å; L189-A193 PolarHBondContact O-N 2.98Å; L190-A193 PolarHBondContact O-N 2.95Å; A193-K195 PolarHBondContact O-N 3.35Å; A193-G197 PolarHBondContact O-N 3.28Å
194	W	98.9	Very high	98.9	Very high	14 Å²	14	6.7 Å²	6.7	5%	0.053	4%	0.035	C	C	.	.	H	α-helix	trans	-61.6	-31.5	176.2	-79.4	29.5	0	0	0	112.6	L190 M191 P198 F476 F482 E493 L494	L190-W194 VanDerWaalsContact CD1-NE1 3.34Å; L190-W194 PolarHBondContact O-N 2.89Å; M191-W194 HydrophobicContact CE-CD2 3.73Å; M191-W194 HydrophobicContact CE-CE3 3.79Å; M191-W194 HydrophobicContact CE-CG 4.17Å; M191-W194 HydrophobicContact CE-CH2 4.37Å; M191-W194 HydrophobicContact CE-CZ2 4.31Å; M191-W194 HydrophobicContact CE-CZ3 4.12Å; M191-W194 PolarHBondContact O-N 3.25Å; W194-P198 WeakPolarHBondContact O-CD 3.28Å; W194-P198 WeakPolarHBondContact O-CG 3.39Å; W194-F476 AromaticContact CH2-CD1 3.89Å; W194-F476 HydrophobicContact CH2-CD1 3.89Å; W194-F476 AromaticContact CH2-CE1 3.88Å; W194-F476 HydrophobicContact CH2-CE1 3.88Å; W194-F476 AromaticContact CZ2-CD1 3.99Å; W194-F476 HydrophobicContact CZ2-CD1 3.99Å; W194-F476 HydrophobicContact CZ2-CE1 4.37Å; W194-F482 HydrophobicContact CH2-CB 4.26Å; W194-F482 AromaticContact CH2-CD1 3.9Å; W194-F482 HydrophobicContact CH2-CD1 3.9Å; W194-F482 HydrophobicContact CH2-CE1 4.48Å; W194-F482 HydrophobicContact CH2-CG 4.15Å; W194-F482 HydrophobicContact CZ3-CB 4.35Å; W194-F482 AromaticContact CZ3-CD1 3.68Å; W194-F482 HydrophobicContact CZ3-CD1 3.68Å; W194-F482 HydrophobicContact CZ3-CE1 4.33Å; W194-F482 HydrophobicContact CZ3-CG 4.28Å; W194-E493 HydrophobicContact CE3-CB 4.22Å; W194-L494 HydrophobicContact CD2-CD1 4.35Å; W194-L494 HydrophobicContact CD2-CD2 3.86Å; W194-L494 HydrophobicContact CD2-CG 4.07Å; W194-L494 HydrophobicContact CE3-CG 4.31Å; W194-L494 HydrophobicContact CG-CD2 3.92Å; W194-L494 HydrophobicContact CH2-CD1 3.86Å; W194-L494 HydrophobicContact CH2-CG 4.39Å; W194-L494 HydrophobicContact CZ2-CD1 3.52Å; W194-L494 HydrophobicContact CZ2-CD2 4.44Å; W194-L494 HydrophobicContact CZ2-CG 4.17Å; W194-L494 HydrophobicContact CZ3-CD1 4.4Å; W194-L494 HydrophobicContact CZ3-CG 4.46Å
195	K	98.9	Very high	98.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-84.5	-48.5	178.5	-68.2	-65.3	179.8	-66.5	0	112.4	Q181 I183 M191 Q192 A193 A199 M208 A259 T261 E493	Q181-K195 HydrophobicContact CB-CB 4.38Å; Q181-K195 HydrophobicContact CB-CD 4.49Å; Q181-K195 HydrophobicContact CB-CG 4.48Å; Q181-K195 HydrophobicContact CG-CB 4.39Å; Q181-K195 HydrophobicContact CG-CD 4.48Å; Q181-K195 PolarHBondContact NE2-O 2.9Å; I183-K195 HydrophobicContact CG2-CG 3.62Å; M191-K195 VanDerWaalsContact O-CG 3.24Å; M191-K195 WeakPolarHBondContact O-CG 3.42Å; M191-K195 PolarHBondContact O-N 2.87Å; Q192-K195 PolarHBondContact O-N 3.49Å; A193-K195 PolarHBondContact O-N 3.35Å; K195-A199 VanDerWaalsContact O-CB 3.3Å; K195-A199 WeakPolarHBondContact O-CB 3.44Å; K195-M208 HydrophobicContact CB-CE 3.76Å; K195-M208 HydrophobicContact CG-CE 4.5Å; K195-A259 HydrophobicContact CD-CB 4.05Å; K195-T261 WeakPolarHBondContact CE-OG1 3.14Å; K195-T261 PolarHBondContact NZ-OG1 2.64Å; K195-E493 VanDerWaalsContact CD-OE1 3.25Å; K195-E493 WeakPolarHBondContact CD-OE1 3.28Å; K195-E493 WeakPolarHBondContact CE-OE1 3.43Å; K195-E493 IonicContact NZ-OE1 2.87Å; K195-E493 PolarHBondContact NZ-OE1 2.77Å; K195-E493 IonicContact NZ-OE2 3.56Å; K195-E493 PolarHBondContact NZ-OE2 3.25Å
196	L	98.9	Very high	98.9	Very high	2 Å²	2	4.4 Å²	4.4	1%	0.01	2%	0.024	C	C	.	.	H	α-helix	trans	-69.7	-41.8	-176.6	-68	-176.1	0	0	0	112.2	Q192 A199 L200 V206 M208 I225 V235	Q192-L196 HydrophobicContact CG-CD1 3.63Å; Q192-L196 HydrophobicContact CG-CG 4.08Å; Q192-L196 WeakPolarHBondContact O-CB 3.2Å; Q192-L196 WeakPolarHBondContact O-CG 3.44Å; Q192-L196 PolarHBondContact O-N 3.01Å; L196-A199 PolarHBondContact O-N 3.1Å; L196-L200 HydrophobicContact CB-CD1 4.03Å; L196-L200 HydrophobicContact CD2-CD1 4.44Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 3.49Å; L196-V206 HydrophobicContact CD2-CB 4.34Å; L196-V206 HydrophobicContact CD2-CG1 4.05Å; L196-V206 HydrophobicContact CD2-CG2 4.16Å; L196-M208 HydrophobicContact CD2-CE 3.82Å; L196-M208 HydrophobicContact CG-CE 3.91Å; L196-I225 HydrophobicContact CD1-CD1 3.84Å; L196-V235 HydrophobicContact CD2-CG1 4.08Å; L196-V235 HydrophobicContact CD2-CG2 4.24Å
197	G	98.9	Very high	98.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-48.7	-65.6	-178.4	0	0	0	0	0	113.6	A193 A199 A201	A193-G197 PolarHBondContact O-N 3.28Å; G197-A199 PolarHBondContact O-N 3.43Å; G197-A201 VanDerWaalsContact O-CB 3.23Å; G197-A201 WeakPolarHBondContact O-CB 3.33Å; G197-A201 PolarHBondContact O-N 3.05Å
198	P	98.9	Very high	98.9	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.006	2%	0.019	C	C	.	.	H	α-helix	trans	-66.9	-37.9	-177.8	24.1	-30.4	0	0	0	112.5	Y149 W194 T202 L499 Y502	Y149-P198 HydrophobicContact CD1-CB 4.03Å; Y149-P198 HydrophobicContact CE1-CB 3.62Å; Y149-P198 HydrophobicContact CE1-CG 4.37Å; Y149-P198 HydrophobicContact CE2-CB 4.2Å; Y149-P198 HydrophobicContact CE2-CG 4.07Å; Y149-P198 HydrophobicContact CG-CB 4.47Å; W194-P198 WeakPolarHBondContact O-CD 3.28Å; W194-P198 WeakPolarHBondContact O-CG 3.39Å; P198-T202 WeakPolarHBondContact O-CB 3.23Å; P198-T202 WeakPolarHBondContact O-CG2 3.43Å; P198-T202 PolarHBondContact O-N 3.2Å; P198-T202 PolarHBondContact O-OG1 2.88Å; P198-L499 HydrophobicContact CB-CD2 4.24Å; P198-Y502 HydrophobicContact CB-CD2 3.8Å; P198-Y502 HydrophobicContact CB-CE2 3.98Å; P198-Y502 HydrophobicContact CG-CD2 4.08Å; P198-Y502 HydrophobicContact CG-CE2 3.71Å
199	A	98.9	Very high	98.9	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.5	-47.8	-178.9	0	0	0	0	0	111.9	K195 L196 G197 T202 G203 N204 V206 Y502	K195-A199 VanDerWaalsContact O-CB 3.3Å; K195-A199 WeakPolarHBondContact O-CB 3.44Å; L196-A199 PolarHBondContact O-N 3.1Å; G197-A199 PolarHBondContact O-N 3.43Å; A199-T202 PolarHBondContact O-OG1 2.8Å; A199-G203 PolarHBondContact O-N 3.01Å; A199-N204 HydrophobicContact CB-CB 4.36Å; A199-N204 VanDerWaalsContact O-CB 3.28Å; A199-N204 WeakPolarHBondContact O-CB 3.38Å; A199-N204 PolarHBondContact O-N 2.92Å; A199-N204 PolarHBondContact O-ND2 2.89Å; A199-V206 HydrophobicContact CB-CG2 4.02Å; A199-Y502 HydrophobicContact CB-CD1 3.72Å; A199-Y502 HydrophobicContact CB-CE1 3.66Å; A199-Y502 HydrophobicContact CB-CG 4.35Å
200	L	98.9	Very high	98.9	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-73.9	-36.9	-178.7	-62.8	177.3	0	0	0	111.9	W93 R101 L105 L196 T202 G203 F230 V234 V235	W93-L200 HydrophobicContact CZ2-CB 4.47Å; W93-L200 HydrophobicContact CZ2-CD2 4.13Å; R101-L200 WeakPolarHBondContact CD-O 3.4Å; L105-L200 HydrophobicContact CD1-CB 4.32Å; L105-L200 HydrophobicContact CD2-CB 4.08Å; 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 4.44Å; L196-L200 VanDerWaalsContact O-CB 3.27Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 3.49Å; L200-T202 VanDerWaalsContact C-N 3.26Å; L200-T202 PolarHBondContact O-N 3.3Å; L200-G203 PolarHBondContact O-N 3.25Å; L200-F230 HydrophobicContact CB-CE1 4.46Å; L200-F230 HydrophobicContact CD1-CE1 3.83Å; L200-F230 HydrophobicContact CD1-CZ 4.09Å; L200-F230 HydrophobicContact CD2-CE1 4.46Å; L200-F230 HydrophobicContact CG-CE1 4.49Å; L200-V234 HydrophobicContact CD2-CG1 3.64Å; L200-V235 HydrophobicContact CD1-CG2 4.05Å; L200-V235 HydrophobicContact CD2-CG2 3.84Å
201	A	98.9	Very high	98.9	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.008	2%	0.019	C	C	.	.	H	α-helix	trans	-58.3	-42.3	176.2	0	0	0	0	0	111.5	R101 L105 Y149 A153 G197 G203	R101-A201 PolarHBondContact NE-O 3.32Å; R101-A201 VanDerWaalsContact NE-O 3.08Å; R101-A201 PolarHBondContact NH2-O 2.94Å; L105-A201 HydrophobicContact CD1-CB 3.92Å; Y149-A201 VanDerWaalsContact O-CB 3.27Å; Y149-A201 WeakPolarHBondContact O-CB 3.35Å; A153-A201 WeakPolarHBondContact CA-O 3.4Å; A153-A201 HydrophobicContact CB-CB 4.2Å; G197-A201 VanDerWaalsContact O-CB 3.23Å; G197-A201 WeakPolarHBondContact O-CB 3.33Å; G197-A201 PolarHBondContact O-N 3.05Å; A201-G203 VanDerWaalsContact C-N 3.27Å; A201-G203 PolarHBondContact O-N 2.96Å
202	T	98.9	Very high	98.9	Very high	17 Å²	17	4.9 Å²	4.9	10%	0.104	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.9	178.1	50.1	0	0	0	0	113.9	P175 P198 A199 L200 N204 L499 Y502	P175-T202 WeakPolarHBondContact CB-O 3.41Å; P175-T202 VanDerWaalsContact CG-O 3.26Å; P175-T202 WeakPolarHBondContact CG-O 3.21Å; P198-T202 WeakPolarHBondContact O-CB 3.23Å; P198-T202 WeakPolarHBondContact O-CG2 3.43Å; P198-T202 PolarHBondContact O-N 3.2Å; P198-T202 PolarHBondContact O-OG1 2.88Å; A199-T202 PolarHBondContact O-OG1 2.8Å; L200-T202 VanDerWaalsContact C-N 3.26Å; L200-T202 PolarHBondContact O-N 3.3Å; T202-N204 PolarHBondContact OG1-ND2 3.08Å; T202-L499 HydrophobicContact CG2-CB 4.21Å; T202-L499 HydrophobicContact CG2-CD2 3.86Å; T202-Y502 WeakPolarHBondContact OG1-CB 3.46Å
203	G	98.9	Very high	98.9	Very high	3 Å²	3	6.5 Å²	6.5	3%	0.031	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	20.5	173.9	0	0	0	0	0	115.1	W93 P175 A199 L200 A201	W93-G203 PolarHBondContact NE1-O 2.78Å; P175-G203 WeakPolarHBondContact CB-O 3.26Å; P175-G203 WeakPolarHBondContact CG-O 3.21Å; A199-G203 PolarHBondContact O-N 3.01Å; L200-G203 PolarHBondContact O-N 3.25Å; A201-G203 VanDerWaalsContact C-N 3.27Å; A201-G203 PolarHBondContact O-N 2.96Å
204	N	99	Very high	98.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.			trans	-76.4	170.1	173.5	-66.2	-77.6	0	0	0	111.8	W93 P175 V176 G177 A199 T202 Y502	W93-N204 PolarHBondContact NE1-O 3.16Å; P175-N204 HydrophobicContact CB-CB 4.47Å; P175-N204 VanDerWaalsContact CB-OD1 3.32Å; P175-N204 WeakPolarHBondContact CB-OD1 3.04Å; V176-N204 WeakPolarHBondContact CG1-OD1 3.42Å; V176-N204 PolarHBondContact N-OD1 3.43Å; G177-N204 PolarHBondContact N-OD1 3.46Å; G177-N204 PolarHBondContact O-OD1 3.44Å; A199-N204 HydrophobicContact CB-CB 4.36Å; A199-N204 VanDerWaalsContact O-CB 3.28Å; A199-N204 WeakPolarHBondContact O-CB 3.38Å; A199-N204 PolarHBondContact O-N 2.92Å; A199-N204 PolarHBondContact O-ND2 2.89Å; T202-N204 PolarHBondContact OG1-ND2 3.08Å; N204-Y502 PolarHBondContact ND2-O 3.03Å
205	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	-118.2	152.4	168.4	-62.3	0	0	0	0	109	A83 A86 F87 G177 V178 C179 V234	A83-V205 HydrophobicContact CB-CB 4.21Å; A83-V205 HydrophobicContact CB-CG2 3.78Å; A83-V205 WeakPolarHBondContact O-CG2 3.39Å; A86-V205 HydrophobicContact CB-CG1 4.14Å; F87-V205 HydrophobicContact CB-CG1 4.1Å; F87-V205 HydrophobicContact CB-CG2 3.84Å; F87-V205 HydrophobicContact CD2-CG1 4.15Å; F87-V205 HydrophobicContact CD2-CG2 4.29Å; F87-V205 HydrophobicContact CG-CG2 4.27Å; G177-V205 PolarHBondContact O-N 3.19Å; V178-V205 HydrophobicContact CB-CG2 4.3Å; V178-V205 HydrophobicContact CG2-CG2 3.79Å; C179-V205 PolarHBondContact N-O 3.29Å; V205-V234 CarbonylContact C-O 3.6Å; V205-V234 VanDerWaalsContact CA-O 3.31Å; V205-V234 WeakPolarHBondContact CA-O 3.46Å; V205-V234 HydrophobicContact CG1-CG2 4.36Å
206	V	98.9	Very high	98.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.3	-166.2	174.1	0	0	0	0	111.9	C179 Q181 L196 A199 M208 V234 N236	C179-V206 HydrophobicContact CB-CG2 4.49Å; C179-V206 WeakPolarHBondContact O-CA 3.02Å; Q181-V206 HydrophobicContact CB-CG1 4.31Å; Q181-V206 HydrophobicContact CG-CG1 4.15Å; L196-V206 HydrophobicContact CD2-CB 4.34Å; L196-V206 HydrophobicContact CD2-CG1 4.05Å; L196-V206 HydrophobicContact CD2-CG2 4.16Å; A199-V206 HydrophobicContact CB-CG2 4.02Å; V206-M208 HydrophobicContact CG1-CB 3.87Å; V206-V234 PolarHBondContact N-O 2.84Å; V206-N236 PolarHBondContact O-N 2.99Å; V206-N236 PolarHBondContact O-ND2 3.06Å
207	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	-116.8	104.9	158.8	-179.2	0	0	0	0	107.3	A79 V80 A83 V178 C179 G180 Q181 N236 V238 I249	A79-V207 HydrophobicContact CB-CG1 3.79Å; A79-V207 HydrophobicContact CB-CG2 4.09Å; V80-V207 HydrophobicContact CG2-CG2 3.95Å; A83-V207 HydrophobicContact CB-CG2 3.98Å; V178-V207 HydrophobicContact CG1-CG2 4.27Å; C179-V207 PolarHBondContact O-N 3.4Å; G180-V207 CarbonylContact C-O 3.45Å; G180-V207 WeakPolarHBondContact CA-O 3.4Å; Q181-V207 PolarHBondContact N-O 3Å; V207-N236 WeakPolarHBondContact CA-O 3.38Å; V207-V238 HydrophobicContact CG1-CG2 4.38Å; 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	-100.9	129.4	-175.4	-179.2	170.2	-76.8	0	0	111.1	Q181 I183 Q192 K195 L196 V206 V210 N236 I237 V238	Q181-M208 HydrophobicContact CB-CE 4.07Å; Q181-M208 CarbonylContact O-C 3.44Å; Q181-M208 VanDerWaalsContact O-CA 3.23Å; Q181-M208 WeakPolarHBondContact O-CA 3.42Å; I183-M208 HydrophobicContact CD1-SD 4.03Å; Q192-M208 HydrophobicContact CB-SD 4.31Å; Q192-M208 HydrophobicContact CG-CE 4.15Å; Q192-M208 HydrophobicContact CG-SD 3.8Å; K195-M208 HydrophobicContact CB-CE 3.76Å; K195-M208 HydrophobicContact CG-CE 4.5Å; L196-M208 HydrophobicContact CD2-CE 3.82Å; L196-M208 HydrophobicContact CG-CE 3.91Å; V206-M208 HydrophobicContact CG1-CB 3.87Å; M208-V210 HydrophobicContact CG-CG1 4.14Å; M208-V210 HydrophobicContact SD-CG1 4.28Å; M208-N236 PolarHBondContact N-O 3.28Å; M208-I237 HydrophobicContact CB-CG1 4.38Å; M208-I237 CarbonylContact O-C 3.59Å; M208-I237 WeakPolarHBondContact O-CA 3.35Å; M208-V238 PolarHBondContact O-N 3.3Å
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	-104	118.9	166	-171.8	-85	173.3	-155	0	108.9	Q181 I182 I183 E212 G240 F241 A245 I249	Q181-K209 PolarHBondContact O-N 3.11Å; I182-K209 HydrophobicContact CG1-CB 4.27Å; I182-K209 HydrophobicContact CG2-CD 4.22Å; I183-K209 PolarHBondContact N-O 3.15Å; I183-K209 VanDerWaalsContact N-O 3.15Å; K209-E212 IonicContact NZ-OE2 3.78Å; K209-E212 PolarHBondContact NZ-OE2 2.86Å; K209-G240 WeakPolarHBondContact CE-O 3.34Å; K209-G240 PolarHBondContact NZ-O 2.59Å; K209-F241 WeakPolarHBondContact CE-O 3.2Å; K209-A245 HydrophobicContact CG-CB 4.02Å; K209-I249 HydrophobicContact CB-CD1 3.62Å
210	V	98.9	Very high	98.9	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.006	4%	0.035	C	C	.	.	P	Polyproline II helix	trans	-90.6	150.4	177.5	-60.1	0	0	0	0	110.2	I183 M208 P215 A218 I237 P239	I183-V210 HydrophobicContact CD1-CG1 4.15Å; I183-V210 HydrophobicContact CG1-CG1 4.43Å; M208-V210 HydrophobicContact CG-CG1 4.14Å; M208-V210 HydrophobicContact SD-CG1 4.28Å; V210-P215 HydrophobicContact CG2-CB 3.86Å; V210-A218 HydrophobicContact CB-CB 4.36Å; V210-A218 HydrophobicContact CG1-CB 3.52Å; V210-I237 HydrophobicContact CG1-CG2 3.65Å; V210-I237 HydrophobicContact CG2-CG2 4.37Å; V210-P239 HydrophobicContact CG2-CB 3.96Å
211	A	98.6	Very high	98.9	Very high	4 Å²	4	7.2 Å²	7.2	3%	0.033	4%	0.036	C	C	.	.	P	Polyproline II helix	trans	-60.1	138.2	178.2	0	0	0	0	0	111.5	I183 W185 Q213 T214	I183-A211 PolarHBondContact O-N 3.28Å; W185-A211 HydrophobicContact CB-CB 3.65Å; W185-A211 HydrophobicContact CG-CB 4.44Å; A211-Q213 PolarHBondContact O-N 2.82Å; A211-T214 CarbonylContact O-C 3.53Å; A211-T214 PolarHBondContact O-N 2.86Å
212	E	98.6	Very high	98.9	Very high	47 Å²	47	7.2 Å²	7.2	22%	0.22	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.1	-179.1	56	-85.8	-163.6	0	0	112.9	F54 K209 F241	F54-E212 HydrophobicContact CE2-CB 4.05Å; F54-E212 VanDerWaalsContact CE2-O 3.27Å; F54-E212 WeakPolarHBondContact CE2-O 3.4Å; F54-E212 HydrophobicContact CZ-CB 4.43Å; K209-E212 IonicContact NZ-OE2 3.78Å; K209-E212 PolarHBondContact NZ-OE2 2.86Å; E212-F241 HydrophobicContact CB-CD1 3.87Å; E212-F241 HydrophobicContact CB-CE1 3.95Å; E212-F241 HydrophobicContact CG-CD1 3.73Å; E212-F241 HydrophobicContact CG-CE1 3.92Å
213	Q	98.8	Very high	98.9	Very high	38 Å²	38	9 Å²	9	18%	0.178	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-27	177.5	-60.4	80	0.4	0	0	113	T56 W185 A211 V362 D363	T56-Q213 PolarHBondContact OG1-O 2.97Å; W185-Q213 HydrophobicContact CB-CB 3.96Å; W185-Q213 HydrophobicContact CG-CB 4.28Å; W185-Q213 HydrophobicContact CG-CG 4.42Å; A211-Q213 PolarHBondContact O-N 2.82Å; Q213-V362 HydrophobicContact CB-CG2 3.87Å; Q213-V362 HydrophobicContact CG-CG2 4.43Å; Q213-D363 HydrophobicContact CG-CB 4.45Å; Q213-D363 WeakPolarHBondContact CG-OD2 3.45Å
214	T	98.8	Very high	98.9	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.018	4%	0.044	C	C	.	.	S	Bend	trans	-142.9	57.3	-169.7	59.6	0	0	0	0	113	D126 N127 W185 P188 A211 V362	D126-T214 VanDerWaalsContact OD2-C 3.25Å; D126-T214 WeakPolarHBondContact OD2-CA 3.28Å; N127-T214 HydrophobicContact CB-CG2 3.93Å; W185-T214 VanDerWaalsContact CA-OG1 3.24Å; W185-T214 WeakPolarHBondContact CA-OG1 3.32Å; W185-T214 HydrophobicContact CB-CG2 3.86Å; W185-T214 WeakPolarHBondContact CB-OG1 3.34Å; P188-T214 HydrophobicContact CG-CG2 3.95Å; P188-T214 WeakPolarHBondContact CG-OG1 3.35Å; A211-T214 CarbonylContact O-C 3.53Å; A211-T214 PolarHBondContact O-N 2.86Å; T214-V362 HydrophobicContact CG2-CG2 3.97Å
215	P	98.9	Very high	98.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.			trans	-79.6	-23.2	-174.3	32.1	-35.7	0	0	0	113.5	F54 T56 V68 D126 V210 T217 L219 P239	F54-P215 HydrophobicContact CE2-CG 4.35Å; F54-P215 HydrophobicContact CZ-CG 4.34Å; T56-P215 HydrophobicContact CG2-CG 4.47Å; V68-P215 HydrophobicContact CB-CG 4.47Å; V68-P215 HydrophobicContact CG1-CB 4.35Å; V68-P215 HydrophobicContact CG1-CG 4.29Å; V68-P215 HydrophobicContact CG2-CG 3.84Å; D126-P215 WeakPolarHBondContact OD2-CD 3.4Å; V210-P215 HydrophobicContact CG2-CB 3.86Å; P215-T217 PolarHBondContact O-N 3.24Å; P215-L219 HydrophobicContact CB-CD1 4.35Å; P215-L219 VanDerWaalsContact O-CG 3.29Å; P215-L219 WeakPolarHBondContact O-CG 3.31Å; P215-L219 PolarHBondContact O-N 3.42Å; P215-P239 HydrophobicContact CB-CB 4.31Å
216	L	98.9	Very high	98.9	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-69.7	-44	-155.2	-60.9	-177.2	0	0	0	114.1	V34 T56 I65 V68 L122 D126 L219 Y220	V34-L216 HydrophobicContact CG1-CD1 4.36Å; V34-L216 HydrophobicContact CG1-CD2 3.9Å; V34-L216 HydrophobicContact CG2-CD1 3.87Å; T56-L216 HydrophobicContact CG2-CD1 3.75Å; T56-L216 HydrophobicContact CG2-CD2 3.98Å; T56-L216 HydrophobicContact CG2-CG 3.88Å; I65-L216 HydrophobicContact CD1-CD1 4.37Å; I65-L216 HydrophobicContact CG2-CD1 3.94Å; V68-L216 HydrophobicContact CG2-CD2 3.82Å; L122-L216 HydrophobicContact CD1-CB 4.13Å; L122-L216 HydrophobicContact CD1-CD1 4.05Å; L122-L216 HydrophobicContact CD2-CB 4.08Å; L122-L216 HydrophobicContact CG-CB 4.17Å; D126-L216 HydrophobicContact CB-CD1 4.34Å; D126-L216 WeakPolarHBondContact OD2-CB 3.36Å; D126-L216 VanDerWaalsContact OD2-CG 3.27Å; D126-L216 WeakPolarHBondContact OD2-CG 3.44Å; D126-L216 PolarHBondContact OD2-N 3.07Å; D126-L216 VanDerWaalsContact OD2-N 3.12Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-Y220 PolarHBondContact O-N 3.25Å
217	T	98.9	Very high	98.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-40.5	-177.7	49.5	0	0	0	0	112.3	L119 L122 E123 L189 P215 L219 Y220 V221	L119-T217 HydrophobicContact CD2-CG2 4.4Å; L122-T217 HydrophobicContact CB-CG2 3.83Å; L122-T217 HydrophobicContact CD2-CG2 3.86Å; L122-T217 HydrophobicContact CG-CG2 3.66Å; E123-T217 HydrophobicContact CB-CG2 4.03Å; E123-T217 WeakPolarHBondContact OE2-CB 3.19Å; E123-T217 WeakPolarHBondContact OE2-CG2 3.09Å; E123-T217 PolarHBondContact OE2-OG1 2.85Å; L189-T217 HydrophobicContact CD1-CG2 4.24Å; L189-T217 HydrophobicContact CG-CG2 4.42Å; P215-T217 PolarHBondContact O-N 3.24Å; T217-L219 VanDerWaalsContact C-N 3.29Å; T217-L219 PolarHBondContact O-N 2.84Å; T217-Y220 PolarHBondContact O-N 3.1Å; T217-Y220 VanDerWaalsContact O-N 3.17Å; T217-V221 WeakPolarHBondContact O-CG2 3.3Å; T217-V221 PolarHBondContact O-N 3.05Å
218	A	98.9	Very high	98.9	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-35.1	176.5	0	0	0	0	0	112.5	Q192 V210 V221 A222 I237	Q192-A218 PolarHBondContact NE2-O 2.86Å; Q192-A218 VanDerWaalsContact NE2-O 3.1Å; V210-A218 HydrophobicContact CB-CB 4.36Å; V210-A218 HydrophobicContact CG1-CB 3.52Å; A218-V221 PolarHBondContact O-N 3.45Å; A218-A222 PolarHBondContact O-N 2.88Å; A218-I237 WeakPolarHBondContact O-CD1 3.41Å
219	L	98.9	Very high	98.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-40.9	173	-63.6	177.2	0	0	0	111.4	C36 K38 W45 V68 P215 L216 T217 V221 A222 N223 I237 P239	C36-L219 HydrophobicContact CB-CB 3.91Å; K38-L219 WeakPolarHBondContact O-CD2 3.34Å; W45-L219 HydrophobicContact CH2-CB 4Å; W45-L219 HydrophobicContact CH2-CD2 4.45Å; W45-L219 WeakPolarHBondContact CH2-O 3.46Å; W45-L219 HydrophobicContact CZ3-CB 4.34Å; W45-L219 HydrophobicContact CZ3-CD2 4.15Å; V68-L219 HydrophobicContact CG1-CD1 4.02Å; P215-L219 HydrophobicContact CB-CD1 4.35Å; P215-L219 VanDerWaalsContact O-CG 3.29Å; P215-L219 WeakPolarHBondContact O-CG 3.31Å; P215-L219 PolarHBondContact O-N 3.42Å; L216-L219 PolarHBondContact O-N 3.01Å; T217-L219 VanDerWaalsContact C-N 3.29Å; T217-L219 PolarHBondContact O-N 2.84Å; L219-V221 VanDerWaalsContact C-N 3.31Å; L219-V221 PolarHBondContact O-N 3.29Å; L219-A222 WeakPolarHBondContact O-CB 3.42Å; L219-A222 PolarHBondContact O-N 3.29Å; L219-N223 PolarHBondContact O-N 2.83Å; L219-I237 HydrophobicContact CD2-CB 4.29Å; L219-I237 HydrophobicContact CD2-CG2 3.84Å; L219-P239 HydrophobicContact CD1-CG 4.25Å; L219-P239 HydrophobicContact CD2-CG 4.15Å
220	Y	98.9	Very high	98.9	Very high	28 Å²	28	20.1 Å²	20.1	11%	0.11	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-41.1	174	-171.4	-95	0	0	0	112.2	F35 D115 Y118 L119 L216 T217 A222 N223 L224	F35-Y220 HydrophobicContact CD2-CD2 4.24Å; F35-Y220 AromaticContact CD2-CE2 3.81Å; F35-Y220 HydrophobicContact CD2-CE2 3.81Å; D115-Y220 HydrophobicContact CB-CE1 4.02Å; D115-Y220 PolarHBondContact OD2-OH 2.83Å; Y118-Y220 HydrophobicContact CD1-CD1 4.11Å; Y118-Y220 HydrophobicContact CD1-CD2 4.39Å; Y118-Y220 AromaticContact CD1-CE1 3.75Å; Y118-Y220 HydrophobicContact CD1-CE1 3.75Å; Y118-Y220 HydrophobicContact CD1-CE2 4.06Å; Y118-Y220 HydrophobicContact CD1-CG 4.39Å; Y118-Y220 AromaticContact CD1-CZ 3.7Å; Y118-Y220 AromaticContact CE1-CD1 3.79Å; Y118-Y220 HydrophobicContact CE1-CD1 3.79Å; Y118-Y220 AromaticContact CE1-CD2 3.44Å; Y118-Y220 HydrophobicContact CE1-CD2 3.44Å; Y118-Y220 VanDerWaalsContact CE1-CD2 3.44Å; Y118-Y220 AromaticContact CE1-CE1 3.74Å; Y118-Y220 HydrophobicContact CE1-CE1 3.74Å; Y118-Y220 AromaticContact CE1-CE2 3.4Å; Y118-Y220 HydrophobicContact CE1-CE2 3.4Å; Y118-Y220 VanDerWaalsContact CE1-CE2 3.4Å; Y118-Y220 AromaticContact CE1-CG 3.6Å; Y118-Y220 HydrophobicContact CE1-CG 3.6Å; Y118-Y220 AromaticContact CE1-CZ 3.54Å; L119-Y220 HydrophobicContact CD2-CD1 3.65Å; L119-Y220 HydrophobicContact CD2-CE1 4.42Å; L119-Y220 HydrophobicContact CD2-CG 4.3Å; L119-Y220 HydrophobicContact CG-CD1 4.1Å; L119-Y220 HydrophobicContact CG-CE1 4.4Å; L216-Y220 PolarHBondContact O-N 3.25Å; T217-Y220 PolarHBondContact O-N 3.1Å; T217-Y220 VanDerWaalsContact O-N 3.17Å; Y220-A222 PolarHBondContact O-N 3.48Å; Y220-N223 WeakPolarHBondContact O-CA 3.38Å; Y220-N223 VanDerWaalsContact O-CB 3.23Å; Y220-N223 WeakPolarHBondContact O-CB 3.41Å; Y220-N223 PolarHBondContact O-N 2.88Å; Y220-L224 HydrophobicContact CD1-CD1 4.11Å; Y220-L224 HydrophobicContact CD1-CG 4.16Å; Y220-L224 HydrophobicContact CE1-CD1 3.96Å; Y220-L224 HydrophobicContact CE1-CD2 3.93Å; Y220-L224 HydrophobicContact CE1-CG 4.03Å; Y220-L224 PolarHBondContact O-N 3.4Å
221	V	98.9	Very high	98.9	Very high	3 Å²	3	21 Å²	21	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-32.2	173.5	171.7	0	0	0	0	111.7	L108 I112 L119 L189 Q192 T217 A218 L219 N223 L224 I225	L108-V221 HydrophobicContact CD1-CG1 4.39Å; I112-V221 HydrophobicContact CD1-CG1 4.28Å; I112-V221 HydrophobicContact CD1-CG2 4.38Å; I112-V221 HydrophobicContact CG1-CG2 4.46Å; L119-V221 HydrophobicContact CD2-CG2 4.37Å; L189-V221 HydrophobicContact CD2-CG2 3.46Å; L189-V221 VanDerWaalsContact CD2-CG2 3.46Å; Q192-V221 VanDerWaalsContact OE1-CB 3.29Å; T217-V221 WeakPolarHBondContact O-CG2 3.3Å; T217-V221 PolarHBondContact O-N 3.05Å; A218-V221 PolarHBondContact O-N 3.45Å; L219-V221 VanDerWaalsContact C-N 3.31Å; L219-V221 PolarHBondContact O-N 3.29Å; V221-N223 VanDerWaalsContact C-N 3.27Å; V221-N223 PolarHBondContact O-N 3.5Å; V221-L224 CarbonylContact O-C 3.52Å; V221-L224 WeakPolarHBondContact O-CA 3.26Å; V221-L224 WeakPolarHBondContact O-CB 3.44Å; V221-L224 PolarHBondContact O-N 2.84Å; V221-I225 HydrophobicContact CG1-CD1 4.17Å; V221-I225 HydrophobicContact CG1-CG1 4.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.44Å; V221-I225 PolarHBondContact O-N 3.32Å
222	A	98.9	Very high	98.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-37.5	173.3	0	0	0	0	0	112.6	F40 W45 A218 L219 Y220 L224 I225 K226 I237	F40-A222 HydrophobicContact CB-CB 4.06Å; F40-A222 HydrophobicContact CD1-CB 3.78Å; F40-A222 HydrophobicContact CD2-CB 3.75Å; F40-A222 HydrophobicContact CE1-CB 4.03Å; F40-A222 HydrophobicContact CE2-CB 4Å; F40-A222 WeakPolarHBondContact CE2-O 3.09Å; F40-A222 HydrophobicContact CG-CB 3.6Å; F40-A222 HydrophobicContact CZ-CB 4.1Å; F40-A222 WeakPolarHBondContact CZ-O 3.48Å; W45-A222 HydrophobicContact CH2-CB 4Å; W45-A222 HydrophobicContact CZ2-CB 4.39Å; A218-A222 PolarHBondContact O-N 2.88Å; L219-A222 WeakPolarHBondContact O-CB 3.42Å; L219-A222 PolarHBondContact O-N 3.29Å; Y220-A222 PolarHBondContact O-N 3.48Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 3.33Å; A222-I225 WeakPolarHBondContact O-CB 3.49Å; A222-I225 PolarHBondContact O-N 3.18Å; A222-K226 PolarHBondContact O-N 2.94Å; A222-K226 VanDerWaalsContact O-N 3.09Å; A222-I237 HydrophobicContact CB-CD1 3.78Å; A222-I237 HydrophobicContact CB-CG1 4.33Å
223	N	98.9	Very high	98.9	Very high	56 Å²	56	22 Å²	22	30%	0.299	12%	0.124	S	C	.	.	H	α-helix	trans	-63.6	-38.7	172.9	-162.2	60	0	0	0	111.4	W45 L219 Y220 V221 K226 E227	W45-N223 HydrophobicContact CZ2-CB 4.27Å; L219-N223 PolarHBondContact O-N 2.83Å; Y220-N223 WeakPolarHBondContact O-CA 3.38Å; Y220-N223 VanDerWaalsContact O-CB 3.23Å; Y220-N223 WeakPolarHBondContact O-CB 3.41Å; Y220-N223 PolarHBondContact O-N 2.88Å; V221-N223 VanDerWaalsContact C-N 3.27Å; V221-N223 PolarHBondContact O-N 3.5Å; N223-K226 WeakPolarHBondContact O-CB 3.34Å; N223-K226 PolarHBondContact O-N 2.73Å; N223-E227 PolarHBondContact O-N 2.74Å
224	L	98.9	Very high	98.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.1	-31.7	175.3	-54	-175.2	0	0	0	112.7	L108 L111 I112 D115 L119 Y220 V221 A222 K226 E227 A228	L108-L224 HydrophobicContact CD1-CB 3.87Å; L111-L224 HydrophobicContact CB-CB 4.29Å; L111-L224 HydrophobicContact CB-CD1 4.37Å; L111-L224 HydrophobicContact CB-CD2 4.41Å; L111-L224 HydrophobicContact CD1-CB 4.48Å; L111-L224 WeakPolarHBondContact CD1-O 3.36Å; I112-L224 HydrophobicContact CG1-CD1 3.77Å; D115-L224 WeakPolarHBondContact OD2-CD2 3.28Å; L119-L224 HydrophobicContact CD1-CD1 4.27Å; Y220-L224 HydrophobicContact CD1-CD1 4.11Å; Y220-L224 HydrophobicContact CD1-CG 4.16Å; Y220-L224 HydrophobicContact CE1-CD1 3.96Å; Y220-L224 HydrophobicContact CE1-CD2 3.93Å; Y220-L224 HydrophobicContact CE1-CG 4.03Å; Y220-L224 PolarHBondContact O-N 3.4Å; V221-L224 CarbonylContact O-C 3.52Å; V221-L224 WeakPolarHBondContact O-CA 3.26Å; V221-L224 WeakPolarHBondContact O-CB 3.44Å; V221-L224 PolarHBondContact O-N 2.84Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 3.33Å; L224-K226 VanDerWaalsContact C-N 3.35Å; L224-E227 PolarHBondContact O-N 2.92Å; L224-A228 VanDerWaalsContact O-CB 3.28Å; L224-A228 WeakPolarHBondContact O-CB 3.48Å; L224-A228 PolarHBondContact O-N 3.03Å
225	I	98.9	Very high	98.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-43.5	172.5	-71.1	169	0	0	0	110.3	L108 L196 V221 A222 A228 G229 F230 V235	L108-I225 HydrophobicContact CD1-CG1 3.79Å; L108-I225 HydrophobicContact CD2-CG1 3.88Å; L108-I225 HydrophobicContact CG-CG1 4.5Å; L196-I225 HydrophobicContact CD1-CD1 3.84Å; V221-I225 HydrophobicContact CG1-CD1 4.17Å; V221-I225 HydrophobicContact CG1-CG1 4.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.44Å; V221-I225 PolarHBondContact O-N 3.32Å; A222-I225 WeakPolarHBondContact O-CB 3.49Å; A222-I225 PolarHBondContact O-N 3.18Å; I225-A228 PolarHBondContact O-N 3.39Å; I225-G229 PolarHBondContact O-N 3.14Å; I225-F230 HydrophobicContact CB-CD2 4.47Å; I225-F230 HydrophobicContact CG2-CB 3.76Å; I225-F230 HydrophobicContact CG2-CD2 3.79Å; I225-F230 HydrophobicContact CG2-CG 3.9Å; I225-F230 WeakPolarHBondContact O-CD2 3.44Å; I225-F230 PolarHBondContact O-N 3.35Å; I225-V235 HydrophobicContact CD1-CB 4.16Å; I225-V235 HydrophobicContact CD1-CG1 3.86Å; I225-V235 HydrophobicContact CD1-CG2 4.2Å; I225-V235 HydrophobicContact CG2-CB 4.18Å; I225-V235 HydrophobicContact CG2-CG2 4.21Å
226	K	98.9	Very high	98.9	Very high	96 Å²	96	20 Å²	20	42%	0.417	12%	0.115	S	C	.	.	H	α-helix	trans	-60.8	-48.5	172.4	176.1	179.8	-172.5	162.5	0	111.2	F40 N43 A222 N223 L224 A228 G229	F40-K226 HydrophobicContact CE2-CB 4.48Å; F40-K226 HydrophobicContact CZ-CB 4.19Å; N43-K226 HydrophobicContact CB-CB 4.27Å; N43-K226 HydrophobicContact CB-CD 4.13Å; N43-K226 HydrophobicContact CB-CG 4.01Å; N43-K226 WeakPolarHBondContact O-CD 3.24Å; N43-K226 WeakPolarHBondContact O-CE 3.43Å; N43-K226 PolarHBondContact O-NZ 2.79Å; A222-K226 PolarHBondContact O-N 2.94Å; A222-K226 VanDerWaalsContact O-N 3.09Å; N223-K226 WeakPolarHBondContact O-CB 3.34Å; N223-K226 PolarHBondContact O-N 2.73Å; L224-K226 VanDerWaalsContact C-N 3.35Å; K226-A228 VanDerWaalsContact C-N 3.28Å; K226-A228 PolarHBondContact O-N 2.97Å; K226-G229 PolarHBondContact O-N 2.97Å; K226-G229 VanDerWaalsContact O-N 3.11Å
227	E	98.8	Very high	98.9	Very high	86 Å²	86	20 Å²	20	40%	0.402	12%	0.115	S	C	.	.	H	α-helix	trans	-62.5	-34.3	179.5	-173	-174.7	165.9	0	0	112.5	L111 R114 N223 L224 G229	L111-E227 HydrophobicContact CD1-CB 3.88Å; L111-E227 HydrophobicContact CD1-CG 3.88Å; L111-E227 HydrophobicContact CD2-CG 4.32Å; L111-E227 VanDerWaalsContact CD2-OE1 3.27Å; L111-E227 WeakPolarHBondContact CD2-OE1 3.41Å; R114-E227 IonicContact CZ-OE1 3.69Å; R114-E227 IonicContact CZ-OE2 3.54Å; R114-E227 IonicContact NH1-OE1 2.86Å; R114-E227 PolarHBondContact NH1-OE1 2.91Å; R114-E227 IonicContact NH1-OE2 3.69Å; R114-E227 PolarHBondContact NH1-OE2 2.93Å; R114-E227 IonicContact NH2-OE1 3.72Å; R114-E227 IonicContact NH2-OE2 3.72Å; R114-E227 PolarHBondContact NH2-OE2 2.88Å; N223-E227 PolarHBondContact O-N 2.74Å; L224-E227 PolarHBondContact O-N 2.92Å; E227-G229 PolarHBondContact O-N 3.13Å
228	A	98.8	Very high	98.9	Very high	10 Å²	10	20 Å²	20	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-18	176.7	0	0	0	0	0	113.2	L104 R107 L108 L111 L224 I225 K226 F230	L104-A228 WeakPolarHBondContact CD2-O 3.38Å; R107-A228 HydrophobicContact CB-CB 4.4Å; R107-A228 HydrophobicContact CG-CB 3.9Å; L108-A228 HydrophobicContact CB-CB 4.3Å; L111-A228 HydrophobicContact CD1-CB 3.94Å; L224-A228 VanDerWaalsContact O-CB 3.28Å; L224-A228 WeakPolarHBondContact O-CB 3.48Å; L224-A228 PolarHBondContact O-N 3.03Å; I225-A228 PolarHBondContact O-N 3.39Å; K226-A228 VanDerWaalsContact C-N 3.28Å; K226-A228 PolarHBondContact O-N 2.97Å; A228-F230 HydrophobicContact CB-CD2 3.92Å; A228-F230 HydrophobicContact CB-CE2 3.98Å
229	G	98.8	Very high	98.9	Very high	45 Å²	45	20 Å²	20	46%	0.464	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	19.9	176.9	0	0	0	0	0	114.7	I225 K226 E227	I225-G229 PolarHBondContact O-N 3.14Å; K226-G229 PolarHBondContact O-N 2.97Å; K226-G229 VanDerWaalsContact O-N 3.11Å; E227-G229 PolarHBondContact O-N 3.13Å
230	F	98.9	Very high	98.8	Very high	3 Å²	3	20 Å²	20	1%	0.013	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-61.8	135.7	170.6	-75.4	-93.9	0	0	0	110.2	N43 W93 L104 L105 L108 L200 I225 A228 V234	N43-F230 PolarHBondContact ND2-O 3.12Å; W93-F230 AromaticContact CH2-CD1 3.97Å; W93-F230 HydrophobicContact CH2-CD1 3.97Å; W93-F230 AromaticContact CH2-CE1 3.86Å; W93-F230 HydrophobicContact CH2-CE1 3.86Å; W93-F230 AromaticContact CZ3-CD1 3.98Å; W93-F230 HydrophobicContact CZ3-CD1 3.98Å; W93-F230 HydrophobicContact CZ3-CE1 4.22Å; L104-F230 HydrophobicContact CB-CD1 4.4Å; L104-F230 HydrophobicContact CB-CD2 4.31Å; L104-F230 HydrophobicContact CB-CE1 3.86Å; L104-F230 HydrophobicContact CB-CE2 3.77Å; L104-F230 HydrophobicContact CB-CZ 3.53Å; L104-F230 HydrophobicContact CD1-CD1 4.16Å; L104-F230 HydrophobicContact CD1-CE1 4.3Å; L104-F230 HydrophobicContact CD1-CG 4.42Å; L105-F230 HydrophobicContact CD2-CZ 4.34Å; L105-F230 HydrophobicContact CG-CZ 4.37Å; L108-F230 HydrophobicContact CB-CE2 4.19Å; L108-F230 HydrophobicContact CD2-CE2 4.39Å; L200-F230 HydrophobicContact CB-CE1 4.46Å; L200-F230 HydrophobicContact CD1-CE1 3.83Å; L200-F230 HydrophobicContact CD1-CZ 4.09Å; L200-F230 HydrophobicContact CD2-CE1 4.46Å; L200-F230 HydrophobicContact CG-CE1 4.49Å; I225-F230 HydrophobicContact CB-CD2 4.47Å; I225-F230 HydrophobicContact CG2-CB 3.76Å; I225-F230 HydrophobicContact CG2-CD2 3.79Å; I225-F230 HydrophobicContact CG2-CG 3.9Å; I225-F230 WeakPolarHBondContact O-CD2 3.44Å; I225-F230 PolarHBondContact O-N 3.35Å; A228-F230 HydrophobicContact CB-CD2 3.92Å; A228-F230 HydrophobicContact CB-CE2 3.98Å; F230-V234 HydrophobicContact CD1-CG1 4.14Å
231	P	98.9	Very high	98.8	Very high	19 Å²	19	22.1 Å²	22.1	12%	0.123	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-57.5	146.3	177.3	-24.9	32.7	0	0	0	112.6	P92 W93 M96 G233 V234	P92-P231 HydrophobicContact CB-CB 4.48Å; P92-P231 HydrophobicContact CB-CG 4.3Å; W93-P231 HydrophobicContact CB-CG 4.42Å; W93-P231 HydrophobicContact CE3-CG 4.16Å; M96-P231 HydrophobicContact CE-CG 4.12Å; P231-G233 PolarHBondContact O-N 2.87Å; P231-V234 HydrophobicContact CB-CG2 3.85Å; P231-V234 HydrophobicContact CG-CG2 4.18Å; P231-V234 WeakPolarHBondContact O-CB 3.11Å; P231-V234 VanDerWaalsContact O-CG2 3.3Å; P231-V234 WeakPolarHBondContact O-CG2 3.36Å; P231-V234 PolarHBondContact O-N 3.34Å
232	P	98.9	Very high	98.7	Very high	73 Å²	73	23.3 Å²	23.3	47%	0.474	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	135.4	174.4	-27.9	35.8	0	0	0	112.1	N42 A86 V234	N42-P232 HydrophobicContact CB-CB 4.15Å; A86-P232 WeakPolarHBondContact CB-O 3.35Å; P232-V234 VanDerWaalsContact C-N 3.28Å; P232-V234 PolarHBondContact O-N 2.9Å
233	G	98.8	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-10	176.8	0	0	0	0	0	114	N42 A83 P231 V235 N236	N42-G233 WeakPolarHBondContact OD1-CA 3.32Å; N42-G233 PolarHBondContact OD1-N 3.33Å; A83-G233 WeakPolarHBondContact CA-O 3.27Å; P231-G233 PolarHBondContact O-N 2.87Å; G233-V235 VanDerWaalsContact C-N 3.35Å; G233-N236 PolarHBondContact O-ND2 3.14Å
234	V	98.9	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-65.7	-39.3	176.5	173.4	0	0	0	0	111.6	A86 W93 L200 V205 V206 F230 P231 P232	A86-V234 HydrophobicContact CB-CG2 4.3Å; W93-V234 HydrophobicContact CB-CG2 3.79Å; W93-V234 HydrophobicContact CD2-CB 4.5Å; W93-V234 HydrophobicContact CD2-CG1 3.92Å; W93-V234 HydrophobicContact CD2-CG2 3.68Å; W93-V234 HydrophobicContact CE3-CG1 4.29Å; W93-V234 HydrophobicContact CE3-CG2 4.06Å; W93-V234 HydrophobicContact CG-CG1 4.42Å; W93-V234 HydrophobicContact CG-CG2 3.55Å; W93-V234 HydrophobicContact CH2-CG1 4.2Å; W93-V234 HydrophobicContact CZ2-CG1 3.81Å; W93-V234 HydrophobicContact CZ3-CG1 4.42Å; L200-V234 HydrophobicContact CD2-CG1 3.64Å; V205-V234 CarbonylContact C-O 3.6Å; V205-V234 VanDerWaalsContact CA-O 3.31Å; V205-V234 WeakPolarHBondContact CA-O 3.46Å; V205-V234 HydrophobicContact CG1-CG2 4.36Å; V206-V234 PolarHBondContact N-O 2.84Å; F230-V234 HydrophobicContact CD1-CG1 4.14Å; P231-V234 HydrophobicContact CB-CG2 3.85Å; P231-V234 HydrophobicContact CG-CG2 4.18Å; P231-V234 WeakPolarHBondContact O-CB 3.11Å; P231-V234 VanDerWaalsContact O-CG2 3.3Å; P231-V234 WeakPolarHBondContact O-CG2 3.36Å; P231-V234 PolarHBondContact O-N 3.34Å; P232-V234 VanDerWaalsContact C-N 3.28Å; P232-V234 PolarHBondContact O-N 2.9Å
235	V	98.9	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.4	170	-176.7	0	0	0	0	108.9	F40 L196 L200 I225 G233 I237	F40-V235 WeakPolarHBondContact CD1-O 3.27Å; F40-V235 WeakPolarHBondContact CE1-O 3.25Å; L196-V235 HydrophobicContact CD2-CG1 4.08Å; L196-V235 HydrophobicContact CD2-CG2 4.24Å; L200-V235 HydrophobicContact CD1-CG2 4.05Å; L200-V235 HydrophobicContact CD2-CG2 3.84Å; I225-V235 HydrophobicContact CD1-CB 4.16Å; I225-V235 HydrophobicContact CD1-CG1 3.86Å; I225-V235 HydrophobicContact CD1-CG2 4.2Å; I225-V235 HydrophobicContact CG2-CB 4.18Å; I225-V235 HydrophobicContact CG2-CG2 4.21Å; G233-V235 VanDerWaalsContact C-N 3.35Å; V235-I237 HydrophobicContact CG1-CG1 4.11Å
236	N	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.4	174.1	-48	-87.2	0	0	0	107.6	F40 I41 N42 A79 V206 V207 M208 G233	F40-N236 CarbonylContact O-C 3.59Å; F40-N236 WeakPolarHBondContact O-CA 3.3Å; I41-N236 WeakPolarHBondContact CA-OD1 3.3Å; I41-N236 HydrophobicContact CG1-CB 4.34Å; N42-N236 PolarHBondContact N-OD1 2.98Å; A79-N236 HydrophobicContact CB-CB 3.89Å; V206-N236 PolarHBondContact O-N 2.99Å; V206-N236 PolarHBondContact O-ND2 3.06Å; V207-N236 WeakPolarHBondContact CA-O 3.38Å; M208-N236 PolarHBondContact N-O 3.28Å; G233-N236 PolarHBondContact O-ND2 3.14Å
237	I	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.3	-178.7	-49.1	-167.3	0	0	0	109.3	F40 M208 V210 A218 L219 A222 V235 P239	F40-I237 HydrophobicContact CB-CB 4.21Å; F40-I237 PolarHBondContact N-O 3.16Å; F40-I237 PolarHBondContact O-N 2.8Å; M208-I237 HydrophobicContact CB-CG1 4.38Å; M208-I237 CarbonylContact O-C 3.59Å; M208-I237 WeakPolarHBondContact O-CA 3.35Å; V210-I237 HydrophobicContact CG1-CG2 3.65Å; V210-I237 HydrophobicContact CG2-CG2 4.37Å; A218-I237 WeakPolarHBondContact O-CD1 3.41Å; L219-I237 HydrophobicContact CD2-CB 4.29Å; L219-I237 HydrophobicContact CD2-CG2 3.84Å; A222-I237 HydrophobicContact CB-CD1 3.78Å; A222-I237 HydrophobicContact CB-CG1 4.33Å; V235-I237 HydrophobicContact CG1-CG1 4.11Å; I237-P239 WeakPolarHBondContact O-CD 3.39Å
238	V	98.9	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	16%	0.155	C	C	.	.			trans	-116.1	94.7	-179.5	-173.4	0	0	0	0	108.3	I39 D75 V76 A79 V207 M208 A245	I39-V238 HydrophobicContact CG1-CG1 4.47Å; I39-V238 HydrophobicContact CG2-CG2 4.21Å; D75-V238 HydrophobicContact CB-CG1 4.25Å; V76-V238 HydrophobicContact CG2-CG1 4.13Å; A79-V238 HydrophobicContact CB-CG2 3.76Å; V207-V238 HydrophobicContact CG1-CG2 4.38Å; M208-V238 PolarHBondContact O-N 3.3Å; V238-A245 HydrophobicContact CG1-CB 4.36Å
239	P	98.9	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.151	C	C	.	.			trans	-65.5	144.9	168	28.8	-33.4	0	0	0	109.7	I39 F54 V68 G71 V210 P215 L219 I237	I39-P239 HydrophobicContact CG1-CG 4.25Å; F54-P239 HydrophobicContact CE1-CB 4.28Å; F54-P239 HydrophobicContact CZ-CB 4.24Å; V68-P239 HydrophobicContact CG1-CB 3.72Å; V68-P239 HydrophobicContact CG1-CG 3.79Å; G71-P239 VanDerWaalsContact CA-O 3.29Å; G71-P239 WeakPolarHBondContact CA-O 3.41Å; G71-P239 PolarHBondContact N-O 2.71Å; V210-P239 HydrophobicContact CG2-CB 3.96Å; P215-P239 HydrophobicContact CB-CB 4.31Å; L219-P239 HydrophobicContact CD1-CG 4.25Å; L219-P239 HydrophobicContact CD2-CG 4.15Å; I237-P239 WeakPolarHBondContact O-CD 3.39Å
240	G	97.2	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.129	C	C	.	.			trans	164.6	-172.5	-176.5	0	0	0	0	0	110.9	K209	K209-G240 WeakPolarHBondContact CE-O 3.34Å; K209-G240 PolarHBondContact NZ-O 2.59Å
241	F	98.8	Very high	98.7	Very high	73 Å²	73	22.2 Å²	22.2	32%	0.32	15%	0.148	S	C	.	.			trans	-89.6	161.4	-178.9	-66	-78.4	0	0	0	112.8	F54 E70 K209 E212 T244 A245 G246	F54-F241 HydrophobicContact CB-CE2 3.84Å; F54-F241 HydrophobicContact CB-CZ 3.72Å; F54-F241 HydrophobicContact CD1-CE2 4.4Å; F54-F241 HydrophobicContact CD2-CZ 4.34Å; F54-F241 HydrophobicContact CG-CE2 4.13Å; F54-F241 HydrophobicContact CG-CZ 4.01Å; E70-F241 HydrophobicContact CG-CD2 4.1Å; E70-F241 HydrophobicContact CG-CE2 4.04Å; K209-F241 WeakPolarHBondContact CE-O 3.2Å; E212-F241 HydrophobicContact CB-CD1 3.87Å; E212-F241 HydrophobicContact CB-CE1 3.95Å; E212-F241 HydrophobicContact CG-CD1 3.73Å; E212-F241 HydrophobicContact CG-CE1 3.92Å; F241-T244 PolarHBondContact O-OG1 2.83Å; F241-A245 PolarHBondContact O-N 3.05Å; F241-G246 PolarHBondContact O-N 2.77Å
242	G	97.6	Very high	98.7	Very high	28 Å²	28	22.8 Å²	22.8	29%	0.289	15%	0.149	S	C	.	.	I	π-helix	trans	-58.9	-56.4	176.4	0	0	0	0	0	113.8	T244 G246 A247	G242-T244 PolarHBondContact O-N 2.76Å; G242-G246 CarbonylContact O-C 3.59Å; G242-G246 WeakPolarHBondContact O-CA 3.46Å; G242-G246 PolarHBondContact O-N 3.27Å; G242-A247 PolarHBondContact O-N 2.93Å
243	P	98.4	Very high	98.7	Very high	118 Å²	118	25.2 Å²	25.2	77%	0.766	15%	0.154	S	C	*	.	I	π-helix	trans	-65.4	-17.2	-177.4	-25.2	36	0	0	0	115.6	A247	P243-A247 VanDerWaalsContact O-CB 3.29Å; P243-A247 WeakPolarHBondContact O-CB 3.48Å
244	T	98.7	Very high	98.7	Very high	39 Å²	39	28 Å²	28	24%	0.239	17%	0.169	C	C	.	.	I	π-helix	trans	-99.7	-88	177.8	52.7	0	0	0	0	110.4	D72 F241 G242 G246 A247 A248	D72-T244 WeakPolarHBondContact OD1-CB 3.48Å; F241-T244 PolarHBondContact O-OG1 2.83Å; G242-T244 PolarHBondContact O-N 2.76Å; T244-G246 PolarHBondContact O-N 3.03Å; T244-A247 PolarHBondContact O-N 3.44Å; T244-A248 WeakPolarHBondContact O-CB 3.34Å; T244-A248 PolarHBondContact O-N 3.4Å
245	A	98.8	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-60	-41.3	-177.2	0	0	0	0	0	113.1	V76 K209 V238 F241 A248 I249	V76-A245 HydrophobicContact CG2-CB 4.11Å; K209-A245 HydrophobicContact CG-CB 4.02Å; V238-A245 HydrophobicContact CG1-CB 4.36Å; F241-A245 PolarHBondContact O-N 3.05Å; A245-A248 PolarHBondContact O-N 3.43Å; A245-I249 WeakPolarHBondContact O-CG1 3.39Å; A245-I249 PolarHBondContact O-N 3.32Å; A245-I249 VanDerWaalsContact O-N 3.1Å
246	G	98.6	Very high	98.7	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	18%	0.178	C	C	.	.	I	π-helix	trans	-64.5	-48.7	179.2	0	0	0	0	0	112.6	I182 F241 G242 T244 A248 I249 A250	I182-G246 WeakPolarHBondContact CD1-O 3.38Å; F241-G246 PolarHBondContact O-N 2.77Å; G242-G246 CarbonylContact O-C 3.59Å; G242-G246 WeakPolarHBondContact O-CA 3.46Å; G242-G246 PolarHBondContact O-N 3.27Å; T244-G246 PolarHBondContact O-N 3.03Å; G246-A248 VanDerWaalsContact C-N 3.33Å; G246-A248 PolarHBondContact O-N 3.38Å; G246-I249 PolarHBondContact O-N 3.28Å; G246-A250 PolarHBondContact O-N 3.18Å; G246-A250 VanDerWaalsContact O-N 3.09Å
247	A	98.8	Very high	98.7	Very high	40 Å²	40	29.8 Å²	29.8	33%	0.331	18%	0.179	S	C	.	.	H	α-helix	trans	-65	-37.4	176.9	0	0	0	0	0	112.1	G242 P243 T244 I249 A250 S251	G242-A247 PolarHBondContact O-N 2.93Å; P243-A247 VanDerWaalsContact O-CB 3.29Å; P243-A247 WeakPolarHBondContact O-CB 3.48Å; T244-A247 PolarHBondContact O-N 3.44Å; A247-I249 PolarHBondContact O-N 3.45Å; A247-A250 PolarHBondContact O-N 2.92Å; A247-S251 WeakPolarHBondContact O-CB 3.49Å; A247-S251 PolarHBondContact O-N 2.89Å; A247-S251 PolarHBondContact O-OG 3.02Å
248	A	98.9	Very high	98.7	Very high	13 Å²	13	29.8 Å²	29.8	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-46.6	174.4	0	0	0	0	0	111.2	K73 V76 T244 A245 G246 S251 H252	K73-A248 HydrophobicContact CB-CB 3.95Å; K73-A248 HydrophobicContact CG-CB 4Å; V76-A248 HydrophobicContact CB-CB 4.1Å; V76-A248 HydrophobicContact CG1-CB 4.15Å; V76-A248 HydrophobicContact CG2-CB 4.09Å; T244-A248 WeakPolarHBondContact O-CB 3.34Å; T244-A248 PolarHBondContact O-N 3.4Å; A245-A248 PolarHBondContact O-N 3.43Å; G246-A248 VanDerWaalsContact C-N 3.33Å; G246-A248 PolarHBondContact O-N 3.38Å; A248-S251 PolarHBondContact O-N 3.34Å; A248-H252 VanDerWaalsContact O-CB 3.28Å; A248-H252 WeakPolarHBondContact O-CB 3.42Å; A248-H252 PolarHBondContact O-N 3.07Å
249	I	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-47.8	175.7	-68.8	169.2	0	0	0	111.4	V76 G180 I182 V207 K209 A245 G246 A247 S251 H252	V76-I249 HydrophobicContact CG1-CG1 3.59Å; V76-I249 HydrophobicContact CG2-CG1 4.04Å; G180-I249 VanDerWaalsContact CA-CG2 3.46Å; I182-I249 HydrophobicContact CD1-CB 4.44Å; I182-I249 HydrophobicContact CD1-CG2 4.38Å; 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 3.62Å; A245-I249 WeakPolarHBondContact O-CG1 3.39Å; A245-I249 PolarHBondContact O-N 3.32Å; A245-I249 VanDerWaalsContact O-N 3.1Å; G246-I249 PolarHBondContact O-N 3.28Å; A247-I249 PolarHBondContact O-N 3.45Å; I249-S251 VanDerWaalsContact C-N 3.27Å; I249-S251 PolarHBondContact O-N 2.84Å; I249-H252 PolarHBondContact O-N 2.94Å
250	A	98.8	Very high	98.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-32.3	-175.8	0	0	0	0	0	112.9	G246 A247 I270 A273 K280	G246-A250 PolarHBondContact O-N 3.18Å; G246-A250 VanDerWaalsContact O-N 3.09Å; A247-A250 PolarHBondContact O-N 2.92Å; A250-I270 HydrophobicContact CB-CD1 3.63Å; A250-A273 HydrophobicContact CB-CB 3.81Å; A250-K280 WeakPolarHBondContact O-CD 3.48Å; A250-K280 VanDerWaalsContact O-CE 3.28Å; A250-K280 WeakPolarHBondContact O-CE 3.27Å; A250-K280 PolarHBondContact O-NZ 2.94Å
251	S	98.9	Very high	98.8	Very high	59 Å²	59	31 Å²	31	41%	0.413	19%	0.185	S	C	.	.	H	α-helix	trans	-99.4	0.8	179.8	-58.2	0	0	0	0	113.9	A247 A248 I249 E253 A273 S277	A247-S251 WeakPolarHBondContact O-CB 3.49Å; A247-S251 PolarHBondContact O-N 2.89Å; A247-S251 PolarHBondContact O-OG 3.02Å; A248-S251 PolarHBondContact O-N 3.34Å; I249-S251 VanDerWaalsContact C-N 3.27Å; I249-S251 PolarHBondContact O-N 2.84Å; S251-E253 PolarHBondContact O-N 3.12Å; S251-A273 WeakPolarHBondContact OG-CB 3.48Å; S251-S277 WeakPolarHBondContact O-CB 3.43Å
252	H	98.9	Very high	98.7	Very high	31 Å²	31	28.6 Å²	28.6	14%	0.144	18%	0.181	C	C	.	.			trans	-69.5	132.9	-177.2	-162.1	-79.2	0	0	0	110.9	D77 V80 A248 I249 D254 V255 K280	D77-H252 IonicContact OD1-CD2 3.54Å; D77-H252 PolarHBondContact OD1-CD2 3.16Å; D77-H252 VanDerWaalsContact OD1-CD2 3.23Å; D77-H252 IonicContact OD1-NE2 3.14Å; D77-H252 PolarHBondContact OD1-NE2 3.45Å; V80-H252 VanDerWaalsContact CG1-CE1 3.41Å; V80-H252 WeakPolarHBondContact CG1-CE1 3.37Å; A248-H252 VanDerWaalsContact O-CB 3.28Å; A248-H252 WeakPolarHBondContact O-CB 3.42Å; A248-H252 PolarHBondContact O-N 3.07Å; I249-H252 PolarHBondContact O-N 2.94Å; H252-D254 VanDerWaalsContact C-N 3.31Å; H252-D254 PolarHBondContact ND1-N 3.21Å; H252-D254 PolarHBondContact O-N 3.01Å; H252-V255 HydrophobicContact CB-CB 4.23Å; H252-V255 HydrophobicContact CB-CG2 3.72Å; H252-V255 PolarHBondContact O-N 3.4Å; H252-K280 VanDerWaalsContact O-CE 3.26Å; H252-K280 WeakPolarHBondContact O-CE 3.23Å; H252-K280 PolarHBondContact O-NZ 3.49Å
253	E	98.9	Very high	98.8	Very high	123 Å²	123	29.5 Å²	29.5	58%	0.575	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-25.3	-176.3	-67.5	-58.7	136.4	0	0	113.5	S251 S277 N278	S251-E253 PolarHBondContact O-N 3.12Å; E253-S277 WeakPolarHBondContact OE1-CA 3.4Å; E253-S277 WeakPolarHBondContact OE1-CB 3.33Å; E253-N278 PolarHBondContact O-ND2 3.39Å; E253-N278 WeakPolarHBondContact OE2-CB 3.44Å
254	D	98.9	Very high	98.8	Very high	58 Å²	58	24.4 Å²	24.4	31%	0.31	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	20.9	-179.1	-156.4	37.5	0	0	0	114	V80 R84 H252	V80-D254 HydrophobicContact CG1-CB 4Å; R84-D254 WeakPolarHBondContact CG-OD2 3.35Å; R84-D254 IonicContact CZ-OD1 2.64Å; R84-D254 VanDerWaalsContact CZ-OD1 3.25Å; R84-D254 IonicContact CZ-OD2 3.77Å; R84-D254 VanDerWaalsContact NE-CG 3.27Å; R84-D254 IonicContact NE-OD1 3.23Å; R84-D254 PolarHBondContact NE-OD1 2.88Å; R84-D254 IonicContact NE-OD2 3.25Å; R84-D254 PolarHBondContact NE-OD2 3.28Å; R84-D254 PolarHBondContact NH2-O 3.41Å; R84-D254 VanDerWaalsContact NH2-O 3.08Å; R84-D254 IonicContact NH2-OD1 4Å; R84-D254 PolarHBondContact NH2-OD1 3.33Å; R84-D254 IonicContact NH2-OD2 2.85Å; H252-D254 VanDerWaalsContact C-N 3.31Å; H252-D254 PolarHBondContact ND1-N 3.21Å; H252-D254 PolarHBondContact O-N 3.01Å
255	V	98.9	Very high	98.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.			trans	-102.2	120.3	169.3	168.8	0	0	0	0	108.2	V80 V178 H252 K257 N278 K280	V80-V255 HydrophobicContact CG1-CG2 4.34Å; V80-V255 HydrophobicContact CG2-CG2 3.7Å; V178-V255 HydrophobicContact CG1-CG2 4.21Å; H252-V255 HydrophobicContact CB-CB 4.23Å; H252-V255 HydrophobicContact CB-CG2 3.72Å; H252-V255 PolarHBondContact O-N 3.4Å; V255-K257 WeakPolarHBondContact CG1-O 3.34Å; V255-N278 PolarHBondContact O-ND2 2.99Å; V255-K280 HydrophobicContact CG1-CD 4.14Å; V255-K280 VanDerWaalsContact O-CB 3.29Å; V255-K280 WeakPolarHBondContact O-CB 3.39Å; V255-K280 VanDerWaalsContact O-CE 3.29Å; V255-K280 WeakPolarHBondContact O-CE 3.28Å
256	D	98.9	Very high	98.8	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.203	19%	0.186	C	C	.	.			trans	-82.7	-27	-171.4	-54.2	-50.6	0	0	0	112.5	R84 V176 G177 V178 K280 R281	R84-D256 IonicContact CZ-OD1 3.86Å; R84-D256 IonicContact CZ-OD2 3.71Å; R84-D256 IonicContact NH1-OD1 2.68Å; R84-D256 IonicContact NH1-OD2 3.02Å; R84-D256 PolarHBondContact NH1-OD2 3.47Å; R84-D256 VanDerWaalsContact NH2-CG 3.33Å; R84-D256 IonicContact NH2-OD1 3.36Å; R84-D256 PolarHBondContact NH2-OD1 3.01Å; R84-D256 IonicContact NH2-OD2 2.91Å; R84-D256 PolarHBondContact NH2-OD2 3.28Å; R84-D256 VanDerWaalsContact NH2-OD2 3.11Å; V176-D256 HydrophobicContact CG2-CB 4.42Å; G177-D256 WeakPolarHBondContact CA-OD2 3.35Å; V178-D256 PolarHBondContact N-OD2 2.89Å; V178-D256 PolarHBondContact O-N 3.06Å; D256-K280 WeakPolarHBondContact O-CA 3.41Å; D256-K280 WeakPolarHBondContact O-CB 3.41Å; D256-R281 PolarHBondContact O-N 3.34Å; D256-R281 VanDerWaalsContact O-N 3.11Å
257	K	98.9	Very high	98.8	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143	179.6	168.2	170.4	175.3	48.4	0	111.4	V176 V178 C179 G180 V255 R281 T283 A501 Y502	V176-K257 HydrophobicContact CG1-CB 3.95Å; V176-K257 HydrophobicContact CG1-CD 3.94Å; V176-K257 HydrophobicContact CG2-CB 4.07Å; V178-K257 PolarHBondContact O-N 3.12Å; C179-K257 CarbonylContact C-O 3.58Å; C179-K257 WeakPolarHBondContact CA-O 3.35Å; G180-K257 PolarHBondContact N-O 3.03Å; V255-K257 WeakPolarHBondContact CG1-O 3.34Å; K257-R281 CarbonylContact C-O 3.48Å; K257-R281 WeakPolarHBondContact CA-O 3.19Å; K257-R281 HydrophobicContact CB-CB 4.26Å; K257-R281 HydrophobicContact CG-CB 4.33Å; K257-T283 PolarHBondContact NZ-OG1 2.84Å; K257-A501 WeakPolarHBondContact CD-O 3.48Å; K257-A501 WeakPolarHBondContact CE-O 3.17Å; K257-Y502 HydrophobicContact CD-CD1 4.1Å; K257-Y502 HydrophobicContact CD-CE1 4.18Å
258	V	98.9	Very high	98.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.6	162.3	65.1	0	0	0	0	111.4	G180 I182 I270 K280 R281 V282 T283	G180-V258 CarbonylContact O-C 3.6Å; G180-V258 VanDerWaalsContact O-CA 3.25Å; G180-V258 WeakPolarHBondContact O-CA 3.21Å; I182-V258 HydrophobicContact CD1-CG2 4.26Å; V258-I270 HydrophobicContact CG1-CG2 3.8Å; V258-I270 HydrophobicContact CG2-CG2 4.04Å; V258-K280 HydrophobicContact CB-CD 4Å; V258-K280 HydrophobicContact CG1-CD 3.91Å; V258-K280 HydrophobicContact CG1-CG 4.27Å; V258-R281 PolarHBondContact N-O 2.93Å; V258-V282 HydrophobicContact CG1-CB 4.28Å; V258-V282 HydrophobicContact CG1-CG1 4.15Å; V258-V282 HydrophobicContact CG1-CG2 3.85Å; V258-V282 WeakPolarHBondContact O-CA 3.34Å; V258-T283 PolarHBondContact O-N 3.18Å; V258-T283 VanDerWaalsContact O-N 3.13Å
259	A	98.9	Very high	98.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.6	167.7	0	0	0	0	0	108.3	G180 Q181 I182 K195 Y502	G180-A259 PolarHBondContact O-N 3.39Å; Q181-A259 WeakPolarHBondContact CA-O 3.26Å; I182-A259 PolarHBondContact N-O 2.87Å; K195-A259 HydrophobicContact CD-CB 4.05Å; A259-Y502 WeakPolarHBondContact CB-OH 3.4Å
260	F	98.9	Very high	98.8	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.057	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.9	-176.4	171.1	-93.9	0	0	0	110.6	I182 I266 I270 T283 L284 E285 L286	I182-F260 HydrophobicContact CB-CD2 3.87Å; I182-F260 HydrophobicContact CG2-CD2 3.72Å; I182-F260 HydrophobicContact CG2-CE2 3.99Å; F260-I266 HydrophobicContact CE1-CB 4.35Å; F260-I266 HydrophobicContact CE1-CG2 4.31Å; F260-I266 HydrophobicContact CE2-CB 4.34Å; F260-I266 HydrophobicContact CE2-CG2 3.58Å; F260-I266 HydrophobicContact CZ-CB 3.7Å; F260-I266 HydrophobicContact CZ-CG2 3.46Å; F260-I266 VanDerWaalsContact CZ-CG2 3.46Å; F260-I270 HydrophobicContact CB-CG1 4.11Å; F260-I270 HydrophobicContact CB-CG2 4.14Å; F260-I270 HydrophobicContact CD1-CG1 4.35Å; F260-I270 HydrophobicContact CD2-CD1 4.13Å; F260-I270 HydrophobicContact CD2-CG1 3.78Å; F260-I270 HydrophobicContact CE2-CG1 4.31Å; F260-I270 HydrophobicContact CG-CG1 3.81Å; F260-T283 PolarHBondContact N-O 3.26Å; F260-L284 HydrophobicContact CB-CD2 3.93Å; F260-L284 HydrophobicContact CD1-CD2 4.15Å; F260-L284 HydrophobicContact CG-CD2 4.46Å; F260-L284 WeakPolarHBondContact O-CA 3.33Å; F260-E285 PolarHBondContact O-N 2.92Å; F260-L286 HydrophobicContact CD1-CD2 3.72Å; F260-L286 HydrophobicContact CE1-CD2 3.63Å
261	T	98.8	Very high	98.8	Very high	12 Å²	12	47.8 Å²	47.8	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.2	165.9	-56.7	0	0	0	0	109.6	I182 P184 M191 K195 E285	I182-T261 PolarHBondContact O-N 3.48Å; P184-T261 WeakPolarHBondContact CD-O 3.44Å; P184-T261 HydrophobicContact CG-CG2 3.85Å; M191-T261 HydrophobicContact SD-CG2 4.08Å; K195-T261 WeakPolarHBondContact CE-OG1 3.14Å; K195-T261 PolarHBondContact NZ-OG1 2.64Å; T261-E285 CarbonylContact C-O 3.44Å; T261-E285 WeakPolarHBondContact CA-O 3.29Å; T261-E285 HydrophobicContact CG2-CB 3.87Å; T261-E285 WeakPolarHBondContact OG1-CB 3.24Å
262	G	98.3	Very high	98.8	Very high	22 Å²	22	49.4 Å²	49.4	23%	0.227	25%	0.251	C	S	.	.	S	Bend	trans	161.8	-151.9	-178.2	0	0	0	0	0	113	E285 L286	G262-E285 PolarHBondContact N-O 3.06Å; G262-L286 CarbonylContact O-C 3.54Å; G262-L286 VanDerWaalsContact O-CA 3.27Å; G262-L286 WeakPolarHBondContact O-CA 3.26Å
263	S	98.4	Very high	98.8	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	25%	0.25	S	S	.	.			trans	-71.5	149.5	-176.8	74.4	0	0	0	0	112.3	E265 I266 G267	S263-E265 PolarHBondContact O-N 2.83Å; S263-I266 PolarHBondContact O-N 2.84Å; S263-I266 WeakPolarHBondContact OG-CG1 3.24Å; S263-I266 PolarHBondContact OG-N 2.73Å; S263-G267 PolarHBondContact O-N 3.37Å
264	T	98.4	Very high	98.8	Very high	11 Å²	11	43 Å²	43	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-34.6	176.6	-52.4	0	0	0	0	113	G267 R268 L286 G287 Y442 M487	T264-G267 PolarHBondContact O-N 3.01Å; T264-R268 PolarHBondContact O-N 3.32Å; T264-L286 HydrophobicContact CG2-CD1 4.33Å; T264-G287 PolarHBondContact OG1-N 2.76Å; T264-Y442 HydrophobicContact CG2-CE1 4.32Å; T264-Y442 WeakPolarHBondContact OG1-CE1 3.47Å; T264-M487 HydrophobicContact CG2-CB 4.11Å; T264-M487 HydrophobicContact CG2-CE 3.6Å; T264-M487 WeakPolarHBondContact CG2-O 3.46Å
265	E	98.4	Very high	98.7	Very high	144 Å²	144	42.3 Å²	42.3	67%	0.673	23%	0.231	S	C	*	.	H	α-helix	trans	-59.3	-51.7	174.8	-178.7	-178	-174.1	0	0	111.2	S263 R268	S263-E265 PolarHBondContact O-N 2.83Å; E265-R268 PolarHBondContact O-N 3.08Å
266	I	98.6	Very high	98.7	Very high	66 Å²	66	47.1 Å²	47.1	34%	0.338	26%	0.264	S	S	.	.	H	α-helix	trans	-71	-34	179.5	-59.6	-56.3	0	0	0	111.1	F260 S263 R268 L269 I270	F260-I266 HydrophobicContact CE1-CB 4.35Å; F260-I266 HydrophobicContact CE1-CG2 4.31Å; F260-I266 HydrophobicContact CE2-CB 4.34Å; F260-I266 HydrophobicContact CE2-CG2 3.58Å; F260-I266 HydrophobicContact CZ-CB 3.7Å; F260-I266 HydrophobicContact CZ-CG2 3.46Å; F260-I266 VanDerWaalsContact CZ-CG2 3.46Å; S263-I266 PolarHBondContact O-N 2.84Å; S263-I266 WeakPolarHBondContact OG-CG1 3.24Å; S263-I266 PolarHBondContact OG-N 2.73Å; I266-R268 PolarHBondContact O-N 3.5Å; I266-L269 HydrophobicContact CD1-CD1 3.89Å; I266-L269 WeakPolarHBondContact O-CA 3.33Å; I266-L269 WeakPolarHBondContact O-CB 3.41Å; I266-L269 PolarHBondContact O-N 2.89Å; I266-I270 HydrophobicContact CG2-CG1 4.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.4Å; I266-I270 PolarHBondContact O-N 3.47Å
267	G	98.8	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.8	-39.2	174	0	0	0	0	0	113.4	S263 T264 I270 Q271	S263-G267 PolarHBondContact O-N 3.37Å; T264-G267 PolarHBondContact O-N 3.01Å; G267-I270 PolarHBondContact O-N 3.13Å; G267-Q271 PolarHBondContact O-N 3.05Å; G267-Q271 VanDerWaalsContact O-N 3.1Å
268	R	98.8	Very high	98.7	Very high	154 Å²	154	48.7 Å²	48.7	58%	0.581	28%	0.275	S	S	*	.	H	α-helix	trans	-63.1	-44.4	173.2	-69.9	171.3	167.6	174.5	-8.3	111.8	T264 E265 I266 I270 Q271 V272 M487	T264-R268 PolarHBondContact O-N 3.32Å; E265-R268 PolarHBondContact O-N 3.08Å; I266-R268 PolarHBondContact O-N 3.5Å; R268-I270 VanDerWaalsContact C-N 3.33Å; R268-I270 PolarHBondContact O-N 3.4Å; R268-Q271 PolarHBondContact O-N 2.95Å; R268-V272 WeakPolarHBondContact O-CG2 3.49Å; R268-V272 PolarHBondContact O-N 3.38Å; R268-M487 VanDerWaalsContact CZ-CE 3.43Å
269	L	98.8	Very high	98.7	Very high	104 Å²	104	55.1 Å²	55.1	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-39.1	178.5	-59.9	-178.5	0	0	0	111.8	I266 V272 A273	I266-L269 HydrophobicContact CD1-CD1 3.89Å; I266-L269 WeakPolarHBondContact O-CA 3.33Å; I266-L269 WeakPolarHBondContact O-CB 3.41Å; I266-L269 PolarHBondContact O-N 2.89Å; L269-V272 PolarHBondContact O-N 2.87Å; L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.09Å; L269-A273 PolarHBondContact O-N 3.34Å
270	I	98.9	Very high	98.7	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.046	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-46.7	174.1	-64.9	-64.2	0	0	0	110.8	I182 A250 V258 F260 I266 G267 R268 A273 A274 V282 L284	I182-I270 HydrophobicContact CD1-CD1 3.75Å; A250-I270 HydrophobicContact CB-CD1 3.63Å; V258-I270 HydrophobicContact CG1-CG2 3.8Å; V258-I270 HydrophobicContact CG2-CG2 4.04Å; F260-I270 HydrophobicContact CB-CG1 4.11Å; F260-I270 HydrophobicContact CB-CG2 4.14Å; F260-I270 HydrophobicContact CD1-CG1 4.35Å; F260-I270 HydrophobicContact CD2-CD1 4.13Å; F260-I270 HydrophobicContact CD2-CG1 3.78Å; F260-I270 HydrophobicContact CE2-CG1 4.31Å; F260-I270 HydrophobicContact CG-CG1 3.81Å; I266-I270 HydrophobicContact CG2-CG1 4.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.4Å; I266-I270 PolarHBondContact O-N 3.47Å; G267-I270 PolarHBondContact O-N 3.13Å; R268-I270 VanDerWaalsContact C-N 3.33Å; R268-I270 PolarHBondContact O-N 3.4Å; I270-A273 PolarHBondContact O-N 3.39Å; I270-A274 WeakPolarHBondContact O-CB 3.46Å; I270-A274 PolarHBondContact O-N 3.39Å; I270-V282 HydrophobicContact CG2-CG1 4.32Å; I270-L284 HydrophobicContact CB-CD2 4.31Å; I270-L284 HydrophobicContact CG2-CD2 4.05Å
271	Q	98.8	Very high	98.7	Very high	111 Å²	111	60.2 Å²	60.2	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-38.1	-179.6	-171.7	164.4	-3.6	0	0	112.5	G267 R268 G275 L284	G267-Q271 PolarHBondContact O-N 3.05Å; G267-Q271 VanDerWaalsContact O-N 3.1Å; R268-Q271 PolarHBondContact O-N 2.95Å; Q271-G275 PolarHBondContact O-N 3.03Å; Q271-L284 HydrophobicContact CB-CD1 4.43Å
272	V	98.9	Very high	98.7	Very high	93 Å²	93	61.4 Å²	61.4	56%	0.564	33%	0.334	S	S	*	.	H	α-helix	trans	-62.3	-49.7	172.6	170.4	0	0	0	0	110.5	R268 L269 A274 G275 S276	R268-V272 WeakPolarHBondContact O-CG2 3.49Å; R268-V272 PolarHBondContact O-N 3.38Å; L269-V272 PolarHBondContact O-N 2.87Å; V272-A274 VanDerWaalsContact C-N 3.3Å; V272-A274 PolarHBondContact O-N 2.94Å; V272-G275 PolarHBondContact O-N 3.19Å; V272-G275 VanDerWaalsContact O-N 3.08Å; V272-S276 WeakPolarHBondContact O-CB 3.38Å; V272-S276 PolarHBondContact O-N 3.08Å; V272-S276 PolarHBondContact O-OG 3.23Å
273	A	98.8	Very high	98.7	Very high	16 Å²	16	61.3 Å²	61.3	13%	0.132	33%	0.329	C	S	.	.	H	α-helix	trans	-57.1	-42.2	178.6	0	0	0	0	0	112.4	A250 S251 L269 I270 S276 S277	A250-A273 HydrophobicContact CB-CB 3.81Å; S251-A273 WeakPolarHBondContact OG-CB 3.48Å; L269-A273 VanDerWaalsContact O-CB 3.29Å; L269-A273 WeakPolarHBondContact O-CB 3.09Å; L269-A273 PolarHBondContact O-N 3.34Å; I270-A273 PolarHBondContact O-N 3.39Å; A273-S276 PolarHBondContact O-N 3.14Å; A273-S277 WeakPolarHBondContact O-CB 3.03Å; A273-S277 PolarHBondContact O-N 2.93Å; A273-S277 VanDerWaalsContact O-N 3.12Å; A273-S277 PolarHBondContact O-OG 3.19Å
274	A	98.8	Very high	98.8	Very high	2 Å²	2	59.3 Å²	59.3	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-44.7	174.6	0	0	0	0	0	112.3	I270 V272 S276 S277 L279 K280 V282	I270-A274 WeakPolarHBondContact O-CB 3.46Å; I270-A274 PolarHBondContact O-N 3.39Å; V272-A274 VanDerWaalsContact C-N 3.3Å; V272-A274 PolarHBondContact O-N 2.94Å; A274-S276 VanDerWaalsContact C-N 3.34Å; A274-S276 PolarHBondContact O-N 2.87Å; A274-S277 PolarHBondContact O-N 2.93Å; A274-S277 PolarHBondContact O-OG 3.08Å; A274-L279 WeakPolarHBondContact O-CA 3.48Å; A274-L279 PolarHBondContact O-N 3.5Å; A274-L279 VanDerWaalsContact O-N 3.07Å; A274-K280 HydrophobicContact CB-CD 4.27Å; A274-K280 HydrophobicContact CB-CG 3.6Å; A274-V282 HydrophobicContact CB-CG2 3.36Å
275	G	98.7	Very high	98.8	Very high	45 Å²	45	59.4 Å²	59.4	46%	0.464	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-32.8	177.5	0	0	0	0	0	114	Q271 V272 L279	Q271-G275 PolarHBondContact O-N 3.03Å; V272-G275 PolarHBondContact O-N 3.19Å; V272-G275 VanDerWaalsContact O-N 3.08Å; G275-L279 WeakPolarHBondContact O-CD2 3.13Å
276	S	98.7	Very high	98.8	Very high	100 Å²	100	53 Å²	53	70%	0.699	29%	0.285	S	S	*	.	H	α-helix	trans	-87.5	-8.6	-178.8	-61	0	0	0	0	114.6	V272 A273 A274	V272-S276 WeakPolarHBondContact O-CB 3.38Å; V272-S276 PolarHBondContact O-N 3.08Å; V272-S276 PolarHBondContact O-OG 3.23Å; A273-S276 PolarHBondContact O-N 3.14Å; A274-S276 VanDerWaalsContact C-N 3.34Å; A274-S276 PolarHBondContact O-N 2.87Å
277	S	98.8	Very high	98.7	Very high	25 Å²	25	50 Å²	50	18%	0.175	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-108.3	177.5	52.1	0	0	0	0	110.5	S251 E253 A273 A274 K280	S251-S277 WeakPolarHBondContact O-CB 3.43Å; E253-S277 WeakPolarHBondContact OE1-CA 3.4Å; E253-S277 WeakPolarHBondContact OE1-CB 3.33Å; A273-S277 WeakPolarHBondContact O-CB 3.03Å; A273-S277 PolarHBondContact O-N 2.93Å; A273-S277 VanDerWaalsContact O-N 3.12Å; A273-S277 PolarHBondContact O-OG 3.19Å; A274-S277 PolarHBondContact O-N 2.93Å; A274-S277 PolarHBondContact O-OG 3.08Å; S277-K280 PolarHBondContact OG-NZ 2.88Å
278	N	98.8	Very high	98.7	Very high	47 Å²	47	50.1 Å²	50.1	25%	0.251	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	13.7	-170.7	70	-17.7	0	0	0	114.2	E253 V255 K280	E253-N278 PolarHBondContact O-ND2 3.39Å; E253-N278 WeakPolarHBondContact OE2-CB 3.44Å; V255-N278 PolarHBondContact O-ND2 2.99Å; N278-K280 PolarHBondContact O-N 3.05Å; N278-K280 VanDerWaalsContact OD1-CB 3.24Å; N278-K280 WeakPolarHBondContact OD1-CB 3.26Å; N278-K280 WeakPolarHBondContact OD1-CE 3.45Å; N278-K280 PolarHBondContact OD1-N 3.15Å; N278-K280 VanDerWaalsContact OD1-N 3.09Å; N278-K280 PolarHBondContact OD1-NZ 3.43Å
279	L	98.8	Very high	98.7	Very high	135 Å²	135	42.9 Å²	42.9	71%	0.707	24%	0.244	S	C	*	.			trans	58	30.3	-175.4	-54.5	175.6	0	0	0	113.7	A274 G275	A274-L279 WeakPolarHBondContact O-CA 3.48Å; A274-L279 PolarHBondContact O-N 3.5Å; A274-L279 VanDerWaalsContact O-N 3.07Å; G275-L279 WeakPolarHBondContact O-CD2 3.13Å
280	K	98.8	Very high	98.7	Very high	8 Å²	8	38 Å²	38	4%	0.035	22%	0.219	C	C	.	.			trans	-49.6	145.7	174.4	61.1	179.9	65.4	60.5	0	111.8	A250 H252 V255 D256 V258 A274 S277 N278 V282	A250-K280 WeakPolarHBondContact O-CD 3.48Å; A250-K280 VanDerWaalsContact O-CE 3.28Å; A250-K280 WeakPolarHBondContact O-CE 3.27Å; A250-K280 PolarHBondContact O-NZ 2.94Å; H252-K280 VanDerWaalsContact O-CE 3.26Å; H252-K280 WeakPolarHBondContact O-CE 3.23Å; H252-K280 PolarHBondContact O-NZ 3.49Å; V255-K280 HydrophobicContact CG1-CD 4.14Å; V255-K280 VanDerWaalsContact O-CB 3.29Å; V255-K280 WeakPolarHBondContact O-CB 3.39Å; V255-K280 VanDerWaalsContact O-CE 3.29Å; V255-K280 WeakPolarHBondContact O-CE 3.28Å; D256-K280 WeakPolarHBondContact O-CA 3.41Å; D256-K280 WeakPolarHBondContact O-CB 3.41Å; V258-K280 HydrophobicContact CB-CD 4Å; V258-K280 HydrophobicContact CG1-CD 3.91Å; V258-K280 HydrophobicContact CG1-CG 4.27Å; A274-K280 HydrophobicContact CB-CD 4.27Å; A274-K280 HydrophobicContact CB-CG 3.6Å; S277-K280 PolarHBondContact OG-NZ 2.88Å; N278-K280 PolarHBondContact O-N 3.05Å; N278-K280 VanDerWaalsContact OD1-CB 3.24Å; N278-K280 WeakPolarHBondContact OD1-CB 3.26Å; N278-K280 WeakPolarHBondContact OD1-CE 3.45Å; N278-K280 PolarHBondContact OD1-N 3.15Å; N278-K280 VanDerWaalsContact OD1-N 3.09Å; N278-K280 PolarHBondContact OD1-NZ 3.43Å; K280-V282 WeakPolarHBondContact O-CG2 3.24Å
281	R	98.9	Very high	98.7	Very high	113 Å²	113	38 Å²	38	43%	0.426	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.1	176.7	-72.9	152.9	-172.6	67.3	5.8	110	D256 K257 V258 E504	D256-R281 PolarHBondContact O-N 3.34Å; D256-R281 VanDerWaalsContact O-N 3.11Å; K257-R281 CarbonylContact C-O 3.48Å; K257-R281 WeakPolarHBondContact CA-O 3.19Å; K257-R281 HydrophobicContact CB-CB 4.26Å; K257-R281 HydrophobicContact CG-CB 4.33Å; V258-R281 PolarHBondContact N-O 2.93Å; R281-E504 IonicContact CZ-OE1 2.69Å; R281-E504 IonicContact CZ-OE2 2.63Å; R281-E504 IonicContact NE-OE1 2.82Å; R281-E504 IonicContact NE-OE2 2.62Å; R281-E504 PolarHBondContact NE-OE2 3.16Å; R281-E504 IonicContact NH1-OE2 3.95Å; R281-E504 IonicContact NH2-OE1 3.38Å; R281-E504 PolarHBondContact NH2-OE1 3.11Å; R281-E504 IonicContact NH2-OE2 2.64Å; R281-E504 PolarHBondContact NH2-OE2 3.26Å
282	V	98.9	Very high	98.7	Very high	37 Å²	37	32.8 Å²	32.8	22%	0.224	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.1	-177.3	-173.9	0	0	0	0	109.8	V258 I270 A274 K280 L284	V258-V282 HydrophobicContact CG1-CB 4.28Å; V258-V282 HydrophobicContact CG1-CG1 4.15Å; V258-V282 HydrophobicContact CG1-CG2 3.85Å; V258-V282 WeakPolarHBondContact O-CA 3.34Å; I270-V282 HydrophobicContact CG2-CG1 4.32Å; A274-V282 HydrophobicContact CB-CG2 3.36Å; K280-V282 WeakPolarHBondContact O-CG2 3.24Å; V282-L284 HydrophobicContact CG1-CD1 4.4Å; V282-L284 HydrophobicContact CG1-CD2 3.59Å; V282-L284 HydrophobicContact CG1-CG 3.79Å
283	T	98.9	Very high	98.7	Very high	20 Å²	20	28.3 Å²	28.3	12%	0.123	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.9	159.6	50.4	0	0	0	0	109.3	K257 V258 F260 S490 A501	K257-T283 PolarHBondContact NZ-OG1 2.84Å; V258-T283 PolarHBondContact O-N 3.18Å; V258-T283 VanDerWaalsContact O-N 3.13Å; F260-T283 PolarHBondContact N-O 3.26Å; T283-S490 WeakPolarHBondContact CA-O 3.41Å; T283-A501 HydrophobicContact CG2-CB 3.59Å
284	L	98.9	Very high	98.7	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.4	-173.5	-57.6	178.7	0	0	0	109.8	F260 I270 Q271 V282 L286 G489 S490	F260-L284 HydrophobicContact CB-CD2 3.93Å; F260-L284 HydrophobicContact CD1-CD2 4.15Å; F260-L284 HydrophobicContact CG-CD2 4.46Å; F260-L284 WeakPolarHBondContact O-CA 3.33Å; I270-L284 HydrophobicContact CB-CD2 4.31Å; I270-L284 HydrophobicContact CG2-CD2 4.05Å; Q271-L284 HydrophobicContact CB-CD1 4.43Å; V282-L284 HydrophobicContact CG1-CD1 4.4Å; V282-L284 HydrophobicContact CG1-CD2 3.59Å; V282-L284 HydrophobicContact CG1-CG 3.79Å; L284-L286 HydrophobicContact CB-CD1 3.99Å; L284-L286 HydrophobicContact CB-CD2 4.02Å; L284-L286 HydrophobicContact CB-CG 3.9Å; L284-L286 HydrophobicContact CD1-CD1 4.15Å; L284-G489 CarbonylContact O-C 3.5Å; L284-G489 WeakPolarHBondContact O-CA 3.35Å; L284-S490 PolarHBondContact N-O 2.8Å; L284-S490 PolarHBondContact O-N 3.02Å
285	E	98.8	Very high	98.7	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.5	167.9	-73.2	-61.3	152.1	0	0	108.3	F260 T261 G262 G483 E493	F260-E285 PolarHBondContact O-N 2.92Å; T261-E285 CarbonylContact C-O 3.44Å; T261-E285 WeakPolarHBondContact CA-O 3.29Å; T261-E285 HydrophobicContact CG2-CB 3.87Å; T261-E285 WeakPolarHBondContact OG1-CB 3.24Å; G262-E285 PolarHBondContact N-O 3.06Å; E285-G483 WeakPolarHBondContact OE1-CA 3.22Å; E285-G483 WeakPolarHBondContact OE2-CA 3.07Å; E285-E493 HydrophobicContact CG-CG 4.01Å
286	L	98.7	Very high	98.7	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.058	15%	0.154	C	C	.	.			trans	-115.3	-171.1	-164	-52.1	174.9	0	0	0	112.3	F260 G262 T264 L284 M487 S488	F260-L286 HydrophobicContact CD1-CD2 3.72Å; F260-L286 HydrophobicContact CE1-CD2 3.63Å; G262-L286 CarbonylContact O-C 3.54Å; G262-L286 VanDerWaalsContact O-CA 3.27Å; G262-L286 WeakPolarHBondContact O-CA 3.26Å; T264-L286 HydrophobicContact CG2-CD1 4.33Å; L284-L286 HydrophobicContact CB-CD1 3.99Å; L284-L286 HydrophobicContact CB-CD2 4.02Å; L284-L286 HydrophobicContact CB-CG 3.9Å; L284-L286 HydrophobicContact CD1-CD1 4.15Å; L286-M487 WeakPolarHBondContact CD1-O 3.41Å; L286-S488 WeakPolarHBondContact CA-O 3.49Å; L286-S488 WeakPolarHBondContact CB-O 3.37Å; L286-S488 PolarHBondContact N-O 2.98Å
287	G	97.1	Very high	98.7	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.131	C	C	.	.			trans	-70.2	173.5	-178.9	0	0	0	0	0	113.8	T264 E416 Y442 S488	T264-G287 PolarHBondContact OG1-N 2.76Å; G287-E416 VanDerWaalsContact CA-OE1 3.28Å; G287-E416 WeakPolarHBondContact CA-OE1 3.38Å; G287-E416 WeakPolarHBondContact CA-OE2 3.47Å; G287-Y442 VanDerWaalsContact O-CD1 3.26Å; G287-Y442 WeakPolarHBondContact O-CD1 3.35Å; G287-S488 WeakPolarHBondContact O-CB 3.49Å; G287-S488 PolarHBondContact O-OG 3.07Å
288	G	98.4	Very high	98.7	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	13%	0.127	C	C	.	.			trans	-146.4	165.7	-178.1	0	0	0	0	0	115.1	C319 E416	G288-C319 WeakPolarHBondContact CA-O 3.27Å; G288-C319 PolarHBondContact N-O 3.36Å; G288-E416 PolarHBondContact N-OE1 2.94Å
289	K	98.8	Very high	98.7	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	13%	0.134	C	C	.	.			trans	-138.9	55.9	166.6	-162.1	77.3	-168.7	179.8	0	109.9	S323 R324 I412 A413 E415 Y442	K289-S323 VanDerWaalsContact CD-OG 3.31Å; K289-S323 WeakPolarHBondContact CD-OG 3.49Å; K289-S323 WeakPolarHBondContact CE-OG 3.46Å; K289-R324 HydrophobicContact CG-CG 4.01Å; K289-R324 PolarHBondContact O-NE 2.83Å; K289-R324 PolarHBondContact O-NH2 2.65Å; K289-I412 VanDerWaalsContact CE-O 3.24Å; K289-I412 WeakPolarHBondContact CE-O 3.49Å; K289-I412 PolarHBondContact NZ-O 3.18Å; K289-A413 WeakPolarHBondContact CE-O 3.02Å; K289-A413 WeakPolarHBondContact CG-O 3.44Å; K289-E415 VanDerWaalsContact CD-O 3.28Å; K289-E415 WeakPolarHBondContact CD-O 3.46Å; K289-E415 WeakPolarHBondContact CE-O 3.36Å; K289-E415 PolarHBondContact NZ-O 3.36Å; K289-Y442 HydrophobicContact CB-CD2 3.66Å; K289-Y442 HydrophobicContact CB-CE2 4.42Å; K289-Y442 HydrophobicContact CB-CG 4.43Å
290	S	98.9	Very high	98.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	11%	0.107	C	C	.	.			trans	-58.3	127.5	-168.3	-54.1	0	0	0	0	111.9	C320 A321 G322 S323 R324 A445 Y473	S290-C320 WeakPolarHBondContact CB-O 3.44Å; S290-C320 PolarHBondContact OG-O 3.44Å; S290-A321 WeakPolarHBondContact CB-O 3.33Å; S290-G322 CarbonylContact O-C 3.51Å; S290-S323 PolarHBondContact O-N 3.38Å; S290-R324 PolarHBondContact O-N 2.74Å; S290-A445 WeakPolarHBondContact CA-O 3.46Å; S290-A445 WeakPolarHBondContact CB-O 3.15Å; S290-A445 PolarHBondContact OG-O 2.78Å; S290-Y473 WeakPolarHBondContact CB-OH 3.44Å
291	P	98.9	Very high	98.7	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.058	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.6	172.4	30.8	-29.1	0	0	0	110.9	R324 F326 A437 A445 A446 A447	P291-R324 CarbonylContact C-O 3.58Å; P291-R324 WeakPolarHBondContact CA-O 3.24Å; P291-F326 HydrophobicContact CB-CD2 3.99Å; P291-F326 HydrophobicContact CB-CE2 3.85Å; P291-A437 HydrophobicContact CB-CB 3.81Å; P291-A437 HydrophobicContact CG-CB 3.78Å; P291-A445 WeakPolarHBondContact CD-O 3.13Å; P291-A446 HydrophobicContact CG-CB 3.86Å; P291-A446 CarbonylContact O-C 3.39Å; P291-A446 VanDerWaalsContact O-CA 3.23Å; P291-A446 WeakPolarHBondContact O-CA 3.42Å; P291-A447 PolarHBondContact O-N 2.93Å
292	N	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.5	170.7	-176.3	17.7	0	0	0	108.4	A307 R324 T325 F326 F449 Y473	N292-A307 WeakPolarHBondContact ND2-CA 3.47Å; N292-A307 WeakPolarHBondContact ND2-CB 3.28Å; N292-R324 PolarHBondContact N-O 2.73Å; N292-T325 CarbonylContact O-C 3.56Å; N292-T325 WeakPolarHBondContact O-CA 3.19Å; N292-F326 PolarHBondContact O-N 3.04Å; N292-F449 WeakPolarHBondContact OD1-CD2 3.36Å; N292-F449 VanDerWaalsContact OD1-CE2 3.26Å; N292-F449 WeakPolarHBondContact OD1-CE2 3.48Å; N292-Y473 HydrophobicContact CB-CD2 4.49Å; N292-Y473 HydrophobicContact CB-CE2 3.86Å
293	I	98.9	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.8	-168.9	-58.7	171.6	0	0	0	109.8	M295 F326 F427 V433 A437 A447 V448 F449 L459 L463	I293-M295 HydrophobicContact CG2-SD 3.76Å; I293-F326 CarbonylContact C-O 3.6Å; I293-F326 WeakPolarHBondContact CA-O 3.48Å; I293-F326 HydrophobicContact CG1-CB 4.33Å; I293-F427 HydrophobicContact CG2-CE1 4.1Å; I293-F427 HydrophobicContact CG2-CZ 3.94Å; I293-V433 HydrophobicContact CD1-CG1 4.29Å; I293-V433 HydrophobicContact CD1-CG2 3.91Å; I293-V433 HydrophobicContact CG1-CG2 3.9Å; I293-V433 HydrophobicContact CG2-CG1 4.07Å; I293-V433 HydrophobicContact CG2-CG2 3.98Å; I293-A437 HydrophobicContact CD1-CB 4.07Å; I293-A447 PolarHBondContact N-O 3.36Å; I293-V448 CarbonylContact O-C 3.6Å; I293-V448 WeakPolarHBondContact O-CA 3.33Å; I293-F449 PolarHBondContact O-N 3.19Å; I293-L459 HydrophobicContact CD1-CD2 4.49Å; I293-L463 HydrophobicContact CD1-CD1 4.18Å; I293-L463 HydrophobicContact CD1-CD2 3.94Å
294	I	98.9	Very high	98.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106.9	-179.4	-42.6	-56.6	0	0	0	109	A298 A303 T325 F326 V327 Q328 I331 F335 F427 F449	I294-A298 HydrophobicContact CG2-CB 3.92Å; I294-A303 HydrophobicContact CD1-CB 4.29Å; I294-A303 HydrophobicContact CG2-CB 3.76Å; I294-T325 HydrophobicContact CG1-CG2 4.17Å; I294-F326 PolarHBondContact N-O 3.03Å; I294-V327 HydrophobicContact CB-CG1 4.38Å; I294-V327 HydrophobicContact CB-CG2 4.26Å; I294-V327 HydrophobicContact CG1-CG2 4.12Å; I294-Q328 PolarHBondContact O-N 2.91Å; I294-Q328 VanDerWaalsContact O-N 3.07Å; I294-I331 HydrophobicContact CG2-CD1 3.92Å; I294-F335 HydrophobicContact CB-CE2 4.47Å; I294-F335 HydrophobicContact CD1-CE2 4.49Å; I294-F335 HydrophobicContact CG1-CE2 3.9Å; I294-F335 HydrophobicContact CG1-CZ 4.03Å; I294-F335 HydrophobicContact CG2-CD2 4.23Å; I294-F335 HydrophobicContact CG2-CE2 4.1Å; I294-F427 WeakPolarHBondContact O-CE1 3.32Å; I294-F449 HydrophobicContact CD1-CB 3.87Å; I294-F449 HydrophobicContact CD1-CD2 3.5Å; I294-F449 VanDerWaalsContact CD1-CD2 3.5Å; I294-F449 HydrophobicContact CD1-CE2 4.28Å; I294-F449 HydrophobicContact CD1-CG 3.79Å; I294-F449 HydrophobicContact CG2-CB 4.43Å
295	M	98.9	Very high	98.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.118	C	C	.	.			trans	-78.1	155.5	176.8	-53.8	-55.5	-67.7	0	0	110.7	I293 D297 A298 I331 F427 I430 F449 K455 L459	I293-M295 HydrophobicContact CG2-SD 3.76Å; M295-D297 VanDerWaalsContact CB-OD1 3.28Å; M295-D297 WeakPolarHBondContact CB-OD1 3.21Å; M295-D297 PolarHBondContact O-N 3.44Å; M295-D297 VanDerWaalsContact O-N 3.15Å; M295-A298 WeakPolarHBondContact O-CB 3.5Å; M295-A298 PolarHBondContact O-N 3.09Å; M295-I331 WeakPolarHBondContact O-CD1 3.49Å; M295-F427 HydrophobicContact CE-CE2 4.26Å; M295-F427 HydrophobicContact CE-CZ 4.35Å; M295-F427 HydrophobicContact SD-CE2 4.11Å; M295-F427 HydrophobicContact SD-CZ 3.69Å; M295-I430 HydrophobicContact CE-CB 4.25Å; M295-I430 HydrophobicContact CE-CD1 4.34Å; M295-I430 HydrophobicContact CE-CG1 4.17Å; M295-F449 WeakPolarHBondContact CB-O 3.14Å; M295-F449 WeakPolarHBondContact CG-O 3.33Å; M295-F449 PolarHBondContact N-O 3.34Å; M295-K455 HydrophobicContact CE-CD 4.06Å; M295-L459 HydrophobicContact CG-CD1 4.37Å; M295-L459 HydrophobicContact SD-CD1 3.94Å
296	S	98.8	Very high	98.7	Very high	43 Å²	43	22.1 Å²	22.1	30%	0.301	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22	-178.6	61.4	0	0	0	0	114.2	Q328	S296-Q328 VanDerWaalsContact CB-OE1 3.25Å; S296-Q328 PolarHBondContact OG-OE1 2.91Å
297	D	98.8	Very high	98.7	Very high	41 Å²	41	21.6 Å²	21.6	22%	0.219	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.5	176.2	67.8	-67.5	0	0	0	113.9	M295 T450 K451 D452 K455	M295-D297 VanDerWaalsContact CB-OD1 3.28Å; M295-D297 WeakPolarHBondContact CB-OD1 3.21Å; M295-D297 PolarHBondContact O-N 3.44Å; M295-D297 VanDerWaalsContact O-N 3.15Å; D297-T450 VanDerWaalsContact CG-OG1 3.32Å; D297-T450 PolarHBondContact OD1-OG1 3.19Å; D297-T450 VanDerWaalsContact OD1-OG1 3.12Å; D297-T450 PolarHBondContact OD2-OG1 3.5Å; D297-K451 VanDerWaalsContact O-CD 3.26Å; D297-K451 WeakPolarHBondContact O-CD 3.26Å; D297-K451 VanDerWaalsContact O-CG 3.27Å; D297-K451 WeakPolarHBondContact O-CG 3.48Å; D297-K451 PolarHBondContact OD2-N 3.09Å; D297-D452 PolarHBondContact OD2-N 2.78Å; D297-D452 VanDerWaalsContact OD2-N 3.09Å; D297-K455 IonicContact OD1-NZ 2.67Å; D297-K455 PolarHBondContact OD1-NZ 3.37Å
298	A	98.8	Very high	98.8	Very high	12 Å²	12	21.7 Å²	21.7	10%	0.099	12%	0.115	C	C	.	.	S	Bend	trans	-59.8	155.3	174.8	0	0	0	0	0	111.9	I294 M295 M300 A303 F449	I294-A298 HydrophobicContact CG2-CB 3.92Å; M295-A298 WeakPolarHBondContact O-CB 3.5Å; M295-A298 PolarHBondContact O-N 3.09Å; A298-M300 PolarHBondContact O-N 2.98Å; A298-A303 HydrophobicContact CB-CB 4.28Å; A298-F449 HydrophobicContact CB-CB 3.97Å
299	D	98.8	Very high	98.8	Very high	73 Å²	73	25 Å²	25	39%	0.39	13%	0.129	S	C	.	.			trans	-69	109.9	163	-175.3	-53.5	0	0	0	108.9	D301 W302 A303	D299-D301 PolarHBondContact OD1-N 3.41Å; D299-W302 HydrophobicContact CB-CB 3.89Å; D299-W302 PolarHBondContact O-N 2.9Å; D299-W302 WeakPolarHBondContact OD1-CB 3.38Å; D299-W302 PolarHBondContact OD1-N 3.32Å; D299-A303 WeakPolarHBondContact O-CB 3.4Å; D299-A303 PolarHBondContact O-N 2.93Å
300	M	98.8	Very high	98.8	Very high	29 Å²	29	25 Å²	25	14%	0.143	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-49.9	-172.8	175.9	58.6	73.4	0	0	112.7	A298 W302 A303 V304 I331 E334 F335	A298-M300 PolarHBondContact O-N 2.98Å; M300-W302 VanDerWaalsContact C-N 3.33Å; M300-W302 PolarHBondContact O-N 3.04Å; M300-A303 PolarHBondContact O-N 3.38Å; M300-V304 VanDerWaalsContact O-CG2 3.3Å; M300-V304 WeakPolarHBondContact O-CG2 3.4Å; M300-V304 PolarHBondContact O-N 3.39Å; M300-V304 HydrophobicContact SD-CG2 3.79Å; M300-I331 HydrophobicContact CE-CB 3.75Å; M300-I331 HydrophobicContact CE-CD1 4.18Å; M300-I331 HydrophobicContact CE-CG1 4.5Å; M300-I331 HydrophobicContact CE-CG2 4.3Å; M300-E334 HydrophobicContact CE-CB 4.19Å; M300-E334 HydrophobicContact CE-CG 4.09Å; M300-E334 HydrophobicContact SD-CG 4.4Å; M300-F335 HydrophobicContact CE-CB 4.23Å; M300-F335 HydrophobicContact SD-CB 4.07Å; M300-F335 HydrophobicContact SD-CD2 4Å
301	D	98.8	Very high	98.8	Very high	101 Å²	101	25 Å²	25	54%	0.54	13%	0.129	S	C	.	.	H	α-helix	trans	-64.2	-42.9	-176.7	-71.2	-24.2	0	0	0	110.6	D299 E305 R338	D299-D301 PolarHBondContact OD1-N 3.41Å; D301-E305 PolarHBondContact O-N 3.12Å; D301-R338 IonicContact OD1-CZ 3.53Å; D301-R338 IonicContact OD1-NH1 2.64Å; D301-R338 PolarHBondContact OD1-NH1 3.43Å; D301-R338 IonicContact OD1-NH2 3.96Å
302	W	98.7	Very high	98.8	Very high	66 Å²	66	24.6 Å²	24.6	25%	0.25	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-45.7	177.6	-177.9	-119.2	0	0	0	112.5	F16 D299 M300 V304 E305 Q306 F449 N471	F16-W302 HydrophobicContact CD1-CH2 4.31Å; F16-W302 AromaticContact CD2-CH2 3.23Å; F16-W302 HydrophobicContact CD2-CH2 3.23Å; F16-W302 HydrophobicContact CD2-CZ2 4.31Å; F16-W302 AromaticContact CD2-CZ3 3.52Å; F16-W302 HydrophobicContact CD2-CZ3 3.52Å; F16-W302 AromaticContact CE1-CH2 3.9Å; F16-W302 HydrophobicContact CE1-CH2 3.9Å; F16-W302 HydrophobicContact CE1-CZ2 4.2Å; F16-W302 HydrophobicContact CE2-CE3 4.37Å; F16-W302 AromaticContact CE2-CH2 2.77Å; F16-W302 HydrophobicContact CE2-CH2 2.77Å; F16-W302 AromaticContact CE2-CZ2 3.5Å; F16-W302 HydrophobicContact CE2-CZ2 3.5Å; F16-W302 AromaticContact CE2-CZ3 3.27Å; F16-W302 HydrophobicContact CE2-CZ3 3.27Å; F16-W302 HydrophobicContact CG-CH2 4.01Å; F16-W302 AromaticContact CZ-CH2 3.12Å; F16-W302 HydrophobicContact CZ-CH2 3.12Å; F16-W302 AromaticContact CZ-CZ2 3.39Å; F16-W302 HydrophobicContact CZ-CZ2 3.39Å; F16-W302 HydrophobicContact CZ-CZ3 4.07Å; D299-W302 HydrophobicContact CB-CB 3.89Å; D299-W302 PolarHBondContact O-N 2.9Å; D299-W302 WeakPolarHBondContact OD1-CB 3.38Å; D299-W302 PolarHBondContact OD1-N 3.32Å; M300-W302 VanDerWaalsContact C-N 3.33Å; M300-W302 PolarHBondContact O-N 3.04Å; W302-V304 PolarHBondContact O-N 3.06Å; W302-E305 PolarHBondContact O-N 3.02Å; W302-Q306 HydrophobicContact CD2-CG 3.81Å; W302-Q306 HydrophobicContact CE3-CG 4.13Å; W302-Q306 HydrophobicContact CG-CG 4.44Å; W302-Q306 HydrophobicContact CH2-CG 3.41Å; W302-Q306 VanDerWaalsContact CH2-CG 3.41Å; W302-Q306 HydrophobicContact CZ2-CG 3.21Å; W302-Q306 HydrophobicContact CZ3-CG 3.95Å; W302-Q306 WeakPolarHBondContact O-CB 3.46Å; W302-Q306 VanDerWaalsContact O-CG 3.32Å; W302-Q306 WeakPolarHBondContact O-CG 3.2Å; W302-Q306 PolarHBondContact O-N 3.21Å; W302-F449 AromaticContact CD1-CE1 3.91Å; W302-F449 AromaticContact NE1-CE1 3.79Å; W302-N471 PolarHBondContact NE1-O 3.41Å
303	A	98.8	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-40.2	-179.8	0	0	0	0	0	112.2	I294 A298 D299 M300 A307 F335 F449	I294-A303 HydrophobicContact CD1-CB 4.29Å; I294-A303 HydrophobicContact CG2-CB 3.76Å; A298-A303 HydrophobicContact CB-CB 4.28Å; D299-A303 WeakPolarHBondContact O-CB 3.4Å; D299-A303 PolarHBondContact O-N 2.93Å; M300-A303 PolarHBondContact O-N 3.38Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.22Å; A303-F335 HydrophobicContact CB-CE2 4.22Å; A303-F449 HydrophobicContact CB-CB 4.37Å; A303-F449 HydrophobicContact CB-CD1 4.07Å; A303-F449 HydrophobicContact CB-CG 4.33Å
304	V	98.9	Very high	98.8	Very high	9 Å²	9	26 Å²	26	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-49.3	176.5	169.9	0	0	0	0	111	M300 W302 Q306 A307 H308 F335 R338	M300-V304 VanDerWaalsContact O-CG2 3.3Å; M300-V304 WeakPolarHBondContact O-CG2 3.4Å; M300-V304 PolarHBondContact O-N 3.39Å; M300-V304 HydrophobicContact SD-CG2 3.79Å; W302-V304 PolarHBondContact O-N 3.06Å; V304-Q306 VanDerWaalsContact C-N 3.35Å; V304-Q306 PolarHBondContact O-N 2.91Å; V304-A307 PolarHBondContact O-N 2.99Å; V304-H308 WeakPolarHBondContact O-CB 3.37Å; V304-H308 PolarHBondContact O-N 3.14Å; V304-F335 HydrophobicContact CB-CE2 4.4Å; V304-F335 HydrophobicContact CG2-CD2 3.53Å; V304-F335 HydrophobicContact CG2-CE2 3.72Å; V304-F335 HydrophobicContact CG2-CG 4.15Å; V304-F335 HydrophobicContact CG2-CZ 4.48Å; V304-R338 HydrophobicContact CB-CB 4.48Å; V304-R338 HydrophobicContact CG1-CB 3.93Å; V304-R338 HydrophobicContact CG2-CB 3.9Å
305	E	98.8	Very high	98.8	Very high	50 Å²	50	26 Å²	26	23%	0.234	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-39.5	-179.4	-172.3	61.6	-154.6	0	0	111.4	D301 W302 H308 F309 R342	D301-E305 PolarHBondContact O-N 3.12Å; W302-E305 PolarHBondContact O-N 3.02Å; E305-H308 WeakPolarHBondContact O-CB 3.39Å; E305-H308 PolarHBondContact O-N 3.18Å; E305-F309 WeakPolarHBondContact O-CB 3.24Å; E305-F309 PolarHBondContact O-N 2.91Å; E305-R342 IonicContact OE1-CZ 3.57Å; E305-R342 IonicContact OE1-NE 3.67Å; E305-R342 PolarHBondContact OE1-NE 3.1Å; E305-R342 IonicContact OE1-NH2 2.73Å; E305-R342 PolarHBondContact OE1-NH2 3.34Å; E305-R342 WeakPolarHBondContact OE2-CD 3.22Å; E305-R342 IonicContact OE2-CZ 3.71Å; E305-R342 IonicContact OE2-NE 3.06Å; E305-R342 PolarHBondContact OE2-NE 3.07Å
306	Q	98.8	Very high	98.8	Very high	8 Å²	8	26 Å²	26	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-69.4	-39.6	177.1	-73.9	-65.8	-78.4	0	0	113	W302 V304 H308 F309 A310 F449 Y473	W302-Q306 HydrophobicContact CD2-CG 3.81Å; W302-Q306 HydrophobicContact CE3-CG 4.13Å; W302-Q306 HydrophobicContact CG-CG 4.44Å; W302-Q306 HydrophobicContact CH2-CG 3.41Å; W302-Q306 VanDerWaalsContact CH2-CG 3.41Å; W302-Q306 HydrophobicContact CZ2-CG 3.21Å; W302-Q306 HydrophobicContact CZ3-CG 3.95Å; W302-Q306 WeakPolarHBondContact O-CB 3.46Å; W302-Q306 VanDerWaalsContact O-CG 3.32Å; W302-Q306 WeakPolarHBondContact O-CG 3.2Å; W302-Q306 PolarHBondContact O-N 3.21Å; V304-Q306 VanDerWaalsContact C-N 3.35Å; V304-Q306 PolarHBondContact O-N 2.91Å; Q306-H308 VanDerWaalsContact C-N 3.3Å; Q306-H308 PolarHBondContact O-N 3.48Å; Q306-F309 PolarHBondContact O-N 2.85Å; Q306-A310 WeakPolarHBondContact O-CB 3.47Å; Q306-A310 PolarHBondContact O-N 3.41Å; Q306-F449 HydrophobicContact CB-CE1 3.58Å; Q306-F449 HydrophobicContact CB-CE2 4.46Å; Q306-F449 HydrophobicContact CB-CZ 3.41Å; Q306-F449 VanDerWaalsContact CB-CZ 3.41Å; Q306-F449 HydrophobicContact CG-CE1 3.8Å; Q306-F449 HydrophobicContact CG-CZ 3.94Å; Q306-Y473 VanDerWaalsContact OE1-N 3.11Å
307	A	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.7	-35.2	174.7	0	0	0	0	0	112	N292 A303 V304 L311 T325 F335 M422	N292-A307 WeakPolarHBondContact ND2-CA 3.47Å; N292-A307 WeakPolarHBondContact ND2-CB 3.28Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.22Å; V304-A307 PolarHBondContact O-N 2.99Å; A307-L311 PolarHBondContact O-N 2.83Å; A307-T325 HydrophobicContact CB-CG2 4.11Å; A307-F335 HydrophobicContact CB-CE2 4.38Å; A307-F335 HydrophobicContact CB-CZ 3.6Å; A307-M422 HydrophobicContact CB-CE 4.07Å
308	H	98.9	Very high	98.8	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-51.2	170.4	-178.7	80.5	0	0	0	110.8	V304 E305 Q306 L311 F312 R342	V304-H308 WeakPolarHBondContact O-CB 3.37Å; V304-H308 PolarHBondContact O-N 3.14Å; E305-H308 WeakPolarHBondContact O-CB 3.39Å; E305-H308 PolarHBondContact O-N 3.18Å; Q306-H308 VanDerWaalsContact C-N 3.3Å; Q306-H308 PolarHBondContact O-N 3.48Å; H308-L311 PolarHBondContact O-N 2.85Å; H308-F312 AromaticContact CE1-CD2 3.38Å; H308-F312 WeakPolarHBondContact CE1-CD2 2.95Å; H308-F312 AromaticContact CE1-CE2 3.87Å; H308-F312 AromaticContact CE1-CG 3.9Å; H308-F312 AromaticContact CG-CD2 3.86Å; H308-F312 AromaticContact ND1-CD2 3.21Å; H308-F312 WeakPolarHBondContact ND1-CD2 3.37Å; H308-F312 AromaticContact ND1-CE2 3.53Å; H308-F312 WeakPolarHBondContact O-CB 3.47Å; H308-F312 VanDerWaalsContact O-CD2 3.27Å; H308-F312 WeakPolarHBondContact O-CD2 3.31Å; H308-F312 PolarHBondContact O-N 2.97Å; H308-R342 HydrophobicContact CB-CG 3.99Å
309	F	98.8	Very high	98.7	Very high	73 Å²	73	23.1 Å²	23.1	32%	0.32	12%	0.115	S	C	.	.	H	α-helix	trans	-59.4	-49.9	177.5	179	-106.1	0	0	0	112.3	E305 Q306 L311 F312 F313 D474	E305-F309 WeakPolarHBondContact O-CB 3.24Å; E305-F309 PolarHBondContact O-N 2.91Å; Q306-F309 PolarHBondContact O-N 2.85Å; F309-L311 PolarHBondContact O-N 3.44Å; F309-F312 PolarHBondContact O-N 2.86Å; F309-F313 HydrophobicContact CD2-CB 4.15Å; F309-F313 HydrophobicContact CD2-CD2 4.36Å; F309-F313 HydrophobicContact CE2-CB 3.94Å; F309-F313 AromaticContact CE2-CD2 3.46Å; F309-F313 HydrophobicContact CE2-CD2 3.46Å; F309-F313 VanDerWaalsContact CE2-CD2 3.46Å; F309-F313 HydrophobicContact CE2-CE2 4.17Å; F309-F313 AromaticContact CE2-CG 3.83Å; F309-F313 HydrophobicContact CE2-CG 3.83Å; F309-F313 HydrophobicContact CZ-CB 4.23Å; F309-F313 HydrophobicContact CZ-CD1 4.45Å; F309-F313 AromaticContact CZ-CD2 3.78Å; F309-F313 HydrophobicContact CZ-CD2 3.78Å; F309-F313 HydrophobicContact CZ-CE2 4.26Å; F309-F313 AromaticContact CZ-CG 3.9Å; F309-F313 HydrophobicContact CZ-CG 3.9Å; F309-F313 WeakPolarHBondContact O-CB 3.23Å; F309-F313 PolarHBondContact O-N 3.36Å; F309-D474 HydrophobicContact CD1-CB 4.45Å; F309-D474 HydrophobicContact CE1-CB 3.71Å; F309-D474 HydrophobicContact CZ-CB 4.48Å
310	A	98.8	Very high	98.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-50.7	-29.4	-179.6	0	0	0	0	0	113.8	Q306 A321 G322 Y473	Q306-A310 WeakPolarHBondContact O-CB 3.47Å; Q306-A310 PolarHBondContact O-N 3.41Å; A310-A321 CarbonylContact O-C 3.56Å; A310-A321 VanDerWaalsContact O-CA 3.28Å; A310-A321 WeakPolarHBondContact O-CA 3.45Å; A310-G322 PolarHBondContact O-N 2.58Å; A310-Y473 HydrophobicContact CB-CD1 3.31Å; A310-Y473 HydrophobicContact CB-CD2 3.6Å; A310-Y473 HydrophobicContact CB-CE1 3.72Å; A310-Y473 HydrophobicContact CB-CE2 3.99Å; A310-Y473 HydrophobicContact CB-CG 3.27Å
311	L	98.9	Very high	98.7	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-102.6	-47.7	-180	-174.2	110.1	0	0	0	113.1	A307 H308 F309 G316 M422	A307-L311 PolarHBondContact O-N 2.83Å; H308-L311 PolarHBondContact O-N 2.85Å; F309-L311 PolarHBondContact O-N 3.44Å; L311-G316 WeakPolarHBondContact O-CA 3.36Å; L311-M422 HydrophobicContact CD1-CB 4.36Å; L311-M422 HydrophobicContact CD1-CG 4.27Å; L311-M422 HydrophobicContact CD2-CB 3.42Å; L311-M422 VanDerWaalsContact CD2-CB 3.42Å; L311-M422 HydrophobicContact CD2-CG 3.82Å; L311-M422 HydrophobicContact CG-CB 4.43Å; L311-M422 HydrophobicContact CG-CG 4.46Å
312	F	98.9	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-87.1	-8.4	-169.5	-68.1	-76.8	0	0	0	113.7	H308 F309 Q315 A343 R346 P400 V402 P420 M422	H308-F312 AromaticContact CE1-CD2 3.38Å; H308-F312 WeakPolarHBondContact CE1-CD2 2.95Å; H308-F312 AromaticContact CE1-CE2 3.87Å; H308-F312 AromaticContact CE1-CG 3.9Å; H308-F312 AromaticContact CG-CD2 3.86Å; H308-F312 AromaticContact ND1-CD2 3.21Å; H308-F312 WeakPolarHBondContact ND1-CD2 3.37Å; H308-F312 AromaticContact ND1-CE2 3.53Å; H308-F312 WeakPolarHBondContact O-CB 3.47Å; H308-F312 VanDerWaalsContact O-CD2 3.27Å; H308-F312 WeakPolarHBondContact O-CD2 3.31Å; H308-F312 PolarHBondContact O-N 2.97Å; F309-F312 PolarHBondContact O-N 2.86Å; F312-Q315 PolarHBondContact O-N 2.91Å; F312-A343 HydrophobicContact CE2-CB 4.39Å; F312-A343 HydrophobicContact CZ-CB 4.29Å; F312-R346 PolarHBondContact O-NH2 3.22Å; F312-P400 HydrophobicContact CD1-CB 4.21Å; F312-P400 HydrophobicContact CE1-CB 3.71Å; F312-P400 HydrophobicContact CZ-CB 4.25Å; F312-V402 HydrophobicContact CZ-CG2 4.15Å; F312-P420 HydrophobicContact CD1-CB 3.67Å; F312-P420 HydrophobicContact CE1-CB 3.87Å; F312-P420 WeakPolarHBondContact CE1-O 3.33Å; F312-M422 HydrophobicContact CE2-CB 4.24Å; F312-M422 HydrophobicContact CE2-SD 4.15Å; F312-M422 HydrophobicContact CZ-CB 4.05Å
313	F	98.8	Very high	98.7	Very high	25 Å²	25	11.3 Å²	11.3	11%	0.11	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-54.9	139.7	174.6	178.5	-117.5	0	0	0	111.4	T133 V137 F187 F309 Q315 G316	T133-F313 HydrophobicContact CG2-CE2 3.84Å; T133-F313 HydrophobicContact CG2-CZ 4.43Å; V137-F313 HydrophobicContact CG1-CZ 4.19Å; F187-F313 AromaticContact CE1-CE1 3.64Å; F187-F313 HydrophobicContact CE1-CE1 3.64Å; F187-F313 AromaticContact CE1-CZ 3.87Å; F187-F313 HydrophobicContact CE1-CZ 3.87Å; F187-F313 HydrophobicContact CZ-CD1 4.23Å; F187-F313 AromaticContact CZ-CE1 3.55Å; F187-F313 HydrophobicContact CZ-CE1 3.55Å; F187-F313 HydrophobicContact CZ-CZ 4.25Å; F309-F313 HydrophobicContact CD2-CB 4.15Å; F309-F313 HydrophobicContact CD2-CD2 4.36Å; F309-F313 HydrophobicContact CE2-CB 3.94Å; F309-F313 AromaticContact CE2-CD2 3.46Å; F309-F313 HydrophobicContact CE2-CD2 3.46Å; F309-F313 VanDerWaalsContact CE2-CD2 3.46Å; F309-F313 HydrophobicContact CE2-CE2 4.17Å; F309-F313 AromaticContact CE2-CG 3.83Å; F309-F313 HydrophobicContact CE2-CG 3.83Å; F309-F313 HydrophobicContact CZ-CB 4.23Å; F309-F313 HydrophobicContact CZ-CD1 4.45Å; F309-F313 AromaticContact CZ-CD2 3.78Å; F309-F313 HydrophobicContact CZ-CD2 3.78Å; F309-F313 HydrophobicContact CZ-CE2 4.26Å; F309-F313 AromaticContact CZ-CG 3.9Å; F309-F313 HydrophobicContact CZ-CG 3.9Å; F309-F313 WeakPolarHBondContact O-CB 3.23Å; F309-F313 PolarHBondContact O-N 3.36Å; F313-Q315 VanDerWaalsContact C-N 3.27Å; F313-Q315 PolarHBondContact O-N 3.33Å; F313-G316 WeakPolarHBondContact O-CA 3.42Å; F313-G316 PolarHBondContact O-N 3Å
314	N	98.4	Very high	98.7	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.027	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	51.1	41.7	-176.8	-161.4	43.8	0	0	0	113.9	N186 F187 G316 Q317	N186-N314 PolarHBondContact O-ND2 2.96Å; F187-N314 HydrophobicContact CE1-CB 3.95Å; F187-N314 HydrophobicContact CZ-CB 3.64Å; F187-N314 VanDerWaalsContact CZ-ND2 3.35Å; F187-N314 WeakPolarHBondContact CZ-ND2 3.43Å; N314-G316 PolarHBondContact O-N 3.28Å; N314-Q317 PolarHBondContact ND2-O 3.11Å; N314-Q317 WeakPolarHBondContact O-CB 3.35Å; N314-Q317 WeakPolarHBondContact O-CG 3.33Å; N314-Q317 PolarHBondContact O-N 2.84Å; N314-Q317 PolarHBondContact O-NE2 2.85Å
315	Q	98.8	Very high	98.7	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	57.4	24.9	-173.8	-55.7	79.8	-102.8	0	0	114.1	F312 F313 Q317 Q358 G359 P360 Q361 G419 P420	F312-Q315 PolarHBondContact O-N 2.91Å; F313-Q315 VanDerWaalsContact C-N 3.27Å; F313-Q315 PolarHBondContact O-N 3.33Å; Q315-Q317 VanDerWaalsContact C-N 3.27Å; Q315-Q317 HydrophobicContact CB-CG 4.34Å; Q315-Q317 PolarHBondContact O-N 2.71Å; Q315-Q358 HydrophobicContact CB-CG 4.22Å; Q315-Q358 HydrophobicContact CG-CG 3.69Å; Q315-G359 VanDerWaalsContact CG-O 3.28Å; Q315-G359 WeakPolarHBondContact CG-O 3.35Å; Q315-P360 WeakPolarHBondContact CG-O 3.35Å; Q315-P360 PolarHBondContact NE2-O 2.99Å; Q315-P360 VanDerWaalsContact NE2-O 3.08Å; Q315-Q361 VanDerWaalsContact CB-NE2 3.33Å; Q315-Q361 PolarHBondContact O-NE2 3.28Å; Q315-G419 CarbonylContact O-C 3.6Å; Q315-G419 WeakPolarHBondContact O-CA 3.47Å; Q315-P420 WeakPolarHBondContact O-CD 3.43Å
316	G	98.6	Very high	98.7	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.021	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	75.8	10.1	-172.8	0	0	0	0	0	115	L311 F313 N314 C318 F418 G419	L311-G316 WeakPolarHBondContact O-CA 3.36Å; F313-G316 WeakPolarHBondContact O-CA 3.42Å; F313-G316 PolarHBondContact O-N 3Å; N314-G316 PolarHBondContact O-N 3.28Å; G316-C318 PolarHBondContact O-N 3.16Å; G316-C318 VanDerWaalsContact O-N 3.15Å; G316-F418 CarbonylContact O-C 3.55Å; G316-F418 VanDerWaalsContact O-C 3.25Å; G316-F418 WeakPolarHBondContact O-CA 3.34Å; G316-G419 PolarHBondContact O-N 3.25Å
317	Q	98.9	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.			trans	-91.8	57.1	-178.9	-52.1	170.2	135.9	0	0	109.6	W185 N186 N314 Q315 Q361 F418	W185-Q317 HydrophobicContact CH2-CB 3.86Å; W185-Q317 HydrophobicContact CH2-CG 3.84Å; W185-Q317 HydrophobicContact CZ3-CB 3.73Å; W185-Q317 VanDerWaalsContact CZ3-CD 3.4Å; W185-Q317 HydrophobicContact CZ3-CG 3.9Å; N186-Q317 HydrophobicContact CB-CB 4.28Å; N186-Q317 VanDerWaalsContact CB-O 3.29Å; N186-Q317 WeakPolarHBondContact CB-O 3.18Å; N186-Q317 PolarHBondContact ND2-O 3.41Å; N314-Q317 PolarHBondContact ND2-O 3.11Å; N314-Q317 WeakPolarHBondContact O-CB 3.35Å; N314-Q317 WeakPolarHBondContact O-CG 3.33Å; N314-Q317 PolarHBondContact O-N 2.84Å; N314-Q317 PolarHBondContact O-NE2 2.85Å; Q315-Q317 VanDerWaalsContact C-N 3.27Å; Q315-Q317 HydrophobicContact CB-CG 4.34Å; Q315-Q317 PolarHBondContact O-N 2.71Å; Q317-Q361 VanDerWaalsContact OE1-CA 3.32Å; Q317-Q361 VanDerWaalsContact OE1-NE2 3.12Å; Q317-F418 VanDerWaalsContact C-CZ 3.47Å; Q317-F418 HydrophobicContact CB-CD1 3.85Å; Q317-F418 HydrophobicContact CB-CE1 3.69Å; Q317-F418 HydrophobicContact CB-CZ 4.32Å; Q317-F418 HydrophobicContact CG-CD1 4.23Å; Q317-F418 HydrophobicContact CG-CE1 4.5Å
318	C	98.4	Very high	98.7	Very high	6 Å²	6	9.9 Å²	9.9	4%	0.041	5%	0.052	C	C	.	.			trans	-129.6	128.6	-179.7	-166.3	0	0	0	0	109.4	F187 G316 C320 A321 F418	F187-C318 HydrophobicContact CE2-CB 4.44Å; G316-C318 PolarHBondContact O-N 3.16Å; G316-C318 VanDerWaalsContact O-N 3.15Å; C318-C320 PolarHBondContact O-N 2.89Å; C318-C320 PolarHBondContact SG-SG 2.89Å; C318-A321 HydrophobicContact CB-CB 4.28Å; C318-A321 VanDerWaalsContact O-CB 3.26Å; C318-A321 WeakPolarHBondContact O-CB 3.35Å; C318-A321 PolarHBondContact O-N 2.9Å; C318-A321 VanDerWaalsContact O-N 3.11Å; C318-F418 VanDerWaalsContact C-CE2 3.44Å
319	C	96.9	Very high	98.7	Very high	30 Å²	30	13.2 Å²	13.2	20%	0.203	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.6	-177.7	50.2	0	0	0	0	112	G288 L444	G288-C319 WeakPolarHBondContact CA-O 3.27Å; G288-C319 PolarHBondContact N-O 3.36Å; C319-L444 VanDerWaalsContact C-CD2 3.48Å; C319-L444 HydrophobicContact CB-CD2 3.54Å; C319-L444 WeakPolarHBondContact O-CD2 3.43Å
320	C	98.4	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	7.7	178.5	55.9	0	0	0	0	114.1	S290 C318 G322 L444 A445 W469 Y473 D474 F476 F482	S290-C320 WeakPolarHBondContact CB-O 3.44Å; S290-C320 PolarHBondContact OG-O 3.44Å; C318-C320 PolarHBondContact O-N 2.89Å; C318-C320 PolarHBondContact SG-SG 2.89Å; C320-G322 PolarHBondContact O-N 3.28Å; C320-L444 HydrophobicContact CB-CD2 4.18Å; C320-L444 HydrophobicContact CB-CG 4.42Å; C320-A445 HydrophobicContact CB-CB 3.73Å; C320-W469 HydrophobicContact CB-CH2 4.14Å; C320-W469 HydrophobicContact CB-CZ3 4.48Å; C320-Y473 WeakPolarHBondContact O-CE1 3.47Å; C320-Y473 PolarHBondContact O-OH 3.34Å; C320-Y473 VanDerWaalsContact O-OH 3.08Å; C320-D474 PolarHBondContact SG-OD1 3.22Å; C320-F476 VanDerWaalsContact SG-CZ 3.56Å; C320-F482 HydrophobicContact CB-CE2 4.29Å; C320-F482 HydrophobicContact CB-CZ 4.09Å
321	A	98.7	Very high	98.7	Very high	9 Å²	9	16.7 Å²	16.7	7%	0.074	9%	0.089	C	C	.	.			trans	-49.8	134.9	-175.5	0	0	0	0	0	112.9	S290 A310 C318 S323	S290-A321 WeakPolarHBondContact CB-O 3.33Å; A310-A321 CarbonylContact O-C 3.56Å; A310-A321 VanDerWaalsContact O-CA 3.28Å; A310-A321 WeakPolarHBondContact O-CA 3.45Å; C318-A321 HydrophobicContact CB-CB 4.28Å; C318-A321 VanDerWaalsContact O-CB 3.26Å; C318-A321 WeakPolarHBondContact O-CB 3.35Å; C318-A321 PolarHBondContact O-N 2.9Å; C318-A321 VanDerWaalsContact O-N 3.11Å; A321-S323 PolarHBondContact O-N 3.33Å; A321-S323 PolarHBondContact O-OG 2.87Å
322	G	98.8	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.			trans	-68.2	54.6	179.3	0	0	0	0	0	113.8	S290 A310 C320 R324 T325 Y473	S290-G322 CarbonylContact O-C 3.51Å; A310-G322 PolarHBondContact O-N 2.58Å; C320-G322 PolarHBondContact O-N 3.28Å; G322-R324 VanDerWaalsContact C-N 3.25Å; G322-R324 PolarHBondContact O-N 2.98Å; G322-T325 PolarHBondContact O-OG1 3.17Å; G322-Y473 VanDerWaalsContact CA-OH 3.24Å; G322-Y473 WeakPolarHBondContact CA-OH 3.28Å; G322-Y473 PolarHBondContact N-OH 2.99Å
323	S	98.8	Very high	98.7	Very high	12 Å²	12	22.2 Å²	22.2	8%	0.084	12%	0.118	C	C	.	.			trans	-80.8	2.6	-167.1	59.2	0	0	0	0	114.8	K289 S290 A321 Q423	K289-S323 VanDerWaalsContact CD-OG 3.31Å; K289-S323 WeakPolarHBondContact CD-OG 3.49Å; K289-S323 WeakPolarHBondContact CE-OG 3.46Å; S290-S323 PolarHBondContact O-N 3.38Å; A321-S323 PolarHBondContact O-N 3.33Å; A321-S323 PolarHBondContact O-OG 2.87Å; S323-Q423 WeakPolarHBondContact O-CB 3.27Å; S323-Q423 PolarHBondContact O-NE2 3.4Å
324	R	98.9	Very high	98.7	Very high	12 Å²	12	25 Å²	25	5%	0.045	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	94.5	162.4	-67.3	-177.6	-65.3	146.1	-1.2	108.9	K289 S290 P291 N292 G322 F326 A413 L425 R436 A437	K289-R324 HydrophobicContact CG-CG 4.01Å; K289-R324 PolarHBondContact O-NE 2.83Å; K289-R324 PolarHBondContact O-NH2 2.65Å; S290-R324 PolarHBondContact O-N 2.74Å; P291-R324 CarbonylContact C-O 3.58Å; P291-R324 WeakPolarHBondContact CA-O 3.24Å; N292-R324 PolarHBondContact N-O 2.73Å; G322-R324 VanDerWaalsContact C-N 3.25Å; G322-R324 PolarHBondContact O-N 2.98Å; R324-F326 HydrophobicContact CB-CD2 4.15Å; R324-F326 HydrophobicContact CB-CE2 3.59Å; R324-F326 HydrophobicContact CB-CZ 4.29Å; R324-F326 HydrophobicContact CG-CE2 4.48Å; R324-F326 WeakPolarHBondContact O-CD2 3.47Å; R324-F326 PolarHBondContact O-N 3.39Å; R324-A413 VanDerWaalsContact CD-O 3.29Å; R324-A413 WeakPolarHBondContact CD-O 3.35Å; R324-L425 HydrophobicContact CB-CD1 3.92Å; R324-L425 HydrophobicContact CG-CD1 4.31Å; R324-R436 PolarHBondContact NH1-O 2.81Å; R324-A437 PolarHBondContact NH1-O 3.5Å; R324-A437 PolarHBondContact NH2-O 3.3Å
325	T	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	100.3	177.2	-55.3	0	0	0	0	108.7	N292 I294 A307 G322 V327 F335 M422 Q423 I424 L425	N292-T325 CarbonylContact O-C 3.56Å; N292-T325 WeakPolarHBondContact O-CA 3.19Å; I294-T325 HydrophobicContact CG1-CG2 4.17Å; A307-T325 HydrophobicContact CB-CG2 4.11Å; G322-T325 PolarHBondContact O-OG1 3.17Å; T325-V327 HydrophobicContact CG2-CG2 3.88Å; T325-F335 HydrophobicContact CG2-CE1 3.77Å; T325-F335 HydrophobicContact CG2-CZ 3.8Å; T325-M422 HydrophobicContact CG2-CE 4.01Å; T325-M422 WeakPolarHBondContact OG1-CE 3.19Å; T325-Q423 WeakPolarHBondContact CB-O 3.28Å; T325-Q423 PolarHBondContact N-O 2.96Å; T325-I424 CarbonylContact O-C 3.5Å; T325-I424 WeakPolarHBondContact O-CA 3.45Å; T325-L425 PolarHBondContact O-N 3.27Å
326	F	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.1	175.4	-70.1	-86.9	0	0	0	109.1	P291 N292 I293 I294 R324 L425 F427 V433 R436	P291-F326 HydrophobicContact CB-CD2 3.99Å; P291-F326 HydrophobicContact CB-CE2 3.85Å; N292-F326 PolarHBondContact O-N 3.04Å; I293-F326 CarbonylContact C-O 3.6Å; I293-F326 WeakPolarHBondContact CA-O 3.48Å; I293-F326 HydrophobicContact CG1-CB 4.33Å; I294-F326 PolarHBondContact N-O 3.03Å; R324-F326 HydrophobicContact CB-CD2 4.15Å; R324-F326 HydrophobicContact CB-CE2 3.59Å; R324-F326 HydrophobicContact CB-CZ 4.29Å; R324-F326 HydrophobicContact CG-CE2 4.48Å; R324-F326 WeakPolarHBondContact O-CD2 3.47Å; R324-F326 PolarHBondContact O-N 3.39Å; F326-L425 CarbonylContact C-O 3.56Å; F326-L425 WeakPolarHBondContact CA-O 3.42Å; F326-L425 HydrophobicContact CD1-CB 3.73Å; F326-L425 HydrophobicContact CD1-CD2 4.46Å; F326-L425 HydrophobicContact CE1-CB 3.89Å; F326-L425 HydrophobicContact CE1-CD2 3.76Å; F326-L425 HydrophobicContact CE1-CG 4.27Å; F326-L425 HydrophobicContact CG-CB 4.4Å; F326-L425 HydrophobicContact CZ-CD2 4.01Å; F326-F427 HydrophobicContact CB-CD1 3.75Å; F326-F427 HydrophobicContact CB-CE1 4.07Å; F326-V433 HydrophobicContact CB-CG2 3.7Å; F326-V433 HydrophobicContact CD1-CG2 4.03Å; F326-V433 HydrophobicContact CD2-CG2 4.42Å; F326-V433 HydrophobicContact CG-CG2 3.81Å; F326-R436 HydrophobicContact CE1-CB 4.08Å; F326-R436 HydrophobicContact CZ-CB 4.27Å
327	V	98.9	Very high	98.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.8	-177.9	-173.6	0	0	0	0	109.7	I294 T325 I331 Y332 F335 I424 L425 K426 F427	I294-V327 HydrophobicContact CB-CG1 4.38Å; I294-V327 HydrophobicContact CB-CG2 4.26Å; I294-V327 HydrophobicContact CG1-CG2 4.12Å; T325-V327 HydrophobicContact CG2-CG2 3.88Å; V327-I331 HydrophobicContact CG1-CD1 4Å; V327-I331 HydrophobicContact CG1-CG1 3.84Å; V327-Y332 HydrophobicContact CB-CD2 3.94Å; V327-Y332 HydrophobicContact CG1-CD2 4.47Å; V327-F335 HydrophobicContact CB-CD1 4.46Å; V327-F335 HydrophobicContact CG1-CB 3.84Å; V327-F335 HydrophobicContact CG1-CD1 4.25Å; V327-F335 HydrophobicContact CG1-CD2 4.39Å; V327-F335 HydrophobicContact CG1-CG 3.91Å; V327-F335 HydrophobicContact CG2-CD1 3.52Å; V327-F335 HydrophobicContact CG2-CD2 4.46Å; V327-F335 HydrophobicContact CG2-CE1 3.63Å; V327-F335 HydrophobicContact CG2-CG 3.97Å; V327-F335 HydrophobicContact CG2-CZ 4.14Å; V327-I424 HydrophobicContact CG2-CG2 3.82Å; V327-L425 PolarHBondContact N-O 2.98Å; V327-K426 WeakPolarHBondContact O-CA 3.47Å; V327-F427 WeakPolarHBondContact O-CD1 3.43Å; V327-F427 PolarHBondContact O-N 3.49Å; V327-F427 VanDerWaalsContact O-N 3.11Å
328	Q	98.8	Very high	98.7	Very high	24 Å²	24	37 Å²	37	11%	0.112	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.9	-176.8	-162.7	170.1	6.6	0	0	111.1	I294 S296 D330 I331 Y332 F427 K428	I294-Q328 PolarHBondContact O-N 2.91Å; I294-Q328 VanDerWaalsContact O-N 3.07Å; S296-Q328 VanDerWaalsContact CB-OE1 3.25Å; S296-Q328 PolarHBondContact OG-OE1 2.91Å; Q328-D330 VanDerWaalsContact C-N 3.26Å; Q328-D330 PolarHBondContact O-N 3.14Å; Q328-D330 VanDerWaalsContact O-N 3.12Å; Q328-I331 HydrophobicContact CB-CG1 4.45Å; Q328-I331 WeakPolarHBondContact O-CG1 3.23Å; Q328-I331 PolarHBondContact O-N 3.11Å; Q328-Y332 PolarHBondContact O-N 3.21Å; Q328-Y332 VanDerWaalsContact O-N 3.13Å; Q328-F427 CarbonylContact C-O 3.42Å; Q328-F427 WeakPolarHBondContact CA-O 3.1Å; Q328-F427 HydrophobicContact CB-CE1 3.94Å; Q328-F427 HydrophobicContact CB-CE2 4.01Å; Q328-F427 HydrophobicContact CB-CZ 3.62Å; Q328-F427 HydrophobicContact CG-CD2 4.48Å; Q328-F427 HydrophobicContact CG-CE2 3.97Å; Q328-F427 HydrophobicContact CG-CZ 4.11Å; Q328-K428 PolarHBondContact NE2-O 3.26Å
329	E	98.8	Very high	98.7	Very high	75 Å²	75	36.8 Å²	36.8	35%	0.35	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-53	-38.9	-168.7	66.8	-177.6	-169	0	0	114.4	I331 Y332 K426 F427 K428	E329-I331 PolarHBondContact O-N 3.32Å; E329-Y332 PolarHBondContact O-N 3.5Å; E329-K426 HydrophobicContact CB-CD 3.99Å; E329-K426 HydrophobicContact CB-CG 4.01Å; E329-F427 PolarHBondContact N-O 3.47Å; E329-K428 HydrophobicContact CG-CG 4.46Å; E329-K428 VanDerWaalsContact OE1-CD 3.32Å; E329-K428 WeakPolarHBondContact OE1-CD 3.17Å; E329-K428 WeakPolarHBondContact OE1-CE 3.46Å; E329-K428 WeakPolarHBondContact OE1-CG 3.21Å; E329-K428 IonicContact OE1-NZ 2.74Å; E329-K428 PolarHBondContact OE1-NZ 2.88Å
330	D	98.8	Very high	98.8	Very high	122 Å²	122	36.2 Å²	36.2	65%	0.652	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-63.5	-25.7	-177.7	-61.3	-37.6	0	0	0	114.1	Q328	Q328-D330 VanDerWaalsContact C-N 3.26Å; Q328-D330 PolarHBondContact O-N 3.14Å; Q328-D330 VanDerWaalsContact O-N 3.12Å
331	I	98.8	Very high	98.8	Very high	24 Å²	24	39 Å²	39	12%	0.123	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-117.8	2.9	-177	62.2	156.9	0	0	0	112.8	I294 M295 M300 V327 Q328 E329 D333 F335	I294-I331 HydrophobicContact CG2-CD1 3.92Å; M295-I331 WeakPolarHBondContact O-CD1 3.49Å; M300-I331 HydrophobicContact CE-CB 3.75Å; M300-I331 HydrophobicContact CE-CD1 4.18Å; M300-I331 HydrophobicContact CE-CG1 4.5Å; M300-I331 HydrophobicContact CE-CG2 4.3Å; V327-I331 HydrophobicContact CG1-CD1 4Å; V327-I331 HydrophobicContact CG1-CG1 3.84Å; Q328-I331 HydrophobicContact CB-CG1 4.45Å; Q328-I331 WeakPolarHBondContact O-CG1 3.23Å; Q328-I331 PolarHBondContact O-N 3.11Å; E329-I331 PolarHBondContact O-N 3.32Å; I331-D333 PolarHBondContact O-N 3.25Å; I331-F335 VanDerWaalsContact O-CB 3.27Å; I331-F335 WeakPolarHBondContact O-CB 3.44Å; I331-F335 PolarHBondContact O-N 2.89Å
332	Y	98.9	Very high	98.8	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-49.4	-171.7	-176.7	-88.5	0	0	0	112.6	V327 Q328 E329 F335 V336 D405 I424 K426	V327-Y332 HydrophobicContact CB-CD2 3.94Å; V327-Y332 HydrophobicContact CG1-CD2 4.47Å; Q328-Y332 PolarHBondContact O-N 3.21Å; Q328-Y332 VanDerWaalsContact O-N 3.13Å; E329-Y332 PolarHBondContact O-N 3.5Å; Y332-F335 PolarHBondContact O-N 3.4Å; Y332-V336 HydrophobicContact CD1-CG2 3.88Å; Y332-V336 HydrophobicContact CE1-CG2 3.54Å; Y332-V336 HydrophobicContact CE2-CG2 4.21Å; Y332-V336 HydrophobicContact CG-CG2 4.39Å; Y332-V336 WeakPolarHBondContact O-CB 3.24Å; Y332-V336 VanDerWaalsContact O-CG2 3.26Å; Y332-V336 WeakPolarHBondContact O-CG2 3.46Å; Y332-V336 PolarHBondContact O-N 3.29Å; Y332-D405 PolarHBondContact OH-N 2.61Å; Y332-I424 HydrophobicContact CD2-CG2 4.49Å; Y332-I424 HydrophobicContact CE2-CG2 3.72Å; Y332-I424 PolarHBondContact OH-O 3.35Å; Y332-I424 VanDerWaalsContact OH-O 3.1Å; Y332-K426 HydrophobicContact CD1-CD 4.4Å; Y332-K426 HydrophobicContact CD2-CB 3.61Å; Y332-K426 HydrophobicContact CD2-CD 4.24Å; Y332-K426 HydrophobicContact CD2-CG 3.65Å; Y332-K426 HydrophobicContact CE2-CB 3.65Å; Y332-K426 HydrophobicContact CE2-CG 4.21Å; Y332-K426 HydrophobicContact CG-CB 4.28Å; Y332-K426 HydrophobicContact CG-CD 4.05Å; Y332-K426 HydrophobicContact CG-CG 3.93Å
333	D	98.8	Very high	98.8	Very high	115 Å²	115	40.7 Å²	40.7	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-66.6	-44.6	-172.3	-65.2	-16.9	0	0	0	111.3	I331 V336 E337 K426	I331-D333 PolarHBondContact O-N 3.25Å; D333-V336 PolarHBondContact O-N 2.98Å; D333-E337 PolarHBondContact O-N 2.87Å; D333-K426 IonicContact OD1-NZ 2.88Å
334	E	98.8	Very high	98.8	Very high	84 Å²	84	47 Å²	47	39%	0.393	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-44.2	175.7	-179.1	177.6	-176.4	0	0	111.5	M300 V336 E337 R338	M300-E334 HydrophobicContact CE-CB 4.19Å; M300-E334 HydrophobicContact CE-CG 4.09Å; M300-E334 HydrophobicContact SD-CG 4.4Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-V336 PolarHBondContact O-N 3.46Å; E334-E337 PolarHBondContact O-N 3.05Å; E334-R338 WeakPolarHBondContact O-CG 3.3Å; E334-R338 PolarHBondContact O-N 3.26Å; E334-R338 IonicContact OE1-CZ 3.22Å; E334-R338 VanDerWaalsContact OE1-CZ 3.22Å; E334-R338 IonicContact OE1-NE 3.69Å; E334-R338 PolarHBondContact OE1-NE 3.35Å; E334-R338 IonicContact OE1-NH2 2.75Å; E334-R338 PolarHBondContact OE1-NH2 3.2Å
335	F	98.9	Very high	98.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-43.8	178.4	-176.9	-83.2	0	0	0	111.5	I294 M300 A303 V304 A307 T325 V327 I331 Y332 S339 M422 I424	I294-F335 HydrophobicContact CB-CE2 4.47Å; I294-F335 HydrophobicContact CD1-CE2 4.49Å; I294-F335 HydrophobicContact CG1-CE2 3.9Å; I294-F335 HydrophobicContact CG1-CZ 4.03Å; I294-F335 HydrophobicContact CG2-CD2 4.23Å; I294-F335 HydrophobicContact CG2-CE2 4.1Å; M300-F335 HydrophobicContact CE-CB 4.23Å; M300-F335 HydrophobicContact SD-CB 4.07Å; M300-F335 HydrophobicContact SD-CD2 4Å; A303-F335 HydrophobicContact CB-CE2 4.22Å; V304-F335 HydrophobicContact CB-CE2 4.4Å; V304-F335 HydrophobicContact CG2-CD2 3.53Å; V304-F335 HydrophobicContact CG2-CE2 3.72Å; V304-F335 HydrophobicContact CG2-CG 4.15Å; V304-F335 HydrophobicContact CG2-CZ 4.48Å; A307-F335 HydrophobicContact CB-CE2 4.38Å; A307-F335 HydrophobicContact CB-CZ 3.6Å; T325-F335 HydrophobicContact CG2-CE1 3.77Å; T325-F335 HydrophobicContact CG2-CZ 3.8Å; V327-F335 HydrophobicContact CB-CD1 4.46Å; V327-F335 HydrophobicContact CG1-CB 3.84Å; V327-F335 HydrophobicContact CG1-CD1 4.25Å; V327-F335 HydrophobicContact CG1-CD2 4.39Å; V327-F335 HydrophobicContact CG1-CG 3.91Å; V327-F335 HydrophobicContact CG2-CD1 3.52Å; V327-F335 HydrophobicContact CG2-CD2 4.46Å; V327-F335 HydrophobicContact CG2-CE1 3.63Å; V327-F335 HydrophobicContact CG2-CG 3.97Å; V327-F335 HydrophobicContact CG2-CZ 4.14Å; I331-F335 VanDerWaalsContact O-CB 3.27Å; I331-F335 WeakPolarHBondContact O-CB 3.44Å; I331-F335 PolarHBondContact O-N 2.89Å; Y332-F335 PolarHBondContact O-N 3.4Å; F335-S339 WeakPolarHBondContact CD1-OG 3.44Å; F335-S339 WeakPolarHBondContact CE1-OG 3.08Å; F335-S339 WeakPolarHBondContact O-CB 3.23Å; F335-S339 PolarHBondContact O-N 3.28Å; F335-S339 PolarHBondContact O-OG 3.03Å; F335-M422 HydrophobicContact CE1-CE 4.3Å; F335-I424 HydrophobicContact CD1-CG2 4.46Å; F335-I424 HydrophobicContact CE1-CD1 4.44Å
336	V	98.9	Very high	98.8	Very high	19 Å²	19	51 Å²	51	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-47.1	177.9	167.4	0	0	0	0	110.8	Y332 D333 E334 R338 S339 V340 L385 I424	Y332-V336 HydrophobicContact CD1-CG2 3.88Å; Y332-V336 HydrophobicContact CE1-CG2 3.54Å; Y332-V336 HydrophobicContact CE2-CG2 4.21Å; Y332-V336 HydrophobicContact CG-CG2 4.39Å; Y332-V336 WeakPolarHBondContact O-CB 3.24Å; Y332-V336 VanDerWaalsContact O-CG2 3.26Å; Y332-V336 WeakPolarHBondContact O-CG2 3.46Å; Y332-V336 PolarHBondContact O-N 3.29Å; D333-V336 PolarHBondContact O-N 2.98Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-V336 PolarHBondContact O-N 3.46Å; V336-R338 PolarHBondContact O-N 3.12Å; V336-S339 PolarHBondContact O-N 3.4Å; V336-V340 HydrophobicContact CG1-CG2 4.33Å; V336-V340 WeakPolarHBondContact O-CB 3.2Å; V336-V340 VanDerWaalsContact O-CG2 3.25Å; V336-V340 WeakPolarHBondContact O-CG2 3.37Å; V336-V340 PolarHBondContact O-N 2.79Å; V336-L385 HydrophobicContact CG1-CD1 3.38Å; V336-I424 HydrophobicContact CG2-CB 4.45Å; V336-I424 HydrophobicContact CG2-CD1 4.05Å; V336-I424 HydrophobicContact CG2-CG2 3.9Å
337	E	98.9	Very high	98.8	Very high	144 Å²	144	54 Å²	54	67%	0.673	28%	0.276	S	S	*	.	H	α-helix	trans	-55.2	-51.5	178.3	-176.8	-176.7	174.9	0	0	111.3	D333 E334 V340 A341	D333-E337 PolarHBondContact O-N 2.87Å; E334-E337 PolarHBondContact O-N 3.05Å; E337-V340 PolarHBondContact O-N 3.29Å; E337-A341 PolarHBondContact O-N 2.85Å
338	R	98.9	Very high	98.8	Very high	95 Å²	95	56 Å²	56	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-66.2	-39.4	-179.5	-66.7	170.7	173.8	-103.4	13.4	112.2	D301 V304 E334 V336 A341 R342	D301-R338 IonicContact OD1-CZ 3.53Å; D301-R338 IonicContact OD1-NH1 2.64Å; D301-R338 PolarHBondContact OD1-NH1 3.43Å; D301-R338 IonicContact OD1-NH2 3.96Å; V304-R338 HydrophobicContact CB-CB 4.48Å; V304-R338 HydrophobicContact CG1-CB 3.93Å; V304-R338 HydrophobicContact CG2-CB 3.9Å; E334-R338 WeakPolarHBondContact O-CG 3.3Å; E334-R338 PolarHBondContact O-N 3.26Å; E334-R338 IonicContact OE1-CZ 3.22Å; E334-R338 VanDerWaalsContact OE1-CZ 3.22Å; E334-R338 IonicContact OE1-NE 3.69Å; E334-R338 PolarHBondContact OE1-NE 3.35Å; E334-R338 IonicContact OE1-NH2 2.75Å; E334-R338 PolarHBondContact OE1-NH2 3.2Å; V336-R338 PolarHBondContact O-N 3.12Å; R338-A341 PolarHBondContact O-N 2.93Å; R338-R342 WeakPolarHBondContact O-CB 3.27Å; R338-R342 PolarHBondContact O-N 2.97Å
339	S	98.9	Very high	98.8	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-41.7	176.9	-63.8	0	0	0	0	112.1	F335 V336 R342 A343	F335-S339 WeakPolarHBondContact CD1-OG 3.44Å; F335-S339 WeakPolarHBondContact CE1-OG 3.08Å; F335-S339 WeakPolarHBondContact O-CB 3.23Å; F335-S339 PolarHBondContact O-N 3.28Å; F335-S339 PolarHBondContact O-OG 3.03Å; V336-S339 PolarHBondContact O-N 3.4Å; S339-R342 PolarHBondContact O-N 2.99Å; S339-A343 WeakPolarHBondContact O-CB 3.35Å; S339-A343 PolarHBondContact O-N 3.45Å
340	V	98.9	Very high	98.8	Very high	18 Å²	18	56 Å²	56	11%	0.109	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-43.3	175.9	171.8	0	0	0	0	111	V336 E337 R342 A343 K344 L385 C386 V402	V336-V340 HydrophobicContact CG1-CG2 4.33Å; V336-V340 WeakPolarHBondContact O-CB 3.2Å; V336-V340 VanDerWaalsContact O-CG2 3.25Å; V336-V340 WeakPolarHBondContact O-CG2 3.37Å; V336-V340 PolarHBondContact O-N 2.79Å; E337-V340 PolarHBondContact O-N 3.29Å; V340-R342 VanDerWaalsContact C-N 3.34Å; V340-R342 PolarHBondContact O-N 2.86Å; V340-A343 PolarHBondContact O-N 3.26Å; V340-K344 HydrophobicContact CG1-CD 4.14Å; V340-K344 HydrophobicContact CG1-CG 4.48Å; V340-K344 WeakPolarHBondContact O-CB 3.42Å; V340-K344 WeakPolarHBondContact O-CG 3.47Å; V340-K344 PolarHBondContact O-N 3.43Å; V340-L385 HydrophobicContact CG2-CB 3.55Å; V340-L385 HydrophobicContact CG2-CD1 3.69Å; V340-L385 HydrophobicContact CG2-CG 4.27Å; V340-C386 HydrophobicContact CG1-CB 4.16Å; V340-V402 HydrophobicContact CG2-CG1 4.25Å
341	A	98.8	Very high	98.8	Very high	59 Å²	59	50.3 Å²	50.3	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-45.8	175.6	0	0	0	0	0	111.2	E337 R338 K344 S345	E337-A341 PolarHBondContact O-N 2.85Å; R338-A341 PolarHBondContact O-N 2.93Å; A341-K344 PolarHBondContact O-N 3.29Å; A341-S345 PolarHBondContact O-N 2.96Å; A341-S345 VanDerWaalsContact O-N 3.11Å; A341-S345 PolarHBondContact O-OG 2.81Å
342	R	98.8	Very high	98.8	Very high	44 Å²	44	50.1 Å²	50.1	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-46.1	177.4	-179.1	59	-178.1	100.2	-0.6	111.9	E305 H308 R338 S339 V340 K344 S345 R346 E357	E305-R342 IonicContact OE1-CZ 3.57Å; E305-R342 IonicContact OE1-NE 3.67Å; E305-R342 PolarHBondContact OE1-NE 3.1Å; E305-R342 IonicContact OE1-NH2 2.73Å; E305-R342 PolarHBondContact OE1-NH2 3.34Å; E305-R342 WeakPolarHBondContact OE2-CD 3.22Å; E305-R342 IonicContact OE2-CZ 3.71Å; E305-R342 IonicContact OE2-NE 3.06Å; E305-R342 PolarHBondContact OE2-NE 3.07Å; H308-R342 HydrophobicContact CB-CG 3.99Å; R338-R342 WeakPolarHBondContact O-CB 3.27Å; R338-R342 PolarHBondContact O-N 2.97Å; S339-R342 PolarHBondContact O-N 2.99Å; V340-R342 VanDerWaalsContact C-N 3.34Å; V340-R342 PolarHBondContact O-N 2.86Å; R342-K344 PolarHBondContact O-N 3Å; R342-S345 PolarHBondContact O-N 3.42Å; R342-S345 PolarHBondContact O-OG 2.74Å; R342-R346 PolarHBondContact O-N 2.94Å; R342-E357 IonicContact CZ-OE2 3.33Å; R342-E357 IonicContact NH1-OE1 2.89Å; R342-E357 IonicContact NH1-OE2 2.71Å; R342-E357 PolarHBondContact NH1-OE2 3.5Å; R342-E357 IonicContact NH2-OE2 3.32Å; R342-E357 PolarHBondContact NH2-OE2 2.77Å
343	A	98.8	Very high	98.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-41.7	177.7	0	0	0	0	0	112.8	F312 S339 V340 S345 R346 P400 V402	F312-A343 HydrophobicContact CE2-CB 4.39Å; F312-A343 HydrophobicContact CZ-CB 4.29Å; S339-A343 WeakPolarHBondContact O-CB 3.35Å; S339-A343 PolarHBondContact O-N 3.45Å; V340-A343 PolarHBondContact O-N 3.26Å; A343-S345 VanDerWaalsContact C-N 3.26Å; A343-S345 PolarHBondContact O-N 2.95Å; A343-R346 WeakPolarHBondContact O-CB 3.48Å; A343-R346 PolarHBondContact O-N 3.14Å; A343-P400 HydrophobicContact CB-CB 4.37Å; A343-V402 HydrophobicContact CB-CG2 3.64Å
344	K	98.8	Very high	98.6	Very high	143 Å²	143	52.5 Å²	52.5	62%	0.622	28%	0.284	S	S	*	.	H	α-helix	trans	-64.3	-30	175.1	-75.1	178.4	179.1	177	0	113.3	V340 A341 R342 C386	V340-K344 HydrophobicContact CG1-CD 4.14Å; V340-K344 HydrophobicContact CG1-CG 4.48Å; V340-K344 WeakPolarHBondContact O-CB 3.42Å; V340-K344 WeakPolarHBondContact O-CG 3.47Å; V340-K344 PolarHBondContact O-N 3.43Å; A341-K344 PolarHBondContact O-N 3.29Å; R342-K344 PolarHBondContact O-N 3Å; K344-C386 HydrophobicContact CD-CB 4.37Å; K344-C386 HydrophobicContact CG-CB 3.85Å
345	S	98.6	Very high	98.6	Very high	70 Å²	70	55.8 Å²	55.8	49%	0.49	30%	0.298	S	S	.	.	H	α-helix	trans	-82.8	-12.4	179	71.8	0	0	0	0	114.2	A341 R342 A343 V347	A341-S345 PolarHBondContact O-N 2.96Å; A341-S345 VanDerWaalsContact O-N 3.11Å; A341-S345 PolarHBondContact O-OG 2.81Å; R342-S345 PolarHBondContact O-N 3.42Å; R342-S345 PolarHBondContact O-OG 2.74Å; A343-S345 VanDerWaalsContact C-N 3.26Å; A343-S345 PolarHBondContact O-N 2.95Å; S345-V347 PolarHBondContact O-N 3.19Å
346	R	98.7	Very high	98.6	Very high	28 Å²	28	56.4 Å²	56.4	11%	0.106	30%	0.301	C	S	.	.			trans	-66.2	120.5	-177.2	-179.9	175.4	178.8	66.3	4.5	110.8	F312 R342 A343 V348 E357 P400	F312-R346 PolarHBondContact O-NH2 3.22Å; R342-R346 PolarHBondContact O-N 2.94Å; A343-R346 WeakPolarHBondContact O-CB 3.48Å; A343-R346 PolarHBondContact O-N 3.14Å; R346-V348 PolarHBondContact O-N 3.14Å; R346-E357 WeakPolarHBondContact CA-OE1 3.25Å; R346-E357 HydrophobicContact CG-CB 4.04Å; R346-E357 IonicContact NH1-OE2 3.76Å; R346-E357 PolarHBondContact NH2-O 3.29Å; R346-P400 HydrophobicContact CB-CG 4.09Å; R346-P400 HydrophobicContact CG-CG 4.23Å
347	V	98.8	Very high	98.6	Very high	63 Å²	63	58.4 Å²	58.4	38%	0.382	31%	0.309	S	S	.	.			trans	-77.3	114.5	-176.1	-175.3	0	0	0	0	111.1	S345 K355 E357 Q358	S345-V347 PolarHBondContact O-N 3.19Å; V347-K355 WeakPolarHBondContact CB-O 3.39Å; V347-E357 HydrophobicContact CB-CG 4.48Å; V347-E357 PolarHBondContact N-OE1 3.34Å; V347-E357 PolarHBondContact O-N 3.25Å; V347-Q358 PolarHBondContact O-N 3.27Å
348	V	98.9	Very high	98.6	Very high	42 Å²	42	51.6 Å²	51.6	26%	0.255	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-99.5	131.2	171.5	-173.5	0	0	0	0	109.3	R346 Q358 A391 F397 P400	R346-V348 PolarHBondContact O-N 3.14Å; V348-Q358 WeakPolarHBondContact CA-O 3.46Å; V348-Q358 HydrophobicContact CG2-CB 4.16Å; V348-A391 HydrophobicContact CG1-CB 4.04Å; V348-F397 HydrophobicContact CG1-CB 4.19Å; V348-F397 HydrophobicContact CG1-CD1 3.68Å; V348-F397 HydrophobicContact CG1-CG 4.35Å; V348-P400 HydrophobicContact CG2-CG 3.87Å
349	G	98.6	Very high	98.6	Very high	21 Å²	21	47 Å²	47	22%	0.216	26%	0.26	C	S	.	.	S	Bend	trans	174.8	-162.9	180	0	0	0	0	0	114.8	T356 Q358 F397	G349-T356 WeakPolarHBondContact O-CG2 3.3Å; G349-Q358 PolarHBondContact N-O 2.82Å; G349-Q358 VanDerWaalsContact N-O 3.15Å; G349-F397 WeakPolarHBondContact O-CE1 3.24Å
350	N	98.8	Very high	98.6	Very high	78 Å²	78	47 Å²	47	42%	0.417	26%	0.26	S	S	.	.			trans	-55.4	121.7	177.9	177.4	-4.4	0	0	0	109.6	F352 D353 T356	N350-F352 PolarHBondContact O-N 3.02Å; N350-F352 VanDerWaalsContact O-N 3.12Å; N350-F352 PolarHBondContact OD1-N 2.94Å; N350-D353 PolarHBondContact O-N 2.69Å; N350-T356 WeakPolarHBondContact O-CB 3.28Å; N350-T356 PolarHBondContact O-OG1 2.9Å
351	P	98.8	Very high	98.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.4	-175.3	28.8	-37.3	0	0	0	114.3	S60 T124 G128 P130 Y131	S60-P351 WeakPolarHBondContact OG-CD 3.33Å; S60-P351 WeakPolarHBondContact OG-CG 3.46Å; T124-P351 HydrophobicContact CG2-CB 3.71Å; T124-P351 HydrophobicContact CG2-CG 3.76Å; G128-P351 VanDerWaalsContact O-CB 3.26Å; G128-P351 WeakPolarHBondContact O-CB 3.34Å; P130-P351 CarbonylContact C-O 3.57Å; P130-P351 WeakPolarHBondContact CA-O 3.24Å; Y131-P351 PolarHBondContact N-O 3.01Å
352	F	98.6	Very high	98.6	Very high	20 Å²	20	43.5 Å²	43.5	9%	0.088	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.3	171.8	-70.5	-73.4	0	0	0	114	P28 Q30 A121 T124 L125 Y131 N350 S354	P28-F352 HydrophobicContact CB-CD1 3.74Å; P28-F352 HydrophobicContact CB-CE1 4.06Å; P28-F352 HydrophobicContact CG-CD1 3.91Å; Q30-F352 HydrophobicContact CB-CB 4.43Å; Q30-F352 HydrophobicContact CB-CD1 4.3Å; Q30-F352 HydrophobicContact CB-CD2 4.06Å; Q30-F352 HydrophobicContact CB-CE2 4.36Å; Q30-F352 HydrophobicContact CB-CG 4.02Å; Q30-F352 HydrophobicContact CG-CB 3.8Å; Q30-F352 HydrophobicContact CG-CD1 4.05Å; Q30-F352 HydrophobicContact CG-CD2 4.34Å; Q30-F352 HydrophobicContact CG-CG 3.82Å; Q30-F352 WeakPolarHBondContact O-CE2 3.47Å; A121-F352 HydrophobicContact CB-CE1 4.09Å; A121-F352 WeakPolarHBondContact O-CZ 3.26Å; T124-F352 HydrophobicContact CG2-CD1 4.06Å; T124-F352 HydrophobicContact CG2-CD2 4.09Å; T124-F352 HydrophobicContact CG2-CE1 3.75Å; T124-F352 HydrophobicContact CG2-CE2 3.78Å; T124-F352 HydrophobicContact CG2-CG 4.24Å; T124-F352 HydrophobicContact CG2-CZ 3.61Å; L125-F352 HydrophobicContact CB-CZ 4.38Å; L125-F352 HydrophobicContact CD1-CE2 4.42Å; Y131-F352 HydrophobicContact CD2-CE1 4.47Å; Y131-F352 HydrophobicContact CG-CD1 4.35Å; N350-F352 PolarHBondContact O-N 3.02Å; N350-F352 VanDerWaalsContact O-N 3.12Å; N350-F352 PolarHBondContact OD1-N 2.94Å; F352-S354 PolarHBondContact O-N 2.68Å
353	D	98.3	Very high	98.6	Very high	74 Å²	74	42.9 Å²	42.9	40%	0.396	23%	0.232	S	C	.	.	S	Bend	trans	-75.5	124.3	171.1	-172.2	-24.3	0	0	0	109.7	N350 K355 T356	N350-D353 PolarHBondContact O-N 2.69Å; D353-K355 PolarHBondContact O-N 3.13Å; D353-K355 PolarHBondContact OD1-N 3.44Å; D353-T356 WeakPolarHBondContact O-CB 3.32Å; D353-T356 PolarHBondContact O-N 2.89Å
354	S	96.3	Very high	98.6	Very high	96 Å²	96	47.2 Å²	47.2	67%	0.671	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-20.3	177.1	60.8	0	0	0	0	115.4	F352	F352-S354 PolarHBondContact O-N 2.68Å
355	K	97.7	Very high	98.6	Very high	154 Å²	154	45.2 Å²	45.2	67%	0.67	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.1	177.8	-63.5	175	-174.7	169.5	0	113.2	V347 D353 E357	V347-K355 WeakPolarHBondContact CB-O 3.39Å; D353-K355 PolarHBondContact O-N 3.13Å; D353-K355 PolarHBondContact OD1-N 3.44Å; K355-E357 PolarHBondContact O-N 3.19Å
356	T	98.6	Very high	98.6	Very high	13 Å²	13	43 Å²	43	8%	0.08	23%	0.234	C	C	.	.			trans	-72.8	124.3	-174.7	-66.1	0	0	0	0	110.4	P130 G349 N350 D353 Q358	P130-T356 HydrophobicContact CG-CG2 4.35Å; G349-T356 WeakPolarHBondContact O-CG2 3.3Å; N350-T356 WeakPolarHBondContact O-CB 3.28Å; N350-T356 PolarHBondContact O-OG1 2.9Å; D353-T356 WeakPolarHBondContact O-CB 3.32Å; D353-T356 PolarHBondContact O-N 2.89Å; T356-Q358 WeakPolarHBondContact CG2-O 3.48Å
357	E	98.7	Very high	98.6	Very high	61 Å²	61	42.9 Å²	42.9	29%	0.285	24%	0.235	S	C	.	.	S	Bend	trans	-94.7	-25	173.4	-64.7	176	-100.5	0	0	111.9	R342 R346 V347 K355	R342-E357 IonicContact CZ-OE2 3.33Å; R342-E357 IonicContact NH1-OE1 2.89Å; R342-E357 IonicContact NH1-OE2 2.71Å; R342-E357 PolarHBondContact NH1-OE2 3.5Å; R342-E357 IonicContact NH2-OE2 3.32Å; R342-E357 PolarHBondContact NH2-OE2 2.77Å; R346-E357 WeakPolarHBondContact CA-OE1 3.25Å; R346-E357 HydrophobicContact CG-CB 4.04Å; R346-E357 IonicContact NH1-OE2 3.76Å; R346-E357 PolarHBondContact NH2-O 3.29Å; V347-E357 HydrophobicContact CB-CG 4.48Å; V347-E357 PolarHBondContact N-OE1 3.34Å; V347-E357 PolarHBondContact O-N 3.25Å; K355-E357 PolarHBondContact O-N 3.19Å
358	Q	98.9	Very high	98.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-136.2	120.8	-176.6	-164	177.1	-75.8	0	0	111.8	Q315 V347 V348 G349 T356 I398	Q315-Q358 HydrophobicContact CB-CG 4.22Å; Q315-Q358 HydrophobicContact CG-CG 3.69Å; V347-Q358 PolarHBondContact O-N 3.27Å; V348-Q358 WeakPolarHBondContact CA-O 3.46Å; V348-Q358 HydrophobicContact CG2-CB 4.16Å; G349-Q358 PolarHBondContact N-O 2.82Å; G349-Q358 VanDerWaalsContact N-O 3.15Å; T356-Q358 WeakPolarHBondContact CG2-O 3.48Å; Q358-I398 PolarHBondContact NE2-O 3.31Å
359	G	98.8	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.			trans	-83.5	-164.1	169.2	0	0	0	0	0	113.4	G128 Q315	G128-G359 WeakPolarHBondContact O-CA 3.05Å; Q315-G359 VanDerWaalsContact CG-O 3.28Å; Q315-G359 WeakPolarHBondContact CG-O 3.35Å
360	P	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.			trans	-77.4	170.3	173.1	36.5	-39.6	0	0	0	112.1	P59 G128 Q315 Y396 F397	P59-P360 HydrophobicContact CB-CB 4.18Å; P59-P360 HydrophobicContact CB-CG 3.69Å; P59-P360 HydrophobicContact CG-CG 3.89Å; P59-P360 WeakPolarHBondContact O-CB 3.43Å; G128-P360 WeakPolarHBondContact O-CD 3.42Å; Q315-P360 WeakPolarHBondContact CG-O 3.35Å; Q315-P360 PolarHBondContact NE2-O 2.99Å; Q315-P360 VanDerWaalsContact NE2-O 3.08Å; P360-Y396 WeakPolarHBondContact CA-O 3.42Å; P360-F397 HydrophobicContact CB-CD1 3.92Å; P360-F397 HydrophobicContact CB-CD2 4.11Å; P360-F397 HydrophobicContact CB-CE1 3.81Å; P360-F397 HydrophobicContact CB-CE2 4.02Å; P360-F397 HydrophobicContact CB-CG 4.08Å; P360-F397 HydrophobicContact CB-CZ 3.87Å; P360-F397 HydrophobicContact CG-CE1 4.09Å; P360-F397 HydrophobicContact CG-CZ 4.01Å
361	Q	98.9	Very high	98.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.			trans	-72.7	156.9	162.7	-43.5	-54.8	174.2	0	0	111.1	P59 Q315 Q317 D363 I370 Y396 I398	P59-Q361 WeakPolarHBondContact CB-O 3.3Å; Q315-Q361 VanDerWaalsContact CB-NE2 3.33Å; Q315-Q361 PolarHBondContact O-NE2 3.28Å; Q317-Q361 VanDerWaalsContact OE1-CA 3.32Å; Q317-Q361 VanDerWaalsContact OE1-NE2 3.12Å; Q361-D363 VanDerWaalsContact C-N 3.32Å; Q361-D363 PolarHBondContact O-N 2.71Å; Q361-I370 HydrophobicContact CB-CD1 4.41Å; Q361-I370 HydrophobicContact CG-CD1 3.72Å; Q361-Y396 WeakPolarHBondContact CG-O 3.33Å; Q361-Y396 PolarHBondContact N-O 2.91Å; Q361-Y396 WeakPolarHBondContact O-CB 3.46Å; Q361-I398 HydrophobicContact CG-CD1 3.9Å; Q361-I398 HydrophobicContact CG-CG1 4.18Å
362	V	98.9	Very high	98.6	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.03	25%	0.245	C	C	.	.	S	Bend	trans	-61.8	-34.4	-169.8	74.8	0	0	0	0	114.5	P59 W185 Q213 T214 Q366	P59-V362 WeakPolarHBondContact CB-O 3.33Å; W185-V362 HydrophobicContact CB-CG2 4.31Å; W185-V362 HydrophobicContact CD2-CB 4.06Å; W185-V362 HydrophobicContact CD2-CG1 3.66Å; W185-V362 HydrophobicContact CD2-CG2 3.98Å; W185-V362 HydrophobicContact CE3-CB 3.5Å; W185-V362 VanDerWaalsContact CE3-CB 3.5Å; W185-V362 HydrophobicContact CE3-CG1 3.54Å; W185-V362 HydrophobicContact CE3-CG2 3.59Å; W185-V362 HydrophobicContact CG-CG1 4.41Å; W185-V362 HydrophobicContact CG-CG2 4.28Å; W185-V362 HydrophobicContact CH2-CB 4.13Å; W185-V362 HydrophobicContact CH2-CG1 3.59Å; W185-V362 HydrophobicContact CZ2-CG1 3.72Å; W185-V362 HydrophobicContact CZ3-CB 3.56Å; W185-V362 HydrophobicContact CZ3-CG1 3.52Å; W185-V362 HydrophobicContact CZ3-CG2 4.18Å; Q213-V362 HydrophobicContact CB-CG2 3.87Å; Q213-V362 HydrophobicContact CG-CG2 4.43Å; T214-V362 HydrophobicContact CG2-CG2 3.97Å; V362-Q366 HydrophobicContact CG1-CB 4.3Å; V362-Q366 HydrophobicContact CG1-CG 3.97Å
363	D	98.8	Very high	98.6	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.16	25%	0.246	C	C	.	.	S	Bend	trans	-155.6	173.2	-177.6	71.7	13.6	0	0	0	112.1	Q213 Q361 T365 Q366 F367	Q213-D363 HydrophobicContact CG-CB 4.45Å; Q213-D363 WeakPolarHBondContact CG-OD2 3.45Å; Q361-D363 VanDerWaalsContact C-N 3.32Å; Q361-D363 PolarHBondContact O-N 2.71Å; D363-T365 VanDerWaalsContact C-N 3.28Å; D363-T365 PolarHBondContact O-N 2.63Å; D363-T365 WeakPolarHBondContact OD1-CB 3.47Å; D363-T365 PolarHBondContact OD1-N 3.11Å; D363-Q366 WeakPolarHBondContact OD1-CB 3.34Å; D363-Q366 PolarHBondContact OD1-N 3.43Å; D363-F367 WeakPolarHBondContact O-CB 3.36Å; D363-F367 PolarHBondContact O-N 3.38Å
364	E	98.8	Very high	98.6	Very high	93 Å²	93	44 Å²	44	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-64.5	-31.3	179	-169.2	-178.6	-175.2	0	0	112.8	F367 K368 Y396	E364-F367 WeakPolarHBondContact O-CB 3.35Å; E364-F367 PolarHBondContact O-N 2.82Å; E364-K368 VanDerWaalsContact CD-NZ 3.26Å; E364-K368 HydrophobicContact CG-CD 4.16Å; E364-K368 HydrophobicContact CG-CG 4.48Å; E364-K368 WeakPolarHBondContact O-CB 3.14Å; E364-K368 WeakPolarHBondContact O-CG 2.97Å; E364-K368 PolarHBondContact O-N 3.39Å; E364-K368 WeakPolarHBondContact OE1-CE 3.45Å; E364-K368 IonicContact OE1-NZ 3.75Å; E364-K368 PolarHBondContact OE1-NZ 3.41Å; E364-K368 IonicContact OE2-NZ 3.25Å; E364-Y396 HydrophobicContact CB-CD1 4.35Å; E364-Y396 HydrophobicContact CB-CE1 3.67Å; E364-Y396 HydrophobicContact CG-CE1 4.15Å
365	T	98.6	Very high	98.8	Very high	100 Å²	100	43.2 Å²	43.2	61%	0.613	22%	0.216	S	C	*	.	H	α-helix	trans	-66.4	-50.7	-179.2	-58.2	0	0	0	0	110.3	D363 F367 K368 K369	D363-T365 VanDerWaalsContact C-N 3.28Å; D363-T365 PolarHBondContact O-N 2.63Å; D363-T365 WeakPolarHBondContact OD1-CB 3.47Å; D363-T365 PolarHBondContact OD1-N 3.11Å; T365-F367 VanDerWaalsContact C-N 3.34Å; T365-K368 PolarHBondContact O-N 2.79Å; T365-K369 WeakPolarHBondContact O-CB 3.27Å; T365-K369 PolarHBondContact O-N 3.35Å
366	Q	98.8	Very high	98.8	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-42.6	174.9	-78.1	-62.8	118.4	0	0	111.2	W185 V362 D363 K368 K369 I370	W185-Q366 HydrophobicContact CH2-CG 4.11Å; W185-Q366 HydrophobicContact CZ2-CG 3.71Å; V362-Q366 HydrophobicContact CG1-CB 4.3Å; V362-Q366 HydrophobicContact CG1-CG 3.97Å; D363-Q366 WeakPolarHBondContact OD1-CB 3.34Å; D363-Q366 PolarHBondContact OD1-N 3.43Å; Q366-K368 PolarHBondContact O-N 3.09Å; Q366-K369 PolarHBondContact O-N 3.27Å; Q366-I370 WeakPolarHBondContact O-CB 3.46Å; Q366-I370 WeakPolarHBondContact O-CD1 3.31Å; Q366-I370 WeakPolarHBondContact O-CG1 3.35Å; Q366-I370 PolarHBondContact O-N 3.48Å
367	F	98.9	Very high	98.8	Very high	25 Å²	25	36.9 Å²	36.9	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-53.9	-52.3	175.8	179.1	-106.2	0	0	0	112.4	D363 E364 T365 I370 L371 I390 Y396 I398	D363-F367 WeakPolarHBondContact O-CB 3.36Å; D363-F367 PolarHBondContact O-N 3.38Å; E364-F367 WeakPolarHBondContact O-CB 3.35Å; E364-F367 PolarHBondContact O-N 2.82Å; T365-F367 VanDerWaalsContact C-N 3.34Å; F367-I370 PolarHBondContact O-N 3.03Å; F367-L371 HydrophobicContact CD1-CD1 4Å; F367-L371 HydrophobicContact CE1-CD1 3.56Å; F367-L371 HydrophobicContact CE2-CD1 4.2Å; F367-L371 HydrophobicContact CZ-CD1 3.69Å; F367-L371 WeakPolarHBondContact O-CG 3.4Å; F367-L371 PolarHBondContact O-N 3.37Å; F367-L371 VanDerWaalsContact O-N 3.09Å; F367-I390 HydrophobicContact CE1-CD1 4.29Å; F367-I390 HydrophobicContact CE2-CG1 4.39Å; F367-I390 HydrophobicContact CE2-CG2 4.39Å; F367-I390 HydrophobicContact CZ-CB 4.4Å; F367-I390 HydrophobicContact CZ-CD1 3.81Å; F367-I390 HydrophobicContact CZ-CG1 3.69Å; F367-I390 HydrophobicContact CZ-CG2 3.98Å; F367-Y396 HydrophobicContact CB-CD1 4.25Å; F367-Y396 HydrophobicContact CB-CG 4.34Å; F367-Y396 HydrophobicContact CG-CD1 4.27Å; F367-I398 HydrophobicContact CD2-CD1 3.75Å; F367-I398 HydrophobicContact CD2-CG1 3.56Å; F367-I398 HydrophobicContact CE2-CD1 4.19Å; F367-I398 HydrophobicContact CE2-CG1 3.59Å
368	K	98.9	Very high	98.8	Very high	119 Å²	119	38.4 Å²	38.4	52%	0.517	20%	0.197	S	C	.	.	H	α-helix	trans	-64.8	-41.1	178.3	-72.6	173.9	-178.8	167.3	0	112.1	E364 T365 Q366 I370 L371 G372	E364-K368 VanDerWaalsContact CD-NZ 3.26Å; E364-K368 HydrophobicContact CG-CD 4.16Å; E364-K368 HydrophobicContact CG-CG 4.48Å; E364-K368 WeakPolarHBondContact O-CB 3.14Å; E364-K368 WeakPolarHBondContact O-CG 2.97Å; E364-K368 PolarHBondContact O-N 3.39Å; E364-K368 WeakPolarHBondContact OE1-CE 3.45Å; E364-K368 IonicContact OE1-NZ 3.75Å; E364-K368 PolarHBondContact OE1-NZ 3.41Å; E364-K368 IonicContact OE2-NZ 3.25Å; T365-K368 PolarHBondContact O-N 2.79Å; Q366-K368 PolarHBondContact O-N 3.09Å; K368-I370 PolarHBondContact O-N 3.24Å; K368-L371 PolarHBondContact O-N 2.96Å; K368-G372 PolarHBondContact O-N 3.41Å
369	K	98.8	Very high	98.8	Very high	95 Å²	95	45 Å²	45	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-46.2	177.8	-176.6	176.9	176.3	179.2	0	111.6	T365 Q366 G372 Y373	T365-K369 WeakPolarHBondContact O-CB 3.27Å; T365-K369 PolarHBondContact O-N 3.35Å; Q366-K369 PolarHBondContact O-N 3.27Å; K369-G372 WeakPolarHBondContact O-CA 3.23Å; K369-G372 PolarHBondContact O-N 3.24Å; K369-Y373 HydrophobicContact CD-CE2 4.4Å; K369-Y373 HydrophobicContact CG-CD2 4.2Å; K369-Y373 HydrophobicContact CG-CE2 3.89Å; K369-Y373 WeakPolarHBondContact O-CD2 3.45Å; K369-Y373 PolarHBondContact O-N 3.04Å
370	I	98.9	Very high	98.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-44.6	179.7	-64.4	157.6	0	0	0	110.8	Q361 Q366 F367 K368 G372 Y373 I374 I398 I417 F418 V421	Q361-I370 HydrophobicContact CB-CD1 4.41Å; Q361-I370 HydrophobicContact CG-CD1 3.72Å; Q366-I370 WeakPolarHBondContact O-CB 3.46Å; Q366-I370 WeakPolarHBondContact O-CD1 3.31Å; Q366-I370 WeakPolarHBondContact O-CG1 3.35Å; Q366-I370 PolarHBondContact O-N 3.48Å; F367-I370 PolarHBondContact O-N 3.03Å; K368-I370 PolarHBondContact O-N 3.24Å; I370-G372 PolarHBondContact O-N 3.19Å; I370-Y373 PolarHBondContact O-N 3.47Å; I370-Y373 VanDerWaalsContact O-N 3.14Å; I370-I374 HydrophobicContact CG2-CD1 4.12Å; I370-I374 WeakPolarHBondContact O-CG1 3.23Å; I370-I374 PolarHBondContact O-N 3.27Å; 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 4.44Å; I370-I417 HydrophobicContact CG1-CG2 4.34Å; I370-I417 HydrophobicContact CG2-CG2 4.19Å; I370-F418 WeakPolarHBondContact CD1-O 3.42Å; I370-V421 HydrophobicContact CG2-CG2 3.86Å
371	L	98.9	Very high	98.8	Very high	42 Å²	42	51.5 Å²	51.5	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-36.6	174.1	-69.7	175.5	0	0	0	112	F367 K368 I374 N375 I390 I398	F367-L371 HydrophobicContact CD1-CD1 4Å; F367-L371 HydrophobicContact CE1-CD1 3.56Å; F367-L371 HydrophobicContact CE2-CD1 4.2Å; F367-L371 HydrophobicContact CZ-CD1 3.69Å; F367-L371 WeakPolarHBondContact O-CG 3.4Å; F367-L371 PolarHBondContact O-N 3.37Å; F367-L371 VanDerWaalsContact O-N 3.09Å; K368-L371 PolarHBondContact O-N 2.96Å; L371-I374 HydrophobicContact CD2-CD1 4.38Å; L371-I374 PolarHBondContact O-N 3.46Å; L371-N375 PolarHBondContact O-N 3.03Å; L371-I390 HydrophobicContact CD1-CD1 4.29Å; L371-I390 HydrophobicContact CD1-CG1 4.02Å; L371-I390 HydrophobicContact CD2-CG1 4.26Å; L371-I398 HydrophobicContact CD2-CD1 4.32Å; L371-I398 HydrophobicContact CD2-CG1 4.44Å; L371-I398 HydrophobicContact CG-CD1 4.18Å
372	G	98.9	Very high	98.8	Very high	33 Å²	33	51.9 Å²	51.9	34%	0.34	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-52.1	170.6	0	0	0	0	0	112.2	K368 K369 I370 I374 N375 T376	K368-G372 PolarHBondContact O-N 3.41Å; K369-G372 WeakPolarHBondContact O-CA 3.23Å; K369-G372 PolarHBondContact O-N 3.24Å; I370-G372 PolarHBondContact O-N 3.19Å; G372-I374 VanDerWaalsContact C-N 3.33Å; G372-I374 PolarHBondContact O-N 2.84Å; G372-N375 WeakPolarHBondContact O-CB 3.45Å; G372-N375 PolarHBondContact O-N 3.05Å; G372-N375 VanDerWaalsContact O-N 3.1Å; G372-T376 PolarHBondContact O-N 3.42Å; G372-T376 PolarHBondContact O-OG1 3.47Å
373	Y	98.9	Very high	98.7	Very high	30 Å²	30	57.4 Å²	57.4	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-37	176.9	-78.4	-58.7	0	0	0	113.7	K369 I370 N375 T376 G377 T411 I412 E415 I417	K369-Y373 HydrophobicContact CD-CE2 4.4Å; K369-Y373 HydrophobicContact CG-CD2 4.2Å; K369-Y373 HydrophobicContact CG-CE2 3.89Å; K369-Y373 WeakPolarHBondContact O-CD2 3.45Å; K369-Y373 PolarHBondContact O-N 3.04Å; I370-Y373 PolarHBondContact O-N 3.47Å; I370-Y373 VanDerWaalsContact O-N 3.14Å; Y373-N375 VanDerWaalsContact C-N 3.28Å; Y373-N375 PolarHBondContact O-N 3.33Å; Y373-T376 PolarHBondContact O-N 2.83Å; Y373-G377 PolarHBondContact O-N 3.4Å; Y373-T411 HydrophobicContact CD1-CG2 4.18Å; Y373-T411 HydrophobicContact CE1-CG2 3.88Å; Y373-I412 WeakPolarHBondContact O-CG2 3.44Å; Y373-E415 HydrophobicContact CE1-CB 3.91Å; Y373-E415 VanDerWaalsContact CE1-OE2 3.23Å; Y373-E415 WeakPolarHBondContact CE1-OE2 3.14Å; Y373-E415 VanDerWaalsContact CZ-OE2 3.31Å; Y373-E415 PolarHBondContact OH-OE2 3.4Å; Y373-I417 HydrophobicContact CD1-CG1 4.42Å; Y373-I417 HydrophobicContact CD2-CB 4.14Å; Y373-I417 HydrophobicContact CD2-CG1 4.07Å; Y373-I417 HydrophobicContact CD2-CG2 3.93Å; Y373-I417 HydrophobicContact CG-CB 4.48Å; Y373-I417 HydrophobicContact CG-CG1 3.96Å; Y373-I417 HydrophobicContact CG-CG2 4.27Å
374	I	98.9	Very high	98.8	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-42.1	173.6	-70.7	169.6	0	0	0	110.2	I370 L371 G372 G377 K378 G388 I398 T401 V421	I370-I374 HydrophobicContact CG2-CD1 4.12Å; I370-I374 WeakPolarHBondContact O-CG1 3.23Å; I370-I374 PolarHBondContact O-N 3.27Å; L371-I374 HydrophobicContact CD2-CD1 4.38Å; L371-I374 PolarHBondContact O-N 3.46Å; G372-I374 VanDerWaalsContact C-N 3.33Å; G372-I374 PolarHBondContact O-N 2.84Å; I374-G377 PolarHBondContact O-N 3.24Å; I374-K378 WeakPolarHBondContact O-CG 3.34Å; I374-K378 PolarHBondContact O-N 2.89Å; I374-G388 WeakPolarHBondContact CG2-O 3.27Å; I374-I398 HydrophobicContact CD1-CG2 3.82Å; I374-T401 HydrophobicContact CG1-CG2 4.4Å; I374-V421 HydrophobicContact CD1-CG2 3.92Å; I374-V421 HydrophobicContact CG1-CG1 4.27Å; I374-V421 HydrophobicContact CG1-CG2 3.67Å
375	N	98.8	Very high	98.8	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-46.4	175.1	-175.8	36	0	0	0	111.5	L371 G372 Y373 G377 K378 Q379	L371-N375 PolarHBondContact O-N 3.03Å; G372-N375 WeakPolarHBondContact O-CB 3.45Å; G372-N375 PolarHBondContact O-N 3.05Å; G372-N375 VanDerWaalsContact O-N 3.1Å; Y373-N375 VanDerWaalsContact C-N 3.28Å; Y373-N375 PolarHBondContact O-N 3.33Å; N375-G377 VanDerWaalsContact C-N 3.3Å; N375-G377 PolarHBondContact O-N 3.22Å; N375-K378 PolarHBondContact O-N 2.66Å; N375-K378 VanDerWaalsContact O-N 3.12Å; N375-Q379 PolarHBondContact ND2-NE2 3.24Å; N375-Q379 WeakPolarHBondContact O-CG 3.47Å; N375-Q379 PolarHBondContact O-N 3.13Å; N375-Q379 PolarHBondContact OD1-NE2 3.1Å
376	T	98.8	Very high	98.8	Very high	35 Å²	35	52.5 Å²	52.5	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-55.8	-44.4	175.8	-57.9	0	0	0	0	111.9	G372 Y373 K378 Q379 E380 T411	G372-T376 PolarHBondContact O-N 3.42Å; G372-T376 PolarHBondContact O-OG1 3.47Å; Y373-T376 PolarHBondContact O-N 2.83Å; T376-K378 VanDerWaalsContact C-N 3.32Å; T376-K378 PolarHBondContact O-N 3.47Å; T376-Q379 PolarHBondContact O-N 3.26Å; T376-Q379 VanDerWaalsContact O-N 3.14Å; T376-E380 HydrophobicContact CG2-CG 4.13Å; T376-E380 WeakPolarHBondContact CG2-OE1 3.46Å; T376-E380 WeakPolarHBondContact O-CB 3.17Å; T376-E380 WeakPolarHBondContact O-CG 3.47Å; T376-E380 PolarHBondContact O-N 3.12Å; T376-T411 HydrophobicContact CG2-CG2 4.03Å
377	G	98.8	Very high	98.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-43.5	176.5	0	0	0	0	0	113.2	Y373 I374 N375 A382	Y373-G377 PolarHBondContact O-N 3.4Å; I374-G377 PolarHBondContact O-N 3.24Å; N375-G377 VanDerWaalsContact C-N 3.3Å; N375-G377 PolarHBondContact O-N 3.22Å; G377-A382 VanDerWaalsContact O-CB 3.24Å; G377-A382 WeakPolarHBondContact O-CB 3.22Å; G377-A382 PolarHBondContact O-N 2.81Å
378	K	98.5	Very high	98.7	Very high	92 Å²	92	52.1 Å²	52.1	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-42.9	175.5	-62.5	172.7	-163.8	180	0	111.6	I374 N375 T376 G381 L384 G388 F403	I374-K378 WeakPolarHBondContact O-CG 3.34Å; I374-K378 PolarHBondContact O-N 2.89Å; N375-K378 PolarHBondContact O-N 2.66Å; N375-K378 VanDerWaalsContact O-N 3.12Å; T376-K378 VanDerWaalsContact C-N 3.32Å; T376-K378 PolarHBondContact O-N 3.47Å; K378-G381 PolarHBondContact O-N 2.97Å; K378-L384 HydrophobicContact CD-CD2 4.49Å; K378-G388 PolarHBondContact NZ-O 2.62Å; K378-F403 HydrophobicContact CG-CE1 4.03Å; K378-F403 HydrophobicContact CG-CZ 3.98Å
379	Q	98.7	Very high	98.7	Very high	139 Å²	139	47.3 Å²	47.3	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-68.1	-34.5	-178	-71.3	178.4	-13.3	0	0	113.1	N375 T376 G381	N375-Q379 PolarHBondContact ND2-NE2 3.24Å; N375-Q379 WeakPolarHBondContact O-CG 3.47Å; N375-Q379 PolarHBondContact O-N 3.13Å; N375-Q379 PolarHBondContact OD1-NE2 3.1Å; T376-Q379 PolarHBondContact O-N 3.26Å; T376-Q379 VanDerWaalsContact O-N 3.14Å; Q379-G381 PolarHBondContact O-N 3.07Å
380	E	98.6	Very high	98.7	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.8	178.4	-67.4	-180	170.8	0	0	113.4	T376 M410 T411	T376-E380 HydrophobicContact CG2-CG 4.13Å; T376-E380 WeakPolarHBondContact CG2-OE1 3.46Å; T376-E380 WeakPolarHBondContact O-CB 3.17Å; T376-E380 WeakPolarHBondContact O-CG 3.47Å; T376-E380 PolarHBondContact O-N 3.12Å; E380-M410 HydrophobicContact CB-CG 4.35Å; E380-M410 VanDerWaalsContact OE2-CA 3.25Å; E380-M410 WeakPolarHBondContact OE2-CA 3.48Å; E380-M410 WeakPolarHBondContact OE2-CB 3.02Å; E380-T411 VanDerWaalsContact OE1-CB 3.27Å; E380-T411 WeakPolarHBondContact OE1-CB 3.37Å; E380-T411 PolarHBondContact OE1-OG1 2.87Å; E380-T411 PolarHBondContact OE2-N 2.97Å
381	G	98.4	Very high	98.7	Very high	61 Å²	61	49.1 Å²	49.1	63%	0.629	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	13.2	173.8	0	0	0	0	0	115.2	K378 Q379	K378-G381 PolarHBondContact O-N 2.97Å; Q379-G381 PolarHBondContact O-N 3.07Å
382	A	98.6	Very high	98.7	Very high	8 Å²	8	49 Å²	49	7%	0.066	29%	0.292	C	S	.	.			trans	-66.2	140.1	170.3	0	0	0	0	0	110.4	G377 L384 F403 V406 M410 I412	G377-A382 VanDerWaalsContact O-CB 3.24Å; G377-A382 WeakPolarHBondContact O-CB 3.22Å; G377-A382 PolarHBondContact O-N 2.81Å; A382-L384 PolarHBondContact O-N 3.2Å; A382-F403 HydrophobicContact CB-CB 4.17Å; A382-F403 HydrophobicContact CB-CD1 3.56Å; A382-F403 HydrophobicContact CB-CE1 4.18Å; A382-F403 HydrophobicContact CB-CG 4.05Å; A382-V406 HydrophobicContact CB-CG2 4.22Å; A382-M410 HydrophobicContact CB-CE 4.21Å; A382-M410 HydrophobicContact CB-SD 3.82Å; A382-I412 HydrophobicContact CB-CD1 3.74Å
383	K	98.8	Very high	98.6	Very high	121 Å²	121	56.1 Å²	56.1	53%	0.526	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	106.9	-175.7	-171.6	-179.7	177	-179.2	0	110.4	L385 F403 G404 D405	K383-L385 HydrophobicContact CB-CD2 4.48Å; K383-L385 HydrophobicContact CD-CD2 3.83Å; K383-L385 HydrophobicContact CG-CD2 3.79Å; K383-L385 PolarHBondContact O-N 3.27Å; K383-F403 CarbonylContact O-C 3.57Å; K383-F403 WeakPolarHBondContact O-CA 3.16Å; K383-G404 PolarHBondContact N-O 2.84Å; K383-G404 VanDerWaalsContact N-O 3.09Å; K383-G404 PolarHBondContact O-N 3.37Å; K383-D405 HydrophobicContact CB-CB 4.48Å; K383-D405 VanDerWaalsContact CD-OD2 3.29Å; K383-D405 WeakPolarHBondContact CD-OD2 3.4Å
384	L	98.9	Very high	98.5	Very high	69 Å²	69	61 Å²	61	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.5	174.7	-177.2	71.3	0	0	0	110.4	K378 A382 T401 F403	K378-L384 HydrophobicContact CD-CD2 4.49Å; A382-L384 PolarHBondContact O-N 3.2Å; L384-T401 HydrophobicContact CD1-CG2 3.73Å; L384-F403 HydrophobicContact CB-CD1 4.21Å; L384-F403 HydrophobicContact CB-CE1 3.8Å; L384-F403 HydrophobicContact CD1-CD1 4.32Å; L384-F403 HydrophobicContact CD1-CE1 3.8Å; L384-F403 HydrophobicContact CD1-CE2 4.37Å; L384-F403 HydrophobicContact CD1-CZ 3.83Å; L384-F403 HydrophobicContact CG-CE1 4.42Å
385	L	98.8	Very high	98.5	Very high	39 Å²	39	61.6 Å²	61.6	20%	0.204	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-32.1	-176.2	-56.7	-179.7	0	0	0	113.4	V336 V340 K383 V402	V336-L385 HydrophobicContact CG1-CD1 3.38Å; V340-L385 HydrophobicContact CG2-CB 3.55Å; V340-L385 HydrophobicContact CG2-CD1 3.69Å; V340-L385 HydrophobicContact CG2-CG 4.27Å; K383-L385 HydrophobicContact CB-CD2 4.48Å; K383-L385 HydrophobicContact CD-CD2 3.83Å; K383-L385 HydrophobicContact CG-CD2 3.79Å; K383-L385 PolarHBondContact O-N 3.27Å; L385-V402 HydrophobicContact CB-CB 4.41Å; L385-V402 HydrophobicContact CB-CG1 4.46Å; L385-V402 HydrophobicContact CD1-CG1 4.04Å; L385-V402 PolarHBondContact N-O 3.44Å
386	C	98.8	Very high	98.5	Very high	13 Å²	13	59.6 Å²	59.6	9%	0.088	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	166.4	171.5	67.3	0	0	0	0	111.8	V340 K344 T401 V402	V340-C386 HydrophobicContact CG1-CB 4.16Å; K344-C386 HydrophobicContact CD-CB 4.37Å; K344-C386 HydrophobicContact CG-CB 3.85Å; C386-T401 WeakPolarHBondContact O-CA 3.22Å; C386-V402 PolarHBondContact O-N 2.82Å
387	G	98.8	Very high	98.5	Very high	31 Å²	31	58.5 Å²	58.5	32%	0.32	33%	0.327	S	S	.	.			trans	66.3	-135.8	179.1	0	0	0	0	0	112.3	Q399	G387-Q399 VanDerWaalsContact C-OE1 3.27Å
388	G	98.3	Very high	98.5	Very high	9 Å²	9	58.5 Å²	58.5	9%	0.093	33%	0.327	C	S	.	.			trans	89.6	22	174.5	0	0	0	0	0	114.7	I374 K378 T401	I374-G388 WeakPolarHBondContact CG2-O 3.27Å; K378-G388 PolarHBondContact NZ-O 2.62Å; G388-T401 WeakPolarHBondContact CA-OG1 3.41Å; G388-T401 PolarHBondContact N-OG1 2.69Å
389	G	98.4	Very high	98.5	Very high	19 Å²	19	57.6 Å²	57.6	20%	0.196	32%	0.324	C	S	.	.	S	Bend	trans	-157.9	-172.3	178.4	0	0	0	0	0	113.7	Q399	G389-Q399 WeakPolarHBondContact O-CB 3.29Å; G389-Q399 WeakPolarHBondContact O-CG 3.39Å; G389-Q399 PolarHBondContact O-N 3.15Å
390	I	98.8	Very high	98.5	Very high	90 Å²	90	51.7 Å²	51.7	46%	0.462	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-71.5	140.3	178.4	-54.4	177.6	0	0	0	109.3	F367 L371 A392	F367-I390 HydrophobicContact CE1-CD1 4.29Å; F367-I390 HydrophobicContact CE2-CG1 4.39Å; F367-I390 HydrophobicContact CE2-CG2 4.39Å; F367-I390 HydrophobicContact CZ-CB 4.4Å; F367-I390 HydrophobicContact CZ-CD1 3.81Å; F367-I390 HydrophobicContact CZ-CG1 3.69Å; F367-I390 HydrophobicContact CZ-CG2 3.98Å; L371-I390 HydrophobicContact CD1-CD1 4.29Å; L371-I390 HydrophobicContact CD1-CG1 4.02Å; L371-I390 HydrophobicContact CD2-CG1 4.26Å; I390-A392 WeakPolarHBondContact CG2-O 3.36Å
391	A	98.6	Very high	98.5	Very high	43 Å²	43	48.1 Å²	48.1	36%	0.355	28%	0.281	S	S	.	.	S	Bend	trans	-101	-15.8	-177.7	0	0	0	0	0	114.5	V348 F397 Q399	V348-A391 HydrophobicContact CG1-CB 4.04Å; A391-F397 HydrophobicContact CB-CB 3.96Å; A391-F397 PolarHBondContact N-O 3.19Å; A391-Q399 HydrophobicContact CB-CG 3.79Å
392	A	97.9	Very high	98.6	Very high	38 Å²	38	45.2 Å²	45.2	31%	0.314	25%	0.251	S	S	.	.			trans	-150.9	151.5	177.5	0	0	0	0	0	111.4	I390 R394 F397	I390-A392 WeakPolarHBondContact CG2-O 3.36Å; A392-R394 PolarHBondContact O-N 3.34Å; A392-F397 HydrophobicContact CB-CB 4.03Å; A392-F397 HydrophobicContact CB-CD2 3.84Å; A392-F397 HydrophobicContact CB-CG 4.16Å
393	D	96.7	Very high	98.6	Very high	184 Å²	184	44.8 Å²	44.8	98%	0.984	25%	0.248	S	C	*	.	S	Bend	trans	-72.1	-14.8	178.9	-59.9	-30	0	0	0	113.2
394	R	97.9	Very high	98.6	Very high	132 Å²	132	39.1 Å²	39.1	50%	0.498	22%	0.223	S	C	.	.	S	Bend	trans	-134.1	140.2	-178.2	-174.6	174.6	-175.6	175	4.3	110.9	T61 E63 A392 F397	T61-R394 PolarHBondContact O-NE 3.38Å; T61-R394 PolarHBondContact O-NH2 2.85Å; E63-R394 VanDerWaalsContact CG-NH2 3.26Å; E63-R394 IonicContact OE1-CZ 2.78Å; E63-R394 IonicContact OE1-NH2 3.77Å; E63-R394 PolarHBondContact OE1-NH2 3.39Å; E63-R394 IonicContact OE2-NH2 3.11Å; A392-R394 PolarHBondContact O-N 3.34Å; R394-F397 VanDerWaalsContact O-CD2 3.24Å; R394-F397 WeakPolarHBondContact O-CD2 3.39Å; R394-F397 WeakPolarHBondContact O-CE2 3.41Å
395	G	98.4	Very high	98.6	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	22%	0.222	C	C	.	.	S	Bend	trans	76.4	173.1	-173.4	0	0	0	0	0	112.1	P59 S60 F397	P59-G395 CarbonylContact O-C 3.59Å; P59-G395 WeakPolarHBondContact O-CA 3.5Å; S60-G395 WeakPolarHBondContact O-CA 3.37Å; G395-F397 VanDerWaalsContact C-N 3.31Å; G395-F397 PolarHBondContact O-N 2.95Å; G395-F397 VanDerWaalsContact O-N 3.14Å
396	Y	98.8	Very high	98.6	Very high	37 Å²	37	37 Å²	37	15%	0.145	21%	0.213	C	C	.	.	S	Bend	trans	-92.6	50.6	-169.8	-51.8	-51.4	0	0	0	112.6	V57 P59 P360 Q361 E364 F367	V57-Y396 HydrophobicContact CG1-CE2 4.5Å; P59-Y396 HydrophobicContact CB-CD2 3.67Å; P59-Y396 HydrophobicContact CB-CE2 4.17Å; P59-Y396 PolarHBondContact O-N 2.97Å; P360-Y396 WeakPolarHBondContact CA-O 3.42Å; Q361-Y396 WeakPolarHBondContact CG-O 3.33Å; Q361-Y396 PolarHBondContact N-O 2.91Å; Q361-Y396 WeakPolarHBondContact O-CB 3.46Å; E364-Y396 HydrophobicContact CB-CD1 4.35Å; E364-Y396 HydrophobicContact CB-CE1 3.67Å; E364-Y396 HydrophobicContact CG-CE1 4.15Å; F367-Y396 HydrophobicContact CB-CD1 4.25Å; F367-Y396 HydrophobicContact CB-CG 4.34Å; F367-Y396 HydrophobicContact CG-CD1 4.27Å
397	F	98.9	Very high	98.6	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.053	23%	0.234	C	C	.	.			trans	-88.6	127.5	-174.6	-62.4	-89.8	0	0	0	112.6	V348 G349 P360 A391 A392 R394 G395	V348-F397 HydrophobicContact CG1-CB 4.19Å; V348-F397 HydrophobicContact CG1-CD1 3.68Å; V348-F397 HydrophobicContact CG1-CG 4.35Å; G349-F397 WeakPolarHBondContact O-CE1 3.24Å; P360-F397 HydrophobicContact CB-CD1 3.92Å; P360-F397 HydrophobicContact CB-CD2 4.11Å; P360-F397 HydrophobicContact CB-CE1 3.81Å; P360-F397 HydrophobicContact CB-CE2 4.02Å; P360-F397 HydrophobicContact CB-CG 4.08Å; P360-F397 HydrophobicContact CB-CZ 3.87Å; P360-F397 HydrophobicContact CG-CE1 4.09Å; P360-F397 HydrophobicContact CG-CZ 4.01Å; A391-F397 HydrophobicContact CB-CB 3.96Å; A391-F397 PolarHBondContact N-O 3.19Å; A392-F397 HydrophobicContact CB-CB 4.03Å; A392-F397 HydrophobicContact CB-CD2 3.84Å; A392-F397 HydrophobicContact CB-CG 4.16Å; R394-F397 VanDerWaalsContact O-CD2 3.24Å; R394-F397 WeakPolarHBondContact O-CD2 3.39Å; R394-F397 WeakPolarHBondContact O-CE2 3.41Å; G395-F397 VanDerWaalsContact C-N 3.31Å; G395-F397 PolarHBondContact O-N 2.95Å; G395-F397 VanDerWaalsContact O-N 3.14Å
398	I	98.9	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-115.8	139.6	176.4	-61	-178.8	0	0	0	109.7	Q358 Q361 F367 I370 L371 I374 P420	Q358-I398 PolarHBondContact NE2-O 3.31Å; Q361-I398 HydrophobicContact CG-CD1 3.9Å; Q361-I398 HydrophobicContact CG-CG1 4.18Å; F367-I398 HydrophobicContact CD2-CD1 3.75Å; F367-I398 HydrophobicContact CD2-CG1 3.56Å; F367-I398 HydrophobicContact CE2-CD1 4.19Å; F367-I398 HydrophobicContact CE2-CG1 3.59Å; 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 4.44Å; L371-I398 HydrophobicContact CD2-CD1 4.32Å; L371-I398 HydrophobicContact CD2-CG1 4.44Å; L371-I398 HydrophobicContact CG-CD1 4.18Å; I374-I398 HydrophobicContact CD1-CG2 3.82Å; I398-P420 HydrophobicContact CB-CG 4.05Å; I398-P420 HydrophobicContact CG2-CG 3.98Å
399	Q	98.9	Very high	98.6	Very high	73 Å²	73	45 Å²	45	34%	0.341	26%	0.255	S	S	.	.			trans	-64.6	141.3	177.4	-66.8	175.2	-22.3	0	0	111	G387 G389 A391 T401	G387-Q399 VanDerWaalsContact C-OE1 3.27Å; G389-Q399 WeakPolarHBondContact O-CB 3.29Å; G389-Q399 WeakPolarHBondContact O-CG 3.39Å; G389-Q399 PolarHBondContact O-N 3.15Å; A391-Q399 HydrophobicContact CB-CG 3.79Å; Q399-T401 PolarHBondContact O-N 2.82Å; Q399-T401 PolarHBondContact O-OG1 2.97Å
400	P	98.9	Very high	98.6	Very high	15 Å²	15	45 Å²	45	10%	0.097	25%	0.25	C	C	.	.			trans	-58.6	112.6	170.8	-21.1	33.6	0	0	0	109.7	F312 A343 R346 V348	F312-P400 HydrophobicContact CD1-CB 4.21Å; F312-P400 HydrophobicContact CE1-CB 3.71Å; F312-P400 HydrophobicContact CZ-CB 4.25Å; A343-P400 HydrophobicContact CB-CB 4.37Å; R346-P400 HydrophobicContact CB-CG 4.09Å; R346-P400 HydrophobicContact CG-CG 4.23Å; V348-P400 HydrophobicContact CG2-CG 3.87Å
401	T	98.9	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.7	-169.1	-58.9	0	0	0	0	109.8	I374 L384 C386 G388 Q399 F403 P420 V421 M422	I374-T401 HydrophobicContact CG1-CG2 4.4Å; L384-T401 HydrophobicContact CD1-CG2 3.73Å; C386-T401 WeakPolarHBondContact O-CA 3.22Å; G388-T401 WeakPolarHBondContact CA-OG1 3.41Å; G388-T401 PolarHBondContact N-OG1 2.69Å; Q399-T401 PolarHBondContact O-N 2.82Å; Q399-T401 PolarHBondContact O-OG1 2.97Å; T401-F403 HydrophobicContact CG2-CD2 4.22Å; T401-F403 HydrophobicContact CG2-CE2 3.89Å; T401-P420 WeakPolarHBondContact CB-O 3.42Å; T401-P420 PolarHBondContact N-O 2.64Å; T401-V421 HydrophobicContact CG2-CG1 4.13Å; T401-V421 WeakPolarHBondContact O-CA 3.25Å; T401-M422 PolarHBondContact O-N 3.1Å
402	V	98.9	Very high	98.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.2	176.7	-177.3	0	0	0	0	109.4	F312 V340 A343 L385 C386 M422 I424	F312-V402 HydrophobicContact CZ-CG2 4.15Å; V340-V402 HydrophobicContact CG2-CG1 4.25Å; A343-V402 HydrophobicContact CB-CG2 3.64Å; L385-V402 HydrophobicContact CB-CB 4.41Å; L385-V402 HydrophobicContact CB-CG1 4.46Å; L385-V402 HydrophobicContact CD1-CG1 4.04Å; L385-V402 PolarHBondContact N-O 3.44Å; C386-V402 PolarHBondContact O-N 2.82Å; V402-M422 HydrophobicContact CB-CB 4.3Å; V402-M422 HydrophobicContact CG1-CB 4.18Å; V402-M422 HydrophobicContact CG1-SD 4.31Å; V402-M422 HydrophobicContact CG2-CB 4.01Å; V402-M422 HydrophobicContact CG2-SD 4.29Å; V402-I424 HydrophobicContact CG1-CD1 3.69Å; V402-I424 HydrophobicContact CG1-CG1 4.19Å
403	F	98.9	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125	168.1	-75.2	-75	0	0	0	110.4	K378 A382 K383 L384 T401 V406 I412 V421 M422 I424	K378-F403 HydrophobicContact CG-CE1 4.03Å; K378-F403 HydrophobicContact CG-CZ 3.98Å; A382-F403 HydrophobicContact CB-CB 4.17Å; A382-F403 HydrophobicContact CB-CD1 3.56Å; A382-F403 HydrophobicContact CB-CE1 4.18Å; A382-F403 HydrophobicContact CB-CG 4.05Å; K383-F403 CarbonylContact O-C 3.57Å; K383-F403 WeakPolarHBondContact O-CA 3.16Å; L384-F403 HydrophobicContact CB-CD1 4.21Å; L384-F403 HydrophobicContact CB-CE1 3.8Å; L384-F403 HydrophobicContact CD1-CD1 4.32Å; L384-F403 HydrophobicContact CD1-CE1 3.8Å; L384-F403 HydrophobicContact CD1-CE2 4.37Å; L384-F403 HydrophobicContact CD1-CZ 3.83Å; L384-F403 HydrophobicContact CG-CE1 4.42Å; T401-F403 HydrophobicContact CG2-CD2 4.22Å; T401-F403 HydrophobicContact CG2-CE2 3.89Å; F403-V406 HydrophobicContact CB-CG2 3.7Å; F403-I412 HydrophobicContact CB-CD1 4.06Å; F403-I412 HydrophobicContact CD2-CD1 3.84Å; F403-I412 HydrophobicContact CE2-CD1 4.41Å; F403-I412 HydrophobicContact CG-CD1 3.91Å; F403-V421 HydrophobicContact CD2-CG1 3.81Å; F403-V421 HydrophobicContact CE2-CG1 3.9Å; F403-M422 PolarHBondContact N-O 2.86Å; F403-I424 PolarHBondContact O-N 3.19Å
404	G	98.6	Very high	98.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	172	168.2	0	0	0	0	0	111.9	K383 V406	K383-G404 PolarHBondContact N-O 2.84Å; K383-G404 VanDerWaalsContact N-O 3.09Å; K383-G404 PolarHBondContact O-N 3.37Å; G404-V406 PolarHBondContact O-N 2.86Å; G404-V406 VanDerWaalsContact O-N 3.09Å
405	D	98.6	Very high	98.8	Very high	63 Å²	63	32.3 Å²	32.3	34%	0.337	18%	0.175	S	C	.	.	S	Bend	trans	53	28.9	178.3	-56.7	-49.9	0	0	0	113.9	Y332 K383 Q407 I424	Y332-D405 PolarHBondContact OH-N 2.61Å; K383-D405 HydrophobicContact CB-CB 4.48Å; K383-D405 VanDerWaalsContact CD-OD2 3.29Å; K383-D405 WeakPolarHBondContact CD-OD2 3.4Å; D405-Q407 PolarHBondContact O-NE2 2.78Å; D405-Q407 VanDerWaalsContact O-NE2 3.07Å; D405-I424 PolarHBondContact N-O 3.29Å
406	V	98.8	Very high	98.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.174	C	C	.	.			trans	-68.4	137.3	-178.4	176.1	0	0	0	0	110.2	A382 F403 G404 M410 I412 A413 Q423 I424 L425	A382-V406 HydrophobicContact CB-CG2 4.22Å; F403-V406 HydrophobicContact CB-CG2 3.7Å; G404-V406 PolarHBondContact O-N 2.86Å; G404-V406 VanDerWaalsContact O-N 3.09Å; V406-M410 HydrophobicContact CB-SD 4.32Å; V406-M410 HydrophobicContact CG1-SD 3.92Å; V406-I412 HydrophobicContact CG1-CD1 4.46Å; V406-I412 HydrophobicContact CG1-CG1 4.37Å; V406-I412 HydrophobicContact CG2-CD1 4.07Å; V406-A413 HydrophobicContact CG1-CB 3.8Å; V406-Q423 HydrophobicContact CB-CB 4.31Å; V406-Q423 HydrophobicContact CG1-CB 4.1Å; V406-Q423 HydrophobicContact CG1-CG 4.13Å; V406-Q423 HydrophobicContact CG2-CB 4.05Å; V406-Q423 HydrophobicContact CG2-CG 4.21Å; V406-I424 PolarHBondContact N-O 2.83Å; V406-L425 HydrophobicContact CB-CD1 4.48Å; V406-L425 HydrophobicContact CB-CG 4Å; V406-L425 HydrophobicContact CG1-CD1 4.44Å; V406-L425 HydrophobicContact CG1-CD2 4.26Å; V406-L425 HydrophobicContact CG1-CG 4.12Å; V406-L425 WeakPolarHBondContact O-CG 3.34Å
407	Q	98.8	Very high	98.8	Very high	113 Å²	113	31.6 Å²	31.6	53%	0.528	17%	0.169	S	C	.	.			trans	-108	148.9	178.8	-55.6	-57.3	-46.1	0	0	111	D405 G409 M410 A413	D405-Q407 PolarHBondContact O-NE2 2.78Å; D405-Q407 VanDerWaalsContact O-NE2 3.07Å; Q407-G409 PolarHBondContact O-N 2.86Å; Q407-G409 VanDerWaalsContact O-N 3.08Å; Q407-M410 HydrophobicContact CB-CE 4.11Å; Q407-M410 HydrophobicContact CB-CG 4.28Å; Q407-M410 HydrophobicContact CB-SD 4.32Å; Q407-M410 HydrophobicContact CG-CE 3.92Å; Q407-M410 PolarHBondContact N-SD 3.27Å; Q407-M410 VanDerWaalsContact N-SD 3.35Å; Q407-M410 WeakPolarHBondContact O-CB 3.31Å; Q407-M410 PolarHBondContact O-N 2.8Å; Q407-A413 WeakPolarHBondContact O-CB 3.32Å
408	D	98.6	Very high	98.8	Very high	52 Å²	52	32.6 Å²	32.6	28%	0.278	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.2	-175.4	-58.6	-12.2	0	0	0	113	M410 K414 L425 R436	D408-M410 VanDerWaalsContact C-N 3.33Å; D408-M410 PolarHBondContact O-N 3.11Å; D408-K414 WeakPolarHBondContact O-CG 3.27Å; D408-L425 VanDerWaalsContact OD1-CD2 3.23Å; D408-L425 WeakPolarHBondContact OD1-CD2 3.46Å; D408-R436 IonicContact OD1-CZ 3.59Å; D408-R436 IonicContact OD1-NE 2.95Å; D408-R436 PolarHBondContact OD1-NE 3.11Å; D408-R436 IonicContact OD1-NH2 2.8Å; D408-R436 PolarHBondContact OD1-NH2 3.08Å; D408-R436 WeakPolarHBondContact OD2-CG 3.44Å; D408-R436 IonicContact OD2-CZ 3.21Å; D408-R436 IonicContact OD2-NE 3.77Å; D408-R436 PolarHBondContact OD2-NE 2.78Å; D408-R436 IonicContact OD2-NH2 3.34Å
409	G	98.5	Very high	98.7	Very high	56 Å²	56	32.8 Å²	32.8	58%	0.577	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.5	179.1	0	0	0	0	0	115.1	Q407 K414	Q407-G409 PolarHBondContact O-N 2.86Å; Q407-G409 VanDerWaalsContact O-N 3.08Å; G409-K414 VanDerWaalsContact O-CE 3.27Å; G409-K414 WeakPolarHBondContact O-CE 3.4Å; G409-K414 PolarHBondContact O-NZ 2.96Å
410	M	98.8	Very high	98.7	Very high	20 Å²	20	29.3 Å²	29.3	10%	0.099	16%	0.159	C	C	.	.	S	Bend	trans	-70.1	145.5	-178.6	-66.7	173.1	175.9	0	0	111.5	E380 A382 V406 Q407 D408 I412 A413 K414	E380-M410 HydrophobicContact CB-CG 4.35Å; E380-M410 VanDerWaalsContact OE2-CA 3.25Å; E380-M410 WeakPolarHBondContact OE2-CA 3.48Å; E380-M410 WeakPolarHBondContact OE2-CB 3.02Å; A382-M410 HydrophobicContact CB-CE 4.21Å; A382-M410 HydrophobicContact CB-SD 3.82Å; V406-M410 HydrophobicContact CB-SD 4.32Å; V406-M410 HydrophobicContact CG1-SD 3.92Å; Q407-M410 HydrophobicContact CB-CE 4.11Å; Q407-M410 HydrophobicContact CB-CG 4.28Å; Q407-M410 HydrophobicContact CB-SD 4.32Å; Q407-M410 HydrophobicContact CG-CE 3.92Å; Q407-M410 PolarHBondContact N-SD 3.27Å; Q407-M410 VanDerWaalsContact N-SD 3.35Å; Q407-M410 WeakPolarHBondContact O-CB 3.31Å; Q407-M410 PolarHBondContact O-N 2.8Å; D408-M410 VanDerWaalsContact C-N 3.33Å; D408-M410 PolarHBondContact O-N 3.11Å; M410-I412 VanDerWaalsContact C-N 3.31Å; M410-I412 HydrophobicContact CB-CG1 4.13Å; M410-I412 PolarHBondContact O-N 3.42Å; M410-A413 HydrophobicContact CB-CB 4.32Å; M410-A413 WeakPolarHBondContact O-CB 3.45Å; M410-A413 PolarHBondContact O-N 2.91Å; M410-K414 WeakPolarHBondContact O-CE 3.23Å; M410-K414 WeakPolarHBondContact O-CG 3.44Å; M410-K414 PolarHBondContact O-N 3.1Å
411	T	98.8	Very high	98.7	Very high	24 Å²	24	28.7 Å²	28.7	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-44.2	176.7	-61.9	0	0	0	0	111.2	Y373 T376 E380 A413 K414 E415	Y373-T411 HydrophobicContact CD1-CG2 4.18Å; Y373-T411 HydrophobicContact CE1-CG2 3.88Å; T376-T411 HydrophobicContact CG2-CG2 4.03Å; E380-T411 VanDerWaalsContact OE1-CB 3.27Å; E380-T411 WeakPolarHBondContact OE1-CB 3.37Å; E380-T411 PolarHBondContact OE1-OG1 2.87Å; E380-T411 PolarHBondContact OE2-N 2.97Å; T411-A413 PolarHBondContact O-N 3.47Å; T411-A413 VanDerWaalsContact O-N 3.13Å; T411-K414 PolarHBondContact O-N 3.38Å; T411-E415 HydrophobicContact CG2-CB 4.45Å; T411-E415 HydrophobicContact CG2-CG 4.11Å; T411-E415 PolarHBondContact O-N 3.23Å
412	I	98.8	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-18.1	177.7	62.8	168	0	0	0	113.5	K289 Y373 A382 F403 V406 M410 I417 Q423	K289-I412 VanDerWaalsContact CE-O 3.24Å; K289-I412 WeakPolarHBondContact CE-O 3.49Å; K289-I412 PolarHBondContact NZ-O 3.18Å; Y373-I412 WeakPolarHBondContact O-CG2 3.44Å; A382-I412 HydrophobicContact CB-CD1 3.74Å; F403-I412 HydrophobicContact CB-CD1 4.06Å; F403-I412 HydrophobicContact CD2-CD1 3.84Å; F403-I412 HydrophobicContact CE2-CD1 4.41Å; F403-I412 HydrophobicContact CG-CD1 3.91Å; V406-I412 HydrophobicContact CG1-CD1 4.46Å; V406-I412 HydrophobicContact CG1-CG1 4.37Å; V406-I412 HydrophobicContact CG2-CD1 4.07Å; M410-I412 VanDerWaalsContact C-N 3.31Å; M410-I412 HydrophobicContact CB-CG1 4.13Å; M410-I412 PolarHBondContact O-N 3.42Å; I412-I417 HydrophobicContact CB-CD1 4.03Å; I412-I417 HydrophobicContact CG2-CD1 4.17Å; I412-Q423 HydrophobicContact CB-CG 4.24Å; I412-Q423 HydrophobicContact CD1-CG 4.08Å; I412-Q423 HydrophobicContact CG1-CG 4.11Å; I412-Q423 WeakPolarHBondContact O-CG 3.48Å
413	A	98.7	Very high	98.7	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-88.6	-18.1	173.9	0	0	0	0	0	113.1	K289 R324 V406 Q407 M410 T411	K289-A413 WeakPolarHBondContact CE-O 3.02Å; K289-A413 WeakPolarHBondContact CG-O 3.44Å; R324-A413 VanDerWaalsContact CD-O 3.29Å; R324-A413 WeakPolarHBondContact CD-O 3.35Å; V406-A413 HydrophobicContact CG1-CB 3.8Å; Q407-A413 WeakPolarHBondContact O-CB 3.32Å; M410-A413 HydrophobicContact CB-CB 4.32Å; M410-A413 WeakPolarHBondContact O-CB 3.45Å; M410-A413 PolarHBondContact O-N 2.91Å; T411-A413 PolarHBondContact O-N 3.47Å; T411-A413 VanDerWaalsContact O-N 3.13Å
414	K	98.8	Very high	98.7	Very high	106 Å²	106	28.8 Å²	28.8	46%	0.461	16%	0.156	S	C	.	.	H	α-helix	trans	-107.9	-39.1	-173.6	-64.3	175.1	-55.2	-165.8	0	113.3	D408 G409 M410 T411	D408-K414 WeakPolarHBondContact O-CG 3.27Å; G409-K414 VanDerWaalsContact O-CE 3.27Å; G409-K414 WeakPolarHBondContact O-CE 3.4Å; G409-K414 PolarHBondContact O-NZ 2.96Å; M410-K414 WeakPolarHBondContact O-CE 3.23Å; M410-K414 WeakPolarHBondContact O-CG 3.44Å; M410-K414 PolarHBondContact O-N 3.1Å; T411-K414 PolarHBondContact O-N 3.38Å
415	E	98.8	Very high	98.8	Very high	85 Å²	85	28.7 Å²	28.7	40%	0.397	16%	0.155	S	C	.	.	S	Bend	trans	-95.7	147.6	-172.6	-62.7	-172.3	-163.6	0	0	112.5	K289 Y373 T411 I417	K289-E415 VanDerWaalsContact CD-O 3.28Å; K289-E415 WeakPolarHBondContact CD-O 3.46Å; K289-E415 WeakPolarHBondContact CE-O 3.36Å; K289-E415 PolarHBondContact NZ-O 3.36Å; Y373-E415 HydrophobicContact CE1-CB 3.91Å; Y373-E415 VanDerWaalsContact CE1-OE2 3.23Å; Y373-E415 WeakPolarHBondContact CE1-OE2 3.14Å; Y373-E415 VanDerWaalsContact CZ-OE2 3.31Å; Y373-E415 PolarHBondContact OH-OE2 3.4Å; T411-E415 HydrophobicContact CG2-CB 4.45Å; T411-E415 HydrophobicContact CG2-CG 4.11Å; T411-E415 PolarHBondContact O-N 3.23Å; E415-I417 PolarHBondContact O-N 3.04Å
416	E	98.6	Very high	98.8	Very high	33 Å²	33	29.4 Å²	29.4	15%	0.154	16%	0.155	C	C	.	.			trans	-73.9	109.5	175.4	-176.3	177.6	-128.9	0	0	109.7	G287 G288 F418	G287-E416 VanDerWaalsContact CA-OE1 3.28Å; G287-E416 WeakPolarHBondContact CA-OE1 3.38Å; G287-E416 WeakPolarHBondContact CA-OE2 3.47Å; G288-E416 PolarHBondContact N-OE1 2.94Å; E416-F418 HydrophobicContact CG-CB 4.3Å; E416-F418 HydrophobicContact CG-CD2 3.94Å
417	I	98.8	Very high	98.8	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	16%	0.156	C	C	.	.			trans	-78	-39.6	-179.5	-59.4	174.4	0	0	0	110.7	I370 Y373 I412 E415 V421	I370-I417 HydrophobicContact CG1-CG2 4.34Å; I370-I417 HydrophobicContact CG2-CG2 4.19Å; Y373-I417 HydrophobicContact CD1-CG1 4.42Å; Y373-I417 HydrophobicContact CD2-CB 4.14Å; Y373-I417 HydrophobicContact CD2-CG1 4.07Å; Y373-I417 HydrophobicContact CD2-CG2 3.93Å; Y373-I417 HydrophobicContact CG-CB 4.48Å; Y373-I417 HydrophobicContact CG-CG1 3.96Å; Y373-I417 HydrophobicContact CG-CG2 4.27Å; I412-I417 HydrophobicContact CB-CD1 4.03Å; I412-I417 HydrophobicContact CG2-CD1 4.17Å; E415-I417 PolarHBondContact O-N 3.04Å; I417-V421 HydrophobicContact CD1-CB 3.99Å; I417-V421 HydrophobicContact CD1-CG1 4.03Å; I417-V421 HydrophobicContact CG2-CB 4.13Å; I417-V421 HydrophobicContact CG2-CG2 3.89Å
418	F	98.6	Very high	98.8	Very high	32 Å²	32	29.6 Å²	29.6	14%	0.14	15%	0.154	C	C	.	.			trans	59.1	43.1	-179.7	-139.7	-113.9	0	0	0	113.5	W185 N186 G316 Q317 C318 I370 E416	W185-F418 AromaticContact CH2-CD1 3.47Å; W185-F418 HydrophobicContact CH2-CD1 3.47Å; W185-F418 VanDerWaalsContact CH2-CD1 3.47Å; W185-F418 AromaticContact CH2-CE1 3.34Å; W185-F418 HydrophobicContact CH2-CE1 3.34Å; W185-F418 AromaticContact CZ2-CD1 3.71Å; W185-F418 HydrophobicContact CZ2-CD1 3.71Å; W185-F418 AromaticContact CZ2-CE1 3.57Å; W185-F418 HydrophobicContact CZ2-CE1 3.57Å; W185-F418 HydrophobicContact CZ3-CD1 4.48Å; W185-F418 HydrophobicContact CZ3-CE1 4.03Å; N186-F418 HydrophobicContact CB-CE1 4.08Å; N186-F418 HydrophobicContact CB-CZ 4.12Å; G316-F418 CarbonylContact O-C 3.55Å; G316-F418 VanDerWaalsContact O-C 3.25Å; G316-F418 WeakPolarHBondContact O-CA 3.34Å; Q317-F418 VanDerWaalsContact C-CZ 3.47Å; Q317-F418 HydrophobicContact CB-CD1 3.85Å; Q317-F418 HydrophobicContact CB-CE1 3.69Å; Q317-F418 HydrophobicContact CB-CZ 4.32Å; Q317-F418 HydrophobicContact CG-CD1 4.23Å; Q317-F418 HydrophobicContact CG-CE1 4.5Å; C318-F418 VanDerWaalsContact C-CE2 3.44Å; I370-F418 WeakPolarHBondContact CD1-O 3.42Å; E416-F418 HydrophobicContact CG-CB 4.3Å; E416-F418 HydrophobicContact CG-CD2 3.94Å
419	G	98.8	Very high	98.8	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.157	C	C	.	.	S	Bend	trans	-158.7	178.3	-177.4	0	0	0	0	0	112	Q315 G316 V421	Q315-G419 CarbonylContact O-C 3.6Å; Q315-G419 WeakPolarHBondContact O-CA 3.47Å; G316-G419 PolarHBondContact O-N 3.25Å; G419-V421 PolarHBondContact O-N 2.84Å
420	P	98.8	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-80.7	61.1	-170.7	35.2	-38.8	0	0	0	111.4	F312 Q315 I398 T401	F312-P420 HydrophobicContact CD1-CB 3.67Å; F312-P420 HydrophobicContact CE1-CB 3.87Å; F312-P420 WeakPolarHBondContact CE1-O 3.33Å; Q315-P420 WeakPolarHBondContact O-CD 3.43Å; I398-P420 HydrophobicContact CB-CG 4.05Å; I398-P420 HydrophobicContact CG2-CG 3.98Å; T401-P420 WeakPolarHBondContact CB-O 3.42Å; T401-P420 PolarHBondContact N-O 2.64Å
421	V	98.9	Very high	98.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	104.5	-175	-166.7	0	0	0	0	110.2	I370 I374 T401 F403 I417 G419 Q423	I370-V421 HydrophobicContact CG2-CG2 3.86Å; I374-V421 HydrophobicContact CD1-CG2 3.92Å; I374-V421 HydrophobicContact CG1-CG1 4.27Å; I374-V421 HydrophobicContact CG1-CG2 3.67Å; T401-V421 HydrophobicContact CG2-CG1 4.13Å; T401-V421 WeakPolarHBondContact O-CA 3.25Å; F403-V421 HydrophobicContact CD2-CG1 3.81Å; F403-V421 HydrophobicContact CE2-CG1 3.9Å; I417-V421 HydrophobicContact CD1-CB 3.99Å; I417-V421 HydrophobicContact CD1-CG1 4.03Å; I417-V421 HydrophobicContact CG2-CB 4.13Å; I417-V421 HydrophobicContact CG2-CG2 3.89Å; G419-V421 PolarHBondContact O-N 2.84Å; V421-Q423 PolarHBondContact O-NE2 3.26Å; V421-Q423 VanDerWaalsContact O-NE2 3.11Å; V421-Q423 PolarHBondContact O-OE1 3.41Å; V421-Q423 VanDerWaalsContact O-OE1 3.09Å
422	M	98.9	Very high	98.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.9	-176.7	-160.8	176.1	-177.6	0	0	110.6	A307 L311 F312 T325 F335 T401 V402 F403 I424	A307-M422 HydrophobicContact CB-CE 4.07Å; L311-M422 HydrophobicContact CD1-CB 4.36Å; L311-M422 HydrophobicContact CD1-CG 4.27Å; L311-M422 HydrophobicContact CD2-CB 3.42Å; L311-M422 VanDerWaalsContact CD2-CB 3.42Å; L311-M422 HydrophobicContact CD2-CG 3.82Å; L311-M422 HydrophobicContact CG-CB 4.43Å; L311-M422 HydrophobicContact CG-CG 4.46Å; F312-M422 HydrophobicContact CE2-CB 4.24Å; F312-M422 HydrophobicContact CE2-SD 4.15Å; F312-M422 HydrophobicContact CZ-CB 4.05Å; T325-M422 HydrophobicContact CG2-CE 4.01Å; T325-M422 WeakPolarHBondContact OG1-CE 3.19Å; F335-M422 HydrophobicContact CE1-CE 4.3Å; T401-M422 PolarHBondContact O-N 3.1Å; V402-M422 HydrophobicContact CB-CB 4.3Å; V402-M422 HydrophobicContact CG1-CB 4.18Å; V402-M422 HydrophobicContact CG1-SD 4.31Å; V402-M422 HydrophobicContact CG2-CB 4.01Å; V402-M422 HydrophobicContact CG2-SD 4.29Å; F403-M422 PolarHBondContact N-O 2.86Å; M422-I424 HydrophobicContact CE-CD1 4.08Å; M422-I424 HydrophobicContact CE-CG1 4.02Å; M422-I424 HydrophobicContact CG-CG1 4.11Å; M422-I424 HydrophobicContact SD-CD1 4.01Å; M422-I424 HydrophobicContact SD-CG1 4.1Å
423	Q	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.6	169.7	-67.3	64.1	-122.6	0	0	108.7	S323 T325 V406 I412 V421 L425	S323-Q423 WeakPolarHBondContact O-CB 3.27Å; S323-Q423 PolarHBondContact O-NE2 3.4Å; T325-Q423 WeakPolarHBondContact CB-O 3.28Å; T325-Q423 PolarHBondContact N-O 2.96Å; V406-Q423 HydrophobicContact CB-CB 4.31Å; V406-Q423 HydrophobicContact CG1-CB 4.1Å; V406-Q423 HydrophobicContact CG1-CG 4.13Å; V406-Q423 HydrophobicContact CG2-CB 4.05Å; V406-Q423 HydrophobicContact CG2-CG 4.21Å; I412-Q423 HydrophobicContact CB-CG 4.24Å; I412-Q423 HydrophobicContact CD1-CG 4.08Å; I412-Q423 HydrophobicContact CG1-CG 4.11Å; I412-Q423 WeakPolarHBondContact O-CG 3.48Å; V421-Q423 PolarHBondContact O-NE2 3.26Å; V421-Q423 VanDerWaalsContact O-NE2 3.11Å; V421-Q423 PolarHBondContact O-OE1 3.41Å; V421-Q423 VanDerWaalsContact O-OE1 3.09Å; Q423-L425 HydrophobicContact CB-CD1 4.14Å
424	I	98.9	Very high	98.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.7	175.8	-47.1	-179.1	0	0	0	109.5	T325 V327 Y332 F335 V336 V402 F403 D405 V406 M422	T325-I424 CarbonylContact O-C 3.5Å; T325-I424 WeakPolarHBondContact O-CA 3.45Å; V327-I424 HydrophobicContact CG2-CG2 3.82Å; Y332-I424 HydrophobicContact CD2-CG2 4.49Å; Y332-I424 HydrophobicContact CE2-CG2 3.72Å; Y332-I424 PolarHBondContact OH-O 3.35Å; Y332-I424 VanDerWaalsContact OH-O 3.1Å; F335-I424 HydrophobicContact CD1-CG2 4.46Å; F335-I424 HydrophobicContact CE1-CD1 4.44Å; V336-I424 HydrophobicContact CG2-CB 4.45Å; V336-I424 HydrophobicContact CG2-CD1 4.05Å; V336-I424 HydrophobicContact CG2-CG2 3.9Å; V402-I424 HydrophobicContact CG1-CD1 3.69Å; V402-I424 HydrophobicContact CG1-CG1 4.19Å; F403-I424 PolarHBondContact O-N 3.19Å; D405-I424 PolarHBondContact N-O 3.29Å; V406-I424 PolarHBondContact N-O 2.83Å; M422-I424 HydrophobicContact CE-CD1 4.08Å; M422-I424 HydrophobicContact CE-CG1 4.02Å; M422-I424 HydrophobicContact CG-CG1 4.11Å; M422-I424 HydrophobicContact SD-CD1 4.01Å; M422-I424 HydrophobicContact SD-CG1 4.1Å
425	L	98.9	Very high	98.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.7	-177.3	-58.3	91	0	0	0	109.4	R324 T325 F326 V327 V406 D408 Q423	R324-L425 HydrophobicContact CB-CD1 3.92Å; R324-L425 HydrophobicContact CG-CD1 4.31Å; T325-L425 PolarHBondContact O-N 3.27Å; F326-L425 CarbonylContact C-O 3.56Å; F326-L425 WeakPolarHBondContact CA-O 3.42Å; F326-L425 HydrophobicContact CD1-CB 3.73Å; F326-L425 HydrophobicContact CD1-CD2 4.46Å; F326-L425 HydrophobicContact CE1-CB 3.89Å; F326-L425 HydrophobicContact CE1-CD2 3.76Å; F326-L425 HydrophobicContact CE1-CG 4.27Å; F326-L425 HydrophobicContact CG-CB 4.4Å; F326-L425 HydrophobicContact CZ-CD2 4.01Å; V327-L425 PolarHBondContact N-O 2.98Å; V406-L425 HydrophobicContact CB-CD1 4.48Å; V406-L425 HydrophobicContact CB-CG 4Å; V406-L425 HydrophobicContact CG1-CD1 4.44Å; V406-L425 HydrophobicContact CG1-CD2 4.26Å; V406-L425 HydrophobicContact CG1-CG 4.12Å; V406-L425 WeakPolarHBondContact O-CG 3.34Å; D408-L425 VanDerWaalsContact OD1-CD2 3.23Å; D408-L425 WeakPolarHBondContact OD1-CD2 3.46Å; Q423-L425 HydrophobicContact CB-CD1 4.14Å
426	K	98.9	Very high	98.8	Very high	78 Å²	78	30.4 Å²	30.4	34%	0.339	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	142.7	175.6	-162.4	173.3	-50.7	-151.9	0	109.9	V327 E329 Y332 D333 R436	V327-K426 WeakPolarHBondContact O-CA 3.47Å; E329-K426 HydrophobicContact CB-CD 3.99Å; E329-K426 HydrophobicContact CB-CG 4.01Å; Y332-K426 HydrophobicContact CD1-CD 4.4Å; Y332-K426 HydrophobicContact CD2-CB 3.61Å; Y332-K426 HydrophobicContact CD2-CD 4.24Å; Y332-K426 HydrophobicContact CD2-CG 3.65Å; Y332-K426 HydrophobicContact CE2-CB 3.65Å; Y332-K426 HydrophobicContact CE2-CG 4.21Å; Y332-K426 HydrophobicContact CG-CB 4.28Å; Y332-K426 HydrophobicContact CG-CD 4.05Å; Y332-K426 HydrophobicContact CG-CG 3.93Å; D333-K426 IonicContact OD1-NZ 2.88Å; K426-R436 PolarHBondContact O-NH1 2.71Å
427	F	98.9	Very high	98.8	Very high	4 Å²	4	29 Å²	29	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	163.9	170.3	77	-86.8	0	0	0	110.9	I293 I294 M295 F326 V327 Q328 E329 T429 V433	I293-F427 HydrophobicContact CG2-CE1 4.1Å; I293-F427 HydrophobicContact CG2-CZ 3.94Å; I294-F427 WeakPolarHBondContact O-CE1 3.32Å; M295-F427 HydrophobicContact CE-CE2 4.26Å; M295-F427 HydrophobicContact CE-CZ 4.35Å; M295-F427 HydrophobicContact SD-CE2 4.11Å; M295-F427 HydrophobicContact SD-CZ 3.69Å; F326-F427 HydrophobicContact CB-CD1 3.75Å; F326-F427 HydrophobicContact CB-CE1 4.07Å; V327-F427 WeakPolarHBondContact O-CD1 3.43Å; V327-F427 PolarHBondContact O-N 3.49Å; V327-F427 VanDerWaalsContact O-N 3.11Å; Q328-F427 CarbonylContact C-O 3.42Å; Q328-F427 WeakPolarHBondContact CA-O 3.1Å; Q328-F427 HydrophobicContact CB-CE1 3.94Å; Q328-F427 HydrophobicContact CB-CE2 4.01Å; Q328-F427 HydrophobicContact CB-CZ 3.62Å; Q328-F427 HydrophobicContact CG-CD2 4.48Å; Q328-F427 HydrophobicContact CG-CE2 3.97Å; Q328-F427 HydrophobicContact CG-CZ 4.11Å; E329-F427 PolarHBondContact N-O 3.47Å; F427-T429 WeakPolarHBondContact CD2-O 3.49Å; F427-V433 HydrophobicContact CB-CB 4.22Å; F427-V433 HydrophobicContact CB-CG2 4.35Å; F427-V433 HydrophobicContact CD1-CB 4.33Å; F427-V433 HydrophobicContact CD1-CG2 3.95Å; F427-V433 HydrophobicContact CD2-CB 3.57Å; F427-V433 HydrophobicContact CD2-CG1 3.97Å; F427-V433 HydrophobicContact CD2-CG2 4.12Å; F427-V433 HydrophobicContact CE1-CG2 4.21Å; F427-V433 HydrophobicContact CE2-CB 3.93Å; F427-V433 HydrophobicContact CE2-CG1 3.82Å; F427-V433 HydrophobicContact CE2-CG2 4.39Å; F427-V433 HydrophobicContact CG-CB 3.79Å; F427-V433 HydrophobicContact CG-CG2 3.88Å; F427-V433 HydrophobicContact CZ-CB 4.43Å; F427-V433 HydrophobicContact CZ-CG1 4.3Å; F427-V433 HydrophobicContact CZ-CG2 4.43Å
428	K	98.8	Very high	98.8	Very high	114 Å²	114	30 Å²	30	50%	0.496	16%	0.156	S	C	.	.			trans	-111.6	-53.5	-178.5	-177.4	168.1	-172.8	153.1	0	113.7	Q328 E329 E432	Q328-K428 PolarHBondContact NE2-O 3.26Å; E329-K428 HydrophobicContact CG-CG 4.46Å; E329-K428 VanDerWaalsContact OE1-CD 3.32Å; E329-K428 WeakPolarHBondContact OE1-CD 3.17Å; E329-K428 WeakPolarHBondContact OE1-CE 3.46Å; E329-K428 WeakPolarHBondContact OE1-CG 3.21Å; E329-K428 IonicContact OE1-NZ 2.74Å; E329-K428 PolarHBondContact OE1-NZ 2.88Å; K428-E432 WeakPolarHBondContact CB-OE2 3.32Å; K428-E432 PolarHBondContact N-OE2 3.43Å
429	T	98.8	Very high	98.8	Very high	55 Å²	55	34.7 Å²	34.7	34%	0.337	18%	0.183	S	C	.	.			trans	-112.2	159.3	-174.3	89.6	0	0	0	0	113	F427 E431 E432 V433	F427-T429 WeakPolarHBondContact CD2-O 3.49Å; T429-E431 VanDerWaalsContact C-N 3.33Å; T429-E431 VanDerWaalsContact CB-OE2 3.25Å; T429-E431 WeakPolarHBondContact CB-OE2 3.46Å; T429-E431 PolarHBondContact OG1-N 2.93Å; T429-E431 PolarHBondContact OG1-OE2 2.81Å; T429-E432 PolarHBondContact N-OE2 2.64Å; T429-E432 PolarHBondContact O-N 3.14Å; T429-E432 WeakPolarHBondContact OG1-CB 3.42Å; T429-E432 PolarHBondContact OG1-N 3.05Å; T429-V433 PolarHBondContact O-N 2.83Å; T429-V433 VanDerWaalsContact O-N 3.11Å
430	I	98.8	Very high	98.8	Very high	30 Å²	30	35.6 Å²	35.6	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-35.1	179.4	-163.4	173.5	0	0	0	111.5	M295 V433 V434 K455 Y458 L459	M295-I430 HydrophobicContact CE-CB 4.25Å; M295-I430 HydrophobicContact CE-CD1 4.34Å; M295-I430 HydrophobicContact CE-CG1 4.17Å; I430-V433 WeakPolarHBondContact O-CG1 3.48Å; I430-V434 VanDerWaalsContact O-CG2 3.3Å; I430-V434 WeakPolarHBondContact O-CG2 3.44Å; I430-V434 PolarHBondContact O-N 3.37Å; I430-V434 VanDerWaalsContact O-N 3.14Å; I430-K455 HydrophobicContact CD1-CB 4.1Å; I430-K455 HydrophobicContact CD1-CG 3.98Å; I430-Y458 HydrophobicContact CD1-CD1 3.62Å; I430-Y458 HydrophobicContact CD1-CE1 4.13Å; I430-Y458 HydrophobicContact CG1-CD1 3.96Å; I430-Y458 HydrophobicContact CG1-CE1 3.99Å; I430-Y458 HydrophobicContact CG2-CE1 4.46Å; I430-L459 HydrophobicContact CD1-CD1 4.01Å; I430-L459 HydrophobicContact CD1-CD2 4.23Å; I430-L459 HydrophobicContact CD1-CG 3.89Å; I430-L459 HydrophobicContact CG1-CD1 4.1Å; I430-L459 HydrophobicContact CG1-CD2 3.7Å; I430-L459 HydrophobicContact CG1-CG 3.93Å
431	E	98.6	Very high	98.8	Very high	116 Å²	116	39.7 Å²	39.7	54%	0.542	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-42.1	176.8	-54.8	75.2	-162.5	0	0	111.1	T429 V434 G435	T429-E431 VanDerWaalsContact C-N 3.33Å; T429-E431 VanDerWaalsContact CB-OE2 3.25Å; T429-E431 WeakPolarHBondContact CB-OE2 3.46Å; T429-E431 PolarHBondContact OG1-N 2.93Å; T429-E431 PolarHBondContact OG1-OE2 2.81Å; E431-V434 PolarHBondContact O-N 2.96Å; E431-G435 PolarHBondContact O-N 3.19Å; E431-G435 VanDerWaalsContact O-N 3.15Å
432	E	98.7	Very high	98.8	Very high	67 Å²	67	41.6 Å²	41.6	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-51.5	176.5	-174.7	-149.5	145.7	0	0	110.8	K428 T429 V434 G435 R436	K428-E432 WeakPolarHBondContact CB-OE2 3.32Å; K428-E432 PolarHBondContact N-OE2 3.43Å; T429-E432 PolarHBondContact N-OE2 2.64Å; T429-E432 PolarHBondContact O-N 3.14Å; T429-E432 WeakPolarHBondContact OG1-CB 3.42Å; T429-E432 PolarHBondContact OG1-N 3.05Å; E432-V434 VanDerWaalsContact C-N 3.33Å; E432-V434 PolarHBondContact O-N 3.34Å; E432-G435 PolarHBondContact O-N 3.4Å; E432-R436 WeakPolarHBondContact O-CG 3.35Å; E432-R436 PolarHBondContact O-N 2.84Å; E432-R436 WeakPolarHBondContact OE1-CD 3.36Å; E432-R436 IonicContact OE1-CZ 2.73Å; E432-R436 IonicContact OE1-NE 3.7Å; E432-R436 IonicContact OE1-NH1 2.8Å; E432-R436 PolarHBondContact OE1-NH1 2.84Å
433	V	98.8	Very high	98.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-32.3	-176.5	74.5	0	0	0	0	112.2	I293 F326 F427 T429 I430 R436 A437 L459	I293-V433 HydrophobicContact CD1-CG1 4.29Å; I293-V433 HydrophobicContact CD1-CG2 3.91Å; I293-V433 HydrophobicContact CG1-CG2 3.9Å; I293-V433 HydrophobicContact CG2-CG1 4.07Å; I293-V433 HydrophobicContact CG2-CG2 3.98Å; F326-V433 HydrophobicContact CB-CG2 3.7Å; F326-V433 HydrophobicContact CD1-CG2 4.03Å; F326-V433 HydrophobicContact CD2-CG2 4.42Å; F326-V433 HydrophobicContact CG-CG2 3.81Å; F427-V433 HydrophobicContact CB-CB 4.22Å; F427-V433 HydrophobicContact CB-CG2 4.35Å; F427-V433 HydrophobicContact CD1-CB 4.33Å; F427-V433 HydrophobicContact CD1-CG2 3.95Å; F427-V433 HydrophobicContact CD2-CB 3.57Å; F427-V433 HydrophobicContact CD2-CG1 3.97Å; F427-V433 HydrophobicContact CD2-CG2 4.12Å; F427-V433 HydrophobicContact CE1-CG2 4.21Å; F427-V433 HydrophobicContact CE2-CB 3.93Å; F427-V433 HydrophobicContact CE2-CG1 3.82Å; F427-V433 HydrophobicContact CE2-CG2 4.39Å; F427-V433 HydrophobicContact CG-CB 3.79Å; F427-V433 HydrophobicContact CG-CG2 3.88Å; F427-V433 HydrophobicContact CZ-CB 4.43Å; F427-V433 HydrophobicContact CZ-CG1 4.3Å; F427-V433 HydrophobicContact CZ-CG2 4.43Å; T429-V433 PolarHBondContact O-N 2.83Å; T429-V433 VanDerWaalsContact O-N 3.11Å; I430-V433 WeakPolarHBondContact O-CG1 3.48Å; V433-R436 PolarHBondContact O-N 3.29Å; V433-A437 WeakPolarHBondContact O-CB 3.24Å; V433-A437 PolarHBondContact O-N 2.9Å; V433-L459 HydrophobicContact CG1-CD2 4.41Å
434	V	98.8	Very high	98.8	Very high	16 Å²	16	41.9 Å²	41.9	10%	0.097	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-49.3	171.8	167.1	0	0	0	0	110.8	I430 E431 E432 R436 A437 N438 Y458 L459 A462	I430-V434 VanDerWaalsContact O-CG2 3.3Å; I430-V434 WeakPolarHBondContact O-CG2 3.44Å; I430-V434 PolarHBondContact O-N 3.37Å; I430-V434 VanDerWaalsContact O-N 3.14Å; E431-V434 PolarHBondContact O-N 2.96Å; E432-V434 VanDerWaalsContact C-N 3.33Å; E432-V434 PolarHBondContact O-N 3.34Å; V434-R436 VanDerWaalsContact C-N 3.35Å; V434-R436 PolarHBondContact O-N 3.31Å; V434-A437 PolarHBondContact O-N 2.95Å; V434-N438 VanDerWaalsContact O-CB 3.31Å; V434-N438 WeakPolarHBondContact O-CB 3.3Å; V434-N438 PolarHBondContact O-N 3.34Å; V434-N438 PolarHBondContact O-ND2 3.32Å; V434-Y458 HydrophobicContact CG2-CE1 3.87Å; V434-L459 HydrophobicContact CG2-CD2 3.45Å; V434-L459 VanDerWaalsContact CG2-CD2 3.45Å; V434-A462 HydrophobicContact CG1-CB 3.9Å; V434-A462 HydrophobicContact CG2-CB 4.09Å
435	G	98.7	Very high	98.8	Very high	45 Å²	45	41.9 Å²	41.9	46%	0.464	22%	0.223	S	C	.	.	H	α-helix	trans	-58.1	-47.4	178.8	0	0	0	0	0	111.9	E431 E432 N438 N439	E431-G435 PolarHBondContact O-N 3.19Å; E431-G435 VanDerWaalsContact O-N 3.15Å; E432-G435 PolarHBondContact O-N 3.4Å; G435-N438 PolarHBondContact O-N 3.09Å; G435-N439 VanDerWaalsContact O-CB 3.29Å; G435-N439 WeakPolarHBondContact O-CB 3.48Å; G435-N439 PolarHBondContact O-N 3.27Å
436	R	98.8	Very high	98.8	Very high	35 Å²	35	41.9 Å²	41.9	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-40.1	-179.2	-64.1	171.8	63.5	-162.9	-4.1	113	R324 F326 D408 K426 E432 V433 V434 N438 N439	R324-R436 PolarHBondContact NH1-O 2.81Å; F326-R436 HydrophobicContact CE1-CB 4.08Å; F326-R436 HydrophobicContact CZ-CB 4.27Å; D408-R436 IonicContact OD1-CZ 3.59Å; D408-R436 IonicContact OD1-NE 2.95Å; D408-R436 PolarHBondContact OD1-NE 3.11Å; D408-R436 IonicContact OD1-NH2 2.8Å; D408-R436 PolarHBondContact OD1-NH2 3.08Å; D408-R436 WeakPolarHBondContact OD2-CG 3.44Å; D408-R436 IonicContact OD2-CZ 3.21Å; D408-R436 IonicContact OD2-NE 3.77Å; D408-R436 PolarHBondContact OD2-NE 2.78Å; D408-R436 IonicContact OD2-NH2 3.34Å; K426-R436 PolarHBondContact O-NH1 2.71Å; E432-R436 WeakPolarHBondContact O-CG 3.35Å; E432-R436 PolarHBondContact O-N 2.84Å; E432-R436 WeakPolarHBondContact OE1-CD 3.36Å; E432-R436 IonicContact OE1-CZ 2.73Å; E432-R436 IonicContact OE1-NE 3.7Å; E432-R436 IonicContact OE1-NH1 2.8Å; E432-R436 PolarHBondContact OE1-NH1 2.84Å; V433-R436 PolarHBondContact O-N 3.29Å; V434-R436 VanDerWaalsContact C-N 3.35Å; V434-R436 PolarHBondContact O-N 3.31Å; R436-N438 VanDerWaalsContact C-N 3.34Å; R436-N438 PolarHBondContact O-N 3.29Å; R436-N439 PolarHBondContact O-N 2.78Å
437	A	98.8	Very high	98.8	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-44.2	175.7	0	0	0	0	0	111.2	P291 I293 R324 V433 V434 L463	P291-A437 HydrophobicContact CB-CB 3.81Å; P291-A437 HydrophobicContact CG-CB 3.78Å; I293-A437 HydrophobicContact CD1-CB 4.07Å; R324-A437 PolarHBondContact NH1-O 3.5Å; R324-A437 PolarHBondContact NH2-O 3.3Å; V433-A437 WeakPolarHBondContact O-CB 3.24Å; V433-A437 PolarHBondContact O-N 2.9Å; V434-A437 PolarHBondContact O-N 2.95Å; A437-L463 HydrophobicContact CB-CD2 3.58Å
438	N	98.9	Very high	98.8	Very high	26 Å²	26	38 Å²	38	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-80.9	-16.2	-179.7	-72.5	-23.3	0	0	0	114.3	V434 G435 R436 S440 A462 Q464 K486	V434-N438 VanDerWaalsContact O-CB 3.31Å; V434-N438 WeakPolarHBondContact O-CB 3.3Å; V434-N438 PolarHBondContact O-N 3.34Å; V434-N438 PolarHBondContact O-ND2 3.32Å; G435-N438 PolarHBondContact O-N 3.09Å; R436-N438 VanDerWaalsContact C-N 3.34Å; R436-N438 PolarHBondContact O-N 3.29Å; N438-S440 PolarHBondContact O-N 3.1Å; N438-A462 PolarHBondContact ND2-O 3.02Å; N438-Q464 PolarHBondContact OD1-N 2.92Å; N438-K486 PolarHBondContact O-NZ 3.33Å
439	N	98.8	Very high	98.8	Very high	131 Å²	131	32.6 Å²	32.6	70%	0.701	18%	0.183	S	C	*	.			trans	-74.9	65	174	-169.4	18.4	0	0	0	111.5	G435 R436	G435-N439 VanDerWaalsContact O-CB 3.29Å; G435-N439 WeakPolarHBondContact O-CB 3.48Å; G435-N439 PolarHBondContact O-N 3.27Å; R436-N439 PolarHBondContact O-N 2.78Å
440	S	98.6	Very high	98.8	Very high	23 Å²	23	30.1 Å²	30.1	16%	0.161	17%	0.168	C	C	.	.	S	Bend	trans	-146.8	148.5	174.9	-172.6	0	0	0	0	108.6	N438 Y442 K486	N438-S440 PolarHBondContact O-N 3.1Å; S440-Y442 PolarHBondContact OG-N 3.5Å; S440-Y442 VanDerWaalsContact OG-N 3.14Å; S440-K486 WeakPolarHBondContact O-CD 3.49Å; S440-K486 PolarHBondContact O-NZ 3.44Å
441	T	98.6	Very high	98.8	Very high	86 Å²	86	35.7 Å²	35.7	53%	0.528	19%	0.191	S	C	.	.	S	Bend	trans	-72.8	-18.5	167.5	52.3	0	0	0	0	111.8	K486 M487	T441-K486 WeakPolarHBondContact O-CB 3.41Å; T441-M487 HydrophobicContact CG2-SD 4.33Å; T441-M487 WeakPolarHBondContact O-CB 3.35Å; T441-M487 PolarHBondContact O-N 3.47Å
442	Y	98.8	Very high	98.8	Very high	42 Å²	42	33.1 Å²	33.1	17%	0.165	18%	0.181	C	C	.	.			trans	-83.9	161.4	173.2	-66.3	-54.6	0	0	0	112.6	T264 G287 K289 S440 S488	T264-Y442 HydrophobicContact CG2-CE1 4.32Å; T264-Y442 WeakPolarHBondContact OG1-CE1 3.47Å; G287-Y442 VanDerWaalsContact O-CD1 3.26Å; G287-Y442 WeakPolarHBondContact O-CD1 3.35Å; K289-Y442 HydrophobicContact CB-CD2 3.66Å; K289-Y442 HydrophobicContact CB-CE2 4.42Å; K289-Y442 HydrophobicContact CB-CG 4.43Å; S440-Y442 PolarHBondContact OG-N 3.5Å; S440-Y442 VanDerWaalsContact OG-N 3.14Å; Y442-S488 WeakPolarHBondContact CA-OG 3.35Å; Y442-S488 WeakPolarHBondContact CB-OG 3.38Å; Y442-S488 WeakPolarHBondContact CD1-OG 3.48Å
443	G	98.6	Very high	98.8	Very high	6 Å²	6	35.7 Å²	35.7	6%	0.062	20%	0.196	C	C	.	.			trans	-167.4	39.8	179.4	0	0	0	0	0	112.4	Q464 A465 G466 Y485 S488	G443-Q464 WeakPolarHBondContact CA-O 3.26Å; G443-A465 WeakPolarHBondContact O-CA 3.45Å; G443-G466 PolarHBondContact O-N 3.26Å; G443-Y485 WeakPolarHBondContact O-CB 3.18Å; G443-Y485 PolarHBondContact O-N 3.46Å; G443-S488 PolarHBondContact N-OG 3.28Å
444	L	98.6	Very high	98.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-72.6	-61.8	-176.9	-169.7	55.2	0	0	0	111.9	C319 C320 G466 T467 F482 S488	C319-L444 VanDerWaalsContact C-CD2 3.48Å; C319-L444 HydrophobicContact CB-CD2 3.54Å; C319-L444 WeakPolarHBondContact O-CD2 3.43Å; C320-L444 HydrophobicContact CB-CD2 4.18Å; C320-L444 HydrophobicContact CB-CG 4.42Å; L444-G466 WeakPolarHBondContact O-CA 3.45Å; L444-G466 PolarHBondContact O-N 3.11Å; L444-T467 PolarHBondContact O-N 3.2Å; L444-F482 HydrophobicContact CD1-CE1 3.77Å; L444-F482 HydrophobicContact CD1-CE2 4.45Å; L444-F482 HydrophobicContact CD1-CZ 3.69Å; L444-F482 HydrophobicContact CD2-CE1 4.26Å; L444-F482 HydrophobicContact CD2-CZ 3.83Å; L444-F482 HydrophobicContact CG-CE1 4.23Å; L444-F482 HydrophobicContact CG-CE2 4.39Å; L444-F482 HydrophobicContact CG-CZ 3.67Å; L444-S488 PolarHBondContact N-OG 2.85Å
445	A	98.8	Very high	98.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	166.9	179.2	0	0	0	0	0	111.2	S290 P291 C320 T467 W469	S290-A445 WeakPolarHBondContact CA-O 3.46Å; S290-A445 WeakPolarHBondContact CB-O 3.15Å; S290-A445 PolarHBondContact OG-O 2.78Å; P291-A445 WeakPolarHBondContact CD-O 3.13Å; C320-A445 HydrophobicContact CB-CB 3.73Å; A445-T467 CarbonylContact C-O 3.5Å; A445-T467 WeakPolarHBondContact CA-O 3.36Å; A445-W469 HydrophobicContact CB-CE3 4.39Å; A445-W469 HydrophobicContact CB-CH2 4.01Å; A445-W469 HydrophobicContact CB-CZ3 3.66Å
446	A	98.9	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166	167.6	0	0	0	0	0	109.9	P291 L463 A465 T467 V468 W469	P291-A446 HydrophobicContact CG-CB 3.86Å; P291-A446 CarbonylContact O-C 3.39Å; P291-A446 VanDerWaalsContact O-CA 3.23Å; P291-A446 WeakPolarHBondContact O-CA 3.42Å; A446-L463 HydrophobicContact CB-CB 4.44Å; A446-L463 HydrophobicContact CB-CD1 3.95Å; A446-A465 HydrophobicContact CB-CB 3.8Å; A446-T467 PolarHBondContact N-O 3.02Å; A446-V468 HydrophobicContact CB-CG2 4.42Å; A446-V468 WeakPolarHBondContact O-CA 3.47Å; A446-W469 PolarHBondContact O-N 2.86Å
447	A	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.4	167.6	0	0	0	0	0	113.2	P291 I293 F449 W469 Y473	P291-A447 PolarHBondContact O-N 2.93Å; I293-A447 PolarHBondContact N-O 3.36Å; A447-F449 HydrophobicContact CB-CE2 4.07Å; A447-W469 CarbonylContact C-O 3.53Å; A447-W469 WeakPolarHBondContact CA-O 3.47Å; A447-W469 HydrophobicContact CB-CB 4.02Å; A447-Y473 HydrophobicContact CB-CD2 3.27Å; A447-Y473 HydrophobicContact CB-CE2 3.32Å; A447-Y473 HydrophobicContact CB-CG 4.44Å
448	V	98.9	Very high	98.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.1	-179.2	179.8	0	0	0	0	109	I293 T450 L459 L463 V468 W469 V470 N471	I293-V448 CarbonylContact O-C 3.6Å; I293-V448 WeakPolarHBondContact O-CA 3.33Å; V448-T450 HydrophobicContact CG1-CG2 3.84Å; V448-L459 HydrophobicContact CB-CB 4.45Å; V448-L459 HydrophobicContact CB-CD1 4.42Å; V448-L459 HydrophobicContact CG1-CB 4.09Å; V448-L459 HydrophobicContact CG1-CD1 3.41Å; V448-L459 VanDerWaalsContact CG1-CD1 3.41Å; V448-L459 HydrophobicContact CG1-CG 4.37Å; V448-L459 HydrophobicContact CG2-CB 3.55Å; V448-L459 HydrophobicContact CG2-CD1 4.11Å; V448-L459 HydrophobicContact CG2-CG 4.39Å; V448-L463 HydrophobicContact CG2-CD1 3.68Å; V448-V468 HydrophobicContact CG2-CG1 4.29Å; V448-W469 PolarHBondContact N-O 2.89Å; V448-V470 CarbonylContact O-C 3.43Å; V448-V470 WeakPolarHBondContact O-CA 3.43Å; V448-N471 PolarHBondContact O-N 2.79Å
449	F	98.9	Very high	98.8	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.5	173.9	-72.8	-102	0	0	0	109.5	N292 I293 I294 M295 A298 W302 A303 Q306 A447 N471	N292-F449 WeakPolarHBondContact OD1-CD2 3.36Å; N292-F449 VanDerWaalsContact OD1-CE2 3.26Å; N292-F449 WeakPolarHBondContact OD1-CE2 3.48Å; I293-F449 PolarHBondContact O-N 3.19Å; I294-F449 HydrophobicContact CD1-CB 3.87Å; I294-F449 HydrophobicContact CD1-CD2 3.5Å; I294-F449 VanDerWaalsContact CD1-CD2 3.5Å; I294-F449 HydrophobicContact CD1-CE2 4.28Å; I294-F449 HydrophobicContact CD1-CG 3.79Å; I294-F449 HydrophobicContact CG2-CB 4.43Å; M295-F449 WeakPolarHBondContact CB-O 3.14Å; M295-F449 WeakPolarHBondContact CG-O 3.33Å; M295-F449 PolarHBondContact N-O 3.34Å; A298-F449 HydrophobicContact CB-CB 3.97Å; W302-F449 AromaticContact CD1-CE1 3.91Å; W302-F449 AromaticContact NE1-CE1 3.79Å; A303-F449 HydrophobicContact CB-CB 4.37Å; A303-F449 HydrophobicContact CB-CD1 4.07Å; A303-F449 HydrophobicContact CB-CG 4.33Å; Q306-F449 HydrophobicContact CB-CE1 3.58Å; Q306-F449 HydrophobicContact CB-CE2 4.46Å; Q306-F449 HydrophobicContact CB-CZ 3.41Å; Q306-F449 VanDerWaalsContact CB-CZ 3.41Å; Q306-F449 HydrophobicContact CG-CE1 3.8Å; Q306-F449 HydrophobicContact CG-CZ 3.94Å; A447-F449 HydrophobicContact CB-CE2 4.07Å; F449-N471 VanDerWaalsContact CA-OD1 3.3Å; F449-N471 WeakPolarHBondContact CA-OD1 3.41Å
450	T	98.9	Very high	98.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	22%	0.224	C	C	.	.			trans	-165.9	150.5	-176.3	-175.6	0	0	0	0	109.6	D297 V448 D452 K455 A456 N471	D297-T450 VanDerWaalsContact CG-OG1 3.32Å; D297-T450 PolarHBondContact OD1-OG1 3.19Å; D297-T450 VanDerWaalsContact OD1-OG1 3.12Å; D297-T450 PolarHBondContact OD2-OG1 3.5Å; V448-T450 HydrophobicContact CG1-CG2 3.84Å; T450-D452 PolarHBondContact OG1-N 2.83Å; T450-K455 HydrophobicContact CG2-CB 4.15Å; T450-A456 HydrophobicContact CG2-CB 3.87Å; T450-N471 PolarHBondContact N-OD1 2.86Å; T450-N471 PolarHBondContact O-ND2 3.28Å; T450-N471 PolarHBondContact O-OD1 3.31Å; T450-N471 VanDerWaalsContact O-OD1 3.13Å
451	K	98.8	Very high	98.8	Very high	148 Å²	148	50.6 Å²	50.6	64%	0.643	26%	0.255	S	S	*	.	S	Bend	trans	-92.8	-14.8	172.1	-68.7	176.2	-174	174.1	0	111.9	D297	D297-K451 VanDerWaalsContact O-CD 3.26Å; D297-K451 WeakPolarHBondContact O-CD 3.26Å; D297-K451 VanDerWaalsContact O-CG 3.27Å; D297-K451 WeakPolarHBondContact O-CG 3.48Å; D297-K451 PolarHBondContact OD2-N 3.09Å
452	D	98.8	Very high	98.8	Very high	61 Å²	61	47.8 Å²	47.8	33%	0.326	24%	0.241	S	C	.	.			trans	-81.1	128.5	-178.8	-172.5	-81.7	0	0	0	112.4	D297 T450 D454 K455 A456	D297-D452 PolarHBondContact OD2-N 2.78Å; D297-D452 VanDerWaalsContact OD2-N 3.09Å; T450-D452 PolarHBondContact OG1-N 2.83Å; D452-D454 WeakPolarHBondContact OD1-CA 3.45Å; D452-D454 WeakPolarHBondContact OD1-CB 3.44Å; D452-D454 PolarHBondContact OD1-N 2.88Å; D452-K455 HydrophobicContact CB-CB 4.09Å; D452-K455 HydrophobicContact CB-CD 3.83Å; D452-K455 HydrophobicContact CB-CG 3.91Å; D452-K455 WeakPolarHBondContact OD1-CG 3.37Å; D452-K455 PolarHBondContact OD1-N 2.97Å; D452-A456 WeakPolarHBondContact O-CB 3.15Å; D452-A456 PolarHBondContact O-N 2.77Å; D452-A456 VanDerWaalsContact O-N 3.16Å
453	L	98.6	Very high	98.8	Very high	121 Å²	121	46.3 Å²	46.3	63%	0.634	24%	0.235	S	C	*	.	H	α-helix	trans	-68	-40.8	-177.9	178.9	62	0	0	0	112.5	A456 N457	L453-A456 PolarHBondContact O-N 2.81Å; L453-N457 PolarHBondContact O-N 2.9Å; L453-N457 PolarHBondContact O-ND2 3.08Å
454	D	98.8	Very high	98.8	Very high	121 Å²	121	50.4 Å²	50.4	65%	0.647	25%	0.253	S	S	*	.	H	α-helix	trans	-70.5	-41.6	-175.8	-68.6	-15.9	0	0	0	110.2	D452 N457 Y458	D452-D454 WeakPolarHBondContact OD1-CA 3.45Å; D452-D454 WeakPolarHBondContact OD1-CB 3.44Å; D452-D454 PolarHBondContact OD1-N 2.88Å; D454-N457 PolarHBondContact O-N 3.42Å; D454-Y458 WeakPolarHBondContact O-CB 3.24Å; D454-Y458 PolarHBondContact O-N 3.49Å
455	K	98.8	Very high	98.8	Very high	54 Å²	54	50.9 Å²	50.9	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-45.2	173.2	-64.6	-177.4	-164.7	174.9	0	111.6	M295 D297 I430 T450 D452 Y458 L459	M295-K455 HydrophobicContact CE-CD 4.06Å; D297-K455 IonicContact OD1-NZ 2.67Å; D297-K455 PolarHBondContact OD1-NZ 3.37Å; I430-K455 HydrophobicContact CD1-CB 4.1Å; I430-K455 HydrophobicContact CD1-CG 3.98Å; T450-K455 HydrophobicContact CG2-CB 4.15Å; D452-K455 HydrophobicContact CB-CB 4.09Å; D452-K455 HydrophobicContact CB-CD 3.83Å; D452-K455 HydrophobicContact CB-CG 3.91Å; D452-K455 WeakPolarHBondContact OD1-CG 3.37Å; D452-K455 PolarHBondContact OD1-N 2.97Å; K455-Y458 PolarHBondContact O-N 3.24Å; K455-L459 VanDerWaalsContact O-CB 3.3Å; K455-L459 WeakPolarHBondContact O-CB 3.39Å; K455-L459 WeakPolarHBondContact O-CG 3.48Å; K455-L459 PolarHBondContact O-N 3.07Å
456	A	98.8	Very high	98.8	Very high	12 Å²	12	51.8 Å²	51.8	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-47.3	179.3	0	0	0	0	0	111.8	T450 D452 L453 S460 V470	T450-A456 HydrophobicContact CG2-CB 3.87Å; D452-A456 WeakPolarHBondContact O-CB 3.15Å; D452-A456 PolarHBondContact O-N 2.77Å; D452-A456 VanDerWaalsContact O-N 3.16Å; L453-A456 PolarHBondContact O-N 2.81Å; A456-S460 VanDerWaalsContact O-CB 3.27Å; A456-S460 WeakPolarHBondContact O-CB 2.82Å; A456-S460 PolarHBondContact O-N 2.67Å; A456-S460 PolarHBondContact O-OG 3.49Å; A456-V470 HydrophobicContact CB-CG1 3.93Å
457	N	98.8	Very high	98.8	Very high	87 Å²	87	53.1 Å²	53.1	47%	0.465	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-46	178.5	-72.6	-32.1	0	0	0	111.9	L453 D454 S460 Q461	L453-N457 PolarHBondContact O-N 2.9Å; L453-N457 PolarHBondContact O-ND2 3.08Å; D454-N457 PolarHBondContact O-N 3.42Å; N457-S460 PolarHBondContact O-OG 3.12Å; N457-S460 VanDerWaalsContact O-OG 3.09Å; N457-Q461 WeakPolarHBondContact O-CB 3.22Å; N457-Q461 PolarHBondContact O-N 2.85Å; N457-Q461 VanDerWaalsContact O-N 3.08Å
458	Y	98.8	Very high	98.8	Very high	102 Å²	102	55 Å²	55	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-51.1	178.5	174	-99.5	0	0	0	111.8	I430 V434 D454 K455 Q461 A462	I430-Y458 HydrophobicContact CD1-CD1 3.62Å; I430-Y458 HydrophobicContact CD1-CE1 4.13Å; I430-Y458 HydrophobicContact CG1-CD1 3.96Å; I430-Y458 HydrophobicContact CG1-CE1 3.99Å; I430-Y458 HydrophobicContact CG2-CE1 4.46Å; V434-Y458 HydrophobicContact CG2-CE1 3.87Å; D454-Y458 WeakPolarHBondContact O-CB 3.24Å; D454-Y458 PolarHBondContact O-N 3.49Å; K455-Y458 PolarHBondContact O-N 3.24Å; Y458-Q461 PolarHBondContact O-N 2.87Å; Y458-A462 VanDerWaalsContact O-CB 3.22Å; Y458-A462 WeakPolarHBondContact O-CB 3.29Å; Y458-A462 PolarHBondContact O-N 2.84Å
459	L	98.8	Very high	98.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-43.3	-177.5	-72.5	166.9	0	0	0	111.7	I293 M295 I430 V433 V434 V448 K455 Q461 A462 L463	I293-L459 HydrophobicContact CD1-CD2 4.49Å; M295-L459 HydrophobicContact CG-CD1 4.37Å; M295-L459 HydrophobicContact SD-CD1 3.94Å; I430-L459 HydrophobicContact CD1-CD1 4.01Å; I430-L459 HydrophobicContact CD1-CD2 4.23Å; I430-L459 HydrophobicContact CD1-CG 3.89Å; I430-L459 HydrophobicContact CG1-CD1 4.1Å; I430-L459 HydrophobicContact CG1-CD2 3.7Å; I430-L459 HydrophobicContact CG1-CG 3.93Å; V433-L459 HydrophobicContact CG1-CD2 4.41Å; V434-L459 HydrophobicContact CG2-CD2 3.45Å; V434-L459 VanDerWaalsContact CG2-CD2 3.45Å; V448-L459 HydrophobicContact CB-CB 4.45Å; V448-L459 HydrophobicContact CB-CD1 4.42Å; V448-L459 HydrophobicContact CG1-CB 4.09Å; V448-L459 HydrophobicContact CG1-CD1 3.41Å; V448-L459 VanDerWaalsContact CG1-CD1 3.41Å; V448-L459 HydrophobicContact CG1-CG 4.37Å; V448-L459 HydrophobicContact CG2-CB 3.55Å; V448-L459 HydrophobicContact CG2-CD1 4.11Å; V448-L459 HydrophobicContact CG2-CG 4.39Å; K455-L459 VanDerWaalsContact O-CB 3.3Å; K455-L459 WeakPolarHBondContact O-CB 3.39Å; K455-L459 WeakPolarHBondContact O-CG 3.48Å; K455-L459 PolarHBondContact O-N 3.07Å; L459-Q461 VanDerWaalsContact C-N 3.26Å; L459-Q461 PolarHBondContact O-N 3.14Å; L459-A462 PolarHBondContact O-N 3.26Å; L459-L463 HydrophobicContact CB-CD1 4.4Å; L459-L463 WeakPolarHBondContact O-CB 3.29Å; L459-L463 WeakPolarHBondContact O-CD1 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.35Å; L459-L463 PolarHBondContact O-N 3.32Å
460	S	98.6	Very high	98.8	Very high	43 Å²	43	58.4 Å²	58.4	30%	0.301	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-33.4	178.7	58	0	0	0	0	113	A456 N457	A456-S460 VanDerWaalsContact O-CB 3.27Å; A456-S460 WeakPolarHBondContact O-CB 2.82Å; A456-S460 PolarHBondContact O-N 2.67Å; A456-S460 PolarHBondContact O-OG 3.49Å; N457-S460 PolarHBondContact O-OG 3.12Å; N457-S460 VanDerWaalsContact O-OG 3.09Å
461	Q	98.8	Very high	98.8	Very high	174 Å²	174	61 Å²	61	81%	0.813	32%	0.319	S	S	*	.	H	α-helix	trans	-74.8	-39.7	172.8	-178.4	178.1	-29.4	0	0	112.9	N457 Y458 L459	N457-Q461 WeakPolarHBondContact O-CB 3.22Å; N457-Q461 PolarHBondContact O-N 2.85Å; N457-Q461 VanDerWaalsContact O-N 3.08Å; Y458-Q461 PolarHBondContact O-N 2.87Å; L459-Q461 VanDerWaalsContact C-N 3.26Å; L459-Q461 PolarHBondContact O-N 3.14Å
462	A	98.8	Very high	98.8	Very high	28 Å²	28	55.3 Å²	55.3	23%	0.231	30%	0.298	C	S	.	.	H	α-helix	trans	-79.4	-24.7	-172.6	0	0	0	0	0	113.8	V434 N438 Y458 L459	V434-A462 HydrophobicContact CG1-CB 3.9Å; V434-A462 HydrophobicContact CG2-CB 4.09Å; N438-A462 PolarHBondContact ND2-O 3.02Å; Y458-A462 VanDerWaalsContact O-CB 3.22Å; Y458-A462 WeakPolarHBondContact O-CB 3.29Å; Y458-A462 PolarHBondContact O-N 2.84Å; L459-A462 PolarHBondContact O-N 3.26Å
463	L	98.8	Very high	98.8	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.058	28%	0.282	C	S	.	.			trans	-74.6	127.7	-178	-72.1	165.7	0	0	0	111.9	I293 A437 A446 V448 L459 A465 V468	I293-L463 HydrophobicContact CD1-CD1 4.18Å; I293-L463 HydrophobicContact CD1-CD2 3.94Å; A437-L463 HydrophobicContact CB-CD2 3.58Å; A446-L463 HydrophobicContact CB-CB 4.44Å; A446-L463 HydrophobicContact CB-CD1 3.95Å; V448-L463 HydrophobicContact CG2-CD1 3.68Å; L459-L463 HydrophobicContact CB-CD1 4.4Å; L459-L463 WeakPolarHBondContact O-CB 3.29Å; L459-L463 WeakPolarHBondContact O-CD1 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.35Å; L459-L463 PolarHBondContact O-N 3.32Å; L463-A465 VanDerWaalsContact C-N 3.27Å; L463-A465 PolarHBondContact O-N 2.87Å; L463-A465 VanDerWaalsContact O-N 3.07Å; L463-V468 HydrophobicContact CB-CG2 4.12Å; L463-V468 HydrophobicContact CD1-CG1 4.01Å
464	Q	98.8	Very high	98.7	Very high	91 Å²	91	47.5 Å²	47.5	43%	0.425	26%	0.256	S	S	.	.			trans	-88.4	63.1	-180	-63.7	173.7	0	0	0	110.8	N438 G443 Y485	N438-Q464 PolarHBondContact OD1-N 2.92Å; G443-Q464 WeakPolarHBondContact CA-O 3.26Å; Q464-Y485 HydrophobicContact CB-CD1 4.47Å
465	A	98.8	Very high	98.7	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	25%	0.249	C	C	.	.			trans	-127.2	152.1	178.9	0	0	0	0	0	111.5	G443 A446 L463 T467 V468	G443-A465 WeakPolarHBondContact O-CA 3.45Å; A446-A465 HydrophobicContact CB-CB 3.8Å; L463-A465 VanDerWaalsContact C-N 3.27Å; L463-A465 PolarHBondContact O-N 2.87Å; L463-A465 VanDerWaalsContact O-N 3.07Å; A465-T467 VanDerWaalsContact C-N 3.33Å; A465-V468 HydrophobicContact CB-CG2 4.28Å
466	G	98.6	Very high	98.6	Very high	21 Å²	21	45.7 Å²	45.7	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	-67.8	-31.2	178.4	0	0	0	0	0	114.8	G443 L444 G483	G443-G466 PolarHBondContact O-N 3.26Å; L444-G466 WeakPolarHBondContact O-CA 3.45Å; L444-G466 PolarHBondContact O-N 3.11Å; G466-G483 WeakPolarHBondContact CA-O 3.29Å
467	T	98.9	Very high	98.5	Very high	27 Å²	27	46 Å²	46	17%	0.166	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131	174.5	-59.2	0	0	0	0	108.8	L444 A445 A446 A465 W469	L444-T467 PolarHBondContact O-N 3.2Å; A445-T467 CarbonylContact C-O 3.5Å; A445-T467 WeakPolarHBondContact CA-O 3.36Å; A446-T467 PolarHBondContact N-O 3.02Å; A465-T467 VanDerWaalsContact C-N 3.33Å; T467-W469 HydrophobicContact CG2-CD2 4.18Å; T467-W469 HydrophobicContact CG2-CG 4.48Å; T467-W469 HydrophobicContact CG2-CZ2 4.01Å
468	V	98.9	Very high	98.5	Very high	40 Å²	40	42.5 Å²	42.5	24%	0.242	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.4	172.3	-173.2	0	0	0	0	109	A446 V448 L463 A465	A446-V468 HydrophobicContact CB-CG2 4.42Å; A446-V468 WeakPolarHBondContact O-CA 3.47Å; V448-V468 HydrophobicContact CG2-CG1 4.29Å; L463-V468 HydrophobicContact CB-CG2 4.12Å; L463-V468 HydrophobicContact CD1-CG1 4.01Å; A465-V468 HydrophobicContact CB-CG2 4.28Å
469	W	98.9	Very high	98.4	Very high	16 Å²	16	43.5 Å²	43.5	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142	174.1	-64.2	-65.1	0	0	0	111	C320 A445 A446 A447 V448 T467 C472 Y473 D474 V475 F476	C320-W469 HydrophobicContact CB-CH2 4.14Å; C320-W469 HydrophobicContact CB-CZ3 4.48Å; A445-W469 HydrophobicContact CB-CE3 4.39Å; A445-W469 HydrophobicContact CB-CH2 4.01Å; A445-W469 HydrophobicContact CB-CZ3 3.66Å; A446-W469 PolarHBondContact O-N 2.86Å; A447-W469 CarbonylContact C-O 3.53Å; A447-W469 WeakPolarHBondContact CA-O 3.47Å; A447-W469 HydrophobicContact CB-CB 4.02Å; V448-W469 PolarHBondContact N-O 2.89Å; T467-W469 HydrophobicContact CG2-CD2 4.18Å; T467-W469 HydrophobicContact CG2-CG 4.48Å; T467-W469 HydrophobicContact CG2-CZ2 4.01Å; W469-C472 WeakPolarHBondContact CB-O 3.5Å; W469-Y473 AromaticContact CE3-CD1 3.8Å; W469-Y473 HydrophobicContact CE3-CD1 3.8Å; W469-Y473 HydrophobicContact CE3-CD2 4.05Å; W469-Y473 AromaticContact CE3-CE1 3.86Å; W469-Y473 HydrophobicContact CE3-CE1 3.86Å; W469-Y473 HydrophobicContact CE3-CE2 4.09Å; W469-Y473 AromaticContact CE3-CG 3.88Å; W469-Y473 HydrophobicContact CE3-CG 3.88Å; W469-Y473 AromaticContact CE3-CZ 3.98Å; W469-Y473 HydrophobicContact CH2-CD1 4.37Å; W469-Y473 HydrophobicContact CH2-CE1 4.29Å; W469-Y473 AromaticContact CZ3-CD1 3.54Å; W469-Y473 HydrophobicContact CZ3-CD1 3.54Å; W469-Y473 HydrophobicContact CZ3-CD2 4.5Å; W469-Y473 AromaticContact CZ3-CE1 3.33Å; W469-Y473 HydrophobicContact CZ3-CE1 3.33Å; W469-Y473 HydrophobicContact CZ3-CE2 4.33Å; W469-Y473 HydrophobicContact CZ3-CG 4.12Å; W469-Y473 AromaticContact CZ3-CZ 3.74Å; W469-D474 WeakPolarHBondContact CH2-OD1 3.35Å; W469-V475 PolarHBondContact NE1-O 2.99Å; W469-V475 VanDerWaalsContact NE1-O 3.13Å; W469-F476 HydrophobicContact CH2-CE2 4.42Å; W469-F476 HydrophobicContact CH2-CZ 4.23Å; W469-F476 HydrophobicContact CZ2-CE2 4.27Å; W469-F476 HydrophobicContact CZ2-CZ 4.19Å
470	V	98.9	Very high	98.4	Very high	56 Å²	56	47 Å²	47	34%	0.339	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.8	176	-178.8	0	0	0	0	108.6	V448 A456 C472	V448-V470 CarbonylContact O-C 3.43Å; V448-V470 WeakPolarHBondContact O-CA 3.43Å; A456-V470 HydrophobicContact CB-CG1 3.93Å; V470-C472 PolarHBondContact O-N 2.85Å
471	N	98.8	Very high	98.4	Very high	58 Å²	58	47.2 Å²	47.2	31%	0.31	27%	0.27	S	S	.	.	S	Bend	trans	56.2	28.9	-175.8	-62.6	-44.6	0	0	0	114.5	W302 V448 F449 T450	W302-N471 PolarHBondContact NE1-O 3.41Å; V448-N471 PolarHBondContact O-N 2.79Å; F449-N471 VanDerWaalsContact CA-OD1 3.3Å; F449-N471 WeakPolarHBondContact CA-OD1 3.41Å; T450-N471 PolarHBondContact N-OD1 2.86Å; T450-N471 PolarHBondContact O-ND2 3.28Å; T450-N471 PolarHBondContact O-OD1 3.31Å; T450-N471 VanDerWaalsContact O-OD1 3.13Å
472	C	98.8	Very high	98.4	Very high	28 Å²	28	39.2 Å²	39.2	19%	0.189	23%	0.233	C	C	.	.			trans	-158.2	174.5	172.5	61.5	0	0	0	0	110	W469 V470 V475	W469-C472 WeakPolarHBondContact CB-O 3.5Å; V470-C472 PolarHBondContact O-N 2.85Å; C472-V475 HydrophobicContact CB-CG2 3.74Å
473	Y	98.7	Very high	98.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	22%	0.222	C	C	.	.	S	Bend	trans	-148.5	152.4	173.2	-144.2	-82.2	0	0	0	110.8	S290 N292 Q306 A310 C320 G322 A447 W469 V475	S290-Y473 WeakPolarHBondContact CB-OH 3.44Å; N292-Y473 HydrophobicContact CB-CD2 4.49Å; N292-Y473 HydrophobicContact CB-CE2 3.86Å; Q306-Y473 VanDerWaalsContact OE1-N 3.11Å; A310-Y473 HydrophobicContact CB-CD1 3.31Å; A310-Y473 HydrophobicContact CB-CD2 3.6Å; A310-Y473 HydrophobicContact CB-CE1 3.72Å; A310-Y473 HydrophobicContact CB-CE2 3.99Å; A310-Y473 HydrophobicContact CB-CG 3.27Å; C320-Y473 WeakPolarHBondContact O-CE1 3.47Å; C320-Y473 PolarHBondContact O-OH 3.34Å; C320-Y473 VanDerWaalsContact O-OH 3.08Å; G322-Y473 VanDerWaalsContact CA-OH 3.24Å; G322-Y473 WeakPolarHBondContact CA-OH 3.28Å; G322-Y473 PolarHBondContact N-OH 2.99Å; A447-Y473 HydrophobicContact CB-CD2 3.27Å; A447-Y473 HydrophobicContact CB-CE2 3.32Å; A447-Y473 HydrophobicContact CB-CG 4.44Å; W469-Y473 AromaticContact CE3-CD1 3.8Å; W469-Y473 HydrophobicContact CE3-CD1 3.8Å; W469-Y473 HydrophobicContact CE3-CD2 4.05Å; W469-Y473 AromaticContact CE3-CE1 3.86Å; W469-Y473 HydrophobicContact CE3-CE1 3.86Å; W469-Y473 HydrophobicContact CE3-CE2 4.09Å; W469-Y473 AromaticContact CE3-CG 3.88Å; W469-Y473 HydrophobicContact CE3-CG 3.88Å; W469-Y473 AromaticContact CE3-CZ 3.98Å; W469-Y473 HydrophobicContact CH2-CD1 4.37Å; W469-Y473 HydrophobicContact CH2-CE1 4.29Å; W469-Y473 AromaticContact CZ3-CD1 3.54Å; W469-Y473 HydrophobicContact CZ3-CD1 3.54Å; W469-Y473 HydrophobicContact CZ3-CD2 4.5Å; W469-Y473 AromaticContact CZ3-CE1 3.33Å; W469-Y473 HydrophobicContact CZ3-CE1 3.33Å; W469-Y473 HydrophobicContact CZ3-CE2 4.33Å; W469-Y473 HydrophobicContact CZ3-CG 4.12Å; W469-Y473 AromaticContact CZ3-CZ 3.74Å; Y473-V475 PolarHBondContact O-N 3.23Å; Y473-V475 VanDerWaalsContact O-N 3.11Å
474	D	97.2	Very high	98.4	Very high	16 Å²	16	37.5 Å²	37.5	9%	0.086	22%	0.22	C	C	.	.	S	Bend	trans	53.6	32.6	177.2	-79.3	-2.5	0	0	0	113.2	F309 C320 W469 F476	F309-D474 HydrophobicContact CD1-CB 4.45Å; F309-D474 HydrophobicContact CE1-CB 3.71Å; F309-D474 HydrophobicContact CZ-CB 4.48Å; C320-D474 PolarHBondContact SG-OD1 3.22Å; W469-D474 WeakPolarHBondContact CH2-OD1 3.35Å; D474-F476 HydrophobicContact CB-CD2 4.47Å; D474-F476 HydrophobicContact CB-CE2 4.01Å; D474-F476 VanDerWaalsContact O-CD2 3.26Å; D474-F476 WeakPolarHBondContact O-CD2 3.34Å; D474-F476 PolarHBondContact O-N 3.12Å
475	V	98.3	Very high	98.4	Very high	80 Å²	80	38.7 Å²	38.7	49%	0.485	22%	0.222	S	C	.	.			trans	-86.1	93.4	174.1	-176.8	0	0	0	0	108.6	W469 C472 Y473	W469-V475 PolarHBondContact NE1-O 2.99Å; W469-V475 VanDerWaalsContact NE1-O 3.13Å; C472-V475 HydrophobicContact CB-CG2 3.74Å; Y473-V475 PolarHBondContact O-N 3.23Å; Y473-V475 VanDerWaalsContact O-N 3.11Å
476	F	97.6	Very high	98.4	Very high	56 Å²	56	42.3 Å²	42.3	25%	0.246	24%	0.235	C	C	.	.			trans	-94.8	140.9	174.6	-66.3	-88.1	0	0	0	111.2	M141 W194 C320 W469 D474 F482	M141-F476 HydrophobicContact CE-CB 3.47Å; M141-F476 VanDerWaalsContact CE-CB 3.47Å; M141-F476 HydrophobicContact CE-CD2 4.34Å; M141-F476 HydrophobicContact CE-CG 4.07Å; W194-F476 AromaticContact CH2-CD1 3.89Å; W194-F476 HydrophobicContact CH2-CD1 3.89Å; W194-F476 AromaticContact CH2-CE1 3.88Å; W194-F476 HydrophobicContact CH2-CE1 3.88Å; W194-F476 AromaticContact CZ2-CD1 3.99Å; W194-F476 HydrophobicContact CZ2-CD1 3.99Å; W194-F476 HydrophobicContact CZ2-CE1 4.37Å; C320-F476 VanDerWaalsContact SG-CZ 3.56Å; W469-F476 HydrophobicContact CH2-CE2 4.42Å; W469-F476 HydrophobicContact CH2-CZ 4.23Å; W469-F476 HydrophobicContact CZ2-CE2 4.27Å; W469-F476 HydrophobicContact CZ2-CZ 4.19Å; D474-F476 HydrophobicContact CB-CD2 4.47Å; D474-F476 HydrophobicContact CB-CE2 4.01Å; D474-F476 VanDerWaalsContact O-CD2 3.26Å; D474-F476 WeakPolarHBondContact O-CD2 3.34Å; D474-F476 PolarHBondContact O-N 3.12Å; F476-F482 HydrophobicContact CD1-CD2 4.24Å; F476-F482 HydrophobicContact CE1-CD1 4.45Å; F476-F482 AromaticContact CE1-CD2 3.48Å; F476-F482 HydrophobicContact CE1-CD2 3.48Å; F476-F482 VanDerWaalsContact CE1-CD2 3.48Å; F476-F482 HydrophobicContact CE1-CE1 4.46Å; F476-F482 AromaticContact CE1-CE2 3.51Å; F476-F482 HydrophobicContact CE1-CE2 3.51Å; F476-F482 AromaticContact CE1-CG 3.95Å; F476-F482 HydrophobicContact CE1-CG 3.95Å; F476-F482 HydrophobicContact CE1-CZ 4.01Å; F476-F482 HydrophobicContact CZ-CD2 4.35Å; F476-F482 AromaticContact CZ-CE2 3.95Å; F476-F482 HydrophobicContact CZ-CE2 3.95Å; F476-F482 HydrophobicContact CZ-CZ 4.3Å
477	G	95.7	Very high	98.4	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	24%	0.239	C	C	.	.			trans	-138.5	137.9	168.2	0	0	0	0	0	108.8	Q479 S480	G477-Q479 PolarHBondContact O-N 3.23Å; G477-S480 PolarHBondContact O-N 2.92Å
478	A	98.4	Very high	98.4	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.2	179.7	0	0	0	0	0	112.9	C145 Y148 G495	C145-A478 HydrophobicContact CB-CB 4.5Å; Y148-A478 HydrophobicContact CD1-CB 3.93Å; Y148-A478 WeakPolarHBondContact CD1-O 3.33Å; Y148-A478 HydrophobicContact CD2-CB 4.34Å; Y148-A478 WeakPolarHBondContact CE1-O 3.41Å; Y148-A478 HydrophobicContact CG-CB 3.71Å; A478-G495 WeakPolarHBondContact O-CA 3.29Å; A478-G495 PolarHBondContact O-N 3.34Å
479	Q	98.5	Very high	98.3	Very high	124 Å²	124	41.4 Å²	41.4	58%	0.579	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-27.4	178.8	-49.2	81.6	-4	0	0	113.5	Y148 G477 G495	Y148-Q479 HydrophobicContact CD2-CG 3.92Å; Y148-Q479 HydrophobicContact CE2-CB 3.99Å; Y148-Q479 HydrophobicContact CE2-CG 3.68Å; G477-Q479 PolarHBondContact O-N 3.23Å; Q479-G495 WeakPolarHBondContact O-CA 3.45Å
480	S	98.5	Very high	98.3	Very high	73 Å²	73	43 Å²	43	51%	0.51	24%	0.238	S	C	.	.	S	Bend	trans	-97.7	132	-175	-61.3	0	0	0	0	109.8	G477 L494	G477-S480 PolarHBondContact O-N 2.92Å; S480-L494 WeakPolarHBondContact O-CB 3.33Å
481	P	98.7	Very high	98.3	Very high	47 Å²	47	42 Å²	42	31%	0.305	24%	0.239	S	C	.	.			trans	-66.5	147.3	178.3	30.2	-35.8	0	0	0	111	R492 E493 Y497	P481-R492 HydrophobicContact CB-CB 4.18Å; P481-R492 HydrophobicContact CB-CG 4.38Å; P481-E493 CarbonylContact C-O 3.58Å; P481-E493 WeakPolarHBondContact CA-O 3.49Å; P481-Y497 HydrophobicContact CB-CD2 3.76Å; P481-Y497 HydrophobicContact CB-CG 4.13Å; P481-Y497 HydrophobicContact CG-CD2 3.67Å; P481-Y497 HydrophobicContact CG-CE2 3.99Å; P481-Y497 HydrophobicContact CG-CG 4.4Å
482	F	98.9	Very high	98.3	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.031	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-128.9	142.1	172.1	-178.3	-96.8	0	0	0	109.6	W194 C320 L444 F476 R492 E493 L494	W194-F482 HydrophobicContact CH2-CB 4.26Å; W194-F482 AromaticContact CH2-CD1 3.9Å; W194-F482 HydrophobicContact CH2-CD1 3.9Å; W194-F482 HydrophobicContact CH2-CE1 4.48Å; W194-F482 HydrophobicContact CH2-CG 4.15Å; W194-F482 HydrophobicContact CZ3-CB 4.35Å; W194-F482 AromaticContact CZ3-CD1 3.68Å; W194-F482 HydrophobicContact CZ3-CD1 3.68Å; W194-F482 HydrophobicContact CZ3-CE1 4.33Å; W194-F482 HydrophobicContact CZ3-CG 4.28Å; C320-F482 HydrophobicContact CB-CE2 4.29Å; C320-F482 HydrophobicContact CB-CZ 4.09Å; L444-F482 HydrophobicContact CD1-CE1 3.77Å; L444-F482 HydrophobicContact CD1-CE2 4.45Å; L444-F482 HydrophobicContact CD1-CZ 3.69Å; L444-F482 HydrophobicContact CD2-CE1 4.26Å; L444-F482 HydrophobicContact CD2-CZ 3.83Å; L444-F482 HydrophobicContact CG-CE1 4.23Å; L444-F482 HydrophobicContact CG-CE2 4.39Å; L444-F482 HydrophobicContact CG-CZ 3.67Å; F476-F482 HydrophobicContact CD1-CD2 4.24Å; F476-F482 HydrophobicContact CE1-CD1 4.45Å; F476-F482 AromaticContact CE1-CD2 3.48Å; F476-F482 HydrophobicContact CE1-CD2 3.48Å; F476-F482 VanDerWaalsContact CE1-CD2 3.48Å; F476-F482 HydrophobicContact CE1-CE1 4.46Å; F476-F482 AromaticContact CE1-CE2 3.51Å; F476-F482 HydrophobicContact CE1-CE2 3.51Å; F476-F482 AromaticContact CE1-CG 3.95Å; F476-F482 HydrophobicContact CE1-CG 3.95Å; F476-F482 HydrophobicContact CE1-CZ 4.01Å; F476-F482 HydrophobicContact CZ-CD2 4.35Å; F476-F482 AromaticContact CZ-CE2 3.95Å; F476-F482 HydrophobicContact CZ-CE2 3.95Å; F476-F482 HydrophobicContact CZ-CZ 4.3Å; F482-R492 CarbonylContact O-C 3.54Å; F482-R492 WeakPolarHBondContact O-CA 3.28Å; F482-R492 WeakPolarHBondContact O-CD 3.44Å; F482-E493 PolarHBondContact N-O 3.03Å; F482-E493 PolarHBondContact O-N 3.18Å; F482-L494 HydrophobicContact CB-CD1 4.43Å
483	G	98.4	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.			trans	156.3	160.7	169.1	0	0	0	0	0	114.7	E285 G466 R492	E285-G483 WeakPolarHBondContact OE1-CA 3.22Å; E285-G483 WeakPolarHBondContact OE2-CA 3.07Å; G466-G483 WeakPolarHBondContact CA-O 3.29Å; G483-R492 PolarHBondContact O-NE 3.02Å; G483-R492 PolarHBondContact O-NH1 2.82Å; G483-R492 PolarHBondContact O-NH2 3.3Å
484	G	98.1	Very high	98.3	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.031	23%	0.23	C	C	.	.			trans	-76.8	153.3	-164.2	0	0	0	0	0	117.1	R492	G484-R492 PolarHBondContact O-NH1 2.84Å; G484-R492 PolarHBondContact O-NH2 2.99Å
485	Y	98.4	Very high	98.4	Very high	115 Å²	115	40.8 Å²	40.8	45%	0.451	23%	0.226	S	C	.	.	S	Bend	trans	-84.9	165.5	152.2	-88.3	-126.3	0	0	0	110.2	G443 Q464 M487 S488	G443-Y485 WeakPolarHBondContact O-CB 3.18Å; G443-Y485 PolarHBondContact O-N 3.46Å; Q464-Y485 HydrophobicContact CB-CD1 4.47Å; Y485-M487 PolarHBondContact O-N 3.05Å; Y485-S488 WeakPolarHBondContact O-CB 3.29Å; Y485-S488 PolarHBondContact O-N 3.39Å
486	K	98.6	Very high	98.4	Very high	87 Å²	87	41.6 Å²	41.6	38%	0.378	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	52.8	-123.8	170.9	-58.1	171.6	179	171.8	0	111.8	N438 S440 T441	N438-K486 PolarHBondContact O-NZ 3.33Å; S440-K486 WeakPolarHBondContact O-CD 3.49Å; S440-K486 PolarHBondContact O-NZ 3.44Å; T441-K486 WeakPolarHBondContact O-CB 3.41Å
487	M	98.8	Very high	98.5	Very high	60 Å²	60	45 Å²	45	30%	0.296	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-89.7	1.4	-179.7	-66.4	-174.7	62	0	0	114	T264 R268 L286 T441 Y485 G489	T264-M487 HydrophobicContact CG2-CB 4.11Å; T264-M487 HydrophobicContact CG2-CE 3.6Å; T264-M487 WeakPolarHBondContact CG2-O 3.46Å; R268-M487 VanDerWaalsContact CZ-CE 3.43Å; L286-M487 WeakPolarHBondContact CD1-O 3.41Å; T441-M487 HydrophobicContact CG2-SD 4.33Å; T441-M487 WeakPolarHBondContact O-CB 3.35Å; T441-M487 PolarHBondContact O-N 3.47Å; Y485-M487 PolarHBondContact O-N 3.05Å; M487-G489 PolarHBondContact O-N 3.03Å
488	S	98.7	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-80.6	-1.9	175.1	-72.6	0	0	0	0	113.3	L286 G287 Y442 G443 L444 Y485	L286-S488 WeakPolarHBondContact CA-O 3.49Å; L286-S488 WeakPolarHBondContact CB-O 3.37Å; L286-S488 PolarHBondContact N-O 2.98Å; G287-S488 WeakPolarHBondContact O-CB 3.49Å; G287-S488 PolarHBondContact O-OG 3.07Å; Y442-S488 WeakPolarHBondContact CA-OG 3.35Å; Y442-S488 WeakPolarHBondContact CB-OG 3.38Å; Y442-S488 WeakPolarHBondContact CD1-OG 3.48Å; G443-S488 PolarHBondContact N-OG 3.28Å; L444-S488 PolarHBondContact N-OG 2.85Å; Y485-S488 WeakPolarHBondContact O-CB 3.29Å; Y485-S488 PolarHBondContact O-N 3.39Å
489	G	98.7	Very high	98.7	Very high	10 Å²	10	43.5 Å²	43.5	10%	0.103	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.4	177.2	174.7	0	0	0	0	0	114.2	L284 M487	L284-G489 CarbonylContact O-C 3.5Å; L284-G489 WeakPolarHBondContact O-CA 3.35Å; M487-G489 PolarHBondContact O-N 3.03Å
490	S	98.7	Very high	98.7	Very high	48 Å²	48	42.7 Å²	42.7	34%	0.336	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	132	173.6	61.5	0	0	0	0	110.2	T283 L284	T283-S490 WeakPolarHBondContact CA-O 3.41Å; L284-S490 PolarHBondContact N-O 2.8Å; L284-S490 PolarHBondContact O-N 3.02Å
491	G	98.5	Very high	98.7	Very high	36 Å²	36	40.3 Å²	40.3	37%	0.371	20%	0.203	S	C	.	.	S	Bend	trans	91.9	-176.3	-165.6	0	0	0	0	0	112.2
492	R	98.8	Very high	98.7	Very high	68 Å²	68	38.3 Å²	38.3	26%	0.257	19%	0.189	S	C	.	.			trans	-138.6	145.2	174.5	-66.5	-65	179.7	-93.8	5.8	109	P481 F482 G483 G484	P481-R492 HydrophobicContact CB-CB 4.18Å; P481-R492 HydrophobicContact CB-CG 4.38Å; F482-R492 CarbonylContact O-C 3.54Å; F482-R492 WeakPolarHBondContact O-CA 3.28Å; F482-R492 WeakPolarHBondContact O-CD 3.44Å; G483-R492 PolarHBondContact O-NE 3.02Å; G483-R492 PolarHBondContact O-NH1 2.82Å; G483-R492 PolarHBondContact O-NH2 3.3Å; G484-R492 PolarHBondContact O-NH1 2.84Å; G484-R492 PolarHBondContact O-NH2 2.99Å
493	E	98.9	Very high	98.7	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.037	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-105.8	171.3	165.2	-59.5	-162.2	135.4	0	0	110.1	W194 K195 E285 P481 F482	W194-E493 HydrophobicContact CE3-CB 4.22Å; K195-E493 VanDerWaalsContact CD-OE1 3.25Å; K195-E493 WeakPolarHBondContact CD-OE1 3.28Å; K195-E493 WeakPolarHBondContact CE-OE1 3.43Å; K195-E493 IonicContact NZ-OE1 2.87Å; K195-E493 PolarHBondContact NZ-OE1 2.77Å; K195-E493 IonicContact NZ-OE2 3.56Å; K195-E493 PolarHBondContact NZ-OE2 3.25Å; E285-E493 HydrophobicContact CG-CG 4.01Å; P481-E493 CarbonylContact C-O 3.58Å; P481-E493 WeakPolarHBondContact CA-O 3.49Å; F482-E493 PolarHBondContact N-O 3.03Å; F482-E493 PolarHBondContact O-N 3.18Å
494	L	98.7	Very high	98.7	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.207	C	C	.	.	S	Bend	trans	60.5	175.8	-172.2	-55	-175.9	0	0	0	114.1	Y149 W194 S480 F482 G498	Y149-L494 HydrophobicContact CE2-CD2 4.32Å; Y149-L494 WeakPolarHBondContact OH-CA 3.39Å; Y149-L494 PolarHBondContact OH-N 2.83Å; Y149-L494 PolarHBondContact OH-O 3.44Å; W194-L494 HydrophobicContact CD2-CD1 4.35Å; W194-L494 HydrophobicContact CD2-CD2 3.86Å; W194-L494 HydrophobicContact CD2-CG 4.07Å; W194-L494 HydrophobicContact CE3-CG 4.31Å; W194-L494 HydrophobicContact CG-CD2 3.92Å; W194-L494 HydrophobicContact CH2-CD1 3.86Å; W194-L494 HydrophobicContact CH2-CG 4.39Å; W194-L494 HydrophobicContact CZ2-CD1 3.52Å; W194-L494 HydrophobicContact CZ2-CD2 4.44Å; W194-L494 HydrophobicContact CZ2-CG 4.17Å; W194-L494 HydrophobicContact CZ3-CD1 4.4Å; W194-L494 HydrophobicContact CZ3-CG 4.46Å; S480-L494 WeakPolarHBondContact O-CB 3.33Å; F482-L494 HydrophobicContact CB-CD1 4.43Å; L494-G498 WeakPolarHBondContact O-CA 3.46Å; L494-G498 PolarHBondContact O-N 2.96Å
495	G	98.6	Very high	98.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-167.5	179.4	0	0	0	0	0	114	Y148 Y149 A478 Q479 Y497	Y148-G495 VanDerWaalsContact OH-CA 3.29Å; Y148-G495 WeakPolarHBondContact OH-CA 3.32Å; Y149-G495 PolarHBondContact OH-O 2.91Å; A478-G495 WeakPolarHBondContact O-CA 3.29Å; A478-G495 PolarHBondContact O-N 3.34Å; Q479-G495 WeakPolarHBondContact O-CA 3.45Å; G495-Y497 VanDerWaalsContact C-N 3.29Å
496	E	98.9	Very high	98.8	Very high	96 Å²	96	44.3 Å²	44.3	45%	0.449	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.8	168.7	-176	177.9	162.8	0	0	111.1	Y148 W152 Y156 G498 L499	Y148-E496 PolarHBondContact OH-N 3.02Å; W152-E496 HydrophobicContact CH2-CB 3.85Å; W152-E496 HydrophobicContact CH2-CG 3.62Å; W152-E496 WeakPolarHBondContact CH2-OE2 3.35Å; W152-E496 HydrophobicContact CZ2-CB 3.78Å; W152-E496 HydrophobicContact CZ2-CG 4.07Å; W152-E496 HydrophobicContact CZ3-CG 4.02Å; Y156-E496 HydrophobicContact CD2-CG 4.32Å; Y156-E496 HydrophobicContact CE2-CG 3.99Å; E496-G498 PolarHBondContact O-N 3.25Å; E496-L499 HydrophobicContact CG-CD1 4.43Å; E496-L499 VanDerWaalsContact O-CB 3.28Å; E496-L499 WeakPolarHBondContact O-CB 3.43Å; E496-L499 WeakPolarHBondContact O-CG 3.42Å; E496-L499 PolarHBondContact O-N 3.02Å
497	Y	98.8	Very high	98.8	Very high	127 Å²	127	44.3 Å²	44.3	50%	0.498	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-57.5	-36.1	-179.6	-62.5	-90.2	0	0	0	112.9	P481 G495 L499 Q500	P481-Y497 HydrophobicContact CB-CD2 3.76Å; P481-Y497 HydrophobicContact CB-CG 4.13Å; P481-Y497 HydrophobicContact CG-CD2 3.67Å; P481-Y497 HydrophobicContact CG-CE2 3.99Å; P481-Y497 HydrophobicContact CG-CG 4.4Å; G495-Y497 VanDerWaalsContact C-N 3.29Å; Y497-L499 PolarHBondContact O-N 3.23Å; Y497-L499 VanDerWaalsContact O-N 3.1Å; Y497-Q500 VanDerWaalsContact O-CB 3.31Å; Y497-Q500 WeakPolarHBondContact O-CB 3.21Å; Y497-Q500 WeakPolarHBondContact O-CG 3.37Å; Y497-Q500 PolarHBondContact O-N 3.48Å
498	G	98.7	Very high	98.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-60.2	-18.9	176.9	0	0	0	0	0	113.9	L494 E496 Y502	L494-G498 WeakPolarHBondContact O-CA 3.46Å; L494-G498 PolarHBondContact O-N 2.96Å; E496-G498 PolarHBondContact O-N 3.25Å; G498-Y502 VanDerWaalsContact O-CD2 3.24Å; G498-Y502 WeakPolarHBondContact O-CD2 3.39Å
499	L	98.9	Very high	98.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-78.2	-25.7	176.8	-55.1	172.4	0	0	0	112.8	Y149 W152 Y156 P198 T202 E496 Y497 A501 Y502 T503	Y149-L499 HydrophobicContact CD1-CD2 3.74Å; Y149-L499 HydrophobicContact CE1-CD2 3.61Å; Y149-L499 HydrophobicContact CE1-CG 4.17Å; W152-L499 HydrophobicContact CB-CD1 3.96Å; W152-L499 HydrophobicContact CB-CD2 4.22Å; W152-L499 HydrophobicContact CD2-CD1 3.64Å; W152-L499 HydrophobicContact CE3-CD1 3.57Å; W152-L499 HydrophobicContact CG-CD1 3.83Å; W152-L499 HydrophobicContact CZ3-CD1 4.28Å; Y156-L499 HydrophobicContact CD1-CB 4.24Å; Y156-L499 HydrophobicContact CD2-CB 4.13Å; Y156-L499 HydrophobicContact CD2-CD1 3.52Å; Y156-L499 HydrophobicContact CD2-CG 4.49Å; Y156-L499 HydrophobicContact CE1-CB 4.19Å; Y156-L499 HydrophobicContact CE2-CB 4.1Å; Y156-L499 HydrophobicContact CE2-CD1 4.12Å; Y156-L499 HydrophobicContact CG-CB 4.21Å; Y156-L499 HydrophobicContact CG-CD1 3.85Å; P198-L499 HydrophobicContact CB-CD2 4.24Å; T202-L499 HydrophobicContact CG2-CB 4.21Å; T202-L499 HydrophobicContact CG2-CD2 3.86Å; E496-L499 HydrophobicContact CG-CD1 4.43Å; E496-L499 VanDerWaalsContact O-CB 3.28Å; E496-L499 WeakPolarHBondContact O-CB 3.43Å; E496-L499 WeakPolarHBondContact O-CG 3.42Å; E496-L499 PolarHBondContact O-N 3.02Å; Y497-L499 PolarHBondContact O-N 3.23Å; Y497-L499 VanDerWaalsContact O-N 3.1Å; L499-A501 PolarHBondContact O-N 2.89Å; L499-Y502 PolarHBondContact O-N 3.43Å; L499-Y502 VanDerWaalsContact O-N 3.12Å; L499-T503 PolarHBondContact O-N 3.47Å; L499-T503 PolarHBondContact O-OG1 3.02Å
500	Q	98.9	Very high	98.8	Very high	106 Å²	106	49.5 Å²	49.5	50%	0.495	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.9	-48.6	-172.9	-66.9	175.2	-1.9	0	0	111.4	Y156 Y497 Y502 T503	Y156-Q500 VanDerWaalsContact OH-CG 3.32Å; Y156-Q500 WeakPolarHBondContact OH-CG 3.24Å; Y497-Q500 VanDerWaalsContact O-CB 3.31Å; Y497-Q500 WeakPolarHBondContact O-CB 3.21Å; Y497-Q500 WeakPolarHBondContact O-CG 3.37Å; Y497-Q500 PolarHBondContact O-N 3.48Å; Q500-Y502 PolarHBondContact O-N 3.33Å; Q500-Y502 VanDerWaalsContact O-N 3.14Å; Q500-T503 PolarHBondContact O-N 3.26Å; Q500-T503 VanDerWaalsContact O-N 3.14Å
501	A	98.8	Very high	98.8	Very high	24 Å²	24	55.4 Å²	55.4	20%	0.198	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.6	-16.6	-177.9	0	0	0	0	0	113.1	K257 T283 L499	K257-A501 WeakPolarHBondContact CD-O 3.48Å; K257-A501 WeakPolarHBondContact CE-O 3.17Å; T283-A501 HydrophobicContact CG2-CB 3.59Å; L499-A501 PolarHBondContact O-N 2.89Å
502	Y	98.9	Very high	98.8	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.016	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-102.4	9.3	-180	-68.3	-76.3	0	0	0	113.1	V176 C179 Q181 P198 A199 T202 N204 K257 A259 G498 L499 Q500	V176-Y502 PolarHBondContact N-O 2.94Å; C179-Y502 HydrophobicContact CB-CE1 4.31Å; Q181-Y502 PolarHBondContact NE2-OH 2.89Å; P198-Y502 HydrophobicContact CB-CD2 3.8Å; P198-Y502 HydrophobicContact CB-CE2 3.98Å; P198-Y502 HydrophobicContact CG-CD2 4.08Å; P198-Y502 HydrophobicContact CG-CE2 3.71Å; A199-Y502 HydrophobicContact CB-CD1 3.72Å; A199-Y502 HydrophobicContact CB-CE1 3.66Å; A199-Y502 HydrophobicContact CB-CG 4.35Å; T202-Y502 WeakPolarHBondContact OG1-CB 3.46Å; N204-Y502 PolarHBondContact ND2-O 3.03Å; K257-Y502 HydrophobicContact CD-CD1 4.1Å; K257-Y502 HydrophobicContact CD-CE1 4.18Å; A259-Y502 WeakPolarHBondContact CB-OH 3.4Å; G498-Y502 VanDerWaalsContact O-CD2 3.24Å; G498-Y502 WeakPolarHBondContact O-CD2 3.39Å; L499-Y502 PolarHBondContact O-N 3.43Å; L499-Y502 VanDerWaalsContact O-N 3.12Å; Q500-Y502 PolarHBondContact O-N 3.33Å; Q500-Y502 VanDerWaalsContact O-N 3.14Å
503	T	98.9	Very high	98.8	Very high	16 Å²	16	58.6 Å²	58.6	10%	0.098	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134	-178.7	-60.7	0	0	0	0	111	Y156 H173 E174 L499 Q500	Y156-T503 HydrophobicContact CD1-CG2 4.46Å; Y156-T503 HydrophobicContact CE1-CG2 4.09Å; Y156-T503 WeakPolarHBondContact CE1-OG1 3.36Å; H173-T503 HydrophobicContact CB-CG2 3.45Å; H173-T503 VanDerWaalsContact CB-CG2 3.45Å; E174-T503 CarbonylContact O-C 3.58Å; E174-T503 WeakPolarHBondContact O-CA 3.42Å; L499-T503 PolarHBondContact O-N 3.47Å; L499-T503 PolarHBondContact O-OG1 3.02Å; Q500-T503 PolarHBondContact O-N 3.26Å; Q500-T503 VanDerWaalsContact O-N 3.14Å
504	E	98.9	Very high	98.7	Very high	63 Å²	63	64.7 Å²	64.7	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.2	167.2	-163.7	60.6	-144.6	0	0	110.2	E174 R281	E174-E504 PolarHBondContact N-O 3.43Å; E174-E504 PolarHBondContact O-N 3.29Å; R281-E504 IonicContact CZ-OE1 2.69Å; R281-E504 IonicContact CZ-OE2 2.63Å; R281-E504 IonicContact NE-OE1 2.82Å; R281-E504 IonicContact NE-OE2 2.62Å; R281-E504 PolarHBondContact NE-OE2 3.16Å; R281-E504 IonicContact NH1-OE2 3.95Å; R281-E504 IonicContact NH2-OE1 3.38Å; R281-E504 PolarHBondContact NH2-OE1 3.11Å; R281-E504 IonicContact NH2-OE2 2.64Å; R281-E504 PolarHBondContact NH2-OE2 3.26Å
505	V	98.8	Very high	98.7	Very high	81 Å²	81	68.7 Å²	68.7	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.6	-177.9	-177.8	0	0	0	0	109.8	T171	T171-V505 HydrophobicContact CG2-CG1 4.02Å
506	K	98.8	Very high	98.6	Very high	92 Å²	92	74.7 Å²	74.7	40%	0.4	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.5	173.2	-178.9	-177.6	-64.6	164.1	0	110.4	T171 R172 E174 I508	T171-K506 CarbonylContact C-O 3.52Å; T171-K506 VanDerWaalsContact CA-O 3.31Å; T171-K506 WeakPolarHBondContact CA-O 3.29Å; R172-K506 HydrophobicContact CB-CB 4.39Å; R172-K506 PolarHBondContact N-O 2.98Å; R172-K506 PolarHBondContact O-N 3.35Å; E174-K506 IonicContact OE1-NZ 2.84Å; E174-K506 PolarHBondContact OE1-NZ 2.85Å; E174-K506 WeakPolarHBondContact OE2-CE 3.33Å; E174-K506 IonicContact OE2-NZ 2.71Å; E174-K506 PolarHBondContact OE2-NZ 3.46Å; K506-I508 HydrophobicContact CG-CG1 4.39Å
507	T	98.9	Very high	98.4	Very high	87 Å²	87	79.4 Å²	79.4	53%	0.534	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132	170.8	-58	0	0	0	0	110.1
508	I	98.9	Very high	98.4	Very high	44 Å²	44	77 Å²	77	23%	0.226	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.1	172.3	-61.3	174.1	0	0	0	107.4	S169 Y170 R172 K506 V510	S169-I508 WeakPolarHBondContact CA-O 3.37Å; Y170-I508 HydrophobicContact CD1-CB 4.25Å; Y170-I508 HydrophobicContact CD1-CG2 4.45Å; Y170-I508 HydrophobicContact CE1-CB 3.78Å; Y170-I508 HydrophobicContact CE1-CG2 3.63Å; Y170-I508 HydrophobicContact CE2-CB 4.11Å; Y170-I508 HydrophobicContact CE2-CD1 3.7Å; Y170-I508 HydrophobicContact CE2-CG1 4.36Å; Y170-I508 PolarHBondContact N-O 3.21Å; Y170-I508 PolarHBondContact O-N 3.26Å; Y170-I508 WeakPolarHBondContact OH-CD1 3.36Å; R172-I508 HydrophobicContact CG-CD1 4.11Å; K506-I508 HydrophobicContact CG-CG1 4.39Å; I508-V510 HydrophobicContact CG2-CG2 3.95Å
509	T	98.7	Very high	98.4	Very high	69 Å²	69	81 Å²	81	42%	0.423	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117	178	-61.8	0	0	0	0	108.7	F167 S169	F167-T509 HydrophobicContact CB-CG2 3.75Å; F167-T509 HydrophobicContact CD1-CG2 3.9Å; F167-T509 HydrophobicContact CG-CG2 3.99Å; S169-T509 PolarHBondContact OG-OG1 2.88Å; S169-T509 VanDerWaalsContact OG-OG1 3.11Å
510	V	98.8	Very high	98.4	Very high	66 Å²	66	85.4 Å²	85.4	40%	0.4	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.7	-177.2	-174.3	0	0	0	0	108.4	F167 F168 I508 V512	F167-V510 CarbonylContact C-O 3.55Å; F167-V510 VanDerWaalsContact CA-O 3.31Å; F167-V510 WeakPolarHBondContact CA-O 3.49Å; F168-V510 PolarHBondContact N-O 2.99Å; F168-V510 PolarHBondContact O-N 3.27Å; I508-V510 HydrophobicContact CG2-CG2 3.95Å; V510-V512 PolarHBondContact O-N 3.28Å
511	K	98.6	Very high	98.3	Very high	172 Å²	172	84.2 Å²	84.2	75%	0.748	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	128.3	169.1	-176	-172.4	176.6	-165.8	0	109	F167	F167-K511 HydrophobicContact CD1-CB 4.13Å; F167-K511 HydrophobicContact CE1-CB 4.01Å; F167-K511 HydrophobicContact CE1-CG 4.25Å
512	V	98.8	Very high	98.3	Very high	37 Å²	37	88 Å²	88	22%	0.224	49%	0.485	C	S	.	.			trans	-113.7	160.8	173.4	-63.9	0	0	0	0	110.3	D166 F168 V510 Q514 K515	D166-V512 VanDerWaalsContact C-CG2 3.44Å; D166-V512 HydrophobicContact CB-CG2 4.35Å; D166-V512 WeakPolarHBondContact O-CG2 3.24Å; D166-V512 PolarHBondContact O-N 2.98Å; F168-V512 HydrophobicContact CB-CG1 3.8Å; V510-V512 PolarHBondContact O-N 3.28Å; V512-Q514 VanDerWaalsContact C-N 3.35Å; V512-K515 HydrophobicContact CG2-CB 4.4Å
513	P	98.3	Very high	98.3	Very high	133 Å²	133	93.6 Å²	93.6	86%	0.864	52%	0.517	S	S	*	.	S	Bend	trans	-61.6	-41.9	177.7	-25.6	35.7	0	0	0	113.2
514	Q	98.1	Very high	98.2	Very high	137 Å²	137	99.1 Å²	99.1	64%	0.64	55%	0.547	S	S	*	.			trans	-159.8	124.1	179	-174.6	178.4	57.4	0	0	109.3	D166 V512	D166-Q514 WeakPolarHBondContact OD1-CA 3.39Å; V512-Q514 VanDerWaalsContact C-N 3.35Å
515	K	98	Very high	98.2	Very high	86 Å²	86	101.9 Å²	101.9	37%	0.374	57%	0.566	S	S	.	*			trans	-78.1	139.4	174.6	180	-167.2	65.2	177.9	0	110.1	I163 G165 D166 V512	I163-K515 PolarHBondContact O-NZ 3.28Å; G165-K515 WeakPolarHBondContact O-CD 3.4Å; G165-K515 WeakPolarHBondContact O-CE 3.46Å; D166-K515 PolarHBondContact OD1-N 3.29Å; V512-K515 HydrophobicContact CG2-CB 4.4Å
516	N	97.1	Very high	98.1	Very high	127 Å²	127	103.7 Å²	103.7	68%	0.679	57%	0.572	S	S	*	*			trans	-130.5	153.9	171.2	-73.2	-90.6	0	0	0	109.9
517	S	94.6	Very high	98.1	Very high	194 Å²	194	104.7 Å²	104.7	100%	1.357	59%	0.588	S	S	*	*			trans	-80.8	0	-178.4	59.5	0	0	0	0	113.8

Retrieved 517 of 517 residues in 154.5 ms (Link to these results)

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